smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1C	97961092	RJZSVVUGFQKIMB-WJDWOHSUSA-N	576.454	3.902	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100870526	NMJATGQEJXRFGD-XLNRJJMWSA-N	535.695	3.567	10	40	KHCB	
CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	6074963	UIJLXTRHCSGIOY-PMERELPUSA-N	584.677	3.681	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	41084058	COBMIQVMICPZKN-COGBYSKYSA-N	512.613	3.854	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C	59929860	CYSKWTONSYOGGS-HHHXNRCGSA-N	537.682	3.641	10	40	KHCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(I)c1OCC(=O)O	97960532	KQQKEWODUBMJRU-MLPAPPSSSA-N	556.696	3.923	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c(Br)cc21	408537723	HAYMWBIXXZEYLO-VAWYXSNFSA-N	532.782	3.838	10	40	KHCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	408913441	UPRAIOQXINQBMW-FYJGNVAPSA-N	503.486	3.827	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409217993	CACZRRSAXQTZDH-LPYMAVHISA-N	544.520	3.986	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2OC)cc1	10113590	LSAKISCRVIFXDT-UHFFFAOYSA-N	509.628	3.816	10	40	KHCB	
CCN(c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1)S(=O)(=O)c1ccccc1	13585027	ATIHRBDIBIWHJH-UHFFFAOYSA-N	509.628	3.638	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1ccccc1	101394650	XVYKXLSVNSKTMM-FZMXLXIHSA-N	532.987	3.579	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c([N+](=O)[O-])cc(Br)c(C)c3C)C2=O)cc1	408535165	XUWCYOALMSTTRS-XNTDXEJSSA-N	503.309	3.952	10	40	KHCB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	409044134	AZDWCJKTXUMMOP-VZUCSPMQSA-N	514.115	3.886	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OC	15012483	QJMQBDLFOQFLSO-DHDCSXOGSA-N	506.296	3.673	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	100303476	ITWLCIRXQCZEDQ-FJWZAKCXSA-N	556.482	3.635	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	100648446	IKGLJHATQXEMBU-GDNBJRDFSA-N	547.417	3.946	10	40	KHCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C(=O)NC1=S	104881729	SUCZYKLYCQAVOU-GIJQJNRQSA-N	542.411	3.858	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408785389	WXGKHUIZCZNDHZ-ONUIUJJFSA-N	530.577	3.899	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC	408806396	MWQNCNWLVNTWNU-AWNIVKPZSA-N	512.687	3.628	10	40	KHCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O	409118268	PLNNHEZFQVITHS-LICLKQGHSA-N	500.349	3.733	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	6135892	JIKUCHRKFSWOHE-DEOSSOPVSA-N	528.638	3.595	10	40	KHCB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6135939	APUMUQHNLIJQSC-XMMPIXPASA-N	550.685	3.736	10	40	KHCB	
O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	100122459	LVGVLQOLESTRGK-GIRPNKPCSA-N	535.394	3.667	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	100860286	XFTWQPPSACJMKW-UYSKRRQASA-N	565.696	3.849	10	40	KHCB	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)/C=C/c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	105352979	GRZLSTHZFFOPCR-QLKAYGNNSA-N	630.727	3.929	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223146081	BVCKESPAXATLPL-FTJBHMTQSA-N	505.644	3.523	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223658302	RDICOPNTZCNLKC-RPWUZVMVSA-N	509.588	3.942	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cccs1	408768306	VVUMCWZATXYZSC-CVGPFBNFSA-N	511.669	3.715	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409384469	CMLKWIHMDXPDNW-RQZCQDPDSA-N	541.310	3.994	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cc(C)ccc4n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8426439	NUXLLOLITFSSKL-OCEWKHMESA-N	512.635	3.721	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100342413	SFEJQCSZAYJGLY-GDLZYMKVSA-N	551.651	3.686	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)cc(I)c3O)C(=O)NC2=S)c1	408740535	GTKHHPHURPUGCX-AUWJEWJLSA-N	573.206	3.989	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1	408821025	BOQHBSONWOXETH-WSDLNYQXSA-N	501.495	3.774	10	40	KHCB	
COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6135846	DCERGPCBQALRCP-VWLOTQADSA-N	580.711	3.744	10	40	KHCB	
COc1ccc([C@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1	19936179	LUYRYOMQJMMSDD-MHZLTWQESA-N	523.655	3.805	10	40	KHCB	
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414994	NAEAGECPLDSEMC-VJBWXMMDSA-N	514.921	3.994	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2F)OC32C(=O)c3ccccc3C2=O)cc1	101076092	KWJBPNILZMJZHI-DNVJHFABSA-N	513.477	3.698	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(=O)O)c1	223186777	OTXFZQPELFYXFY-FTJBHMTQSA-N	519.671	3.882	10	40	KHCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@H]2C(=O)O)SC1=S	256055822	VMAQVZSRVMHAFK-MSWATVTMSA-N	527.599	3.565	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1	408935333	CVSZBGOROIVDPC-XDHOZWIPSA-N	541.925	3.991	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C(=O)NC2=S)cc1	409384426	BJFZOOFMJZOVFV-XDHOZWIPSA-N	522.535	3.795	10	40	KHCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@@H](C)O1	100894498	VCVLUHHNFKQZQR-YMNHORQBSA-N	551.694	3.869	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409067579	FNRWTJNGKLQYKU-WOJGMQOQSA-N	649.375	3.642	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)O	409398417	ANNWMLWWSLASKP-AAIQCTMTSA-N	540.164	3.534	10	40	KHCB	
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccccc2)CC1	1554503124	GXUUMKUXPDWWEX-GYHWCHFESA-N	532.691	3.899	10	40	KHCB	
CC(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	41077749	MCKQOZIHUHTOLW-OEMPCWLZSA-N	512.613	3.889	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	97947738	ZYZGHMUUPSUHRD-PYCFMQQDSA-N	553.685	3.788	10	40	KHCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	103766333	USROMDVMJMASOV-UHFFFAOYSA-N	535.553	3.790	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1O	409345228	KJOVQRQYWNYYLQ-KPKJPENVSA-N	518.379	3.613	10	40	KHCB	
Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1	887712	VAYROCTTYMDJLV-LEAFIULHSA-N	557.655	3.686	10	40	KHCB	
O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	6475231	YSWNJOQZFBLOPQ-QPQHGXMVSA-N	605.699	3.886	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(Cl)c3)C(=O)N=C2S1	97964786	UAHJPNVFHQFPDO-UNWMVYMNSA-N	520.951	3.710	10	40	KHCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	100842988	UGTPJIAUMRMSIR-MOSHPQCFSA-N	526.087	3.810	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1O	408887914	SBXDBAFTCXKXIT-AWNIVKPZSA-N	512.687	3.715	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408955814	URQGVWSTENDANI-GIJQJNRQSA-N	641.374	3.712	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409067849	QEXGWLREPBKZJM-FYJGNVAPSA-N	502.479	3.735	10	40	KHCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O	409099958	SCRFQGGQRGVJJD-LICLKQGHSA-N	516.417	3.898	10	40	KHCB	
O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	113946887	AORZPKIZZUGHJK-UHFFFAOYSA-N	526.486	3.688	10	40	KHCB	
Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc([N+](=O)[O-])cc1	8777665	NGVARQPQRDVTNS-IWIPYMOSSA-N	522.583	3.540	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCSCC3)nc12	100841988	LFKSKSNMLRLHDR-NDENLUEZSA-N	538.676	3.686	10	40	KHCB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	150387014	LDJHNKNGRIMYCT-JGCGQSQUSA-N	710.831	3.640	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccco1	408534618	MLEFWDSRRXJTSM-LFIBNONCSA-N	558.284	3.778	10	40	KHCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(I)o2)C1=O	408949723	BVWIOXAJPGRTDB-UXBLZVDNSA-N	501.074	3.622	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c(OC)c1	408959570	BDJAZIQNEWMOQI-DEDYPNTBSA-N	502.479	3.647	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)c(OC)c1	408965479	HWPNRWANKBBVFT-UDWIEESQSA-N	532.505	3.656	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038931	PXIXFDPECCHUJC-NXYYLBPMSA-N	687.771	3.943	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409363236	KLSQOFKVIZGXQE-STZFKDTASA-N	503.486	3.908	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1c(C)cccc1C	101394078	JPWSTGLVAYIFNY-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	408532962	NLGXMDYMTAJVSR-VKAVYKQESA-N	528.444	3.654	10	40	KHCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)S1	409081462	PHSOESUFHFYRRZ-CXUHLZMHSA-N	515.794	3.977	10	40	KHCB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	10113318	IJKMPNJYEHUAIF-UHFFFAOYSA-N	500.020	3.688	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCC(C(N)=O)CC3)nc12	97947659	AMXVQRMBSWAJAS-MOSHPQCFSA-N	554.097	3.759	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(I)c1O	100062159	GUEHWHYYCGCTCY-NTUHNPAUSA-N	529.128	3.619	10	40	KHCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	101066067	YYIFXLNGROFZMR-RVPSJEOCSA-N	538.651	3.686	10	40	KHCB	
CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	409189651	MFYLIKBPYYFECU-OQLLNIDSSA-N	519.373	3.776	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1	408962634	IQLFKYQPNOEQGR-BJMVGYQFSA-N	503.079	3.970	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cccs1	409053495	KHXVAURAWBUIEX-SBICLSTASA-N	557.697	3.834	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1C	8777667	CCKCFKSMHZYCJS-IWIPYMOSSA-N	536.610	3.849	10	40	KHCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccc(Br)cc23)SC1=S	409129402	GKYKDIXPDVMIFE-VHXYRJIDSA-N	508.463	3.920	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c(C)c1	409252646	UIJAQXUDGIIZBT-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1C	409257553	SUMTXFQYMMTWOG-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br	409273448	QYFMHRHEJRGVFV-QNGOZBTKSA-N	529.460	3.900	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409361204	ATNPAGRSTQUOCC-HZHRSRAPSA-N	503.486	3.908	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(Br)c3)C2=O)cc1	409381057	DHBPIHPGROQDBZ-UYRXBGFRSA-N	608.401	3.928	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1	9190584	FHHDTELDVCYBJK-XJEZJLPISA-N	503.584	3.906	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2	101116574	KFDZLCWVXGUBMA-VUYOJKQISA-N	547.593	3.635	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1O	408913111	SOVDJUVAHDKVGB-VZUCSPMQSA-N	514.101	3.731	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccccc1OC	409056367	QXFXHRPTBOWRAF-OGRZUZBBSA-N	517.651	3.716	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C	97964407	HFCVLOQOFHTRJY-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35808724	PXQRJQIMERHEPB-NGXZDTIWSA-N	508.600	3.514	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408850027	DAPDHJHNSZEJBR-OEAKJJBVSA-N	517.513	3.859	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409110978	ZVMZFTVFHZJKIB-PGFYKJRFSA-N	578.694	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)o1	409185843	REYPXFNGPCWPHF-JLPGSUDCSA-N	557.559	3.588	10	40	KHCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)c1	20207144	DQOVRFMUASJRJP-GLGSTRKCSA-N	514.585	3.771	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1	59929544	BRBFNOCAUPOJMQ-RUZDIDTESA-N	544.073	3.596	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1	97964450	HGTJZGWDUKNXJC-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(I)cc1)OC21C(=O)c2ccccc2C1=O	100506389	QIYIWFZEMHQLGM-NJYVYQBISA-N	594.317	3.895	10	40	KHCB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/NN3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)C2=O)cc1C	100959067	PRBHGMVPJNPMBG-WQRHYEAKSA-N	559.376	3.585	10	40	KHCB	
CCOC(=O)COc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1	409398605	FBUXGFJCBBHNPS-XKZIYDEJSA-N	521.526	3.509	10	40	KHCB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](C)O)cc1	13128958	VIQREZGORXMXTH-SEPLMWNXSA-N	510.572	3.620	10	40	KHCB	
Cc1ccc2nc(NCCn3ccnc3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1	32609549	BBHOKSOGHUPNCV-MOSHPQCFSA-N	502.625	3.713	10	40	KHCB	
CCN1/C(=C\C=c2/s/c(=C3\SC(=S)N(Cc4ccccc4)C3=O)n(C)c2=O)Sc2ccccc21	100702157	IBOMMPMFDZVNDL-IAOGFLSDSA-N	523.730	3.870	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Br)cc1	408874986	GXZTXAGJZFSBAD-UHFFFAOYSA-N	573.206	3.556	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266583	PZQGFGQXWXERAD-UHFFFAOYSA-N	552.834	3.741	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1Cl	41077817	YDTJDXCOOXCIFI-WTZVULCFSA-N	519.004	3.939	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)N=C2S1	41084145	MAZIZPLXKPGURY-VOVIPDMASA-N	502.961	3.571	10	40	KHCB	
CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1NC(C)=O	97964006	JVPALPDEGFDVKY-XDQDRQKSSA-N	624.959	3.853	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	97964746	VBURTFGHUOWCOH-JCMDWAABSA-N	532.987	3.579	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(CN3C(=O)CSC3=O)c3ccccc3)C2=O)cc1OC	100305719	KYMGWDOAWRYLGQ-MOSHPQCFSA-N	557.675	3.981	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851610	KYUDKSAXDQGLCP-BJMVGYQFSA-N	558.179	3.645	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)O	103859272	LMBPGJUVAJWOSD-VGOFMYFVSA-N	523.723	3.631	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)Cc2ccccc2)cc1	408635614	FVUJEATXDRXEOM-UHFFFAOYSA-N	523.655	3.634	10	40	KHCB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408801822	CBBLPFMPOLEMLT-OVCLIPMQSA-N	504.293	3.821	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408803781	ALGIYQNXKRLKSG-KGENOOAVSA-N	501.451	3.627	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	409072180	JAROOIBYODJEOR-CPNJWEJPSA-N	500.891	3.913	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccc(F)cc1	409399250	GYCZBBKHNCUAMW-UNOMPAQXSA-N	557.319	3.909	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)cc1	6282157	BUHRPTCZRZFZOO-NDEPHWFRSA-N	539.615	3.931	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	20102642	MZDOOTGTGPCRNU-XLNRJJMWSA-N	519.696	3.936	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1	22246551	ZDSAJIIPTRORLW-MHZLTWQESA-N	521.683	3.859	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)SC1=S)Nc1nccs1	101002483	WBWOSFLGPOBNOE-BUHFOSPRSA-N	598.804	3.669	10	40	KHCB	
Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC(C)C)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)c1	103001352	LQZJSBDQWABBNS-CMCWBKRRSA-N	501.377	3.783	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc2c(c1)OCO2	169329287	KEMGLYBNPSPUKG-BHDDXSALSA-N	501.878	3.764	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC	408800646	ODMGYCUTYIUJSA-XNTDXEJSSA-N	506.296	3.755	10	40	KHCB	
COC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409400958	WNABBAPTRWSEFA-HOXUKUGESA-N	509.740	3.513	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2055757	ZAULZFKXBQTSRP-INZJWMLVSA-N	518.683	3.711	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21	20207129	COCXCQJGLMVZHG-HUEVTXDHSA-N	514.560	3.692	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1	100336480	BBXHOUDOEMUNCP-SVEHJYQDSA-N	544.631	3.702	10	40	KHCB	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	104195032	UMXCIFPKFZFLIW-CFRMEGHHSA-N	577.732	3.911	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499739	BBJVMSHCEZNYJZ-CVGPFBNFSA-N	540.483	3.935	10	40	KHCB	
CN(C)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C1=O)n(C)c(=O)n2C	408529221	HGFIXKSMSBSUHX-HAVVHWLPSA-N	568.678	3.990	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)o3)c2C)cc1	2652870	VXXDTTKHZJJHGT-UHFFFAOYSA-N	596.687	3.927	10	40	KHCB	
CCC(=O)Nc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cc1	32914598	BFNYHGROLTWNBK-HNNXBMFYSA-N	512.544	3.941	10	40	KHCB	
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(C)cc2)C1=O	100288237	HPVZYPBJZYRUBA-RIYZIHGNSA-N	560.129	3.674	10	40	KHCB	
COC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OC)c4)C3=O)SC2=S)c1	101017003	NPVRYYCISFBBBG-FOCLMDBBSA-N	530.630	3.901	10	40	KHCB	
COC(=O)COc1ccc([C@H](CC(=O)OC)c2c(O)c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)cc1OC	108450424	OCXRKMPCTFDADN-KRWDZBQOSA-N	550.516	3.832	10	40	KHCB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC	408805597	HEASRYXUPGYDHY-MHWRWJLKSA-N	517.332	3.700	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC	409101091	PNPFLFSZCFKYOX-WHNPURCTSA-N	575.691	3.621	10	40	KHCB	
COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21	409123839	IJQVBRGUNTWVCI-NAGKPISUSA-N	552.516	3.937	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6077420	CTOLJSSSQRKDQG-JOCHJYFZSA-N	522.675	3.892	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1	6135933	CDWAZZXTMIZMJL-XMMPIXPASA-N	534.686	3.723	10	40	KHCB	
CCc1cccc2c(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)NC3CCCC3)c12	8777998	AUWXWARWMCYFBS-PKAZHMFMSA-N	576.719	3.800	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	20205465	WRFUYRCKLQURCS-AXPJIBDUSA-N	502.599	3.793	10	40	KHCB	
Cc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	41077867	RRHAWCSWHOYWJT-QGUUBAPPSA-N	507.597	3.650	10	40	KHCB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2cccnc2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	97957168	XHTUBOCAXFEDEN-OFEZKSIWSA-N	548.665	3.930	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1	97964748	WVBCPPJXQKMGET-FZMXLXIHSA-N	532.987	3.579	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1I	408740308	JXYKOHJVMFPLED-KPKJPENVSA-N	573.128	3.604	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408811351	NLKLWZGIGZBIML-FYJGNVAPSA-N	503.467	3.945	10	40	KHCB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	2682015	CNVKQXTVSCRTBR-DLBLZJNESA-N	507.681	3.975	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	9108639	QSDVZERIXWMOOY-HYARGMPZSA-N	511.559	3.631	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1	20205802	TVOAXWCGNFFJOX-LTQDZZRLSA-N	519.004	3.939	10	40	KHCB	
CCOC(=O)CSCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1OC	26593243	UZBJOSSBQPXWID-CPNJWEJPSA-N	514.556	3.886	10	40	KHCB	
COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	27020816	YSBMCSOEGXPICE-YNGKYYQNSA-N	508.625	3.695	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1	97964444	XVQWOPOPTIUECC-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336393	KESCJWUBFJOTMD-ABYGYWHVSA-N	542.640	3.576	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OC	408741466	MDHZRENKLVBZLJ-AWNIVKPZSA-N	573.206	3.902	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408752226	GTWWZPLONKCVSX-OVCLIPMQSA-N	643.228	3.979	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1	408816494	LOESKNDOCAFDLV-LPYMAVHISA-N	517.494	3.556	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034796	OLPGAPJNPMUUGY-OFJZKOHLSA-N	673.744	3.885	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409334627	HULDYUFXFDZNCO-JBDHCHCMSA-N	599.665	3.721	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc(C4SCCCS4)cc3)CC2)cc1	62621162	HCMSWIQJUZHWKU-UHFFFAOYSA-N	502.658	3.835	10	40	KHCB	
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(I)cc(I)c1O	150404808	POHOVMCVWCXSLN-SDQBBNPISA-N	610.971	3.825	10	40	KHCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409003944	MMHQKUIEZCARPM-LDADJPATSA-N	550.395	3.550	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409047853	PVXYBOZTPOQPSV-WSDLNYQXSA-N	530.493	3.596	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1	409068575	UHXLTXRCTGKOTL-XSFVSMFZSA-N	557.378	3.892	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	59706563	TVOIALBOBYXRRD-BHIFYINESA-N	532.892	3.952	10	40	KHCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408755961	QATZBVCNCUOPPT-MFOYZWKCSA-N	570.399	3.630	10	40	KHCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408901944	CRNRUIUZITWKIP-DEDYPNTBSA-N	507.449	3.657	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409010507	KTJHRIRHKYXCOX-PYJSORCASA-N	562.406	3.693	10	40	KHCB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409088071	DYNVVQCJAAVMIB-ZIRCPPMYSA-N	611.680	3.627	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	409177289	GUJSLFZPNNZXBB-GZTJUZNOSA-N	521.414	3.937	10	40	KHCB	
O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	20035369	KXOMHDCLNLIQQU-UHFFFAOYSA-N	526.486	3.688	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1OC	59198206	VNKWCIIGNUXWAZ-MHWRWJLKSA-N	503.305	3.906	10	40	KHCB	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OC)[C@H](c1ccc(O)c(O)c1)O2	96938758	DHYLGBJCEGEBGQ-QIBPRZLVSA-N	746.674	3.511	10	40	KHCB	biogenic,in-vitro
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NNC(=S)Nc1ccc(Oc2ccccc2)cc1	97981355	LFJKUWYGXQZVFU-UHFFFAOYSA-N	529.600	3.722	10	40	KHCB	
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1CC(=O)OCC	97990151	HZHLMJCKIBAIRZ-CIMIHRMLSA-N	578.716	3.533	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	408824815	AUNATXHSMQJUHS-ZGOFBEGVSA-N	571.655	3.913	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409022652	FHFSOZIEQVSEHV-MKWGYRPRSA-N	519.667	3.899	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409044819	DKYAORSTBRQASF-UHFFFAOYSA-N	541.177	3.613	10	40	KHCB	
O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C(=O)N1Cc1ccccc1	100122467	LVGVLQOLESTRGK-FAWUNYRSSA-N	535.394	3.667	10	40	KHCB	
CC1=NN(c2ccc(S(=O)(=O)O)cc2Cl)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1ccccc1	100500468	HLFGEXOHPZQUSN-FLPXOHCLSA-N	611.126	3.680	10	40	KHCB	
CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	409238104	CAXFOEUMOGOTGF-ATVHPVEESA-N	576.478	3.539	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1c(C)cccc1C	97964446	UJPWJKCMHDDDOD-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O)Nc1ccccc1C(F)(F)F	100972342	VGTRJFNVXQRKDX-FNTDYBJHSA-N	519.526	3.673	10	40	KHCB	
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)CC1	101007152	YYVINNRHMJRIRE-JZJYNLBNSA-N	533.672	3.536	10	40	KHCB	
Cc1cc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	103075577	BQFAXMACEHRJMV-UHFFFAOYSA-N	533.606	3.703	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(I)c1OCC	108422852	DKJKTBDLDYYMEB-YVLHZVERSA-N	555.394	3.542	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)O	408855703	GSAJIQYYDQODFJ-LZYBPNLTSA-N	517.332	3.594	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)NC2=S)c(OC)c1	409107005	OCNKSAOERXSGPM-YBFXNURJSA-N	536.566	3.859	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	164477822	BPPYRJRMLAFMAK-UUILKARUSA-N	697.017	3.788	10	40	KHCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	408531600	KXAQCQQKYGSWTE-JXAWBTAJSA-N	509.408	3.958	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	409070324	ZZOUUJPHVVRLHP-XSFVSMFZSA-N	512.927	3.783	10	40	KHCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409376860	DNFPFZYFGZURED-GXDHUFHOSA-N	599.290	3.825	10	40	KHCB	
CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	6077040	CNMIIAAYHPTHSU-WIOPSUGQSA-N	564.712	3.697	10	40	KHCB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)CC1	100909446	XFXGPLIBOQAXDB-NKFKGCMQSA-N	533.723	3.979	10	40	KHCB	
O=C1/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)SC(=S)N1CCS(=O)(=O)O	102623361	CAKFMQIQIPTACN-LDADJPATSA-N	516.582	3.537	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408927802	RIOJWAHGDPZLCR-XQJRBFNUSA-N	576.900	3.986	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409376633	BYTXWHMQRXOCCW-BKUYFWCQSA-N	550.911	3.941	10	40	KHCB	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(O[C@H]2c2cccc(I)c2)C(=O)c2ccccc2C1=O	102668158	YPQCUAMGKLLNMC-HBMCJLEFSA-N	549.320	3.986	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	408597788	YEWSGADKBNBZAQ-VWLOTQADSA-N	514.047	3.587	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1	408768536	XUFMGKNRYXMWBY-WLJFKGHSSA-N	544.446	3.766	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC	408868657	NXTFQIFRXOYWFK-WQLSENKSSA-N	510.259	3.504	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408980612	GBKGBDSGDDPTSA-LXYLXTGBSA-N	585.638	3.633	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409039775	DLBTUTXELSCECY-LPYMAVHISA-N	544.520	3.986	10	40	KHCB	
CN1CCN(C(=O)CCCc2ccncc2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568003	DLUGTDNBKBDAPE-UHFFFAOYSA-N	542.680	3.825	10	40	KHCB	
COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)nc(S)n3c5ccccc5nc43)CC2)cc1	15953235	QAYSPUVJEQXMDJ-UHFFFAOYSA-N	512.639	3.885	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408756289	RCSWHBYWELAPOM-VGOFMYFVSA-N	582.201	3.747	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409056566	MUDKWEKHVCPEBT-YBFXNURJSA-N	566.364	3.847	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1OCC	409188558	DDPUVQKZJKONOR-LICLKQGHSA-N	516.934	3.653	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	1451393	JIODCCTYNQGEAJ-ZHZULCJRSA-N	509.632	3.690	10	40	KHCB	
COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1	6157364	NBEKLAHXTVFULB-JWGURIENSA-N	535.695	3.887	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c(C)c1	6195222	CYGYGBOPOGRLCO-DEOSSOPVSA-N	534.686	3.954	10	40	KHCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777981	KTVDEJUVDNFNOY-UGHLTKRUSA-N	562.692	3.580	10	40	KHCB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1	100286107	UDFRREZVZDZFSR-HKBQPEDESA-N	632.743	3.850	10	40	KHCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	101066064	YYIFXLNGROFZMR-GCFJHJGGSA-N	538.651	3.686	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(OC)cc3s2)C1=O	408536333	WDRQTAIDOXKNOM-GXDHUFHOSA-N	501.362	4.209	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1	409370861	UXFPDAQIKPVFPU-XSFVSMFZSA-N	533.512	3.917	10	40	KHCB	
Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)ccc1Cl	41077753	JVIDIMQFTPSFOL-XKVLWOBQSA-N	519.004	3.727	10	40	KHCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408779989	PJFORBZMRVRQJA-SIXXWLKTSA-N	504.583	3.794	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408864836	ADALLJGADWJKHO-BUVRLJJBSA-N	513.550	3.716	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408981561	BRCSXBZGWCQFMA-NSIKDUERSA-N	537.750	3.638	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409108815	WFPKIPPBMGMXQS-GOOXQAOHSA-N	509.075	3.823	10	40	KHCB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(F)cc1	409364402	PKGATYKGYLJYIK-NDENLUEZSA-N	554.328	3.978	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccc(C)cc3)C2=O)o1	409400822	RDTRVZQVSVTOMU-XKZIYDEJSA-N	532.553	3.551	10	40	KHCB	
CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	6077028	CNMIIAAYHPTHSU-DHLKQENFSA-N	564.712	3.697	10	40	KHCB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6135891	OKXXMFIYXQNVRG-VWLOTQADSA-N	558.664	3.603	10	40	KHCB	
O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1c1ccc(I)cc1	9108904	NTIIWAQYKGZSTR-KJCUYJGMSA-N	517.327	3.725	10	40	KHCB	
O=C1[C@@H]2[C@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	100676554	YPQCUAMGKLLNMC-ACRUOGEOSA-N	549.320	3.986	10	40	KHCB	
CC1(C)CC(=O)[C@@H](CC2C(=O)c3ccccc3C2=O)C(=O)[C@H]1C(=O)C(=O)Nc1cccc2ccc(O)cc12	102967958	KBLDJIBQZZQFFC-YKSBVNFPSA-N	511.530	3.939	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3cc(C)ccc3C)CC2)cc1	225942279	LPPBKHQDRALXDV-UHFFFAOYSA-N	521.683	3.894	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(C)o1	408988775	SGRDZIBKNLPLTR-AURKMBPUSA-N	545.617	3.836	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409049819	XRMPUUARJFDDDB-YBFXNURJSA-N	613.364	3.689	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	208363816	BIRNPCZYZHVTHI-CSJROMOCSA-N	571.655	3.911	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223144010	NLTZXWZPESPIFW-RRPNLBNLSA-N	504.704	3.860	10	40	KHCB	
COc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1	408987233	FEZYJCCQRUWVTI-UHFFFAOYSA-N	548.573	3.924	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c([N+](=O)[O-])c1	409172781	LGQDTRCWRNVAIP-LDADJPATSA-N	506.540	3.851	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(-c4ccc([N+](=O)[O-])cn4)c4ccccc34)C2=O)o1	409401382	SWNYMUVFQGUQEA-ODLFYWEKSA-N	501.455	3.715	10	40	KHCB	
COc1cc2nc(C)n(CCn3c4c(c5ccc(OC)c(OC)c5c3=O)C(=O)c3ccccc3-4)c(=O)c2cc1OC	524729215	KDNYLVAGQVEBRY-UHFFFAOYSA-N	553.571	3.966	10	40	KHCB	biogenic
Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c3ccccc32)cc1	102477699	UFRWHQSKRNJQLR-BOJMXSMESA-N	526.622	3.866	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1	408588155	CSKJGUNWLGDVAN-RUZDIDTESA-N	558.498	3.696	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1	3335813	XLXIHFRKCHJFQJ-UHFFFAOYSA-N	528.602	3.613	10	40	KHCB	
COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972002	QMSCOIHAHZFVQO-MRXNPFEDSA-N	575.526	3.544	10	40	KHCB	biogenic
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	408789621	NDRGOLVNPHAUFI-IBNIFWCESA-N	506.555	3.564	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408842455	PEGRHBLYCBADHY-SNXNUMJZSA-N	590.485	3.635	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408803551	QKKNBJIOJKJGSF-RGVLZGJSSA-N	518.438	3.757	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)N1CCCC1	409252968	AGTXFQCSMWLOKU-UUYOSTAYSA-N	512.609	3.827	10	40	KHCB	
O=C1[C@H]2[C@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	2300349	YPQCUAMGKLLNMC-HKBOAZHASA-N	549.320	3.986	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1	100336474	NDSJHYQFSQEMPB-FUFSCUOVSA-N	544.631	3.702	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)cc1	150403029	KZLVDMCFAMJUPS-VGOFMYFVSA-N	678.242	3.589	10	40	KHCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223147252	RBEPRYAZIQQWPN-UIOOFZCWSA-N	536.658	3.711	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1	408739969	HCVXOWQMXVWHHC-UDWIEESQSA-N	503.467	3.857	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	408772035	MOQULVUZLYSWEP-OVCLIPMQSA-N	537.750	3.719	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	408857490	OOESKLAHMWJLBV-WUXMJOGZSA-N	592.102	3.710	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)OC	408858169	XHEDHJAMWDDNCS-RQZCQDPDSA-N	531.359	3.683	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccccc1OC	409103571	DJAFGVULWUTDGC-CSJROMOCSA-N	548.709	3.664	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCC	409195807	WBJKQWZCOJXVCD-OQLLNIDSSA-N	519.373	3.776	10	40	KHCB	
CCCCN1C(=O)/C(=c2\s/c(=C/C=C3\Sc4c([n+](C)cn4-c4ccccc4)N3CC)c(=O)n2CC)SC1=S	107877669	BEDMGRFGPOENAG-OTAWEZBQSA-N	584.838	3.568	10	40	KHCB	
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2	108450925	YLHHCCBVNKFBIW-ZDUSSCGKSA-N	520.446	3.503	10	40	KHCB	biogenic
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409071567	HGTBCJYWEOGDEW-XDHOZWIPSA-N	570.963	3.569	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	1899360	RGKYMALBZMHHJV-KGENOOAVSA-N	554.675	3.610	10	40	KHCB	
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C	4016438	JRIYXOJZKGLECM-AERNQAQFSA-N	551.650	3.508	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C(=O)O)c1OC	12032198	BNFVCWSHFGSWKJ-SFQUDFHCSA-N	511.581	3.606	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)C2=O)cc1	408817757	WEZMQGWVXDLLMR-MHWRWJLKSA-N	564.332	3.542	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	409069030	VLZOWEQDKIXTHP-UDWIEESQSA-N	527.898	3.682	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	20572411	PQXYMPXKSMRAQF-ZFWHIUCFSA-N	518.639	3.921	10	40	KHCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3)nc2s1	41083333	KYRFDCJHDKMADW-VOECXEDKSA-N	507.601	3.568	10	40	KHCB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	100085261	LMRBXTRKCMZRRW-UHFFFAOYSA-N	530.046	3.697	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	100863838	AIIYYEQKUIEHBS-HGBKYHTQSA-N	549.678	3.935	10	40	KHCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851725	BYAJGQVWUMXWAY-BJMVGYQFSA-N	513.728	3.536	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1	409058949	ZYKBCLXNLQSREV-MZXOZGJISA-N	551.668	3.772	10	40	KHCB	
O=C1N=C(O)/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N1	2775730	ZCGAHIQVHLJCMS-UHFFFAOYSA-N	530.150	3.569	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1O	9056469	MITOZTUXZGYXEY-AWNIVKPZSA-N	510.138	3.982	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	97947411	GLBOLZDLYLYRSZ-YLCCHKQJSA-N	552.678	3.995	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1OC	409144527	OHSQIWOTIBOTHW-VIZOYTHASA-N	537.352	3.916	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccccc1F	409388287	TXLNZWZTLVDYTF-CXUHLZMHSA-N	537.887	3.892	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)CC1	1480709	SETRTPVYLIDGGF-UYPHOHSBSA-N	514.673	3.782	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	6245114	WYAQPQURHDAGQX-HSZRJFAPSA-N	520.659	3.646	10	40	KHCB	
Cc1nc(Cc2nnc(SCC(=O)c3cc(C)n(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3C)o2)cs1	103118488	NCUFIQQTNDKHOL-UHFFFAOYSA-N	573.722	3.829	10	40	KHCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103596539	HXLWACXCGSJRJV-RSRMSENYSA-N	516.004	3.952	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	103806035	CLMYMLAYLOXUPI-GASCZTMLSA-N	593.668	3.950	10	40	KHCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(C)cc3)C[C@H]2C(=O)O)SC1=S	256055884	XTDVTKBXHLFTBE-IRLXKLJHSA-N	523.636	3.734	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1	408890588	WBMOHENSWIHSCN-XDHOZWIPSA-N	512.927	3.788	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1	409055946	KFJUUJQIJOHBJL-DEDYPNTBSA-N	533.924	3.811	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1	9659308	VEILDCKZRJVWRE-UHFFFAOYSA-N	503.349	3.658	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	100769933	UKCSRDWPZBSJEN-YMLINEMLSA-N	561.733	3.705	10	40	KHCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C	103117951	MRIJIIHIAVOHLG-LWSWPZBTSA-N	519.587	3.942	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	104090522	QEIALNPKTRAHQP-LYEHZDMLSA-N	510.532	3.510	10	40	KHCB	
O=C1C[C@H](c2cc3cccc4c3n(c2=O)CC4)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108447503	YTMNKIODANRXHW-OAHLLOKOSA-N	525.469	3.594	10	40	KHCB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(Br)cc1OC	409073646	WSEOHYGBVJNQMT-RIYZIHGNSA-N	521.389	3.705	10	40	KHCB	
CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2196393	LCNHZFKTCJAYIW-NDENLUEZSA-N	508.625	3.979	10	40	KHCB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1	6443998	SRBCUXMPESFTPU-HSZRJFAPSA-N	522.675	3.749	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103857065	JTWNOWHGTXFAQJ-UHFFFAOYSA-N	534.388	3.934	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223694584	LYCHNWJQPGUEOO-RPWUZVMVSA-N	509.588	3.942	10	40	KHCB	
O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1	408551845	GNLIOMZQHCADRD-UHFFFAOYSA-N	513.131	3.523	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408803077	KZSRKNPLSJSYMQ-LPYMAVHISA-N	503.467	3.857	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)NC1=S	408903995	CCYVXDUYVLCCEN-KPKJPENVSA-N	543.180	3.899	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409060068	SDLSEYZTRDSTGV-QPJBPQEWSA-N	547.677	3.724	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409071222	IRSILDQOGCHMCJ-VCHYOVAHSA-N	557.924	3.691	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409262882	JIHPQCZBSSNOTK-PDGQHHTCSA-N	550.911	3.941	10	40	KHCB	
COc1cccc([C@@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)c1O	15276078	MNQQJSUXXYLZJS-DNHJLFCISA-N	525.561	3.707	10	40	KHCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)OCCN(C)C)cc3)C2=O)cc1	101005894	OCOYRVKDGQAUBD-XLNRJJMWSA-N	555.678	3.812	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408890451	UBLHVNXMFVMFOG-ZHZULCJRSA-N	508.577	3.603	10	40	KHCB	
Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c(C)n1-c1ccccc1	3279207	IVZLQQPXUPLPGN-UHFFFAOYSA-N	509.628	3.984	10	40	KHCB	
CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6076908	CHVVRIQPIPOARK-JOCHJYFZSA-N	526.638	3.580	10	40	KHCB	
COC(=O)C[C@H]1c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)Oc2nc3sccn3c21	96222362	ZVFODBWXGHEUQG-JTQLQIEISA-N	508.464	3.792	10	40	KHCB	biogenic
CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1Nc1ccccc1	100702492	RYSOXNAHYHAEOR-YJZCZVOBSA-N	525.659	3.861	10	40	KHCB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	100861782	WEYYHXBKMZKJJU-HKWRFOASSA-N	526.087	3.891	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2996949	DFVDCDRRDXVETI-LJJBLSSYSA-N	556.482	3.635	10	40	KHCB	
COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1	25183982	PBRFLWZKKOTEEV-UHFFFAOYSA-N	520.659	3.996	10	40	KHCB	
CCc1cc(OCc2ccccc2C=C2C(=O)NC(=S)NC2=O)c(CC)cc1COc1ccccc1C=C1C(=O)NC(=S)NC1=O	150409553	GMBGOHIVYROZFD-UHFFFAOYSA-N	654.770	3.798	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(=O)O)c1	223186831	OTXFZQPELFYXFY-IZZNHLLZSA-N	519.671	3.882	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408537559	WFZZJPOTJSCZSN-IFGSHVPTSA-N	550.564	3.591	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	408901790	CGPGAAWRQHLZLN-UDWIEESQSA-N	507.344	3.622	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	409072383	VHAMROABHLDXIO-CPNJWEJPSA-N	527.898	3.682	10	40	KHCB	
CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1Br	409235714	PYXHWIXGUUOEGD-QGOAFFKASA-N	501.381	3.835	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	103858248	NTZUAYULRIYKEW-WUXMJOGZSA-N	525.109	3.795	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	106153742	UFSZFVTZCDRXLN-UHFFFAOYSA-N	560.072	3.910	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223146949	CWFWJKUKHGEMLL-IZZNHLLZSA-N	536.658	3.711	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408771403	GGCKGDQPVFNKCZ-NTUHNPAUSA-N	588.139	3.879	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(CC)CC)cc4OC)c(=O)n32)cc1OCC	408943860	ZGIFGPJDNMJXOE-NIXSXDNJSA-N	565.692	3.670	10	40	KHCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)c1C	408953029	NZNNHDSKYBWODZ-IZZDOVSWSA-N	515.101	3.930	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1	409069493	JGNQHJCYSXNDAP-CPNJWEJPSA-N	540.937	3.561	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409258114	RLAXKMHJSNINDY-DEDYPNTBSA-N	503.486	3.827	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N	6077448	RVDZEYPGYDCAQZ-QFIPXVFZSA-N	540.665	3.718	10	40	KHCB	
O=C1/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1	8858089	PEOKEUZNKCCIOH-ZHZULCJRSA-N	520.615	3.934	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	13592025	QPDKHCINUNUSBH-OWAUWMPXSA-N	508.600	3.514	10	40	KHCB	
O=[N+]([O-])c1ccc(S(=O)(=O)C(/N=N/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	103609167	RBUSKBAYWNCMNX-QZQOTICOSA-N	535.472	3.726	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	409186128	WZXDOXUPAHQMBT-PBMUUGLVSA-N	562.406	3.693	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N	6077416	RVDZEYPGYDCAQZ-JOCHJYFZSA-N	540.665	3.718	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Br)c1OCc1ccc(C(=O)O)cc1	20030305	PLOVPOMCLXJNQK-UHFFFAOYSA-N	505.346	3.880	10	40	KHCB	
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	150436951	DNBQVOKWVZSDFE-JIBZRZDWSA-N	634.877	3.973	10	40	KHCB	
COc1cc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5cc(OC)c(OC)c(OC)c5)S4)CC3)=NC2=O)cc(OC)c1OC	226759977	FNJMAFFORNFPHW-DFEHQXHXSA-N	640.740	3.997	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1	408894658	INPQZLLHMDSOSB-DEDYPNTBSA-N	599.415	3.978	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	408986780	PEOMLIUYMQKPPY-QTTRZTASSA-N	571.655	3.913	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(I)c1OCC	409115127	KIPODHMISMVINE-OQLLNIDSSA-N	582.416	3.937	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	409374425	PEXHSZXBOGYNCG-GIJQJNRQSA-N	555.337	3.990	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	41077816	GXYVBDDNYDPBMG-LTQDZZRLSA-N	519.004	3.939	10	40	KHCB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	100087967	RPTQWZMIQNYILU-UHFFFAOYSA-N	544.471	3.797	10	40	KHCB	
CCOC(=O)[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	409410090	YTOZORZXDLTZLV-FMNVXAMXSA-N	503.349	3.640	10	40	KHCB	
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6135854	MEMIOASSJZPVJD-DEOSSOPVSA-N	550.685	3.736	10	40	KHCB	
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)CC1	8819884	DGGSFVGSSABWBR-JZJYNLBNSA-N	505.662	3.758	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	13626362	QISHERPDNUYSOB-UIFDUCBYSA-N	519.648	3.988	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	83319927	KYUIGVWXFNFENU-XQNSMLJCSA-N	513.550	3.844	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223658429	RDICOPNTZCNLKC-DNQXCXABSA-N	509.588	3.942	10	40	KHCB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC	408530409	FHJWTEJIOGQEGG-SBKFOPBMSA-N	520.538	3.582	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1	409388286	VIDXOAFLNVOIFD-XQNSMLJCSA-N	515.522	3.778	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc(F)cc1	41083989	JMYVWNWPNYEOAC-MPZQNCSBSA-N	516.576	3.815	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCC(=O)OC	408853606	QFQPDKNUUWVIRP-UKTHLTGXSA-N	509.367	3.775	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c1	408956059	ZURONZDEBRDZKF-KPKJPENVSA-N	547.168	3.877	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409227050	XFMBRTJEFAJDSL-HYARGMPZSA-N	544.520	3.986	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1	409259494	ZYLLUSAQLPJQTH-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409265534	VKHXBRZHFDCHQV-MOSHPQCFSA-N	500.467	3.587	10	40	KHCB	
Cc1ccc(N2NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1C	100280725	QDENVAJUCAHFFN-AUWJEWJLSA-N	560.129	3.680	10	40	KHCB	
COc1cc(C)ccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	101394867	KCLBDNHNUHQDBQ-GZYMTNKHSA-N	549.030	3.736	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552466	IRJKRTOUKITRFW-UHFFFAOYSA-N	514.774	3.587	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Br)cc1	408866188	GJVRZLDIIITNPK-UHFFFAOYSA-N	587.233	3.946	10	40	KHCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(I)c(O)c(I)c1	408919417	XNUYYZPYUVTFOZ-WZUFQYTHSA-N	594.143	3.572	10	40	KHCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409262590	IBOJZTJMOAOJJD-BKUYFWCQSA-N	500.467	3.587	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223640707	RJBPNAXEEVBXHR-RRPNLBNLSA-N	519.671	3.861	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)O	408985710	XXXMLWUIUSUMCL-NSIKDUERSA-N	537.750	3.939	10	40	KHCB	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)CC2)cc1	100762488	JFZXPRGFEWPSIU-ZKFYFQMZSA-N	577.732	3.718	10	40	KHCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3Br)C2=O)c(OC)cc1Cl	408771487	GTPNWCYGSITQRR-VZUCSPMQSA-N	525.739	3.803	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(C)=C3C(=O)OC)o2)cc1	409184490	GVPTUYILDUIUII-IWIPYMOSSA-N	575.549	3.728	10	40	KHCB	
CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	409357019	IEUYHOMRCAGQQC-YBEGLDIGSA-N	517.332	3.700	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	4119446	QIYIWFZEMHQLGM-HKBOAZHASA-N	594.317	3.895	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1	408755496	OAUNCKTWMZXSCV-STZFKDTASA-N	538.603	3.611	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O	409352631	XMBZIZLMUMFOQG-OQLLNIDSSA-N	527.443	3.999	10	40	KHCB	
COC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409400959	WNABBAPTRWSEFA-RLIURORJSA-N	509.740	3.513	10	40	KHCB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	6089835	XWPWNVITCOVEGI-XMMPIXPASA-N	550.685	3.736	10	40	KHCB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)c1	6242431	SQLAXWGDDLVCDV-CSJROMOCSA-N	524.646	3.949	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1	6475159	ZSNFIIOQVHHLJV-CIAFOILYSA-N	502.914	3.871	10	40	KHCB	
O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C/Nc1ccc(I)cc1	12957889	IGKSNJSQYUOHEO-UKTHLTGXSA-N	579.704	3.845	10	40	KHCB	
CCOc1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)cc1	97946784	UTANECPALCTGJZ-SSHUPFPWSA-N	574.746	3.901	10	40	KHCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(OCC)c3)C(=O)N=C2S1	97964686	BYNCXLUUYQVUON-XHJIMPDRSA-N	537.627	3.856	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100148024	SWCYMEANQQCZJY-FSSWDIPSSA-N	532.892	3.952	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	100407018	CQGOLRRSSMPDCP-UHFFFAOYSA-N	530.046	3.901	10	40	KHCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	101191961	RDTGQKCTNSELIJ-HMMYKYKNSA-N	534.560	3.948	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	408783955	OTQUGQDGXPQRMK-OVCLIPMQSA-N	537.750	3.719	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1	409041436	VUWDRCIBJUDDKY-SJJVXOANSA-N	541.629	3.904	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	20080572	PIIVTTIDEUSCJM-SANMLTNESA-N	531.661	3.979	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)c(Br)c1OCC(N)=O	100230557	WCRDDHAACKUGLW-NVNXTCNLSA-N	581.217	3.979	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1	100336489	BBXHOUDOEMUNCP-VAVYLYDRSA-N	544.631	3.702	10	40	KHCB	
COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	101396628	HGQHUTWOJPEPQX-OEMPCWLZSA-N	528.612	3.553	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1F	101396900	LOAKRJZGFQAGHE-QAGNQREPSA-N	544.586	3.843	10	40	KHCB	
Cc1ccc(C)c(OCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	20205886	ZPMSOEXDXZBNJB-VZKFJVGXSA-N	521.624	3.958	10	40	KHCB	
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336559	KSCBSPABIKBXLZ-YZNIXAGQSA-N	540.668	3.871	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377536	MAGVYSPTGJDNKX-MFKUBSTISA-N	536.610	3.930	10	40	KHCB	
COc1cc(I)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	408721832	AAHUWQLRUKQRMN-AWNIVKPZSA-N	528.755	3.793	10	40	KHCB	
CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409354463	FURMZCWUNFXUSF-DHDCSXOGSA-N	504.293	3.821	10	40	KHCB	
COc1ccc(CCN2CC(=O)N3CCCC(c4cc(NS(=O)(=O)c5ccc(C)cc5)ccc4O)=C3C2=O)cc1OC	98048359	YCJKFUYSSHSLAN-UHFFFAOYSA-N	591.686	3.937	10	40	KHCB	
CCOc1ccc(NC(=O)[C@H](/N=N\c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)C(C)=O)cc1	104123801	GKDRWALHGQSUBZ-KRXRYSOXSA-N	502.578	3.726	10	40	KHCB	
CC(=O)Oc1c(I)cc(I)cc1C=C1C(=O)OC2(CCCCC2)OC1=O	104660484	LUWGJDSOVFULKC-UHFFFAOYSA-N	582.128	3.965	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OC	408909641	HWOPBDLKUOTAOV-VGOFMYFVSA-N	510.259	3.504	10	40	KHCB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1	6089837	MJBGEVPGOLIISR-XMMPIXPASA-N	552.701	3.839	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC	8819507	BYRAMBBOBQGBTG-JWGURIENSA-N	500.642	3.706	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1	97964439	RFHYMQFUZWBJPU-NWSLSDTJSA-N	549.030	3.818	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)c(Cl)c1O	408854707	BMADZAZBYYWWOD-VZUCSPMQSA-N	509.696	3.602	10	40	KHCB	
CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)SC1=S	409332556	QFNXRJKJIXWVPB-ZROIWOOFSA-N	521.398	3.853	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1C	408853075	POLUYLQWDXSMJY-MKMNVTDBSA-N	552.175	3.958	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408897589	YRIOEBOBTAJOFK-PXLXIMEGSA-N	564.572	3.614	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408982202	JBWJINQXCWWBII-LCQSEVKBSA-N	601.681	3.921	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409071202	IOLVTRDIZCOIHZ-FYJGNVAPSA-N	531.477	3.937	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	409072570	VZXJQSXKXDPBJM-DEDYPNTBSA-N	510.499	3.577	10	40	KHCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409113061	GIQJDBHZLZHTKS-GZTJUZNOSA-N	500.349	3.733	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1	409157545	VEUIXCALGODDAG-ODLFYWEKSA-N	502.936	3.760	10	40	KHCB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)cc1	409382804	RCJLYWXTVARABC-JMIUGGIZSA-N	580.937	3.949	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	27551387	NSIBPFQXKFSBEN-OWXSRONMSA-N	505.640	3.652	10	40	KHCB	
Cc1csc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4nc(C)cs4)C3=O)SC2=S)n1	101002428	KTKXQSYRWJOLPR-BUHFOSPRSA-N	598.804	3.506	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc(F)c1	103856666	WVHQBWXLDQIGPK-UHFFFAOYSA-N	540.354	3.617	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1	409221878	BIPITMWRUBYXGW-HYARGMPZSA-N	515.522	3.696	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)NC2=S)cc1	9310981	LHDFQBXXSIPTMX-FYJGNVAPSA-N	518.547	3.812	10	40	KHCB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1C	13127460	VODUUGOUSHWIGO-CQSZACIVSA-N	518.478	3.920	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	41084033	KVLZEQXDVZKILQ-WTZVULCFSA-N	519.004	3.939	10	40	KHCB	
CCOC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	97994483	YCSJGZFOIWUWJR-RWZJNDCZSA-N	536.657	3.982	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551694	LZWWCUZMRVDFGW-UHFFFAOYSA-N	557.184	3.922	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073539	ZTKJLUJXNSTWAJ-DEDYPNTBSA-N	542.953	3.878	10	40	KHCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)c(C)c1	409108330	WCSMIHRCJFVKET-XDHOZWIPSA-N	506.536	3.890	10	40	KHCB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	902692	WPCFILRHIGJAAG-LJAQVGFWSA-N	557.607	3.790	10	40	KHCB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)ccc1Cl	9233887	ROQVDAACRHUCBF-UDWIEESQSA-N	515.975	3.638	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(=O)O	223186600	IZCJOZULSNNSQV-IZZNHLLZSA-N	519.671	3.882	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408536226	QLKNQBANZVYWTM-GZTJUZNOSA-N	518.453	3.839	10	40	KHCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(C(C)C)ccc4OC)CC3)CC2)cc1	408700400	FMIJVCFMDJEPOK-UHFFFAOYSA-N	515.676	3.577	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	408899293	OBEZEVDUIGHKLB-AWNIVKPZSA-N	711.044	3.877	10	40	KHCB	
CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)C(C(=O)OC)=C1C	409012320	QLTHTVJEYFABCY-VCHYOVAHSA-N	506.342	3.534	10	40	KHCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409093430	ZCFHXDAIAILZTM-CXUHLZMHSA-N	545.820	3.985	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1	409267117	SMBUONCJNIWVPG-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	33339618	JIODCCTYNQGEAJ-XSFVSMFZSA-N	509.632	3.690	10	40	KHCB	
O=C(O)CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S	97957710	PGDXPMFFUKYBHF-WCWDXBQESA-N	537.663	3.609	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4Cl)C3)CC2)cc1	408526715	BXQSCOPMDPTPMA-KRWDZBQOSA-N	512.459	3.752	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1	8995409	AJCSEIYKIPTUJH-YWEHKCAJSA-N	530.604	3.706	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	9851380	SEINZSSVZMCFNK-XPWALMASSA-N	512.474	3.607	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147009	CWFWJKUKHGEMLL-UIOOFZCWSA-N	536.658	3.711	10	40	KHCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@H]2C(=O)O)SC1=S	256055821	VMAQVZSRVMHAFK-MHTIRGBASA-N	527.599	3.565	10	40	KHCB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409081072	GDNVYDRUMWHEFK-ZJZHBOIVSA-N	624.723	3.543	10	40	KHCB	
CC[C@@H](C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)OC	1565524365	KRJNWOXNCNWARZ-BOVDGQEDSA-N	502.615	3.882	10	40	KHCB	
Cc1c(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)c(=O)n(-c2ccccc2)n1C	1907909	WTDBGBVBRCQOKU-FBMGVBCBSA-N	527.425	3.975	10	40	KHCB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	13647437	YJODMWBYUKEINU-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	26570616	GMVPAJRBBCNYPI-IMYCLOGUSA-N	503.624	3.538	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C	41077951	VGDRLQGPJCZOEA-UHFFFAOYSA-N	519.417	3.837	10	40	KHCB	
O=C1/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	97968901	ZUMAWSXUMIEUCD-FMNVXAMXSA-N	578.491	3.638	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	223165134	JWBQAKNEYMAUNH-UIOOFZCWSA-N	519.671	3.580	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408530913	GAEMSUSLXCLBSL-UYZIFGKASA-N	564.591	3.981	10	40	KHCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	9161116	DIMBBPLXLIAAAP-QFUYOXOXSA-N	525.034	3.924	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cccc(C)c1	101394316	IZHWOXXXXSJSBM-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3C[C@H]4CCC[C@H](C3)C4=O)c2C)c1	103137865	JCUVOWYZRKXUPH-QZTJIDSGSA-N	509.555	3.789	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408537757	XBIJKGIYIJEXAF-XMHGGMMESA-N	531.477	3.888	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408693882	ALPNRSJNDPYQTE-WOJGMQOQSA-N	542.386	3.880	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(I)c1	409241408	XHHVCPAVTGQSGF-VXLYETTFSA-N	512.307	3.760	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	409376638	CBHVRQZGFNKPTE-CPNJWEJPSA-N	519.485	3.527	10	40	KHCB	
CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1	20170838	QXAKUNVCWTUYJV-UHFFFAOYSA-N	501.377	3.852	10	40	KHCB	biogenic
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	26108949	OFBOJBBZWWZSTG-UHFFFAOYSA-N	526.486	3.893	10	40	KHCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C	101396371	JLNOFFZRLFWWJI-OWNMXVKDSA-N	528.616	3.958	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408846808	SEBJAEGTXDQVHN-QGMBQPNBSA-N	507.886	3.841	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)O	409162366	UVQVHYZWEQRLIK-UFWORHAWSA-N	502.614	3.607	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	96298815	GSHJILBCVDCOQQ-SGNDLWITSA-N	509.514	3.867	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)c(C)c1	101394499	CYPFFRWGJZCOBB-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccc(C)cc4)o3)C(C(=O)OC)=C2C)cc1	409002835	BLDWDGMLMBLVRZ-PCLIKHOPSA-N	571.586	3.897	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(OC)c(OC)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	6136629	JADHZGVVVHISPG-MHZLTWQESA-N	545.644	3.567	10	40	KHCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	13777689	DFULOXYWJWUBJJ-UOIFGXKSSA-N	511.650	3.936	10	40	KHCB	
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222867	XORIDJKUIPWNDH-OAHLLOKOSA-N	508.479	3.995	10	40	KHCB	biogenic
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	100860407	NESDNGVFZCQSIT-RCCKNPSSSA-N	567.668	3.535	10	40	KHCB	
COc1ccccc1OCCCn1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	101394387	PDHLZTMOAAGABW-UIBINATQSA-N	537.623	3.740	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c2=O)=N1	409034233	MWHSBWOXGBZCGI-DBXPASCUSA-N	555.656	3.992	10	40	KHCB	
O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1cccc(F)c1	409398816	DAXLQTDLYFQDFE-NVMNQCDNSA-N	510.865	3.866	10	40	KHCB	
Cc1ccc(S(=O)(=O)CCC(=O)N2CCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C(=O)N(C)CC2)cc1C	643567972	CJSKAKOUZDLGOQ-UHFFFAOYSA-N	619.784	3.888	10	40	KHCB	
Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)c(O)c1	12716659	JYEAGNYBOJLFRH-HHHXNRCGSA-N	515.614	3.878	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC	13371391	BKDIGYAZIWEDSS-MLPAPPSSSA-N	510.138	3.895	10	40	KHCB	
COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108448445	GVEICTMRUVWSCF-OAHLLOKOSA-N	561.499	3.533	10	40	KHCB	biogenic
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC(=O)O	408855134	DUTVHRRVVMXMBB-BJMVGYQFSA-N	607.209	3.901	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)C2=O)cc1OCC	409193353	JGTZVUIIPVEMHY-RQZCQDPDSA-N	638.411	3.613	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	409257361	SHNXBXRFECCISI-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(C(=O)O)cc3)C2=O)o1	409400344	OULWBRQRBHKGKD-MTJSOVHGSA-N	519.510	3.502	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)O	408903549	ZOKJYIRQFFLYAX-CXUHLZMHSA-N	506.296	3.959	10	40	KHCB	
O=C(COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)cc1	409221772	AUTBWTAEIPVCLF-UHFFFAOYSA-N	573.650	3.797	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)CC2)cc1	14397467	NXDQBFCXVMXGKC-UHFFFAOYSA-N	500.448	3.897	10	40	KHCB	
CC(C)N(CCNCc1cc(I)cc(I)c1O)C(C)C	48277688	MXSBPMQGFYFCIJ-UHFFFAOYSA-N	502.178	3.810	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Br)c1OCC(=O)O	59135482	LRKQPRWCLMOZST-VGOFMYFVSA-N	507.268	3.957	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409074626	WBGCVTUBWOGSGQ-UHFFFAOYSA-N	507.656	3.586	10	40	KHCB	
CCOC(=O)c1cc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)ccc1Cl	97962708	HPCBYYDJBUQPHB-GIJQJNRQSA-N	534.999	3.820	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1	97964391	UCALNDBKCZPVHI-LXEXHQCYSA-N	549.030	3.736	10	40	KHCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	103850925	SYIRKAUMXOQTQT-WEVVVXLNSA-N	594.143	3.572	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1	408772071	KXLFAPXZXZCWCU-GJFKPFFXSA-N	523.630	3.792	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409384220	BGQILOGRPRGXHQ-RGEXLXHISA-N	503.486	3.908	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)cc1	6281704	VHIGAERKSQZSCV-NDEPHWFRSA-N	539.615	3.931	10	40	KHCB	
CN(C(=O)COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1O)C1CCCCC1	8686709	QJEKLQVOYMAMAE-UHFFFAOYSA-N	525.967	3.703	10	40	KHCB	aggregator
CCc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1	20547441	QLGRXBMXJQLIQF-DZNDNOMISA-N	509.562	3.952	10	40	KHCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)c1	32961262	PCBRFGKEQFMOLQ-FWPSJRISSA-N	500.558	3.523	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1	100336610	ZZELVJDMYFEIMK-GMCHKSTQSA-N	596.688	3.540	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1	408781332	CFLIFGGRPJCKBV-JHRFGPFWSA-N	506.555	3.564	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409086404	VIXDCEDGHYZAFK-LICLKQGHSA-N	519.382	3.870	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1O	9322182	SAKWPXAAZYYANW-DHDCSXOGSA-N	506.296	3.624	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O	101133397	CCVKOSDKZQOJNB-NJYVYQBISA-N	502.866	3.943	10	40	KHCB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1OC	408530408	FHJWTEJIOGQEGG-IWQBDLFKSA-N	520.538	3.582	10	40	KHCB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408686169	MSABIQWEKUWIHN-GVAUOCQISA-N	532.593	3.688	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408795542	CIVHBEZUMAZCOD-FYJGNVAPSA-N	531.477	3.635	10	40	KHCB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1	409404084	BUFWYASFBFKGMZ-MOSHPQCFSA-N	522.355	3.937	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	97947736	MVKDUEMPLDPMGF-CCQQXMDGSA-N	565.696	3.849	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	35883657	QRDCMAVLQDFTAH-AIGMYPEUSA-N	518.639	3.921	10	40	KHCB	
COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	100359216	GTDBGZNIQONLQQ-MFKUBSTISA-N	529.549	3.903	10	40	KHCB	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)CC2)cc1	100762436	MKVSNMZLLLNHIG-YMLINEMLSA-N	577.732	3.718	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223127571	QNDNOALMGHQPFP-WDYNHAJCSA-N	546.741	3.630	10	40	KHCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	408963115	MSBOHUODLJJBFL-WUXMJOGZSA-N	529.153	3.591	10	40	KHCB	
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972085	IMKVWWMBGZNUHE-AWEZNQCLSA-N	554.504	3.709	10	40	KHCB	biogenic
COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC	150443628	KGPZEFLMGRRXDX-YPVOTUFQSA-N	742.923	3.885	10	40	KHCB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n21	409015297	OMZCYRYOGXHHQB-RYOBIWAXSA-N	609.745	3.687	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F	409400911	VBKZVLWDYVVREB-PDGQHHTCSA-N	520.473	3.612	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6442196	IFZDIFVMSSWCBY-VWLOTQADSA-N	542.665	3.903	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	104090524	QEIALNPKTRAHQP-ZFZZVZNFSA-N	510.532	3.510	10	40	KHCB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)C(=O)N(C)C1=S	164431795	QPQUDGKBIVHMOA-UHFFFAOYSA-N	662.243	3.802	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)cc1	408949957	CRPGPWCYNTTZCD-IZZDOVSWSA-N	517.142	3.786	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	408982598	IENBLQWZTRPXPL-YVLHZVERSA-N	531.359	3.628	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409095201	GSXSRMFRSCCMJB-RJFKIUDMSA-N	632.724	3.728	10	40	KHCB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409190716	QACFPDOEJRLEIB-UDWIEESQSA-N	503.536	3.630	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1	409265736	OHJWTYDLPBKGFW-HMAPJEAMSA-N	557.559	3.783	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC)c(I)c3)SC2=S)cc1	409343137	GCHDHKVRWJIKBQ-YBEGLDIGSA-N	526.377	3.855	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccc(F)cc1	409362532	HPIQFHFSXVGANO-ODLFYWEKSA-N	554.328	3.978	10	40	KHCB	
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777986	UJMPXOGECPZMJP-CVXCTGKVSA-N	576.719	3.969	10	40	KHCB	
COc1ccc(/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	9310599	WRDDSBNNEXAZEF-PXLXIMEGSA-N	511.559	3.665	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O	100455627	YIJIYLQDFWDMBF-WUXMJOGZSA-N	594.530	3.921	10	40	KHCB	
COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N/c2ccc(I)cc2)C1=O	104219248	HAOZYUBBFVNVND-FYTMPNSFSA-N	519.299	3.526	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1	408798513	FTTBMDWATVNEAO-UHFFFAOYSA-N	547.132	3.935	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409010255	BHLHAZWSCCIXKF-JJIBRWJFSA-N	506.580	3.673	10	40	KHCB	
Cc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	10113397	KXVMKHJJWPXMHM-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(I)c3)C2=O)ccc1Br	408763662	ONKMUBIDOJBZCF-KPKJPENVSA-N	527.112	3.734	10	40	KHCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Br)c1OCC(=O)O	59136131	KDYQSCMHPNZYJS-IZZDOVSWSA-N	509.309	3.732	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(I)c3)C2=O)cc1	100192973	XEESGKNANBKVIQ-WUXMJOGZSA-N	527.112	3.734	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101099800	HUMWITYZDYGYGP-PWRODBHTSA-N	594.317	3.895	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1	101396293	SVGYUUABEQASMF-JZSRTLTASA-N	540.623	3.952	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)c(OC)c1	408752496	IYAQZQYJWSGALU-IGSWSUAKSA-N	526.058	3.916	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1	409254011	CUMBTHNSWPEKDZ-JCMHNJIXSA-N	527.533	3.774	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCCOc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1	15219194	INJOCQGNQIYTPR-KQWNVCNZSA-N	503.467	3.728	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1	41107995	RDQRNRZNJHKFPM-LWSWPZBTSA-N	523.571	3.759	10	40	KHCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408526642	BWRBEHXKANCEMN-VBKFSLOCSA-N	511.380	3.895	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408733464	XYFOKCDJLVCGPH-PZHBDVNGSA-N	526.456	3.736	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408802429	DXTWDRMDZDDICY-KGENOOAVSA-N	501.451	3.627	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1Br	408885687	DWWPLGGKANSTQW-UHFFFAOYSA-N	510.138	3.549	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1cccc(C)c1	408917717	AJVFOIWOKWDEPN-CXUHLZMHSA-N	536.391	3.834	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)CC2)cc1	26110109	XWVXWKRBCBBNIF-LJQANCHMSA-N	526.486	3.893	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408832495	XCCQFQPSOQVTHY-ZJTZAHLKSA-N	601.681	3.921	10	40	KHCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1C	409269949	MMIOATFROLMVEI-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)OC	409346724	NQKQYWAHKJQQEY-WQRHYEAKSA-N	581.466	3.954	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1	409377290	HPCREFVACCITPS-UNOMPAQXSA-N	593.976	3.828	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	97947705	ANIAXZRCYHGYQM-JWGURIENSA-N	579.704	3.691	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1	97964776	BZJSTVABINZXFZ-COGBYSKYSA-N	528.612	3.554	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	100533136	VLVYOFBAIFHLJN-CVGPFBNFSA-N	556.482	3.635	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223659580	CBZAYLNGBYRZAS-RPWUZVMVSA-N	509.588	3.942	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	12436420	KYUIGVWXFNFENU-KQWNVCNZSA-N	513.550	3.844	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCCOC(C)C)nc12	13713701	CADFJQCUOYFEQL-MCRQTXEHSA-N	502.662	3.610	10	40	KHCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)c1	41085233	TZYUFEIKVZJNHE-GLGSTRKCSA-N	514.585	3.771	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	101308675	MTXLUZOIBJNHQD-ZKZDLDBDSA-N	533.591	3.834	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408531291	GQDBLINHAYRGMH-YBFXNURJSA-N	500.463	3.618	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409260283	NXZRVTFMFMGNBP-UHFFFAOYSA-N	508.383	3.632	10	40	KHCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=c1/s/c(=C2/N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	8435028	GDQMKBMLHARBIM-HFBHLYPQSA-N	550.640	3.706	10	40	KHCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1C[C@@H]1CCCO1	97947556	YRWUVKDXYLFERL-VAHWYXDJSA-N	596.756	3.940	10	40	KHCB	
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448638	NPHNYHAJLYBXFH-OAHLLOKOSA-N	543.484	3.842	10	40	KHCB	biogenic
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	408963310	YZOXKOWRSISFDG-SFQUDFHCSA-N	543.432	3.638	10	40	KHCB	
NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409263986	DGWJYAVBXPLAIJ-AWNIVKPZSA-N	602.033	3.505	10	40	KHCB	
CC(C)CN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	1449942	QWHFMHXRTHRICK-PGMHBOJBSA-N	505.669	3.878	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1C	6280317	WBZLWZDIZRGNNJ-DEOSSOPVSA-N	534.686	3.954	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1	22246548	ZDSAJIIPTRORLW-HHHXNRCGSA-N	521.683	3.859	10	40	KHCB	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N\c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	100244919	DNNYNDQWWWDTPP-RXFRQMQLSA-N	527.584	3.918	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	100618142	DFVDCDRRDXVETI-CVGPFBNFSA-N	556.482	3.635	10	40	KHCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409020729	SNUFGCHRCBLRJE-MRSJDWDVSA-N	513.550	3.968	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1	409068988	VDIMITOIHHPODE-CPNJWEJPSA-N	585.388	3.670	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1	409399521	JHKWQBXTAUKCSE-NDENLUEZSA-N	507.930	3.836	10	40	KHCB	
CN1C(=O)C(=Cc2ccc(O[C@@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)cc2)C(=O)N(C)C1=O	1464488	PURCMBSBIWYRPE-HXUWFJFHSA-N	510.761	3.626	10	40	KHCB	
CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCC[C@@H](C(=O)O)N3C(=O)/C(=C4/C(=O)N(C(C)=O)c5ccccc54)SC3=S)C2=O)c2ccccc21	150431141	PUEIGVHXIJEVDA-PJKYKRDSSA-N	720.832	3.939	10	40	KHCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C(=O)NC1=S	408790540	SHQHOOZITHCEHL-NTUHNPAUSA-N	662.243	3.753	10	40	KHCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)NC1=S	408918813	PHSKYZWDGOEEIU-MDWZMJQESA-N	512.756	3.780	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408928068	VNMVKUVSDUKNAV-ZDQFFALBSA-N	505.640	3.652	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)cc2Br)cc1	408938621	LEZBUBAPFSEOQE-XDHOZWIPSA-N	585.388	3.890	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1C	102766427	SFNCSUPUFJDJPQ-DTNFBPRUSA-N	504.616	3.579	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)O	103859313	JNBMHRJGNLWSGX-VGOFMYFVSA-N	568.174	3.740	10	40	KHCB	
CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408694483	ILFFGIPYEPCUOM-DGGAMASNSA-N	512.344	3.882	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c2=O)=N1	409030481	DMEXESNOGSHPOB-ASZNLBCTSA-N	640.162	3.901	10	40	KHCB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	1382367	LCNRMUITNGNWBM-MHZLTWQESA-N	525.613	3.639	10	40	KHCB	
O=C1N=C(O)/C(=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C(=O)N1	33358383	GJTGHHZDFJXOTF-UHFFFAOYSA-N	618.121	3.763	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C	97964398	MWRBQWANXGAFRL-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(I)c1	103860333	FUOQMHSWSRWTQS-KPKJPENVSA-N	529.153	3.591	10	40	KHCB	
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408997512	GWJHKJWXJIJAEW-UHFFFAOYSA-N	507.484	3.617	10	40	KHCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccc1Br	409130091	KIGLTURJGGJIGN-XDHOZWIPSA-N	504.406	3.752	10	40	KHCB	
Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1C	409260649	TZPHAKOREMGMHR-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1	6135890	CYORZKOVWLVFIE-DEOSSOPVSA-N	546.628	3.734	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	14358825	SSKJXNVEHMUVRF-UHFFFAOYSA-N	505.449	3.555	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccco3)C2=O)cc1	408536642	SIELQSMLHSETQY-ATVHPVEESA-N	511.284	3.936	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccccc1OC	409103568	DJAFGVULWUTDGC-ABBNRAPFSA-N	548.709	3.664	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCC	409175401	YQCABFFQZJVHQL-GXDHUFHOSA-N	552.390	3.929	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8399929	DNQFFPJGGLVIMK-NTWBUQQASA-N	575.691	3.763	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccccc4C)cc3)C(=O)N=C2S1	41084052	IFWZANUYHRLVLJ-NEVNILGMSA-N	512.613	3.854	10	40	KHCB	
Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100763804	YYRUTJDPAXHYML-SOFYTKRASA-N	536.635	3.724	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C2\SC(=S)N(CC(=O)O)C2=O)SC1=S	100872338	RGDQDZWKEKVNPO-YZLQMOBTSA-N	616.720	3.716	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223255114	KMNZBWQMQWKICY-KAYWLYCHSA-N	504.704	3.860	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1	408637063	WVGMGJCDCRMGHB-UHFFFAOYSA-N	544.073	3.897	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	408779539	YCXIPOYTAKZOKF-NTUHNPAUSA-N	646.175	3.588	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409256452	LIRZOHFOHOAPAN-STZFKDTASA-N	501.564	3.852	10	40	KHCB	
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6135932	WTFKKOKLHSRQLU-RUZDIDTESA-N	564.712	3.731	10	40	KHCB	
O=C(O)CCN1C(=O)/C(=C/[C@@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	27016873	IYBLIKVKNQMLRQ-GYXHFJGISA-N	516.000	3.628	10	40	KHCB	
CCOC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)SC1=S	101001837	SZUUCTSDPGDOHF-WUKNDPDISA-N	532.731	3.776	10	40	KHCB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(F)cc1	409365982	WVPDEPXBWJUFOF-NDENLUEZSA-N	509.877	3.869	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408730047	DUKAODXIBISOQP-RZXXJPOTSA-N	532.449	3.986	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC(C)C	409409811	XHRJATGNLNQGJQ-YVLHZVERSA-N	503.349	3.640	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2	2640148	MSMVOEFFSLEKMC-UHFFFAOYSA-N	518.975	3.523	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1	408688132	PZJQPVVAUSCVCR-HBMCJLEFSA-N	500.473	3.750	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409194291	ABDWITIBPVOHBI-KQWNVCNZSA-N	527.668	3.795	10	40	KHCB	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O	9427581	RCCIGFNXIBAQMH-FXBPSFAMSA-N	524.668	3.986	10	40	KHCB	
Cc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1	408528630	HYMACFBTWQGQIH-HZHRSRAPSA-N	504.568	3.991	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409108816	WFPKIPPBMGMXQS-KZVLXBEFSA-N	509.075	3.823	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	409178330	MHAACKJKKLJHEN-BOPFTXTBSA-N	506.989	3.837	10	40	KHCB	
COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6135937	DCERGPCBQALRCP-RUZDIDTESA-N	580.711	3.744	10	40	KHCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1	27023101	CKEYGXSNCUOZMS-UOIFGXKSSA-N	511.650	3.936	10	40	KHCB	
O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(O)cc4C(=O)O)cc3C2=O)cc1	33358238	QVSKSIBYVGADEH-UHFFFAOYSA-N	581.493	3.799	10	40	KHCB	biogenic
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	59706559	TVOIALBOBYXRRD-FSSWDIPSSA-N	532.892	3.952	10	40	KHCB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408683303	HTNWACBJSWCOLQ-DSNGMDLFSA-N	532.593	3.544	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409080973	OTOHJIKRZATSES-GZTJUZNOSA-N	519.382	3.870	10	40	KHCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409268134	QHSFMQJYDNEIJC-STZFKDTASA-N	500.467	3.587	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=N)N21	101393998	COTFRWVDCRPRHR-QDLOHUEYSA-N	528.015	3.995	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc(Br)c1OC(C)=O	666843	AEATZUBZTMYDCX-NVNXTCNLSA-N	571.165	3.839	10	40	KHCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	101096730	RVKGAUZOXRPKIF-UQNSKHTCSA-N	544.559	3.981	10	40	KHCB	
N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	102470663	JUIZTIUGPMHXGM-DEGVDWGGSA-N	530.585	3.697	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	103857161	GWYVVFVDHDTMIN-UHFFFAOYSA-N	581.388	3.776	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	150470400	HYLUSWAKLQMGOU-JAORQVBISA-N	715.351	3.779	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)C2=O)cc1	408537544	WEAZFBDHKDYKHE-UDWIEESQSA-N	562.531	3.615	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-]	408741125	OAOFILXTHYCJNQ-WUXMJOGZSA-N	572.109	3.637	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cccs1	408979012	BMDZCPZGMYUJNW-MGSPXPDISA-N	547.658	3.966	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1	59595426	YXFNLQYXADALEU-FYJGNVAPSA-N	519.579	3.729	10	40	KHCB	
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971856	KXOLQGBVBOQHTJ-QGZVFWFLSA-N	571.538	3.944	10	40	KHCB	biogenic
Cc1ccc(Cn2cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c3ccccc32)cc1	101074592	UFRWHQSKRNJQLR-DCAHJCEHSA-N	526.622	3.866	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)c1	408777257	XLZCRIAKWGMYOZ-MKMNVTDBSA-N	599.175	3.800	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(OC)c3OC)C2=O)cc1	408985537	XGPMSJKNIFQTMW-YBEGLDIGSA-N	506.296	3.537	10	40	KHCB	
COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)c1	6905910	LBXOFJWFLDRHDL-MUUNZHRXSA-N	545.596	3.693	10	40	KHCB	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O	8858357	HZVMHPVWEDNUGM-HKWRFOASSA-N	510.641	3.943	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1	8870116	VSUPTDJILCYZMW-BCVDLATCSA-N	509.609	3.580	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377535	ZRJQIIXJJKLKNQ-PCLIKHOPSA-N	536.610	3.930	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC	408723431	UOVRNJDBFUFXEU-AWNIVKPZSA-N	528.755	3.793	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	409093935	BTWYGNCXBTTZDI-ZSOIEALJSA-N	568.389	3.547	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	10301139	IRKJZAMXDGOCSQ-UHFFFAOYSA-N	523.655	3.865	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	97947265	DNDJXFVTDLNSGP-PGMHBOJBSA-N	567.668	3.535	10	40	KHCB	
O=C1/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	97947377	HVIQVOGONICIEH-RQNDZEIBSA-N	534.040	3.529	10	40	KHCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(c6ccco6)SC5=NC4=O)cc3)nc2s1	97964369	YMQNAOJBAAINDI-JTPDXPAISA-N	531.579	3.553	10	40	KHCB	
CN(C)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1Br	103565609	XWGKLORHPMURKM-ZPHNARBXSA-N	503.426	3.537	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408536534	RVAJLAYSQALWCR-KPLVBVSQSA-N	543.488	3.897	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038856	FTLSVAHZLUBUMW-LRUGRNCASA-N	607.729	3.595	10	40	KHCB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409059782	XJHSBKXCSWVOTD-ZMIGGIFCSA-N	538.069	3.677	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccccc3)CC2)cc1	409062056	MRKSKBWENVPYFR-UHFFFAOYSA-N	558.498	3.997	10	40	KHCB	
O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1Cl	409270122	CKWOCCCCYTURSO-UHFFFAOYSA-N	557.582	3.632	10	40	KHCB	
O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S	1831542	RSXRGDYCYWPQBL-HNENSFHCSA-N	535.525	3.737	10	40	KHCB	
O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	13304575	KEMGLYBNPSPUKG-FKBYEOEOSA-N	501.878	3.764	10	40	KHCB	
COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)ccc1OC(=O)c1ccccc1Br	24543606	WZIDRKTUDGYQAH-ZHZULCJRSA-N	516.417	3.895	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1	41077811	ZPRRSJQLENUREB-OUQLGABESA-N	519.004	3.857	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O	101484057	VUSUOUCIDZIQSR-BDTNDASRSA-N	500.438	3.737	10	40	KHCB	
Cc1c(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3	102461507	XDYLHJHSGUUSHU-HZHRSRAPSA-N	515.541	3.644	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1O	150469653	GNSKPKSLINTHLG-QURGRASLSA-N	706.762	3.984	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC	263631872	BAFRERBUBWOTGJ-HSZRJFAPSA-N	556.482	3.635	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	409385829	JTDOZVYZGCCOQS-PDGQHHTCSA-N	566.364	3.847	10	40	KHCB	
CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(I)cc2)C1=O	13562086	GANWEZAUXOECNY-GDNBJRDFSA-N	513.129	3.914	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C	97964399	AMBMQOOMVHFHEG-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336399	KESCJWUBFJOTMD-VAVYLYDRSA-N	542.640	3.576	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	408757196	VVACJNYEHLBRFI-UNOMPAQXSA-N	618.443	3.965	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409011441	GOKPFDIELADXAW-BUVRLJJBSA-N	506.580	3.939	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409092901	XSZYCABHUCQMLF-FHMSYZJOSA-N	560.720	3.721	10	40	KHCB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6135848	APUMUQHNLIJQSC-DEOSSOPVSA-N	550.685	3.736	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1	41085268	RGUCANZDQZJCPR-QNPDVEALSA-N	502.599	3.615	10	40	KHCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	104945467	PVKPFMQVQXNIRY-NQCZSQBNSA-N	542.686	3.772	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(F)(F)F	408678113	BIGBCHXZXFOQBI-WFXMLNOXSA-N	500.473	3.750	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1	408965475	HUZALVWEESEZIO-UCQKPKSFSA-N	504.518	3.941	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1OCC	409192315	CGEIEXUWTHHARN-LICLKQGHSA-N	561.385	3.762	10	40	KHCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(I)c(OCC)c(OC)c2)C1=O	409247239	HAIOGDHRRNCENF-UVTDQMKNSA-N	536.322	3.764	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409253686	GIMABLSBERUNTK-BKUYFWCQSA-N	515.522	3.702	10	40	KHCB	
CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1=O	643555780	BRRJHTZZDKLDRQ-WJOKGBTCSA-N	546.668	3.811	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S	9461254	PWYYKQBLNALOQW-RGEXLXHISA-N	504.678	3.858	10	40	KHCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ncc(Br)cc1Br	13615007	HCMNKGLDUJGNET-XFFZJAGNSA-N	500.534	3.839	10	40	KHCB	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100860274	IZQRMDAQUPPCGA-OQKWZONESA-N	553.685	3.706	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2cccnc2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	101433253	WOEMZIORWGKCNL-ZGOJTZKKSA-N	530.675	3.790	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC(=O)O	408850542	BRGLXJBTIXUOPT-BJMVGYQFSA-N	515.758	3.950	10	40	KHCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1	409216429	IEWTUZZHXNOIHH-WSDLNYQXSA-N	504.518	3.860	10	40	KHCB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccncc2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	101405126	IDLJIICRYFXHEU-ZGOJTZKKSA-N	548.665	3.930	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408856266	JOFJHBUFDXTYMR-VIZOYTHASA-N	613.202	3.889	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409072305	BQYITFXJFGMTPJ-DEDYPNTBSA-N	570.963	3.569	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1OC	409137073	UXKPJPFYNOLABJ-MHWRWJLKSA-N	503.349	3.917	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408853204	ZRPWDMGJQWTAGB-UKTHLTGXSA-N	509.367	3.775	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409076107	XVYBPAGISBHCPF-WOJGMQOQSA-N	530.917	3.922	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	2070090	UIIOWDVPNXHSHN-IVNHJSRESA-N	505.640	3.653	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408849761	YSXPSFSTTAYVAF-RGVLZGJSSA-N	531.477	3.968	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O	408901181	WSTMUVBKFMHKLV-SDQBBNPISA-N	510.138	3.901	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408911002	YBYJSDVPURPPPU-UHFFFAOYSA-N	550.406	3.603	10	40	KHCB	
Cc1cccc(COc2c(I)cc(C=C3C(=O)NC(=O)NC3=O)cc2I)c1	408926797	YNZLTIGYTGGNGU-UHFFFAOYSA-N	588.139	3.533	10	40	KHCB	
CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC	409374621	VECUBHJRFKJYFO-AZZDOICSSA-N	524.311	3.732	10	40	KHCB	
O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)COCCOCCOCCOCCOC3)c([N+](=O)[O-])c1	100736853	QWXPMOXJXQUNKI-WCWDXBQESA-N	506.468	3.721	10	40	KHCB	in-vitro
CCc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@H]3C2=O)cc1	102781320	QLGRXBMXJQLIQF-HNRABGRISA-N	509.562	3.952	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)O	409049180	VLDAFIJLLUGJBY-KPKJPENVSA-N	523.723	3.631	10	40	KHCB	
CCc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1	13557025	QLGRXBMXJQLIQF-NHICWYPXSA-N	509.562	3.952	10	40	KHCB	
O=C1[C@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	18276848	CCVKOSDKZQOJNB-QHAWAJNXSA-N	502.866	3.943	10	40	KHCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@H](C)O1	97947404	YFUVGIFMSIQAEH-RVPYRKDQSA-N	551.694	3.869	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	100235786	NNYAYWCDGBFLAB-VGOFMYFVSA-N	568.174	3.740	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)C(C(=O)OC)=C2C)cc1	408781257	BAMKZDNARFZLPI-TWBKXSQYSA-N	520.582	3.637	10	40	KHCB	
COc1ccc(NC(=O)COc2c(I)cc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	409221041	JVSZGYXZBPCPCA-SXGWCWSVSA-N	556.403	3.815	10	40	KHCB	
CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)cc1	97964434	HTGXSXDOOLSVIC-OQZKWKKUSA-N	542.639	3.727	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccccc1OC	100270116	OOVCUENDXCUZRL-UHFFFAOYSA-N	533.375	3.748	10	40	KHCB	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)CC2)cc1	100762492	JFZXPRGFEWPSIU-RRDPUDRWSA-N	577.732	3.718	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC(C)=O	408761359	IWCFOSUPIZJTEP-SXGWCWSVSA-N	519.373	3.613	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)C2=O)cc1	408901178	WRCNDHYXYKXCHN-YBEGLDIGSA-N	536.322	3.764	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409407478	GDLMDLPEXDHTRN-MOSHPQCFSA-N	518.522	3.792	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1	8995407	AJCSEIYKIPTUJH-RBJSKKJNSA-N	530.604	3.706	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	409381773	WDWZNZUBIDAKTP-UYRXBGFRSA-N	521.913	3.738	10	40	KHCB	
CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	13632141	GFZMRQLELJREOA-UHFFFAOYSA-N	523.655	3.742	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35808492	MJWMREKMZDUMNW-YWWLGCSWSA-N	508.600	3.514	10	40	KHCB	
O=C(O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)O)cc4)C3=O)SC2=S)cc1	101016928	NDZSJIXYDJAGJI-ISLYRVAYSA-N	530.630	3.582	10	40	KHCB	
CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	101394884	QINNSGACPUEUHZ-NWSLSDTJSA-N	533.031	3.981	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1	150391842	XDZURLVJQIQCCJ-AUWJEWJLSA-N	646.175	3.588	10	40	KHCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CN(C)S(=O)(=O)c1ccccc1	224816905	OTGLBOROORIBPB-UHFFFAOYSA-N	523.655	3.877	10	40	KHCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1	408526128	AAOJXFOSOVHCIX-LGMDPLHJSA-N	524.423	3.810	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408784249	UYQSWDQUJAWLOW-VIZOYTHASA-N	660.202	3.731	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	409062472	VIOHYUHYGPURDW-UHFFFAOYSA-N	558.498	3.997	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccc(F)cc3)CC2)cc1	896509	WGSSWAYQHLWFNC-UHFFFAOYSA-N	504.591	3.918	10	40	KHCB	
COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1	2349247	KLAQTESJMFEYSO-PGMHBOJBSA-N	521.668	3.639	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(Cl)cc1	103761098	YHIRSYVOINEWNM-UHFFFAOYSA-N	542.782	3.837	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408983099	KKSWIENDFPURBR-CHHVJCJISA-N	507.326	3.919	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409185563	MNXGGQBNVIDUKQ-HMAPJEAMSA-N	503.486	3.551	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409262293	GONBSSZQFOKNBX-BOPFTXTBSA-N	529.478	3.695	10	40	KHCB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	8858048	KQNLSXXVJAWOKL-QUWSGOTNSA-N	505.669	3.799	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1O	1416631	DAXVLOBHOJHTNO-XNTDXEJSSA-N	526.377	3.942	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N21	20206313	PCKYFZQEIVALHG-YZQMTWDLSA-N	519.004	3.809	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336518	VWCKWMXBUHPCEO-AMGIVPHBSA-N	532.670	3.624	10	40	KHCB	
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCSc3nc4ccccc4s3)CC2)cc1	101461892	CYBQIBFUHRPUFT-UHFFFAOYSA-N	563.709	3.551	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408527828	ACRMUNPZUYZLOD-VCQCOGNXSA-N	513.462	3.889	10	40	KHCB	
COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O	409242967	XCTMJDWDTAIBIG-NDENLUEZSA-N	532.416	3.969	10	40	KHCB	
CN(C)CCN1CCN(c2cccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)c2)CC1	585133931	DTWCTIFJLHLNII-UHFFFAOYSA-N	505.569	3.895	10	40	KHCB	
Cc1ccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2I)cc1	59139483	SLRWPMQKCSPJBV-UHFFFAOYSA-N	506.365	3.777	10	40	KHCB	
C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1	225952203	RYZHYZMVVDSENN-NHCUHLMSSA-N	509.724	3.882	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1	408795528	CIMYVRBJCGXMOE-SRZZPIQSSA-N	518.438	3.757	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	408897216	IJCFHPWWXBWLGI-FYJGNVAPSA-N	503.486	3.827	10	40	KHCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O	409107965	ULRDQNBKIUNKLN-WQRHYEAKSA-N	529.391	3.598	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	13592053	PQXYMPXKSMRAQF-KWTBFXGESA-N	518.639	3.921	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1	100863841	AIIYYEQKUIEHBS-QUWSGOTNSA-N	549.678	3.935	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O	408531676	LDSBBKPPLCMFAH-HMMYKYKNSA-N	561.458	3.765	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)c(OC)c1	408943794	MCHUMFOZLUIWED-UDWIEESQSA-N	532.505	3.656	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(OC)c3)C2=O)cc1OCC	409192217	VSYLPZMQWPDAEJ-CXUHLZMHSA-N	580.375	3.855	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1NC(=O)c1ccccc1	409219027	ZTHGBIFQLJKRSG-UDWIEESQSA-N	507.344	3.918	10	40	KHCB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1Br	409339322	HGXNBIXDZQCSBE-LICLKQGHSA-N	537.413	3.556	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6353959	KYDRIHZQXYQUSP-XSZPGNIMSA-N	500.624	3.654	10	40	KHCB	
Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408689539	SCDGDNDEAYSJCL-VWPQPMDRSA-N	525.399	3.802	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408784470	SWDSGKMDGSMAIE-LFYBBSHMSA-N	605.566	3.837	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	408833946	XPOSXEANDFMXKK-BIWBSIMWSA-N	571.655	3.913	10	40	KHCB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1	3378955	RDXRVWVTKLALGW-UHFFFAOYSA-N	533.610	3.976	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	12628078	UVIKIVFXOVHGJR-UHFFFAOYSA-N	501.826	3.982	10	40	KHCB	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(Br)cc3)c3ccco3)CC2)cc1	16953896	FCWCHUZKHUSAPZ-QFIPXVFZSA-N	520.449	3.893	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19940634	LNZWHIMAVSBYTG-HHHXNRCGSA-N	529.645	3.949	10	40	KHCB	
CN1C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C(=O)N(C)C1=S	104882219	XMUZWFTWYBHQAN-UHFFFAOYSA-N	542.411	3.810	10	40	KHCB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)cc1	225766436	LBLGONMFVSMHPD-SANMLTNESA-N	509.628	3.814	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1	12480910	WXMNOLHALBOSGP-DFHRPNOPSA-N	530.604	3.706	10	40	KHCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	100947794	HYPSXSLGNWWVRX-MHWRWJLKSA-N	515.751	3.762	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccccc1OC	408992106	ZOVZJOYLLUPVFG-GKTKDVHMSA-N	571.655	3.943	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409070396	ZCXYYPLHWIVUDG-CPNJWEJPSA-N	512.927	3.783	10	40	KHCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C(=O)NC2=S)cc1	409384996	HFQXDNMUKJFARR-XDHOZWIPSA-N	506.536	3.959	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3cc(C(F)(F)F)ccc3Cl)C(=N)N21	20211450	QQJHZTVLMGNCTE-HZTIQVEDSA-N	501.899	3.771	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	105497656	OKOXLJIVPCAACV-SUAMDDGLSA-N	565.692	3.670	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2=O)cc1	409380319	CGTNQBDWUNXTPA-LFVJCYFKSA-N	515.522	3.778	10	40	KHCB	
COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	10113339	MCRAEACYDZLYDF-UHFFFAOYSA-N	523.655	3.660	10	40	KHCB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1	101186792	VXNLBGIIEMZSIZ-GDJNFKMVSA-N	519.564	3.525	10	40	KHCB	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc2)C[C@@H](C)O1	97957702	HMUBCAIHRVVUDL-VKZCOWOKSA-N	563.698	3.854	10	40	KHCB	
COc1ccc(N2CCN(CCCNC(=O)CCCCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1	102755172	FLDDBTUVRIGCKQ-UHFFFAOYSA-N	567.712	3.685	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)C(=O)NC2=S)cc1	408740370	FWIUCMLDLHNPMX-WUXMJOGZSA-N	590.180	3.741	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)n(CC)c(=O)n3CC)C1=O	408534225	PTFFRDQYCOPVRO-GHRIWEEISA-N	526.391	3.747	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408725315	HASCOZIKELQXLC-XGLZOBASSA-N	586.626	3.843	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OC(C)C	408868960	QSWQPJKOJFPBOX-JYRVWZFOSA-N	524.286	3.893	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	408923222	ATLPKXYOTDMJCB-UHFFFAOYSA-N	539.654	3.565	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(C)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18249815	IIMWVQCRKUTPNA-TZRRMPRUSA-N	509.514	3.867	10	40	KHCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)c(O)c(I)c1	104660400	WYUIANLPBPPSRP-UHFFFAOYSA-N	540.091	3.745	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409095542	DAXZANVNIXJMLW-OWXSRONMSA-N	602.698	3.714	10	40	KHCB	
O=C1/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	2252614	YVKLDOMXPBOVAG-BKUYFWCQSA-N	546.634	3.523	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1	6245090	YBCNJOREIIQJGH-VWLOTQADSA-N	542.665	3.903	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	97947267	XFTWQPPSACJMKW-RGNNIMSVSA-N	565.696	3.849	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408724809	CPTSQHLORAVZBO-SRKIZSPNSA-N	668.351	3.937	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408887482	QZMNCZOZLAHLKI-UDWIEESQSA-N	676.441	3.829	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1	408887554	RPFUDZXWOWVPDJ-FYJGNVAPSA-N	504.470	3.866	10	40	KHCB	
CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408991502	XVRDLEMCTWHFCT-PBMMVTTKSA-N	505.640	3.653	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OCC(=O)N1CCCC1	409264561	MGHCAHVZMQUTDX-WJDWOHSUSA-N	546.452	3.912	10	40	KHCB	
Cc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	13612481	KCHQMHGSMFOVBR-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101089314	FSEJPJGBAJGQPC-WZOBNIDESA-N	542.621	3.588	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6077421	CFTXHIRJQUHHQN-OAQYLSRUSA-N	526.638	3.722	10	40	KHCB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	20455899	WUGRFUONCVENSB-UHFFFAOYSA-N	520.493	3.908	10	40	KHCB	
Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c2ccccc21	101038348	WMZFXUUDHPRCCC-DCAHJCEHSA-N	526.622	3.866	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	169680774	DNTXTJGGRYDNDG-NJYVYQBISA-N	549.320	3.986	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3Cl)CC2)cc1	408529428	HTNTYBQPMXPPMZ-UHFFFAOYSA-N	542.057	3.828	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)NC2=S)cc1	408756507	VUUCTKUAYBYUNW-JCMHNJIXSA-N	508.577	3.603	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)NC2=S)cc1	409015244	AZAJDPDPYYEWNW-UDWIEESQSA-N	506.540	3.851	10	40	KHCB	
COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O	409236111	RBRSQOLGPSMYTA-MOSHPQCFSA-N	513.392	3.979	10	40	KHCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	20207175	UHQNFPYBLYNKCW-OEMPCWLZSA-N	512.613	3.853	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)c(OC)c1	59595704	DEWPQYUTZNYTBC-GZTJUZNOSA-N	509.496	3.712	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1	100870516	CPFGELDYLYVTQE-FBHQFGEZSA-N	526.456	3.627	10	40	KHCB	
CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	102618291	JCDCIZUEKPGDHF-FNQHXBGSSA-N	557.930	3.676	10	40	KHCB	
Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	103103414	DYGWZQPJIVFCAH-UHFFFAOYSA-N	528.612	3.733	10	40	KHCB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C	103127668	XGXWCQWEFRROOP-UHFFFAOYSA-N	559.413	3.696	10	40	KHCB	
COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409046073	IOEMAEBJNICBDN-AWNIVKPZSA-N	525.109	3.795	10	40	KHCB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	6195551	YROJZVWQGPCVAU-DEOSSOPVSA-N	534.686	3.954	10	40	KHCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1	105303603	WOOSCHNNLFXZKG-UHFFFAOYSA-N	588.278	3.974	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	408786404	JKLVNMYOZOJPFW-CJLVFECKSA-N	504.587	3.901	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408935952	FGMFVXHEVJWGFL-YBFXNURJSA-N	662.414	3.741	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)c1	408987170	AQLLFHRPJGLKCP-CPNJWEJPSA-N	502.581	3.855	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	409011814	HVFIJBOTAZAPSL-YDZHTSKRSA-N	517.538	3.617	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4131767	KWJBPNILZMJZHI-XPWALMASSA-N	513.477	3.698	10	40	KHCB	
CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	26967132	FBKCZIRZUACWRV-CKDIWJPDSA-N	511.836	3.964	10	40	KHCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)c(OC)c3)C(=O)N=C2S1	97964688	PJCJTHLQWCEYGY-LQDTWPQUSA-N	537.627	3.720	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c(C)c1	409256494	OVDMIBYESHIKBX-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=c1/s/c(=C2/N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	4109334	PLODUNDLHORQPD-HFBHLYPQSA-N	551.628	3.916	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(OCC(=O)O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448354	BQXTVRQTLUHJIV-INIZCTEOSA-N	536.489	3.744	10	40	KHCB	biogenic
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1	409266476	ZEAZACIZWXLWHN-KGENOOAVSA-N	515.522	3.696	10	40	KHCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3[nH]c4ccccc4c3CCNC(=O)CCC(=O)O)C2=O)c(C)c1	20411599	SGYVLKIPDQKRDU-RGEXLXHISA-N	502.527	3.815	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409061884	JOPWLAVEJYPNKT-CSJROMOCSA-N	547.677	3.724	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1C	409273652	ZTSROVOAXBWGTA-UCQKPKSFSA-N	514.494	3.896	10	40	KHCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C	3296883	ZIQYVKAPHFDBGE-SFHVURJKSA-N	513.978	3.879	10	40	KHCB	
CCOc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1	408711014	LUCDCANWTSMIHZ-UHFFFAOYSA-N	553.681	3.955	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cccc(OC)c1	409062499	VSSIYRNKNRXUKJ-MKWGYRPRSA-N	517.651	3.716	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1	409257924	USMUGVQHPHPTAU-UYRXBGFRSA-N	563.950	3.819	10	40	KHCB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	13632772	QPRVGKOIQWRYMN-UHFFFAOYSA-N	523.655	3.742	10	40	KHCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408692636	RHHVXGXUJUKTNK-WOJGMQOQSA-N	560.344	3.973	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032047	IOJAGDSQFVRFGQ-ZDZYTSRMSA-N	658.571	3.577	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)N1CCCC1	409347911	OSPKTHJPWYMNOS-UYRXBGFRSA-N	517.654	3.694	10	40	KHCB	
CCOC(=O)c1c(C(=O)OCC)c(C)n(/N=N/n2c(C)c(C(=O)OCC)c(C(=O)OCC)c2C)c1C	16940029	QSYZFBIYNBLDPE-OCEACIFDSA-N	504.540	3.909	10	40	KHCB	
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222868	XORIDJKUIPWNDH-HNNXBMFYSA-N	508.479	3.995	10	40	KHCB	biogenic
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)C2=O)cc1	100241290	SLKUJDYKYRRGEI-YBEGLDIGSA-N	536.322	3.764	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)c1	408787888	ANFXCJFBUQOMTE-MKMNVTDBSA-N	646.175	3.642	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1O	409094739	FWFDOPTWBRLQAE-WEVVVXLNSA-N	533.105	3.979	10	40	KHCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)N3CCOCC3)c12	409148242	XYSJIDZNCXEDBY-XKZIYDEJSA-N	506.653	3.859	10	40	KHCB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O	409349135	UPKIABJDYCAXEZ-LICLKQGHSA-N	537.413	3.556	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409361341	CMUUSDWWVQPAKR-JAIQZWGSSA-N	581.940	3.958	10	40	KHCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NCCCOC)c12	409133481	LYGOLHVCXICHMI-UOIFGXKSSA-N	501.674	3.737	10	40	KHCB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1	10113209	JPNXALCAXUJATA-UHFFFAOYSA-N	521.639	3.960	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100415575	SEINZSSVZMCFNK-RJGXRXQPSA-N	512.474	3.607	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8399930	DNQFFPJGGLVIMK-XKGHIZKOSA-N	575.691	3.763	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@@H]3/C=C/c3ccccc3)C(=O)c3ccccc3C2=O)cc1	105330004	XIGLDBCHPWVDID-LFIOHCGCSA-N	521.525	3.899	10	40	KHCB	aggregator
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)C1=O	408536586	WTMFVGZJHOTWLM-LTGZKZEYSA-N	504.568	3.937	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408694625	KXQWOJKUOMUJRK-VCHYOVAHSA-N	590.370	3.981	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	13626319	LQJBRCPEMVKYGQ-MUEKUWCCSA-N	509.609	3.581	10	40	KHCB	
O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	13649278	KMEIYNXXSLRIPM-UHFFFAOYSA-N	518.010	3.827	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	111461146	PPKZFPXETZHBLZ-DKOMQPSQSA-N	586.508	3.644	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223207380	LWMIOUMVVBFELA-SVBPBHIXSA-N	533.698	3.971	10	40	KHCB	
COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1	6074970	XCIOCBLGMNHEHK-LJAQVGFWSA-N	556.667	3.966	10	40	KHCB	
COc1cc(OC)cc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1	18067958	NKQBDCJKUPTWJP-VJBWXMMDSA-N	501.466	3.538	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	19973160	DIYIMEIMWQGIIB-VWLOTQADSA-N	501.635	3.807	10	40	KHCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	408530627	MULDDMZYOCAJBZ-ZDLGFXPLSA-N	565.389	3.732	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4cccc5c(N6CCCCC6)ccc(c45)C3=O)C2=O)cc1C	408536683	XHBOWZPJIUBSPG-XQNSMLJCSA-N	537.576	3.714	10	40	KHCB	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1	408536984	YQMZEYAPCGQGGJ-CAPFRKAQSA-N	569.437	3.867	10	40	KHCB	
COc1cc(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)ccc1N1CCCC1	643566757	VMEVMWCYMLZUCZ-UHFFFAOYSA-N	534.701	3.987	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	97947690	RZNYHFYDTXCMJB-MOHJPFBDSA-N	579.748	3.966	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)O	103589199	JGYSWLDORCEMJO-WLRTZDKTSA-N	523.723	3.549	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1	408729765	CQBCEUSVQIOWLY-UHFFFAOYSA-N	540.741	3.966	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccccc1	13893460	IAMLBGXEAVLCKS-UHFFFAOYSA-N	503.349	3.739	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	19940586	GHXYUSIMEUROQG-MUUNZHRXSA-N	521.625	3.792	10	40	KHCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1	20206266	UWNVDRXNEUTUES-MLDLNWIHSA-N	519.004	3.727	10	40	KHCB	
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	100540427	PVJGGZJIFKRDDO-ATVHPVEESA-N	516.651	3.784	10	40	KHCB	
CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	102795264	JCDCIZUEKPGDHF-QIRYFQOFSA-N	557.930	3.676	10	40	KHCB	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	216459326	HOBRPWFXKVYVBL-UHFFFAOYSA-N	520.493	3.908	10	40	KHCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1	225485996	NRYQLLPJNDFGGX-UHFFFAOYSA-N	520.699	3.969	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)O	408763336	PDEKKMAABJISQF-AWNIVKPZSA-N	615.174	3.501	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OC	408872016	JCCCIIUOBSKFEC-WQLSENKSSA-N	510.259	3.504	10	40	KHCB	
CCOc1c(I)cc(/C=C2\SC(=S)NC2=O)cc1I	408899769	QSICWQNTEDMBLO-UITAMQMPSA-N	517.151	3.783	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)O)c1	409399114	FYJRVFDVEXHNMA-NDENLUEZSA-N	503.467	3.732	10	40	KHCB	
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409399500	JFGHCLIFTVADOH-ZEVOCZHWSA-N	524.165	3.613	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1C	6280337	SLTSGYGFOKYHJY-JOCHJYFZSA-N	522.675	3.810	10	40	KHCB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC	10113524	AIQQFQYELAZHJD-UHFFFAOYSA-N	509.628	3.816	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)c1	408781725	DFQVIJQZXRNNLX-MKMNVTDBSA-N	552.175	3.958	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC	409173036	KUMQVHIWGPPRAQ-BOPFTXTBSA-N	551.440	3.946	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2c(F)cccc2F)c(C)n1-c1ccc(OC(F)F)cc1	3396064	XNOUOLDAPZAJDY-UHFFFAOYSA-N	528.480	3.678	10	40	KHCB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	101395954	YTGSCQYFQNIVCJ-QVKWDTFWSA-N	542.639	3.800	10	40	KHCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	103858530	IDEDHCAYDHDTQA-LFYBBSHMSA-N	558.566	3.995	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	103806020	DSJRGTCQKVDASN-UHFFFAOYSA-N	571.552	3.906	10	40	KHCB	
Nc1ccc(OC(=O)CCCCCOC(=O)COCC(=O)OCCCCCC(=O)Oc2ccc(N)cc2)cc1	247660298	RZBSWKBGLPFLRD-UHFFFAOYSA-N	544.601	3.586	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OC	408754878	SLTKCFVERKLVGB-DHDCSXOGSA-N	538.363	3.538	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)C(C(=O)OC)=C1C	408867765	NHKPOHQDZLKZQV-UDWIEESQSA-N	550.395	3.550	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccc(Br)cc23)SC1=S	409129150	FNMBHYIGRKHMGE-OSSOMXAKSA-N	538.489	3.547	10	40	KHCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O	409227721	VRTBOAPLWGTRFE-UHFFFAOYSA-N	505.914	3.796	10	40	KHCB	
COc1cc(Br)c(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC	993498	ZAVDJNNFNNPXTO-NTUHNPAUSA-N	529.128	3.532	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1	8968687	OITJCTUFFUSGHR-HKWRFOASSA-N	526.684	3.926	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	103857080	ZWIYXOGMLZSBSO-UHFFFAOYSA-N	533.400	3.724	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)O	408760854	AFZBTQBMDYDGQM-AWNIVKPZSA-N	523.723	3.549	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c(C)c1	409211249	LIHRUGQDCGMQDF-LPYMAVHISA-N	504.518	3.860	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408991520	YDLPYUKDVRJOKL-DYCDSJFESA-N	601.681	3.952	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409054833	GVEAVBNJTOHMTQ-PXLXIMEGSA-N	515.522	3.778	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409061883	JOPWLAVEJYPNKT-ABBNRAPFSA-N	547.677	3.724	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCC(=O)O	408751612	ALDLZOXYPCGQJQ-AWNIVKPZSA-N	568.174	3.658	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1cccc(F)c1	409398793	CRMAMZUTABYCLQ-ODLFYWEKSA-N	557.319	3.909	10	40	KHCB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1565524914	XLCWKYBXMKQINL-OUTSHDOLSA-N	522.605	3.689	10	40	KHCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)ccc1C(=O)OC	103920262	KXMSTJLSHBCMLO-BKUYFWCQSA-N	522.539	3.521	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408771846	JNSARJQFNPJVMM-OQLLNIDSSA-N	507.724	3.711	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408778478	GFJMQKCQCUHLPC-MYYYXRDXSA-N	516.550	3.856	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccccc1Br	408881022	JXOJXGOSNUGJKA-UHFFFAOYSA-N	587.233	3.946	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409107017	PSESKURDXOQPMO-MBXGISOLSA-N	551.112	3.594	10	40	KHCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1	409108682	YMLSGEOBUAKGQM-KGENOOAVSA-N	512.544	3.505	10	40	KHCB	
CCN(CC)c1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409311247	DZHUZFXGKXJTAZ-LUAWRHEFSA-N	524.490	3.738	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	2156446	JICUQZNLMIVTEY-KEBDBYFISA-N	523.954	3.975	10	40	KHCB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NCCCN4CCOCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1	100763224	NNMUBRFDZQVHFD-KQWNVCNZSA-N	549.722	3.847	10	40	KHCB	
CCCCn1c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2cc(S(N)(=O)=O)ccc21	103088202	NOJDKBMPXFFLEE-UHFFFAOYSA-N	548.646	3.990	10	40	KHCB	
O=C(O)COc1c(Br)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408967730	XIAFPSXWAKCKPK-AWNIVKPZSA-N	650.017	3.946	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc2c(c1)OCO2	409164555	KDUSFCBAIFFOQO-AWQFTUOYSA-N	536.474	3.747	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409379911	BVMRDTBGUXDUJL-MTJSOVHGSA-N	550.911	3.941	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223127640	QNDNOALMGHQPFP-URLMMPGGSA-N	546.741	3.630	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC	408803256	MZGMAWGLMIMSPQ-OQLLNIDSSA-N	520.323	3.982	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1	6135850	XHOGANZLTGTNFN-QHCPKHFHSA-N	538.649	3.866	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	20572173	PXQRJQIMERHEPB-WVQWTBLQSA-N	508.600	3.514	10	40	KHCB	
COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(I)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	97969556	LLTUOZVOQWYSGY-BKUYFWCQSA-N	607.360	3.967	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1Cl	101146360	OTLIQPJADGCCBJ-PERRAXLGSA-N	541.033	3.624	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	408779196	BQZRILKCJIEVHQ-CXUHLZMHSA-N	598.777	3.952	10	40	KHCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C(=O)NC1=S	409166311	DIHCZKFKGWAWKO-LDADJPATSA-N	506.540	3.851	10	40	KHCB	
Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c3ccccc32)c1	101058583	CJDOKEQHVBXVHY-DCAHJCEHSA-N	526.622	3.866	10	40	KHCB	
Cc1cc(O)c([C@@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c2c1C[C@@](C)(O)[C@@H](c1ccc(O)c(O)c1)O2	256007880	VWKAFYWVDIOMSL-RWWPUJOKSA-N	590.581	3.988	10	40	KHCB	
COc1cc([C@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O	604405445	SXZZXCRSTVDRPZ-BJKOFHAPSA-N	535.641	3.909	10	40	KHCB	biogenic
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1	4417461	WQVQEUVWTZPCAX-LDADJPATSA-N	546.677	3.792	10	40	KHCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	41077767	XWNLMAUVFKHZAK-MLDLNWIHSA-N	519.004	3.727	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)C[C@@H](C)O1	100900610	BLXRCFOVPGNACL-AKJJSLRDSA-N	598.728	3.623	10	40	KHCB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O	408538261	ZQKZHEKMVFCPQO-RQRFARMTSA-N	501.495	3.864	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC	408868502	ABFWWHXPFXJWHW-GDNBJRDFSA-N	520.323	3.927	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409048595	SLVXBYIHHIQHMC-XDHOZWIPSA-N	597.365	3.984	10	40	KHCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9193780	OBOTURLJNDQZNG-ULZOKRSMSA-N	511.007	3.616	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18181175	VUSUOUCIDZIQSR-FKBYEOEOSA-N	500.438	3.737	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(OCC)c3)C2=O)cc1	100241330	OUKUPMBLORLYDC-YBEGLDIGSA-N	536.322	3.764	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100342410	SFEJQCSZAYJGLY-LJAQVGFWSA-N	551.651	3.686	10	40	KHCB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)NS(=O)(=O)c1ccccc1-2	150387018	KGCFHYFJMUXILO-YTTGMZPUSA-N	702.767	3.857	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C	409096751	LCPARWCMRSUOKO-CIAFOILYSA-N	503.515	3.851	10	40	KHCB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1	6135980	GEAVHRPYBKHNOT-RUZDIDTESA-N	558.664	3.603	10	40	KHCB	
Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3n(c(=O)c12)N=C(c1ccc(O)c(O)c1)CS3	29749737	GGUNMLHUIGCALE-UHFFFAOYSA-N	522.564	3.559	10	40	KHCB	
Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1	96220867	NJSJJTXYNMWFPF-AWEZNQCLSA-N	513.458	3.873	10	40	KHCB	biogenic
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377531	XAQSKJWHVAQNPE-YZSQISJMSA-N	549.649	3.809	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408889772	HAFRTYZAUSGAMM-STZFKDTASA-N	508.577	3.603	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409060846	YOVJTIXHOISKHM-XIJDOWMKSA-N	530.694	3.855	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C	409400969	WRWQHAXXMHOILS-MOSHPQCFSA-N	516.510	3.781	10	40	KHCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778058	DSAZOIMOMQKEJQ-MYYYXRDXSA-N	627.561	3.954	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccc(F)cc1	409399827	NEFIMVIKGHVMIY-ODLFYWEKSA-N	555.316	3.975	10	40	KHCB	
N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	9312540	ZKOMWFPRFCFRPX-ZQCYNNBZSA-N	518.555	3.805	10	40	KHCB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	408804526	ARMYXMUQVHCKPF-MHWRWJLKSA-N	517.332	3.700	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)OC	409399381	HQOKOBLAZJSWDL-DYTQJMLRSA-N	523.767	3.903	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc(C)cc1	41083995	PZGWUHWEBZMJKK-JLFKZYKSSA-N	512.613	3.984	10	40	KHCB	
Cc1c2c(cc(=O)n1CCCN1CCOCC1)[C@@H](C(=O)Nc1ccc(Cl)cc1)NN(c1nc3ccccc3s1)C2=O	98042792	NTZXMLZAKNJKKE-SANMLTNESA-N	593.109	3.987	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	408979886	DGXURZKGTCMLEV-ABBNRAPFSA-N	555.656	3.992	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)OC)c(I)c3)C2=O)cc1	408985474	XAKVLFUAMINDBE-NVNXTCNLSA-N	613.202	3.834	10	40	KHCB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCOCC1	409130081	TYSAEDZSLHDHRZ-GTNUZRKBSA-N	550.500	3.643	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OC	409022786	FIXBEDFKHXXMMO-VGOFMYFVSA-N	526.327	3.669	10	40	KHCB	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3c(C)n(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=N)N21	33356306	BBQGKLAFPMGJJY-XYSYLGEOSA-N	535.607	3.738	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCCOc1ccccc1	101395912	DEAMJADLBLZORG-VZKFJVGXSA-N	542.639	3.800	10	40	KHCB	
Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1)S(C)(=O)=O	222691854	CRCFXHRGCWBSNR-UHFFFAOYSA-N	520.699	3.951	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)c1	408781528	UDFRKXQRXRYBJO-MKMNVTDBSA-N	678.242	3.589	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(O[C@@H](C)C(=O)OC)cc4)c3C)C2=O)o1	409397988	ARIRSOWHFWQQJZ-RIWZNOJBSA-N	521.526	3.507	10	40	KHCB	
O=C1/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	13779217	CXUOWHQWWKLZGL-BWCLHNGZSA-N	504.637	3.637	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)N=C2S1	41084143	RBFPIJJUXCRREO-OLFHAYNOSA-N	502.961	3.571	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408550085	BINRGAQNPRANDK-UHFFFAOYSA-N	620.252	3.929	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C	409213972	VQGQHFHVAJLJJS-RGVLZGJSSA-N	507.478	3.681	10	40	KHCB	
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)C(=O)C(=O)c1[nH]cc(C(=O)OCc3ccccc3)c1-2	1647564	AVADCSIAVBNFKV-UHFFFAOYSA-N	532.530	3.551	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccc(Cl)c1	97964491	RCIVSPVBDVANPV-VBPVLXCYSA-N	532.987	3.579	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S	97965929	OQYXKCRVRIWMKU-JWGURIENSA-N	553.685	3.706	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336521	VWCKWMXBUHPCEO-AJTFRIOCSA-N	532.670	3.624	10	40	KHCB	
O=C(C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccccc2)=NC1=O)N[C@@H](Cc1ccccc1)C(=O)O	252498801	RLNLCKHJWXUTPU-SDHOMARFSA-N	542.617	3.744	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)ccc1Br	408759150	YSTPLOATSKQLQW-VZUCSPMQSA-N	525.109	3.800	10	40	KHCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408766500	RMTOMELMUHFSIB-WQRHYEAKSA-N	586.429	3.872	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409057858	MMJYFQGKVWWCDY-UHFFFAOYSA-N	511.619	3.682	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409062605	XNEHHKGKRZNSJM-QPJBPQEWSA-N	547.677	3.724	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6077453	CTOLJSSSQRKDQG-QFIPXVFZSA-N	522.675	3.892	10	40	KHCB	
CCOC(=O)[C@H](C(=O)C(=O)Nc1cccc(Cl)c1)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	104436857	DBFJSFCMUNLLAG-FQEVSTJZSA-N	543.919	3.619	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409068603	UCBOYXNOEZGASC-LDADJPATSA-N	604.378	3.734	10	40	KHCB	
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972084	IMKVWWMBGZNUHE-CQSZACIVSA-N	554.504	3.709	10	40	KHCB	biogenic
O=C(O)CCN1C(=O)/C(=C/[C@H]2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S	101333818	IYBLIKVKNQMLRQ-CJMVGXJBSA-N	516.000	3.628	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(I)c1OC	409105862	LOFAUQGEZWDQOI-RIYZIHGNSA-N	568.389	3.547	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)N1CCOCC1	409205073	KWIBMSLHFGSXFQ-JCMHNJIXSA-N	514.625	3.737	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1	1287986	DPMZFHMIJWSKBW-UYRXBGFRSA-N	512.060	3.814	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409060424	ZVXCYLZAKPVXQO-UHFFFAOYSA-N	541.177	3.613	10	40	KHCB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccc(OC)cc3N2C)c(=O)n1Cc1ccccc1	4016520	IGMIMYRVAAHSLB-DEDSWAOCSA-N	612.733	3.781	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c(C)c1	6195250	CYGYGBOPOGRLCO-XMMPIXPASA-N	534.686	3.954	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)CC2)cc1	26110120	XWVXWKRBCBBNIF-IBGZPJMESA-N	526.486	3.893	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=O)N=C2S1	41084159	GZJTXWFMRQPUJJ-MKBIQDCJSA-N	508.990	3.632	10	40	KHCB	
CN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(I)c2)C(=O)N(C)C1=S	59139477	CCGLEODTHSWFHE-UHFFFAOYSA-N	510.328	3.608	10	40	KHCB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	150387013	LDJHNKNGRIMYCT-YTTGMZPUSA-N	710.831	3.640	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	409059053	OPJKDWUZWFTYRU-LBKCIFGTSA-N	505.615	3.928	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1O	409148900	UFPOSEDVIHSMKI-RIYZIHGNSA-N	522.364	3.844	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(I)cc1	409339576	WLVRGCLTZPQPOU-CPNJWEJPSA-N	549.390	3.803	10	40	KHCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C	20207463	VKEOZMJFZWXSQE-GHSFWCQGSA-N	514.589	3.711	10	40	KHCB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OC(C)C	96193384	YWGOVZDNQJNHCH-MFOYZWKCSA-N	508.394	3.698	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1	108035848	MPXHGRKYQYXCGY-UHFFFAOYSA-N	544.073	3.897	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(OCC)cc4)C(C)=C3C(=O)OC)o2)cc1	409005830	WUAFJYJMLWVAHS-YZSQISJMSA-N	601.612	3.987	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035856	UJFMPXMBSFCERZ-OGEXXFCLSA-N	637.755	3.604	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1	409254402	XFPHFLVZEAJZLJ-IWIPYMOSSA-N	527.533	3.774	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1	409262513	FPDGVEWPESVJST-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1	409375841	PVMUXDALDVSRQF-HZHRSRAPSA-N	545.548	3.786	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409380386	MEBCBEKQZLOIFK-QNGOZBTKSA-N	573.558	3.564	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)CC2)cc1	22232757	IVEMGSHLYPIUQT-UHFFFAOYSA-N	527.618	3.528	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC(C)C	103844032	QZQUOHGHXRFMGC-VIZOYTHASA-N	564.332	3.872	10	40	KHCB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	408945613	XCTXVNHTMAAJDO-OQLLNIDSSA-N	503.305	3.611	10	40	KHCB	
CCOC(=O)COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC	409338059	CESAMBHRKKBALS-WQRHYEAKSA-N	506.989	3.837	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	409377739	JMXRSIGQAZBBCF-PDGQHHTCSA-N	521.913	3.738	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1	3332240	ZGWMNHJHLNIRLJ-UHFFFAOYSA-N	534.371	3.812	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	9311437	YDLSXMOTGOFNMS-ZSOIEALJSA-N	510.259	3.504	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2C)cc1	13646578	VSAHFYBITPIVJN-UHFFFAOYSA-N	507.656	3.960	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	19973159	DIYIMEIMWQGIIB-RUZDIDTESA-N	501.635	3.807	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C	97964440	LHBYWIQBYPMYPR-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCN(C(=S)NCCc2ccccc2)CC1	100110897	NTRQYFJNBKDTPV-NJNXFGOHSA-N	522.694	3.537	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	103593592	LDBIXRSISRIGMD-ROQGJMCKSA-N	520.980	3.667	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	103859716	SHGNXGMYOUWMIO-MHWRWJLKSA-N	552.175	3.820	10	40	KHCB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408934014	CFOODDWKAIVQLM-VMOHIOPYSA-N	576.900	3.899	10	40	KHCB	
CCc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1	102781313	QLGRXBMXJQLIQF-MMGVRFDJSA-N	509.562	3.952	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038850	FTLSVAHZLUBUMW-FQWZWQHVSA-N	607.729	3.595	10	40	KHCB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl	10113459	YRQCPKMJHPAJIE-UHFFFAOYSA-N	500.448	3.693	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)NC2=S)cc1	408752382	AGWPAFLHPQJILD-QNGOZBTKSA-N	508.577	3.603	10	40	KHCB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCOCC5)cc4)c(=O)n32)c(OC)c1	409056689	HUARLXGEKDRRAN-XGLKJEJJSA-N	596.709	3.728	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409071233	GCBQROBDUZTAMA-XDHOZWIPSA-N	634.404	3.743	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O	409095422	HNOMJXWCULHIPG-IZZDOVSWSA-N	528.755	3.799	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	409184492	YNZXMLWRQXYOQI-BOPFTXTBSA-N	551.440	3.946	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)C(=O)N1	409194683	QOVCYYFKMHWRHU-UHFFFAOYSA-N	505.299	3.587	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	41083941	CEQDVAIXUVTJQS-VHARHKTESA-N	507.597	3.732	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223255158	KMNZBWQMQWKICY-SXOMAYOGSA-N	504.704	3.860	10	40	KHCB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408683307	HTNWACBJSWCOLQ-SDHOMARFSA-N	532.593	3.544	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1Br	408786901	PDBVZWWOSJTESE-UHFFFAOYSA-N	510.138	3.549	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	409386475	LUGSSUIPDBKOLP-PDGQHHTCSA-N	550.911	3.941	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	97964772	GPYVRXWBPPGFGL-OCTOJFLBSA-N	528.612	3.554	10	40	KHCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	103920096	MTDTZOXNTSKBJJ-KQWNVCNZSA-N	577.648	3.847	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408535754	OQSZMLMAZIQGEF-MHBAKHQESA-N	519.510	3.863	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1O	408900800	VDVXPSDEHITDFS-SDQBBNPISA-N	557.138	3.743	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1	8857874	IKOCQFNQFHKPSE-UYRXBGFRSA-N	514.673	3.640	10	40	KHCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1	20206983	LHYTXLCQIBBELX-GLGSTRKCSA-N	514.585	3.771	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)cc1	100137082	PCFIIMSKRNHJST-NTUHNPAUSA-N	574.112	3.576	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	409382943	YTGYFQPECVANPJ-LICLKQGHSA-N	547.427	3.793	10	40	KHCB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	6134430	QCRQJBWNAZJPOX-XMMPIXPASA-N	550.685	3.736	10	40	KHCB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	13670912	CJZVWZBGLLQLSF-UHFFFAOYSA-N	500.020	3.688	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	97947735	MVKDUEMPLDPMGF-QSSXUJFUSA-N	565.696	3.849	10	40	KHCB	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971957	YABLIIOAHUGJDP-CQSZACIVSA-N	554.504	3.709	10	40	KHCB	biogenic
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1	103851044	JQCKVHDRRWIGCR-WEVVVXLNSA-N	547.143	3.730	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)OC	164469592	PHPCKDFNLVNPIH-OVCLIPMQSA-N	629.201	3.671	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	408765613	WTEVUZWPDCCPBI-GZTJUZNOSA-N	531.359	3.765	10	40	KHCB	
O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	409076489	AVSGMLHIPNBWFN-UHFFFAOYSA-N	556.079	3.570	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1	409381226	SKSRIRSXXNSEAE-NDENLUEZSA-N	550.911	3.941	10	40	KHCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1	2338678	NEUUVLPONBCYEE-AFDUHFSSSA-N	505.669	3.717	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1Cl	101394483	FFVOCGDELJTUMA-VZKNCDIUSA-N	549.030	3.818	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	102074614	IHCSDAIKBHWQPP-JCPAQKOXSA-N	555.472	3.553	10	40	KHCB	
Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)c2C)ccc1Br	103129153	NLZTVZLAYCGRKI-UHFFFAOYSA-N	524.371	3.594	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(Cl)c2)cc1	113625499	AEAHHWKXWULQGM-UHFFFAOYSA-N	530.046	3.697	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408534646	MMDDRAOIPSHVHD-FPCHUYOQSA-N	531.521	3.873	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(N)=O	409226331	VAGODIWVUGVBHV-LFYBBSHMSA-N	557.184	3.685	10	40	KHCB	
CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	409409183	UBZGNPVMRFCIDV-FMNVXAMXSA-N	503.349	3.640	10	40	KHCB	
COC(=O)[C@H](CC(C)C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1565524644	QHRZREPJQBQDFC-CUNXSJBXSA-N	502.615	3.882	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409095548	DAXZANVNIXJMLW-ZMIGGIFCSA-N	602.698	3.714	10	40	KHCB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1C	409259957	IIFWQXFAQBAFQH-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2	103857074	MCXNVTINRRRQFE-UHFFFAOYSA-N	533.400	3.754	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408890058	NCTRRTJOSJUSPF-YBFXNURJSA-N	587.404	3.906	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409088949	HTCOPRJSJZAIHL-LICLKQGHSA-N	520.410	3.676	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409371441	CLGTZNQVHDBCSU-VXLYETTFSA-N	523.929	3.930	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O	100925612	JLUNDIVVCWHDNH-YBEGLDIGSA-N	539.729	3.523	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1cccc(C)c1	101394657	SBXRYBJYADGOHA-UDYIERFUSA-N	547.014	3.888	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccc(C)c1	101396844	FGTJHRMZAJPRCJ-MPZQNCSBSA-N	526.596	3.623	10	40	KHCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	102596233	RFNFKFPCOYYTFA-LYPXWFNGSA-N	511.332	3.611	10	40	KHCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223147141	RBEPRYAZIQQWPN-FTJBHMTQSA-N	536.658	3.711	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408785403	YUINXTIFGOIXNP-OENGVYFNSA-N	504.583	3.855	10	40	KHCB	
COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1	409016778	VRRNGRMMJGIOBM-BUVRLJJBSA-N	506.580	3.939	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)o1	409384722	CXKDZJSJMUHCAN-LICLKQGHSA-N	541.310	3.994	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1	409402928	XOYBWAAGFVMXLU-MTJSOVHGSA-N	552.971	3.896	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)cc2)nc(OC)n1	18011000	JJEOBEDUJRNJPY-UYRXBGFRSA-N	573.429	3.776	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c([N+](=O)[O-])c3)C2=O)c1	103846422	PXZRFGKZYPVGMQ-RIYZIHGNSA-N	581.319	3.672	10	40	KHCB	
COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	27020820	YSBMCSOEGXPICE-RXWSAZGZSA-N	508.625	3.695	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408961805	NYZVWQQATRGSDK-UHFFFAOYSA-N	501.992	3.663	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2=O)=N1	409036153	LCDXPKQJGJHYKM-ORVZPOCUSA-N	541.629	3.935	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1	409385570	ANKVHDHGIGPKOM-UHFFFAOYSA-N	523.655	3.552	10	40	KHCB	
COC(=O)c1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1	1616044658	OCEFPCPLLQFZFA-MUUNZHRXSA-N	508.578	3.891	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	6135853	SGCFROTZVRIFFL-QHCPKHFHSA-N	538.649	3.866	10	40	KHCB	
Cc1c(C(c2ccc(O)c(O)c2O)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	16249122	FBVOXXNUZXRYGN-UHFFFAOYSA-N	512.566	3.579	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940622	PTCZUGULBJKOQD-AREMUKBSSA-N	515.618	3.559	10	40	KHCB	
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@@H]3C)c12	61943455	BEMKYKFFBFUIMO-SFHVURJKSA-N	508.619	3.830	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=O)N=C2S1	97964766	ILRPRKLDUVQRIW-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1OC	409243786	UFRVYDFKSKLDGF-YRNVUSSQSA-N	528.755	3.793	10	40	KHCB	
O=C(/C=C/c1ccc(O)c(O)c1)O[C]1C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)=C1O	1560406770	ZKPHQFYHDNTSJP-ZDLWVMOESA-N	675.575	3.909	10	40	KHCB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1	102927801	ZHDRXBDIWZBHPK-UHFFFAOYSA-N	547.633	3.581	10	40	KHCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409266558	ZXSFKNXTYNLFNL-ZHZULCJRSA-N	500.467	3.587	10	40	KHCB	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(Br)cc3)c3ccco3)CC2)cc1	16953898	FCWCHUZKHUSAPZ-JOCHJYFZSA-N	520.449	3.893	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	97964832	PZPVGEGLPVITQC-BTGMWCQSSA-N	540.623	3.870	10	40	KHCB	
CCCOc1c(I)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCC	409338065	CHMGDODJTRJLPG-MDWZMJQESA-N	507.371	3.765	10	40	KHCB	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	13670831	LSOANXOXRZGLTN-OAQYLSRUSA-N	509.628	3.786	10	40	KHCB	
COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21	96115559	WLQICVWKRXDENB-OAHLLOKOSA-N	504.447	3.570	10	40	KHCB	biogenic
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223207333	LWMIOUMVVBFELA-RRPNLBNLSA-N	533.698	3.971	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1	223783463	ZAOLGOCTVZJCKZ-NRFANRHFSA-N	515.676	3.516	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1	408537370	VNTWXOCQRWXURE-GYPNLSDOSA-N	513.462	3.889	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1	408754358	JXIOOHCAHFHCMD-HAHDFKILSA-N	517.563	3.553	10	40	KHCB	
CN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)C(=O)NC1=S	408912366	FLWAAGQYFCZPJO-WUXMJOGZSA-N	622.197	3.870	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409248357	FSCLGALWOZPCPH-MTJSOVHGSA-N	544.520	3.904	10	40	KHCB	
O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(F)cc1	409398427	AUDIERNKCMQFQK-ZDLGFXPLSA-N	555.316	3.975	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409073276	LTRAAUAEDUDOCD-RCCKNPSSSA-N	522.535	3.528	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)cc1	409350024	WWROUSQIYSLRTI-YBFXNURJSA-N	524.532	3.898	10	40	KHCB	
COc1cccc([C@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)c1O	8856534	MNQQJSUXXYLZJS-FJRSXGRASA-N	525.561	3.707	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	3668196	PTWGWWCLDWDZRY-CVGPFBNFSA-N	586.508	3.644	10	40	KHCB	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccncc2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	101345548	YVZIMSNIGZLLKR-FAQZDJIUSA-N	530.675	3.790	10	40	KHCB	
O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1	408552201	IAHJPJAUBBQKPP-UHFFFAOYSA-N	529.199	3.688	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409064111	BQFKVZKSAVXMIQ-LDADJPATSA-N	512.927	3.783	10	40	KHCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	409139238	ALRLUXLMJXLTLI-NHDPSOOVSA-N	528.656	3.880	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl	97962711	SSUQNBHYJKIADW-DJKKODMXSA-N	662.533	3.876	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1	408940186	UNJJOEIWDMYOBA-HMAPJEAMSA-N	501.451	3.627	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	409332360	QJSOGOXOTWVNPP-VIZOYTHASA-N	543.442	3.617	10	40	KHCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OC(=O)c1ccc2c(c1)OCO2	409408804	LQSLHKKCZGOBFY-WOJGMQOQSA-N	507.296	3.858	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(=O)NC2=S)cc1	9353364	HPSSTVJPWAENTK-UQQQWYQISA-N	516.623	3.771	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1Cl	97964443	LELMFGIGYIIEKI-VZKNCDIUSA-N	549.030	3.818	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408806753	BPJABEVLVQYSTE-LPYMAVHISA-N	531.477	3.635	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	408890313	RFZFDQLWUXBMMG-DEDYPNTBSA-N	557.378	3.897	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	409070281	LIJQDSCBNOBLEL-XSFVSMFZSA-N	527.352	3.883	10	40	KHCB	
COc1cccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5cccc(OC)c5)S4)CC3)=NC2=O)c1	975562	OWEWEJWZNJMOIM-BMJUYKDLSA-N	520.636	3.962	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	100526606	CKPIWZTWOTUCQN-PZHBDVNGSA-N	526.456	3.627	10	40	KHCB	
COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	101396431	SFNCDYMBSQHEOB-OCTOJFLBSA-N	528.612	3.553	10	40	KHCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	103867844	GUIZANUXLUAILJ-DHZHZOJOSA-N	515.147	3.852	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(F)cc1	409051929	FFSFTOQUHSQDQM-ZMIGGIFCSA-N	505.615	3.846	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	97947692	FSVFKGHXZDBANT-MOHJPFBDSA-N	579.748	3.966	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	103776859	FXKWVJKZOFVETQ-ABBNRAPFSA-N	541.677	3.667	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408945437	WLMHKCWZNUJSEQ-YBFXNURJSA-N	663.402	3.951	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C2=O)cc1	408990298	WUUAPBCWMHDBRZ-QPEQYQDCSA-N	541.139	3.988	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(N)=O	409194357	AYUICHZCXXRNNO-UHFFFAOYSA-N	501.564	3.698	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	8444229	AGICJWCUHXIDCK-IUXPMGMMSA-N	564.332	3.746	10	40	KHCB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336389	KESCJWUBFJOTMD-SVEHJYQDSA-N	542.640	3.576	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3c(O)ccc4ccccc34)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408730293	FMWNMBKTWTXBCI-GTWFGUSFSA-N	513.619	3.832	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1	409070995	PQHPZSCSLZAFCC-LDADJPATSA-N	500.891	3.913	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1C	409263842	MWAXSFXIHHVVSB-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409265199	RHQYQCHZZCASBI-BKUYFWCQSA-N	544.520	3.986	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409371026	CRCJPEAWIXVKMC-GIJQJNRQSA-N	510.886	3.881	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)c(C)n1-c1ccc(OC(F)F)cc1	3380163	IGRFBHVNKJMWML-UHFFFAOYSA-N	510.490	3.539	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	8451490	NRNAUNILJRBQMG-ZJTZAHLKSA-N	601.681	3.921	10	40	KHCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9293236	YCNQWGQSPHSNJT-FDLDKBQRSA-N	511.007	3.616	10	40	KHCB	
CNS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408538294	KLPGAAZIDCYUFC-LFVJCYFKSA-N	534.638	3.641	10	40	KHCB	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CN4C(=O)/C(=C/c5cc(OC)c(OC)c(OC)c5)SC4=S)CC3)=NC2=O)cc1	96022331	HRQXQAYRBHZWQU-LGBOEXNSSA-N	654.792	3.737	10	40	KHCB	
COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	101043021	IGJLPKRIXHKINO-KOKPDDJTSA-N	533.610	3.785	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1	408869058	RBTWXISEROKMTM-HAHDFKILSA-N	513.550	3.981	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	409071801	SGUPYYKAQIIESM-XDHOZWIPSA-N	572.349	3.791	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(OC)c3)C2=O)cc1OCC	409195182	SBVUJAQLYSSUQM-RQZCQDPDSA-N	591.411	3.771	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1	409362173	GASIGKYVWGHIDD-PXLXIMEGSA-N	503.486	3.908	10	40	KHCB	
O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	25422158	AZMBEOXGKNMWFH-KRWDZBQOSA-N	516.937	3.646	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc2)C[C@@H](C)O1	97957700	HMUBCAIHRVVUDL-RYHJZLJTSA-N	563.698	3.854	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	100115141	SQNBRUYTYSMBFZ-FYJGNVAPSA-N	553.413	3.948	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377532	YIRORIDPUPOLAJ-PCLIKHOPSA-N	535.622	3.720	10	40	KHCB	
COC(=O)COc1ccc([C@@H](CC(=O)OC)c2c(O)c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)cc1OC	108450420	OCXRKMPCTFDADN-QGZVFWFLSA-N	550.516	3.832	10	40	KHCB	biogenic
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)c(OC)c1	408752498	IYAQZQYJWSGALU-YMSBRDKKSA-N	526.058	3.916	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409096731	DXINCFRRDCACNB-LCQSEVKBSA-N	578.735	3.673	10	40	KHCB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)C(=O)N(C)C1=S	103856341	MDETZTLLCHGJIS-UHFFFAOYSA-N	615.243	3.960	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(N)=O	408954556	RJEPMORPPAPZHD-FOKLQQMPSA-N	529.593	3.694	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409380820	AXSLUYBZVLOJAG-HMAPJEAMSA-N	560.519	3.686	10	40	KHCB	
CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl	26967141	FBKCZIRZUACWRV-HMWXGYMHSA-N	511.836	3.964	10	40	KHCB	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccco5)SC4=S)CC3)=NC2=O)cc1	101007481	UPIOJTYUFMVOAG-YJKAXRSRSA-N	568.702	3.694	10	40	KHCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C(=O)NC1=S	408908099	AXTLDRLVGJKLPW-RIYZIHGNSA-N	557.207	3.889	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)cc1Cl	408990376	XFZXCHQDTXPFRN-WCIBSUBMSA-N	527.658	3.533	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2=O)=N1	409034113	HGBBJXKWMGYOPX-ZGOFBEGVSA-N	627.119	3.985	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1	409049454	QXJRPTYTULEYKU-ZMIGGIFCSA-N	505.640	3.652	10	40	KHCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12	409139942	CDUPIQYEIIXWDF-LKMIRHTBSA-N	513.685	3.879	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	6135888	SXWSGAOWVNKUFZ-DEOSSOPVSA-N	546.628	3.734	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	20206006	GUVPOFOKWCNOSV-KMFLQCEESA-N	519.004	3.939	10	40	KHCB	
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2	96114934	HNVZOAHDHSJQIK-CQSZACIVSA-N	504.447	3.798	10	40	KHCB	biogenic
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)CC1	101006859	UZCAQKNKBXPXTH-FXBPSFAMSA-N	535.688	3.766	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	105497652	OKOXLJIVPCAACV-MFCBUNOESA-N	565.692	3.670	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)c(Br)cc21	408534917	RSLKYCCOZYHAGS-NTCAYCPXSA-N	526.391	3.801	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409374433	POWCIEVHSKHZFK-GIJQJNRQSA-N	527.892	3.760	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	13576484	MJWMREKMZDUMNW-MUEKUWCCSA-N	508.600	3.514	10	40	KHCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	103610273	NWNOIVGFIBFZDR-CIAFOILYSA-N	513.978	3.907	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408846367	IYNWGCYTWIOOJS-RQZCQDPDSA-N	531.359	3.683	10	40	KHCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409089771	KDTMTCCIEVKFKL-RQZCQDPDSA-N	552.346	3.683	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1	409227441	YQVDYUUVGFARIB-HMAPJEAMSA-N	500.467	3.587	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409264292	OLPJYCAKNAHYMW-NDENLUEZSA-N	530.493	3.596	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	409374364	NQRSSPYUBHFZDA-VCHYOVAHSA-N	554.353	3.730	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409385885	KTWVKBYNZNSLQE-MOSHPQCFSA-N	560.519	3.686	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2364102	PAEDGAIPTINZSC-SZHLLGMXSA-N	533.679	3.667	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	2644323	TWIXBXWYLYISNO-UHFFFAOYSA-N	512.584	3.893	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	35828114	PQXYMPXKSMRAQF-PUUVEUEGSA-N	518.639	3.921	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c(Br)cc21	408528547	HVUKPJPLGXFKLE-QINSGFPZSA-N	526.391	3.801	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)c1	408852843	JGLQRGWZGLOXRQ-NTUHNPAUSA-N	520.292	3.527	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(F)cc1	409065256	FKIKWKPSTWLBAG-ZMIGGIFCSA-N	505.615	3.846	10	40	KHCB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1	409390171	JVUXJNNJSAMITD-UHFFFAOYSA-N	525.627	3.622	10	40	KHCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	27904006	YKPPPGWNNGMKAS-ZHZULCJRSA-N	508.508	3.978	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c(C)c1	409188603	FKHSPYYKXVVOJG-FYJGNVAPSA-N	517.563	3.719	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C(=O)NC2=S)c(OC)c1	681560	NRVBWTQLTILKBK-UDWIEESQSA-N	519.579	3.949	10	40	KHCB	
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O	8857881	ZVDCQPUCZBRNCX-SYERDGIWSA-N	510.641	3.596	10	40	KHCB	
Cc1c(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3	13689676	XDYLHJHSGUUSHU-HAHDFKILSA-N	515.541	3.644	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1	97964466	GTDCIFHKEIKUMH-UJADIJFVSA-N	519.402	3.649	10	40	KHCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(I)o1	408949815	CJKNTRNDHFLYCC-VMPITWQZSA-N	521.105	3.617	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409062645	YHQUULOCFHITPU-NQCZSQBNSA-N	517.651	3.797	10	40	KHCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1	8765610	SWLKBHIRCOSLPI-BOPFTXTBSA-N	501.655	3.964	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)CC2)cc1	26110608	UVZPUYIRKCKTME-SFHVURJKSA-N	526.486	3.893	10	40	KHCB	
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O)NCc1ccc(Cl)cc1	72320685	OPWAAXALAQXHSW-ZEQRLZLVSA-N	555.119	3.610	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c(C)c1	103587198	KGOSCXZBOUQMCM-FMFOLGPSSA-N	504.616	3.579	10	40	KHCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	409246060	DHYALACRECCXAZ-WUXMJOGZSA-N	518.254	3.847	10	40	KHCB	
Cc1c(/C(=C2\C[C@H](C(C)C)C(=O)[C@H](CN(CC(=O)O)CC(=O)O)[C@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O	606302641	HIEMKKVAUHDMPJ-SUNCYPDTSA-N	760.859	3.812	10	40	KHCB	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1	8442294	KWGPASYYTLEJIW-ZHZULCJRSA-N	506.565	3.974	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccccn3c2=O)SC1=S	8835942	XAYHQAPGTUQOSW-FXBPSFAMSA-N	521.668	3.641	10	40	KHCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br	408741334	LGWRZKKXCVPNMZ-AWNIVKPZSA-N	510.138	3.895	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC	408933616	BCQUSBPZGCPVJT-MHWRWJLKSA-N	564.332	3.843	10	40	KHCB	
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	27530547	UMRWLGKUDUEYLD-XSFVSMFZSA-N	508.625	3.723	10	40	KHCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(C)cc3)C[C@@H]2C(=O)O)SC1=S	256055886	XTDVTKBXHLFTBE-PWTJDBJKSA-N	523.636	3.734	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCC(=O)OC	408859788	ZAKBCTDKJSNQBF-RQZCQDPDSA-N	531.359	3.683	10	40	KHCB	
CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408991501	XVRDLEMCTWHFCT-IVNHJSRESA-N	505.640	3.653	10	40	KHCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O	409229484	PTAKEYUKYOOUQC-UDWIEESQSA-N	519.514	3.551	10	40	KHCB	
COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2OC)cc1	409382408	LUOFHCSSYQQGSK-JAIQZWGSSA-N	596.390	3.856	10	40	KHCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)ccc3Cl)CC2)c([N+](=O)[O-])c1	8832686	QCYUUSKQSYVOHJ-UHFFFAOYSA-N	513.801	3.856	10	40	KHCB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c(C)c1	20206106	NILQVKIHLYABCI-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3C)CC2)cc1	408636002	OFJKGLHWSBIFHP-UHFFFAOYSA-N	535.666	3.873	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OCC)c3)C2=O)cc1	408805718	CGUBNGLWNWDVCP-MHWRWJLKSA-N	564.332	3.542	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409052217	CFYHQCPPMFPBSX-CSJROMOCSA-N	547.677	3.806	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1OC	409239270	CVJINLPUPTUZOE-NTEUORMPSA-N	522.364	3.838	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)CC2)cc1	409369300	KEKGTDYSEGRYTF-UHFFFAOYSA-N	509.628	3.840	10	40	KHCB	
Cc1c([C@H]2C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@H]2C)c(O)c2c(c1O)=C(Cc1ccccc1)C(=O)C(=O)C=2	1560403752	OTPQYBGJCDPNKT-SOKVYYICSA-N	588.612	3.533	10	40	KHCB	
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1	12480872	LDWBCMOCSJBFTC-FUFSCUOVSA-N	526.641	3.875	10	40	KHCB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(C)c1	41077772	UHZMTJMNZXFZKJ-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1Cl	103596408	OTLIQPJADGCCBJ-PEYOBPGZSA-N	541.033	3.624	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2cc3[nH]c(O)nc3cc2Br)C1=O	408527356	DJDLHLUDBKEZDS-YFHOEESVSA-N	535.152	3.681	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(CCc4ccc(OC)cc4)C(C)=C3C(=O)OC)o2)cc1	408851196	ABPSJTCWQNGQOU-OVVQPSECSA-N	615.639	3.635	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1Br	408900856	YCVHQFUAVUGPPK-UHFFFAOYSA-N	526.206	3.714	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1	409070655	OGKDPUGUNLSLLT-NDENLUEZSA-N	527.898	3.682	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	32193829	MKYZVFFITITKBV-BUVRLJJBSA-N	522.579	3.640	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409205604	RHWGIEKUGKFJJJ-DEDYPNTBSA-N	505.017	3.992	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1C	103071432	XBMLWERTDFLDRP-SFHVURJKSA-N	548.617	3.985	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409366288	ZTMAMJFRJSLCRV-BKUYFWCQSA-N	519.485	3.614	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)CC2)cc1	26109609	OPAYAHHPCLPBQN-GOSISDBHSA-N	526.486	3.893	10	40	KHCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1O	104660253	WNOJBSSGDSRKMI-UHFFFAOYSA-N	540.091	3.745	10	40	KHCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc21	408526781	CLKYQCBXDJRCNF-RCCKNPSSSA-N	570.606	3.832	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409106291	RAEOOMPTIJJMEO-YNMQQHPQSA-N	605.717	3.629	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCCOC(C)C)nc12	13713698	CADFJQCUOYFEQL-NFBGKYEXSA-N	502.662	3.610	10	40	KHCB	
COc1c(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70686791	WFPXCOGZJHXMJY-ULJHMMPZSA-N	573.577	3.582	10	40	KHCB	biogenic
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)cc1	102464303	LKMHTRNKYXEYNE-NHQDZBNKSA-N	531.594	3.936	10	40	KHCB	
COc1ccc(N2CCN(c3nc4cc5c(cc4nc3NS(=O)(=O)c3ccccc3)OCCO5)CC2)cc1	103005461	GSZNQHTXYVVXAF-UHFFFAOYSA-N	533.610	3.537	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](/C=C/c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1	105330000	XIGLDBCHPWVDID-FAUDTSBPSA-N	521.525	3.899	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409095203	GSXSRMFRSCCMJB-WPUHHHFCSA-N	632.724	3.728	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409194290	ABBHUWKYWWNRSZ-SXGWCWSVSA-N	558.419	3.807	10	40	KHCB	
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972086	APXVAULLPWAZPI-INIZCTEOSA-N	557.511	3.554	10	40	KHCB	biogenic
Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc(OC(F)F)cc1	103125965	SWCFFWCGFKMSFB-WOJBJXKFSA-N	500.498	3.763	10	40	KHCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc21	408535791	WLNHYDAEZBPJPU-PXNMLYILSA-N	505.375	3.954	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408536889	TUHUKRHFRLOVBF-LQWPAYATSA-N	531.521	3.873	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408883979	VKVVKKSUNJTRTH-RCCKNPSSSA-N	506.536	3.828	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1	409064118	BSRSHSRYAOHEMZ-UHFFFAOYSA-N	580.663	3.547	10	40	KHCB	
Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	13130144	YJFFIXLJYYXWQT-HXUWFJFHSA-N	502.662	3.829	10	40	KHCB	
CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	20206127	BKHQDNNBYACDNX-COGBYSKYSA-N	512.613	3.718	10	40	KHCB	
CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C1=O	104882511	OLGOQJKRJSNZAS-GIJQJNRQSA-N	526.343	3.693	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223127507	QNDNOALMGHQPFP-FQLXRVMXSA-N	546.741	3.630	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1	6135879	GBWCONQHIUWMJA-RLWLMLJZSA-N	572.691	3.727	10	40	KHCB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	20206172	WSIASCDRJHWSCI-LDYHWCGOSA-N	510.597	3.825	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S	100762834	VMLVQMQPMZXNEV-JAIQZWGSSA-N	524.624	3.581	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(OC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	101142615	BPKDILXPVPYCLA-RBZQAINGSA-N	525.513	3.567	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409050648	YCXYORUSDUXUID-KGENOOAVSA-N	503.486	3.908	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O	409238248	MELOWDKHCJIIJK-LFYBBSHMSA-N	528.755	3.799	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC	9187019	SINYDXWFTBZZBY-GZTJUZNOSA-N	506.989	3.837	10	40	KHCB	
O=C1C[C@H](c2coc3ccccc3c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222681	ITEXFJXSZWKXLJ-CYBMUJFWSA-N	500.415	3.830	10	40	KHCB	biogenic
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O	100194906	VRIDCJLVUZMYIJ-SDQBBNPISA-N	512.179	3.757	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC	408775136	ZGTLUPAHXCFKFA-CXUHLZMHSA-N	520.323	3.982	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409049832	XWXDNPDCPOXDRW-BKUYFWCQSA-N	503.486	3.827	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc(OC)c1OC	3865144	TXTKKXROTXGBKC-PDGQHHTCSA-N	502.570	3.641	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6077414	VJZRRKSBACADCJ-HSZRJFAPSA-N	536.702	3.621	10	40	KHCB	
COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)CC2)cc1	223616485	NAQVMHVGQRDJCE-UHFFFAOYSA-N	528.443	3.617	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	408903821	ZXZLLMSQYGWFPG-UDWIEESQSA-N	507.449	3.657	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1	41077809	PFYSHVZFOZBBTE-WUVMMTAUSA-N	504.977	3.549	10	40	KHCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC	100954550	LKBNNNPZDXHSHV-CVHFWEDTSA-N	541.676	3.945	10	40	KHCB	
CN1CCN(c2cc3c(cc2N/C=C2\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C2=O)n(C)c(=O)n3C)CC1	408535394	SNVZIGSROBSNGA-LHLOQNFPSA-N	623.758	3.675	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1	409268010	YQPALQHBVIKJRX-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409381392	GOMCPVPWVHZGKT-XKZIYDEJSA-N	560.519	3.686	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(C)cc(C)c2)cc1	13648460	DVIPTAWTHKGQKN-UHFFFAOYSA-N	507.656	3.960	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=O)N=C2S1	41077773	QHCRQAQKPOPUMP-DHKQOHTGSA-N	519.004	3.809	10	40	KHCB	
O=S(=O)(O)CCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)c3c2O)cc1	225895350	RSXPGGRBHJVMJD-XAHDOWKMSA-N	880.295	3.688	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	409051927	FFSFTOQUHSQDQM-OWXSRONMSA-N	505.615	3.846	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1OC	409134841	PPMHNSRNNSODLY-SFQUDFHCSA-N	503.349	3.917	10	40	KHCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1	409189697	NGIAQDCWSREKAX-LPYMAVHISA-N	502.552	3.582	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	9659406	CYBDYYAQWYUADC-UHFFFAOYSA-N	517.376	3.962	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl	97964734	VTTPLNFEEDVMKP-NJEQYTMISA-N	547.014	3.969	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223693620	YMSDFLJGXVMLHF-BJKOFHAPSA-N	509.588	3.942	10	40	KHCB	
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2	408530331	FAKQHLUBVLYZQK-WQRHYEAKSA-N	582.306	3.906	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(C(C)C)ccc4OC)C3)CC2)cc1	408700081	ASJBMBVGQSMUBS-JOCHJYFZSA-N	515.676	3.577	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	408985641	OFCRAMMBAGYIFB-WQNUKSJVSA-N	571.655	3.943	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409063781	AAWVWBWAVCVTHD-XDHOZWIPSA-N	662.414	3.521	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br)Nc1ccccc1	409373260	GJALSINVFWGXBR-WOJGMQOQSA-N	524.327	3.722	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)OC	409400909	VAUQURCWXWPWKF-ZROIWOOFSA-N	554.191	3.624	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408765374	PFBCBUJJVTUTTN-STZFKDTASA-N	583.600	3.601	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408913093	KPKVHGFYSFBKEM-YBFXNURJSA-N	521.511	3.959	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(c5ccccc5OC)CC4)cc3)CC2)cc1	408920265	DWBSCRYTCHFZFF-UHFFFAOYSA-N	500.643	3.988	10	40	KHCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21	409127449	QCHXTHDSJBBLQS-SCPBCGJWSA-N	538.489	3.547	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	1102937	IGDBZNPNWYJOSX-UHFFFAOYSA-N	534.388	3.934	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)nc(OC)n1	8575655	OBTXGBGIDGTYBI-KGENOOAVSA-N	522.587	3.630	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1	97964830	RUBOGVHFWXOFMF-GQFJHEMJSA-N	532.625	3.623	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I	103859859	RPJOXFNHYFYIHO-NTUHNPAUSA-N	527.112	3.729	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	223580018	ZPTQMFNSLSXHKK-YADHBBJMSA-N	529.703	3.762	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1	409049452	QXJRPTYTULEYKU-OWXSRONMSA-N	505.640	3.652	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	409091305	PGBOUHLLYPUNDN-UHFFFAOYSA-N	572.147	3.735	10	40	KHCB	
O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)SC1=S)c1ccccc1Cl	101016949	TTWLDBLFPIHCCQ-BUHFOSPRSA-N	569.498	3.915	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	408853541	VCXIRUHBDQIOJR-QKSFETHESA-N	505.640	3.652	10	40	KHCB	
O=C(COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccccc1Cl	409253380	FVUNKLZWLDCJQL-UHFFFAOYSA-N	573.650	3.797	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)SC1=S	409388762	WELXNPMXLBQTJV-YHYXMXQVSA-N	575.187	3.580	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C	6442782	RUAYPMBPHMRSQW-DEOSSOPVSA-N	534.686	3.954	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(I)c3)C(=O)NC2=S)cc1	6508324	UETTXSCAIAEQPT-GDNBJRDFSA-N	508.337	3.530	10	40	KHCB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	23242878	UJDVNUWDFPUPAK-UHFFFAOYSA-N	526.561	3.853	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1I	409329386	FNMCEOWKZTUMTC-JYRVWZFOSA-N	502.380	3.908	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	97958993	YTORBKFSVZIGRO-ONUIUJJFSA-N	550.633	3.990	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1	97964719	JOXWOLZCMZHWOL-LUNMECBOSA-N	536.035	3.776	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	97964720	BTRDZERGDUPGCZ-ATKCCKKESA-N	520.434	3.868	10	40	KHCB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	409135896	WJQUAFKOSGZJOH-XKZIYDEJSA-N	511.604	3.565	10	40	KHCB	
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)C(=O)C(=O)c1[nH]cc(C(=O)OCc3ccc(F)cc3)c1-2	1775963609	AHWRZGUMLRCJHL-UHFFFAOYSA-N	550.520	3.690	10	40	KHCB	
COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC	108448822	HUUDGLAACXYPLX-CYBMUJFWSA-N	522.462	3.749	10	40	KHCB	biogenic
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	223165009	JWBQAKNEYMAUNH-FTJBHMTQSA-N	519.671	3.580	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409071063	PWIACWKDVHHIAM-DEDYPNTBSA-N	542.953	3.791	10	40	KHCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1	13749624	KXUDBNOVNCADLV-UYRXBGFRSA-N	501.611	3.637	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35828101	QPDKHCINUNUSBH-LQGLAIQGSA-N	508.600	3.514	10	40	KHCB	
C[C@H](CNCc1cc(I)cc(I)c1O)CN1CCCCC1	48277671	OSZGTJWGSVUBPT-GFCCVEGCSA-N	514.189	3.813	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	408597787	YEWSGADKBNBZAQ-RUZDIDTESA-N	514.047	3.587	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc(Br)cc1	408732565	WYPWUDZVGHVRQV-PZHBDVNGSA-N	526.456	3.736	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409107020	PSESKURDXOQPMO-OKGRRGNVSA-N	551.112	3.594	10	40	KHCB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	409407447	FYYPOUCZCOQUTO-WMHIFLFESA-N	500.423	3.583	10	40	KHCB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	6443994	GWQOJOCVJDQTKZ-HSZRJFAPSA-N	520.659	3.646	10	40	KHCB	
N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	9346094	AGFNGQDUTBDJSS-YJFMCDHMSA-N	518.555	3.805	10	40	KHCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)c1	12625160	PFQCFPZSCAYTQH-UHFFFAOYSA-N	505.556	3.618	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408953223	PFVZXSCKUSFQNS-QGMBQPNBSA-N	642.358	3.972	10	40	KHCB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4)c(=O)n32)cc1	409056412	RFNOOEBLXKGRFD-OGRZUZBBSA-N	517.651	3.796	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3N(Cc3ccccc3F)S(C)(=O)=O)CC2)cc1	59931210	MKFVMMSWVSRGAB-UHFFFAOYSA-N	557.644	3.780	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCCC1	408535742	ZXMWZQBNPSHSQW-NTCAYCPXSA-N	525.363	3.600	10	40	KHCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)c1	408742299	VXNXGDYCSTYGIU-WUXMJOGZSA-N	574.112	3.576	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409056916	FICADYHPIYNJTL-QTTRZTASSA-N	547.677	3.724	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)cc1	409385091	HJLHCUPKRHRDJQ-STZFKDTASA-N	517.563	3.553	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)=O	409398840	DINMTCDSXNVGBK-JYRVWZFOSA-N	510.138	3.607	10	40	KHCB	
N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	9158099	KKBNLYVGOBFIII-ALLGYFEPSA-N	512.595	3.558	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1	12285028	JZYNRIJOCYOYSY-UHFFFAOYSA-N	503.349	3.672	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	19973226	IREHACRDNOZGRQ-RUZDIDTESA-N	501.635	3.807	10	40	KHCB	
Cn1c(=O)c([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2ccccc21	96221232	ZDWWWQHCQQADOB-CQSZACIVSA-N	513.458	3.575	10	40	KHCB	biogenic
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1	408885920	GWTWHJSXOLSXME-YBFXNURJSA-N	541.925	3.991	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1	409068191	HRADVQPVQPXYRP-WOJGMQOQSA-N	527.898	3.682	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409106995	OADJYXDGHBANAY-ZMIGGIFCSA-N	602.698	3.714	10	40	KHCB	
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)c([N+](=O)[O-])c1	20239060	YLFPPZKJDSOEDN-PRZRADHTSA-N	517.545	3.653	10	40	KHCB	
CCCN1C(=O)/C(=c2/s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2Cc2ccccc2)SC1=S	100087491	AUOFJUNTEPPPTR-LTTYQNBASA-N	519.717	3.998	10	40	KHCB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)c1cnccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	100293210	MQMJFPLLQSDYJN-NDEPHWFRSA-N	593.706	3.899	10	40	KHCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	112230105	RSMDVMMIKRGMCU-JLPGSUDCSA-N	523.546	3.673	10	40	KHCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@@H]2C(=O)O)SC1=S	256055823	VMAQVZSRVMHAFK-QUYYUFTNSA-N	527.599	3.565	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OC	409011628	OAGYIUZZAJAYDV-ATVHPVEESA-N	503.349	3.882	10	40	KHCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1	409190979	XOMLPKJEAIYXKZ-HYARGMPZSA-N	517.563	3.800	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC	8819512	PRAFTWYPDIRGEQ-ODLFYWEKSA-N	502.570	3.728	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1OC	9281900	OQXLHQLCIPSKEQ-ILUGDOHVSA-N	513.535	3.985	10	40	KHCB	
COc1cccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2OC)c1	13661445	GSLSBGJMLKYXJO-HMAPJEAMSA-N	506.511	3.807	10	40	KHCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c2ccccc21	102471186	WMZFXUUDHPRCCC-BOJMXSMESA-N	526.622	3.866	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1I	408776822	ZQLCEASMHWLWRD-UUILKARUSA-N	668.634	3.844	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1O	408785886	JGZOSKQQVFUPGA-VZUCSPMQSA-N	525.739	3.890	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408844623	VROGSCYLYWNCMG-PRLWALMFSA-N	631.707	3.930	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2	409398528	BUQZNHUSMHOGTE-GRSHGNNSSA-N	503.467	3.763	10	40	KHCB	
CC(C)OC(=O)COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	409398796	CTDUEZNDZOJVEJ-NVNXTCNLSA-N	632.192	3.688	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1	409399414	IIFUJIQHKKWAST-NDENLUEZSA-N	520.473	3.612	10	40	KHCB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1	6443961	SRBCUXMPESFTPU-QHCPKHFHSA-N	522.675	3.749	10	40	KHCB	
CCCCCN1C(=O)/C(=C/c2c(N3CCC(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	12284896	VXEGDTVLRYQFOD-MNDPQUGUSA-N	514.673	3.865	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408981008	HEJDBMIVJUNJKI-RGFRMHDHSA-N	584.698	3.970	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409062177	PBQRGXHVTRAZRC-QPJBPQEWSA-N	547.677	3.724	10	40	KHCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21	409135027	PIEPVDCCRHMYDQ-UKWGHVSLSA-N	545.484	3.963	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409377826	LDISHDNJERIKJJ-RCCKNPSSSA-N	545.548	3.786	10	40	KHCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3[nH]c4ccccc4c3CCNC(=O)CCC(=O)O)C(=O)N=C2O)cc1	17198347	MXFAQXCELRDYLB-QNGOZBTKSA-N	516.554	3.686	10	40	KHCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	106709880	QPUOCWJQIUCPJK-IWIPYMOSSA-N	553.641	3.888	10	40	KHCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2=O)c1	408532014	PIOYLEHOXBICOF-RCCKNPSSSA-N	504.568	3.991	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(C(=O)OCC)cc4)C(C)=C3C(=O)OC)o2)cc1	409003462	HBFBVGGPVVODNO-YZSQISJMSA-N	629.622	3.765	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	409074046	RPNZXIUDLNMVBH-DEDYPNTBSA-N	500.891	3.913	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409226904	WFEUGLVIWCJPNA-FYJGNVAPSA-N	500.467	3.587	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1OC	409269353	HSAODUZKMRCZEP-NVNXTCNLSA-N	611.243	3.540	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S	2399945	XFDDVISNLRNXOQ-QNGOZBTKSA-N	528.681	3.637	10	40	KHCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C(C)C)c2C)cc1	3361451	AZSCUUHHQGEVNA-MHZLTWQESA-N	556.637	3.603	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)c(C)c1	408774775	XIPJQDSDXLDXJK-AWNIVKPZSA-N	662.243	3.807	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409045665	GXGZEKHNIONHBN-YBFXNURJSA-N	642.362	3.892	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OC(C)C	409193663	KXIWIIWBFIQCJK-OVCLIPMQSA-N	519.373	3.774	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	409338720	OYAWLHWCCUSRNA-IDUWFGFVSA-N	585.397	3.986	10	40	KHCB	
COC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409400210	QNNIGGYDRDFPOO-HOXUKUGESA-N	554.191	3.622	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CSc3nnc4c5c6c(sc5ncn34)C[C@@H](C)CC6)CC2)cc1	929647	MSSKOFFNJHFMML-INIZCTEOSA-N	508.673	3.913	10	40	KHCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223147091	RBEPRYAZIQQWPN-CLJLJLNGSA-N	536.658	3.711	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409365677	VSEYJBXOVMAKCU-HYARGMPZSA-N	533.512	3.917	10	40	KHCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	9293674	DEWVEOAKBDJTOB-KXYLLZDBSA-N	504.616	3.525	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	409180212	XCWQZTNGDLUUSC-GZTJUZNOSA-N	598.440	3.788	10	40	KHCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c1	409269766	DMFYOGPSBPYGRG-WSDLNYQXSA-N	532.530	3.964	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccccc1F	409400108	OVWGSUYQCBSYAA-BOPFTXTBSA-N	555.316	3.975	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100755814	OTVHCOQIQJOZIG-QJOMJCCJSA-N	549.722	3.563	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1cccc(C)c1	101393690	JYKDTCVWCGSYAB-JTPDXPAISA-N	549.030	3.736	10	40	KHCB	
CCN(CC)c1cc2c(cc1N/C=C1/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C1=O)n(C)c(=O)n2C	408534154	VBRVURAOBIRVHI-SSZFMOIBSA-N	569.460	3.681	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC	408985385	WQUNLGGGJUBTDR-CHHVJCJISA-N	507.326	3.919	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1	97964470	WUUKXIPPMLARTH-YXZMWACZSA-N	537.392	3.788	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)OC)c(OCC)c3)C2=O)c1	408854974	BNVSPOIGKCMCID-LICLKQGHSA-N	638.411	3.706	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	409056519	RRLWYHUZCHHGGB-OGRZUZBBSA-N	517.651	3.716	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c(O)c(OC)c3)SC2=S)cc1	409332627	QREUGBYKRCAPOP-OQLLNIDSSA-N	542.376	3.560	10	40	KHCB	
COc1ccc(CC(=O)N2CCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C(=O)N(C)CC2)cc1C	643568318	XZYCEDURWORECV-UHFFFAOYSA-N	557.691	3.967	10	40	KHCB	
Cc1cc(C)cc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	41077777	QMMQMXLYGBWTPE-OEMPCWLZSA-N	512.613	3.773	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OC	408982946	JABUFMNURUGVJF-YBEGLDIGSA-N	520.323	3.927	10	40	KHCB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)cc1	409062079	NBDLREUHBUCFLH-KDSDTBODSA-N	549.718	3.745	10	40	KHCB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)oc2N2CCOCC2)cc1	100913012	OBMUBVXYQSPUBX-AQTBWJFISA-N	531.637	3.647	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	164457693	VQPMNEIUZBQKFK-LFYBBSHMSA-N	697.017	3.788	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223658248	RDICOPNTZCNLKC-ZEQRLZLVSA-N	509.588	3.942	10	40	KHCB	
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)O)c(O)c3c2O)c(S(=O)(=O)O)c1	299888529	NHYIWNJJZPFRTF-UHFFFAOYSA-N	778.646	3.885	10	40	KHCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408531827	RSDOTTPFTUBSTL-WQRHYEAKSA-N	518.389	3.972	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1	408801476	AXKUVLZAEHSFGL-CXUHLZMHSA-N	536.322	3.762	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408832595	RPZXSVBHTYWQQX-FUFNRSNVSA-N	601.681	3.921	10	40	KHCB	
NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br	409224142	KUOWHAPDSHHXNI-UHFFFAOYSA-N	520.339	3.897	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)cc1	100797694	OEVISYPPXCHPMW-PBMMVTTKSA-N	540.085	3.924	10	40	KHCB	
O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1	409053271	BPXXSZQJTJPLDS-UDWIEESQSA-N	520.885	3.932	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1	97964469	ZSHQRUJYTMDCPI-JXFDPVBFSA-N	537.392	3.788	10	40	KHCB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	408535416	SPLKYIGXZBGNIJ-JXAWBTAJSA-N	556.408	3.800	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408778127	BMTVNRGCPQMMAD-HMHHDILKSA-N	504.583	3.794	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1	409260767	WBBQXWLLBLHWLC-HMAPJEAMSA-N	557.559	3.783	10	40	KHCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1	1170150	YHICMAPXDLCTJK-GZTJUZNOSA-N	500.248	3.711	10	40	KHCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)cc3)C(=N)N21	20207326	JOFUGHLXEDYQMS-COGBYSKYSA-N	512.613	3.934	10	40	KHCB	
CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	33355643	UWFBBPJDKXCKEQ-ZHZULCJRSA-N	532.500	3.650	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291865	OVXJRWZCDBBFEK-CPNJWEJPSA-N	531.977	3.976	10	40	KHCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)c1	103842189	BBCPHBSMBXOQSP-KPKJPENVSA-N	531.100	3.712	10	40	KHCB	
COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N/c2ccc(I)cc2)C1=O	104219257	HAOZYUBBFVNVND-SMIQVMJNSA-N	519.299	3.526	10	40	KHCB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N(C)C1=S	164431674	DWADKOMOSURMKL-UHFFFAOYSA-N	663.231	3.982	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(=O)O	223186487	IZCJOZULSNNSQV-CLJLJLNGSA-N	519.671	3.882	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408733463	XYFOKCDJLVCGPH-FBHQFGEZSA-N	526.456	3.736	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)O	408775678	JWXRMHXJDONWCS-LZYBPNLTSA-N	517.332	3.594	10	40	KHCB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC	408917401	TULBQISOAICFCB-RIYZIHGNSA-N	526.327	3.669	10	40	KHCB	
COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O	408983949	OUOASUIEKKTSSE-MLPAPPSSSA-N	512.687	3.634	10	40	KHCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1C	409259072	ZKZQZJFJNJYFQU-STZFKDTASA-N	514.494	3.896	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1	6135981	CYORZKOVWLVFIE-XMMPIXPASA-N	546.628	3.734	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)O	9891799	NGIGDVWUVQLXFH-SXGWCWSVSA-N	517.332	3.540	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1cccc(C)c1	20207318	ZTGBLKOCXGWSAH-RQUXIJKASA-N	512.613	3.982	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N[C@](C(=O)OC)(c4ccccc4)[C@@H]3C2=O)cc1	100422016	FOPBPMHDNXUDOV-YYZJCXNBSA-N	513.594	3.670	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(N)=O	409226476	SYUMQBGWVBRWAG-CIAFOILYSA-N	641.418	3.799	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)c(Cl)c1	9308988	XUURBTCDPDHEPC-FOWTUZBSSA-N	505.756	3.518	10	40	KHCB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18266859	NAEAGECPLDSEMC-RJGXRXQPSA-N	514.921	3.994	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1O	103859335	SXTSGKWKJOOABK-NTUHNPAUSA-N	557.138	3.824	10	40	KHCB	
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1	409187536	RPJMSWVCDNCTOH-VCHYOVAHSA-N	503.374	3.611	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(F)cc1	101396888	XOXNXYXMHFUNIY-FORMPUQESA-N	544.586	3.843	10	40	KHCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	409373417	RVPNQLUCUGBWMC-VCHYOVAHSA-N	572.311	3.823	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)cc1	9259923	IGPNKOYCLXZTCE-NTUHNPAUSA-N	510.138	3.982	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1OC	101017365	QGWHAEVMIBRNJA-OZNZCJATSA-N	539.635	3.589	10	40	KHCB	
CN1C(=O)C(=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N(C)C1=S	164431554	ZGSJPZZYKWTSBY-UHFFFAOYSA-N	663.231	3.982	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	409370388	PZIPWCSCDIIKNQ-LICLKQGHSA-N	547.427	3.793	10	40	KHCB	
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	13514599	NSENLBKHVGWLHW-KYYPIKSYSA-N	504.593	3.834	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103856619	KZBWQLWRCHQHAS-UHFFFAOYSA-N	520.361	3.544	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408861900	FCDWYYUHHXLQNY-OXRZLYTFSA-N	595.313	3.982	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1	408888987	AGCPYQGFMACBHC-DEDYPNTBSA-N	504.470	3.866	10	40	KHCB	
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	8456239	AYXXBVBPZIVJQO-RGEXLXHISA-N	526.958	3.728	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	9113764	OKJJCIIIZFLWTN-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	97947266	XFTWQPPSACJMKW-BNDVRQRFSA-N	565.696	3.849	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	103845164	GUGUTYCPHXDOFG-NYYWCZLTSA-N	524.121	3.615	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1	408964392	GRPKLKRFGHUOJW-LDADJPATSA-N	501.255	3.887	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1	409219228	KHWAUTVHUDQVHG-HYARGMPZSA-N	533.924	3.811	10	40	KHCB	
Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1ccc(O)c(O)c1	12716663	JYEAGNYBOJLFRH-MHZLTWQESA-N	515.614	3.878	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccc3c(c2)OCCO3)cc1	100330029	XKZYZKSMHWNESG-VIZCGCQYSA-N	632.121	3.900	10	40	KHCB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	408754672	WZGMLRIPZIPUCK-JCAJYURWSA-N	546.874	3.890	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)N(c2ccccc2)C1=O	409020694	SDIIFDHKOLKIOD-ULJHMMPZSA-N	501.539	3.906	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409054616	AMQTWHJPMOJECE-ABBNRAPFSA-N	547.677	3.806	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c1	409260060	KBKIXYCXAQTWOQ-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	4131848	GOJVYIANGUBDLN-HKBOAZHASA-N	502.866	3.943	10	40	KHCB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	57316875	IJGJKFBBUWHDGS-VZUCSPMQSA-N	521.618	3.778	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(CCN(C)C(=O)c4ccccc4)cc4c(c3OC)OCO4)C2=O)cc1	70672233	YOKIOQFYIOXONB-ULJHMMPZSA-N	555.587	3.967	10	40	KHCB	biogenic
COCCCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97947084	QCDVZYZPAOAAKX-PTGBLXJZSA-N	549.722	3.563	10	40	KHCB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	408981406	BCXSNLLDMKHXRP-MHWRWJLKSA-N	520.323	3.927	10	40	KHCB	
COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6135843	CRRKPVWEHZOZCH-VWLOTQADSA-N	564.712	3.731	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C	97964429	MXMWTMDDCAZPIS-MZLPUNMDSA-N	549.030	3.736	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408535544	OBYOEMNLYXNGEE-IFGSHVPTSA-N	518.522	3.684	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408725831	KYZBSMYPSXSCDG-CRCYZHLCSA-N	541.629	3.935	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1cccs1	408982821	JTYNMYUANSSNLQ-WLPTYJMBSA-N	547.658	3.996	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)O	409049731	YCCFXLRDBQJBDP-NYYWCZLTSA-N	544.141	3.894	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409372243	DBNOMHIUIYNEBE-VXLYETTFSA-N	615.380	3.881	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409380430	MXQDGKRCDARNMB-ZHZULCJRSA-N	561.522	3.695	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	409403721	ATYPLBLLSOHDGX-UNOMPAQXSA-N	522.355	3.937	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	6245086	WYAQPQURHDAGQX-QHCPKHFHSA-N	520.659	3.646	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972026	OSHQGFKHGSYSRA-HNNXBMFYSA-N	524.478	3.700	10	40	KHCB	biogenic
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	409222507	DKDVQSIIRBWUON-XCVCLJGOSA-N	503.125	3.831	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4F)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4131759	KWJBPNILZMJZHI-VJBWXMMDSA-N	513.477	3.698	10	40	KHCB	
N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101104635	UEJVNBYXOKGDPC-FNSVQNJISA-N	528.388	3.577	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	103850561	VVIIFDSDFDBIJA-CXUHLZMHSA-N	535.322	3.595	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1	223783517	ZAOLGOCTVZJCKZ-OAQYLSRUSA-N	515.676	3.516	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)c2C)c1	408966499	LYUAAKMYLDLKKP-HYARGMPZSA-N	517.538	3.954	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409070126	KPSCLAUUMYGACV-CPNJWEJPSA-N	512.927	3.783	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br	409073078	XCQBMVZTTYIEPK-BJMVGYQFSA-N	558.566	3.995	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c(C)c1	409264766	QAAJGNZOXMSWMN-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)=O	409400552	TVTNWDCUMGXMGG-ZROIWOOFSA-N	524.165	3.997	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2059975	CDNBMOAUSBKNKY-FCYPAOMHSA-N	533.650	3.570	10	40	KHCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C(C)C)SC5=NC4=O)cc3OC)nc2s1	97964685	UPTPRECNUISXFV-MBRQZNNDSA-N	537.627	3.576	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)cc1	100797696	OEVISYPPXCHPMW-IVNHJSRESA-N	540.085	3.924	10	40	KHCB	
N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101119453	WHMAOEBGQATEMW-ADZLKVMLSA-N	524.002	3.787	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(I)o1	408853176	ZDZIHZFSKJGAAC-BJMVGYQFSA-N	521.492	3.967	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1	409065561	TXYITTKUFLZYLW-MOSHPQCFSA-N	527.898	3.682	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	19996376	ZZZRRSLLBHPBBF-JWGURIENSA-N	519.696	3.936	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	100676557	YPQCUAMGKLLNMC-PCCBWWKXSA-N	549.320	3.986	10	40	KHCB	
COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1	100862689	HBLBCRFVKDUDMJ-JWGURIENSA-N	535.695	3.948	10	40	KHCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	103920232	JAJNBKCCDQHFMX-BKUYFWCQSA-N	522.539	3.521	10	40	KHCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl	408784978	WLONOVQSDMADNW-VZUCSPMQSA-N	572.739	3.645	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408991521	YDLPYUKDVRJOKL-WLNFRNCRSA-N	601.681	3.952	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	658285	YTORBKFSVZIGRO-YZSQISJMSA-N	550.633	3.990	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	59930192	FFSTZNVDOPWQND-AREMUKBSSA-N	558.100	3.986	10	40	KHCB	
CCN(CC)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1	100336526	FNVGVPGGOREEIZ-YZNIXAGQSA-N	555.683	3.738	10	40	KHCB	
O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)SC1=S)c1ccc(Cl)cc1	101016956	PJFBPTHBGMEDJG-BUHFOSPRSA-N	569.498	3.915	10	40	KHCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCO)C[C@@H](O)Cn3c4ccccc4c4ccccc43)ccc21	102416269	MLCNDDCJZHMZJU-HXUWFJFHSA-N	554.624	3.614	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)OC	408786986	PITADAZEBJARRL-OVCLIPMQSA-N	537.750	3.719	10	40	KHCB	
COc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(OC)cc5)S4)CC3)=NC2=O)cc1	839130	VPUDXKWBIQYNHI-BMJUYKDLSA-N	520.636	3.962	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	100073190	PTWGWWCLDWDZRY-YJADQXIJSA-N	586.508	3.644	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	409401381	XOETXWBVQSCILN-JYRVWZFOSA-N	560.129	3.756	10	40	KHCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	20206262	ANPBFRNQHYXXAK-WMEYRTBOSA-N	519.004	3.727	10	40	KHCB	
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC	108448078	JTFABHZPGOHJJO-CYBMUJFWSA-N	522.462	3.749	10	40	KHCB	biogenic
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408531306	PIFYQXRPZACZQQ-YVLHZVERSA-N	504.362	3.582	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408775970	LJKOAALJLSSUTL-LFYBBSHMSA-N	652.566	3.679	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409252668	UNWWLUQZHLUZLA-MTJSOVHGSA-N	544.520	3.904	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	35828113	PQXYMPXKSMRAQF-AIGMYPEUSA-N	518.639	3.921	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	97966417	MFVMVQAPIVWRJX-XQNWCSQWSA-N	577.703	3.969	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br)Nc1ccccc1	408949353	HSUYVTDBKXKAOT-VCHYOVAHSA-N	564.348	3.862	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409338880	QCYGKFAXXWAFAA-GIJQJNRQSA-N	567.439	3.564	10	40	KHCB	
O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	2221198	KZWBLHDEBPMJQA-QTISIFFUSA-N	522.944	3.956	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	103858787	NSXHFZRCCAOHTN-OVCLIPMQSA-N	537.750	3.719	10	40	KHCB	
O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1)N1CCOCC1	409019285	YPDYZLXUGOSGIP-UHFFFAOYSA-N	527.602	3.673	10	40	KHCB	
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O	100859946	FDHJNUYJOBIUJB-WZXUKSHNSA-N	540.022	3.846	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1	409054519	BBLMHUREQFWZMZ-OGRZUZBBSA-N	517.651	3.716	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409092903	XSZYCABHUCQMLF-OXWVMCNISA-N	560.720	3.721	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409097764	NLWATLLLEHSRII-WPUHHHFCSA-N	632.724	3.728	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(OC)c1	409272142	OWVBLSBASTVEJH-NDENLUEZSA-N	516.597	3.787	10	40	KHCB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)CC1	9361178	WBJCBWOVXHOKIJ-QOCHGBHMSA-N	519.696	3.670	10	40	KHCB	
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1	12480879	LDWBCMOCSJBFTC-GIGWZHCTSA-N	526.641	3.875	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccc3c(c2)OCCO3)cc1	100330024	XKZYZKSMHWNESG-YZNIXAGQSA-N	632.121	3.900	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408636478	QVKKRTAHVFHKJI-UHFFFAOYSA-N	515.676	3.684	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	408851622	DNHOPAPLELUJBP-VCHYOVAHSA-N	500.935	3.964	10	40	KHCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCC(=O)N3CCOCC3)SC2=S)c1	409100117	PXLDRMSYOOHDSH-XDHOZWIPSA-N	563.451	3.791	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc([N+](=O)[O-])cc1)OC21C(=O)c2ccccc2C1=O	9071817	PEILBUQASSSWGA-NJYVYQBISA-N	502.866	3.943	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	100863834	ADQJCNSCAYRTPV-PGMHBOJBSA-N	549.678	3.683	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1	101130228	FUAMBEDWPHCSAE-VXNXHJTFSA-N	509.514	3.867	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	408783908	QNIFWABTJXYDCI-WUXMJOGZSA-N	527.658	3.528	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032045	IOJAGDSQFVRFGQ-CJIXEESDSA-N	658.571	3.577	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccc(F)cc1	101396132	JYQAKLFXQQGCRV-MTBZJLAJSA-N	544.586	3.701	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1C	103071437	XBMLWERTDFLDRP-GOSISDBHSA-N	548.617	3.985	10	40	KHCB	
CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12	105352955	WGYDTAQIOQULFD-VQHVLOKHSA-N	564.653	3.686	10	40	KHCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(I)cc1	408550643	IQZBECZXJQFJAI-WQLSENKSSA-N	501.708	3.827	10	40	KHCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	408868717	AYINYPUJJOKGCQ-VXLYETTFSA-N	520.369	3.922	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6135840	MWZIVTPNYWSJPZ-DEOSSOPVSA-N	552.676	3.862	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	223580066	ZPTQMFNSLSXHKK-FGZHOGPDSA-N	529.703	3.762	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(I)cc1	408911048	MPXRGNDYDXPZAN-VGOFMYFVSA-N	542.782	3.789	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(F)cc1	409065252	FKIKWKPSTWLBAG-OWXSRONMSA-N	505.615	3.846	10	40	KHCB	
CCOC(=O)[C@H](C)Oc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1	409400337	OREQJXSYJSLZDN-PVFDWLMNSA-N	535.553	3.897	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	103757695	ZYXAIGQDJGECMF-UHFFFAOYSA-N	532.584	3.755	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408773362	UZWOCOXYGZIPQK-AWNIVKPZSA-N	666.593	3.767	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408904696	NFDYFZKQUJXWOS-UHFFFAOYSA-N	580.400	3.566	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)OC	408985716	YAQDCTGEYQSBCM-YVLHZVERSA-N	531.359	3.628	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1	409263066	LKQRWBFYZZOOFV-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	25422163	AZMBEOXGKNMWFH-QGZVFWFLSA-N	516.937	3.646	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	103858471	HNOXZFSWEMSHOC-OQLLNIDSSA-N	552.175	3.820	10	40	KHCB	
O=C(CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1	408987077	AESZTAXTSMOTFF-CPNJWEJPSA-N	502.508	3.992	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409192081	UNSNZMTXWITHEY-ABBNRAPFSA-N	571.655	3.911	10	40	KHCB	
CCOCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	97967321	BSMAJDYWNVDVMJ-RELWKKBWSA-N	553.685	3.788	10	40	KHCB	
CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	102618299	JCDCIZUEKPGDHF-XVYOSBKQSA-N	557.930	3.676	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(C)=O)C2=O)c1	408538021	YNHYFMJJMYHARY-CHHVJCJISA-N	538.148	3.812	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC(C)C	408811409	VLPKSZOMCQCEJB-VIZOYTHASA-N	551.293	3.662	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408831452	NZYWFUXNGJCEJD-ZJTZAHLKSA-N	601.681	3.921	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1	409382002	XCJHLTPDVWPXCP-NDENLUEZSA-N	521.913	3.738	10	40	KHCB	
CCOC(=O)COc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409401384	XUJOOIMFYWPHTN-GDNBJRDFSA-N	523.767	3.905	10	40	KHCB	
O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1	9763595	QYMRNHYNTVEJSN-UYRXBGFRSA-N	510.528	3.804	10	40	KHCB	
CN1C(=O)/C(=C/c2ccc(O/C(=C(\NC(=O)c3ccccc3)C(=O)NCCO)c3ccccc3)cc2)SC1=S	97947159	XUUSQHIJIYZBFF-ZFGFSJIBSA-N	559.669	3.804	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408816026	QRRJYVHLBDMTQI-RGVLZGJSSA-N	518.438	3.757	10	40	KHCB	
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1	33916531	QRQZGETZEPHMNF-OAHLLOKOSA-N	515.408	3.875	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1	41084071	QEUYTRTXPGTEOT-OEMPCWLZSA-N	512.613	3.773	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(Cc4ccc(C)cc4)C(C)=C3C(=O)OC)o2)cc1	408878001	ZYHKVEBDHUCIJA-WGOQTCKBSA-N	585.613	3.892	10	40	KHCB	
O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1Cl	409249372	HNJSAJNGHWHISL-UHFFFAOYSA-N	573.650	3.797	10	40	KHCB	
Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	13675717	MNPPUEUICFXLAK-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1	43766956	UJXRVGKHBXEYSS-AIAVXMCLSA-N	505.534	3.670	10	40	KHCB	
O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1	105353239	RLDFEOUYIAVQMB-DUXPYHPUSA-N	587.983	3.878	10	40	KHCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCN(CCNC(=O)CCN3C(=O)/C(=C\c4ccccc4OC)SC3=S)CC2)C1=O	150418167	JQUYPYCNFHIRNQ-PLNZPELQSA-N	739.967	3.847	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(C)=C3C(=O)OC)o2)cc1	409010661	CVSSJISQDHNKIB-NLRVBDNBSA-N	585.613	3.627	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC	409101270	XQTCTPSRDNPUDV-YWRNMLBISA-N	530.694	3.712	10	40	KHCB	
O=C(COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1	409220202	ZFINZFCNLCIKEQ-UHFFFAOYSA-N	557.582	3.632	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6077447	VJZRRKSBACADCJ-QHCPKHFHSA-N	536.702	3.621	10	40	KHCB	
COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1	103008996	NKQBDCJKUPTWJP-YTFSRNRJSA-N	501.466	3.538	10	40	KHCB	
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2	108450928	YLHHCCBVNKFBIW-CYBMUJFWSA-N	520.446	3.503	10	40	KHCB	biogenic
COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C(=O)O)o2)c1	408631081	BVOIOCDWQBQZKH-SRZZPIQSSA-N	527.559	3.632	10	40	KHCB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408754669	WZGMLRIPZIPUCK-JAORQVBISA-N	546.874	3.890	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408783235	MTAVRHDKPMPNSC-OVCLIPMQSA-N	660.202	3.813	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408832599	RPZXSVBHTYWQQX-PRLWALMFSA-N	601.681	3.921	10	40	KHCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(OC)c3)C2=O)cc1	408899384	OWCJVZPAMJIXRD-YBEGLDIGSA-N	536.322	3.851	10	40	KHCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)NC1=S	408912583	RBFDIFWGUIREJC-RIYZIHGNSA-N	512.756	3.780	10	40	KHCB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4)c(=O)n32)cc1	409056409	RFNOOEBLXKGRFD-ASSGYOTOSA-N	517.651	3.796	10	40	KHCB	
CC1(C)C=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O	1554503134	HGKQCMQWMRXLOP-BZZOAKBMSA-N	578.691	3.753	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3I)c2)SC1=S	4482421	GIFHAIIHAQEGSN-OQLLNIDSSA-N	525.345	3.796	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	19973227	IREHACRDNOZGRQ-VWLOTQADSA-N	501.635	3.807	10	40	KHCB	
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(N3CCOCC3)=NN12	41084464	CUXLGQIJECIUTB-ZLLSNJOHSA-N	500.584	3.629	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408786690	URVYKCPGFYAVCB-OQLLNIDSSA-N	554.724	3.553	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccccc1	409399685	LUWIEFPSTLLDSX-UYRXBGFRSA-N	539.329	3.770	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	97947294	OLAFOUKPRBFKGJ-XUVWKZFSSA-N	565.696	3.849	10	40	KHCB	
CCN(CC)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1	100336538	FNVGVPGGOREEIZ-PDDLMNHVSA-N	555.683	3.738	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408852029	PZSAKNSSZURSDE-WSDLNYQXSA-N	572.437	3.788	10	40	KHCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1	408908403	CGEUYHTYZZEAAT-NYYWCZLTSA-N	531.075	3.565	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c2=O)=N1	409034231	MWHSBWOXGBZCGI-CMISJSSVSA-N	555.656	3.992	10	40	KHCB	
NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	409227409	YFTDLYYKDIGYBW-FYJGNVAPSA-N	550.365	3.559	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409373479	TYPUNZNQEAYGLJ-GIJQJNRQSA-N	602.337	3.832	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccccc1F	409400234	QSUBWXLDQGHSKE-ATVHPVEESA-N	557.319	3.909	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21)NCc1ccco1	883668	YVFDPAXICLMQTK-CIAFOILYSA-N	502.527	3.521	10	40	KHCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777979	KTVDEJUVDNFNOY-XOASYVKCSA-N	562.692	3.580	10	40	KHCB	
Cc1ccccc1CN1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1	32914580	BBDJIINIESGOAM-UHFFFAOYSA-N	524.599	3.758	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100148028	SWCYMEANQQCZJY-BHIFYINESA-N	532.892	3.952	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)c(OC)c3)SC2=S)cc1	408605141	XAHXLCHEDBVJLT-NDENLUEZSA-N	516.597	3.580	10	40	KHCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409068180	KJYCTMSDLYCUBD-NIJSQZSCSA-N	536.657	3.711	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409266523	ZJWUJXVWMKLOLX-UHFFFAOYSA-N	599.834	3.584	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)N1CCCC1	409352320	YEDLBXILHJPQPX-JCMHNJIXSA-N	541.651	3.641	10	40	KHCB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(C)CCCN(C(=O)CC(C)C)c2ccccc2C1	643554497	KQYGJJVSCYTRBM-UHFFFAOYSA-N	522.690	3.889	10	40	KHCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1	9762450	BOVVKHMURGNSMB-CXUHLZMHSA-N	500.535	3.951	10	40	KHCB	
CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	41077780	ZMWBDFIFUATETN-COGBYSKYSA-N	512.613	3.718	10	40	KHCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccccc1I	408550946	KWDDJENNXPXZGZ-NTMALXAHSA-N	501.708	3.827	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1OCC	408943068	XYDDOZNGCFOWQT-PCLOCDPPSA-N	601.681	3.921	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3OC)c2=O)=N1	409046622	RWWGDOHBEXNVIS-QKSFETHESA-N	505.640	3.653	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1cccc(F)c1	409399395	HWBNHNKYBDZOST-GRSHGNNSSA-N	510.865	3.866	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1	6135842	CDWAZZXTMIZMJL-DEOSSOPVSA-N	534.686	3.723	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1	8995412	AJCSEIYKIPTUJH-UFHPHHKVSA-N	530.604	3.706	10	40	KHCB	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	9461585	BAGGBOZHXYOIAL-UEXNTNOUSA-N	502.662	3.610	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Br)c1OCc1ccccc1	101393921	QWKKAUABKRMVOJ-UYAJQHSGSA-N	549.428	3.658	10	40	KHCB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccccn2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106021642	HOCXWTZDICZVGY-AOLGGSBGSA-N	548.665	3.930	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409049767	YKFVZHKMUACQSX-LFYBBSHMSA-N	525.109	3.795	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccc(Cl)cc1	409218056	CMYPYYGYAIBWMV-FYJGNVAPSA-N	520.885	3.932	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1	9892467	IGPNKOYCLXZTCE-QPEQYQDCSA-N	510.138	3.982	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	20572400	QPDKHCINUNUSBH-WVQWTBLQSA-N	508.600	3.514	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1O	150469658	UVNJEQSBUQFISC-QURGRASLSA-N	706.762	3.984	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC	408795492	CGXUVVVDPSAQIM-OVCLIPMQSA-N	504.293	3.821	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1Cl	409338693	ONHZCBUJPDKMMF-UDWIEESQSA-N	505.017	3.992	10	40	KHCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O	409377891	LZZUHLBPPBYRMW-OYKKKHCWSA-N	507.612	3.925	10	40	KHCB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4OC)C3=O)c3ccccc32)o1	409393996	UCIPHHGYMDTVMB-UDWIEESQSA-N	529.505	3.753	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC)C2=O)c1	8445708	IENJYTWWSBARKS-AUWJEWJLSA-N	510.138	3.895	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1C	41077904	FXFWFGWORTXNHO-OUQLGABESA-N	519.004	3.857	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1	409045597	ZSELRNNRZPUXGV-XDHOZWIPSA-N	520.885	3.932	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409177493	GBBDLEZDPIXWAF-ZHZULCJRSA-N	571.614	3.917	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409218582	GIZYMPDXWSERBD-HZHRSRAPSA-N	557.559	3.864	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4Cl)c3)C2=O)cc1	409256550	LYWIOBHONXLKGA-ZHZULCJRSA-N	533.924	3.811	10	40	KHCB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20080137	TVMLZIVNBFPYMN-VWLOTQADSA-N	517.634	3.589	10	40	KHCB	
CN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21	100505351	NXFPIPUJFMOXNJ-YBUXZEIISA-N	521.646	3.606	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223659623	CBZAYLNGBYRZAS-BJKOFHAPSA-N	509.588	3.942	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(Br)cc1Br	408783857	NVIMHIPZDGHGJQ-UHFFFAOYSA-N	526.206	3.714	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC)c(OCC)c3)C2=O)cc1	408818287	VBSPGQMUNCRCFJ-GZTJUZNOSA-N	578.359	3.932	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Br)cc1	408874780	APZZLHZUTOTSTP-UHFFFAOYSA-N	526.206	3.714	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1	408935918	FDVGLEYHAWSWPU-DEDYPNTBSA-N	540.937	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409060784	VYIMRTCHIYAGCS-QPJBPQEWSA-N	547.677	3.724	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c1	409189575	QRCGXZJIWRPYPS-HYARGMPZSA-N	517.563	3.800	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1	409401763	ZSVVWXCCKTYIOY-JAIQZWGSSA-N	520.473	3.612	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	13765402	YZNZWIXNWIJEKM-STZFKDTASA-N	511.559	3.631	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1	97964448	VYYUNXLLEPCLOB-LXEXHQCYSA-N	549.030	3.818	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccnc2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	101433250	WOEMZIORWGKCNL-OFEZKSIWSA-N	530.675	3.790	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OC	103852689	ZMQHEATUYWBPIR-XYOKQWHBSA-N	526.327	3.669	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	150389313	UKOLQVJGMHCRQI-RZXXJPOTSA-N	715.351	3.779	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	408856537	KOOTUAYZDYVVMK-VGOFMYFVSA-N	664.165	3.643	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	409227244	YJTWWONQRLUFHO-FYJGNVAPSA-N	563.950	3.819	10	40	KHCB	
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)cc2c1	96114429	SDQPGKYALNQJRB-HNNXBMFYSA-N	513.458	3.868	10	40	KHCB	biogenic
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccccn2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106021638	HOCXWTZDICZVGY-YNOBPPCASA-N	548.665	3.930	10	40	KHCB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1	409404082	BUFWYASFBFKGMZ-DEDYPNTBSA-N	522.355	3.937	10	40	KHCB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c1	8859961	SSYUSYIOTGCWMV-QGZVFWFLSA-N	504.439	3.576	10	40	KHCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	20207184	FXFDXSBSQURECR-VHARHKTESA-N	512.613	3.853	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	100497435	KEMGLYBNPSPUKG-VSKRKVRLSA-N	501.878	3.764	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499778	QJYAFDJVDGAHHZ-YMSBRDKKSA-N	584.492	3.552	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1Br	408867348	KNFJRERDSTWLKO-UHFFFAOYSA-N	555.166	3.793	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409049202	VOSLDKMVQVIANJ-LPYMAVHISA-N	530.493	3.596	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409062178	PBQRGXHVTRAZRC-QTTRZTASSA-N	547.677	3.724	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)c1	12436424	NOXSTAGWPKBMMM-OYKKKHCWSA-N	515.522	3.908	10	40	KHCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	16488302	NDWIWRSJBQJKHH-MOSHPQCFSA-N	500.898	3.715	10	40	KHCB	
CCN(CC)C(=O)Cn1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c2cc(Br)ccc21	98086261	FEIDFYPGUBKKSS-UHFFFAOYSA-N	519.465	3.651	10	40	KHCB	
C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	225213301	ZFHXWKHHBVGQBF-HXUWFJFHSA-N	501.649	3.872	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC	409131058	LPPHNGFSKAJHHJ-RIYZIHGNSA-N	522.364	3.757	10	40	KHCB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409377105	DNOVOMNBSGAHSK-ZDLGFXPLSA-N	580.937	3.949	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1	409399831	NKIPRLMVMADQQJ-NDENLUEZSA-N	504.455	3.942	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1	902583	XIVGPGGKLPFUNQ-MUUNZHRXSA-N	527.581	3.878	10	40	KHCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O	1781292	WUNKOYZOGUELKQ-ATVHPVEESA-N	501.655	3.964	10	40	KHCB	
Cc1cccc(COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2I)c1	59139485	VKYKYXIXHXXJLU-UHFFFAOYSA-N	506.365	3.777	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336437	BJWUSPIVSWZVCD-YZNIXAGQSA-N	554.651	3.770	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC	408768022	BGGMPFLSAYEHTK-LICLKQGHSA-N	531.359	3.765	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C	409107815	QYBMSIRECCSTDZ-CIAFOILYSA-N	503.515	3.851	10	40	KHCB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1	906315	CYAWWTDLWUOUDR-GMCHKSTQSA-N	596.688	3.540	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	6354065	BELMCTIVVCWBDN-JGTYQCAFSA-N	586.508	3.644	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	101093953	ROIKSMYTDJGKOO-JLFKZYKSSA-N	519.564	3.525	10	40	KHCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	102578301	CDMDMOKTLQOQOA-ADZLKVMLSA-N	525.034	3.924	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408590918	HXMLOIQKMMQJOQ-UHFFFAOYSA-N	539.654	3.565	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc(Cl)c1	408810716	KJLINJFJWAEZGY-UHFFFAOYSA-N	526.714	3.672	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1Br	408871056	XOHVDJOQWOPIOK-UHFFFAOYSA-N	508.166	3.951	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21)Nc1ccc(F)cc1	408952435	NUVCBMXLNVFBLK-SRZZPIQSSA-N	526.480	3.814	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(=O)OC	408982878	ITBQYAFZVORAEJ-CHHVJCJISA-N	598.777	3.870	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	97947712	MBQROUQIRMWVKS-HKWRFOASSA-N	553.641	3.514	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(I)cc1	103856830	KVIDNYXVXXYQRL-UHFFFAOYSA-N	536.391	3.868	10	40	KHCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408779990	PJFORBZMRVRQJA-WXNJCMIJSA-N	504.583	3.794	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408954025	QYJLXFNIMAXLGU-VXLYETTFSA-N	517.450	3.578	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OC(C)C)c(OC)c3)C(=O)NC2=S)c(OC)c1	409066330	BUJORIMFKFRZDS-OVCLIPMQSA-N	582.416	3.936	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cn1	409406497	KEVZPBTWSZRLGQ-SXGWCWSVSA-N	558.288	3.857	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc(Br)c1OC(C)=O	666808	RZGMJXIZJGGPLK-NSIKDUERSA-N	510.138	3.607	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1	6245088	OOYVOAHECDACST-QHCPKHFHSA-N	522.675	3.749	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1	13941979	IBIKETFDOOYDGQ-UHFFFAOYSA-N	517.376	3.966	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1	97964835	LFGOMQHMYBOSHF-MTBZJLAJSA-N	544.586	3.701	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971958	YABLIIOAHUGJDP-AWEZNQCLSA-N	554.504	3.709	10	40	KHCB	biogenic
O=C1C[C@H](c2cc3cccc4c3n(c2=O)CCC4)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108450485	HTHDUMNAOAYCPC-MRXNPFEDSA-N	539.496	3.985	10	40	KHCB	biogenic
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409057284	KDKGANLKNAQGGL-UHFFFAOYSA-N	514.047	3.888	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(=O)N1	409184217	FTPBXKHLLAVYHX-UHFFFAOYSA-N	534.377	3.727	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409258911	YGMKSXCKFJLVSZ-BKUYFWCQSA-N	544.520	3.904	10	40	KHCB	
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	3448299	FCNUDHOKRQIKJT-UHFFFAOYSA-N	532.018	3.800	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCC)c(OC)c3)C(=O)NC2=S)cc1	6508286	NVRQPFBIIWTKTD-YBEGLDIGSA-N	552.390	3.929	10	40	KHCB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	10113319	UEERDXXJKGZEOR-UHFFFAOYSA-N	500.020	3.688	10	40	KHCB	
COc1ccc(CCNC(=O)CCn2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1OC	33357846	PMVAAGVDCWCIMV-UHFFFAOYSA-N	563.632	3.549	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)O)c1	59248992	QHLQOFZZRIBPAP-LDADJPATSA-N	506.511	3.943	10	40	KHCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(C)cc3)C[C@H]2C(=O)O)SC1=S	256055883	XTDVTKBXHLFTBE-DXZLQZRESA-N	523.636	3.734	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	409085922	PDDGBMKHSNVSPV-UNOMPAQXSA-N	504.411	3.970	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1	409387299	POCIAPOXRIQNNC-MTJSOVHGSA-N	638.427	3.937	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	1451379	MEUUZNBUUJYCPO-SILNSSARSA-N	509.632	3.771	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)C2=O)ccc1Br	2193082	HKOGLSRIGZKWGO-RIYZIHGNSA-N	538.148	3.650	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1	101149212	OXMNVYJRRRZBGE-ZVPJYGFCSA-N	533.610	3.532	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC	408741852	SJGDSECRRJSRNX-DHDCSXOGSA-N	506.296	3.673	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408942855	QZZCPDFPYWIFGW-DEDYPNTBSA-N	541.925	3.991	10	40	KHCB	
CCCN1C(=O)/C(=C\c2cc(I)c(O)c(OC)c2)C(=O)N(c2ccccc2)C1=S	409021404	FTRWKAYEQQNFCT-XNTDXEJSSA-N	522.364	3.959	10	40	KHCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409379633	YWRZBDLFUGIWHR-GXDHUFHOSA-N	583.222	3.660	10	40	KHCB	
CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1	9510413	QLGRXBMXJQLIQF-YYZJCXNBSA-N	509.562	3.952	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)c1	13031134	APQQCMKNAYAIMS-UHFFFAOYSA-N	503.558	3.577	10	40	KHCB	
CN1C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C(=O)N(C)C1=O	104882322	VZRKJSFLLWFTST-UHFFFAOYSA-N	526.343	3.645	10	40	KHCB	
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448641	NPHNYHAJLYBXFH-HNNXBMFYSA-N	543.484	3.842	10	40	KHCB	biogenic
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(CCNC(=O)CCN4C(=O)/C(=C\c5ccc(C(=O)OC)cc5)SC4=S)CC3)C2=O)cc1	150419442	NICUBFSGCNQEOY-XWFWGDPBSA-N	810.014	3.793	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223658563	MXRZCFVGNMSHCJ-RPWUZVMVSA-N	509.588	3.942	10	40	KHCB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)c(OC)c1	408978891	OGFHJNSBUXTWDR-ASZNLBCTSA-N	554.672	3.957	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409057955	NDSDTXUNCHRHGM-FQKMCRJQSA-N	577.703	3.733	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409069487	JFKQASCVQBEEPL-WOJGMQOQSA-N	573.377	3.597	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409106290	RAEOOMPTIJJMEO-ASZNLBCTSA-N	605.717	3.629	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1O	409327952	OBDSLIIGPMIASZ-MHWRWJLKSA-N	556.403	3.950	10	40	KHCB	
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)CCC3=O)c3ccc(OC)cc32)S1	97999396	KSZHFQHCPCXABU-UHFFFAOYSA-N	604.728	3.826	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100415577	SEINZSSVZMCFNK-VABKMULXSA-N	512.474	3.607	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4ccccc4Cl)c4ccccc34)C(=N)N21	101393993	MZNIVJRYLPRSHV-HELPIZENSA-N	528.015	3.995	10	40	KHCB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2ccccn2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	101410883	HOCXWTZDICZVGY-TXQOIQMMSA-N	548.665	3.930	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408863487	MZDYWDQGTGNHJZ-GTENMVSRSA-N	642.313	3.824	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC	408984675	JMQWZDALKJZOTQ-MLPAPPSSSA-N	526.714	3.937	10	40	KHCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N21	20207422	OZQBFCOEBNBZAO-YTDNRYEMSA-N	506.949	3.552	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223693774	FEXMUCFONUJREO-RPWUZVMVSA-N	509.588	3.942	10	40	KHCB	
CCOc1cc(Br)c(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC	409012544	KEMPPDFNMXRFJL-ATVHPVEESA-N	503.349	3.882	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040213	XZMFTVIUZXMWIJ-MXLMUYMQSA-N	673.744	3.855	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OC(C)C	409188903	BXRYYVKRSOYGNX-OVCLIPMQSA-N	566.373	3.617	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409400757	QPTUEGCGHLTMNA-MTJSOVHGSA-N	520.498	3.712	10	40	KHCB	
COC(=O)c1c[nH]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O	1647563	JWANQWULRQLQBX-UHFFFAOYSA-N	532.530	3.551	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)c1	100110850	RRQBFHGMYHHTTO-VGOFMYFVSA-N	588.139	3.885	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)c(C)c1	408991646	ORIGNKMBAGAXBK-QGOAFFKASA-N	502.581	3.855	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cccc(OC)c4)C(C)=C3C(=O)OC)o2)cc1	409011216	MVZCNWPIIRMZLT-PCLIKHOPSA-N	587.585	3.597	10	40	KHCB	
CC(C)N1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	9462147	ZPNWBBWQFAAXNE-HMMYKYKNSA-N	509.632	3.770	10	40	KHCB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1C	20206131	FFBLCGJWIHCCSS-OEMPCWLZSA-N	512.613	3.773	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100354846	KAOTWPLJRAILNT-GDLZYMKVSA-N	551.651	3.686	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	102470036	VRUGLDQYUSNIIC-OTLORTAASA-N	569.499	3.943	10	40	KHCB	
O=C(C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccccc2)=NC1=O)N[C@H](Cc1ccccc1)C(=O)O	252498799	RLNLCKHJWXUTPU-DSITVLBTSA-N	542.617	3.744	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408538045	YPSNBUVROOWGMP-DEDYPNTBSA-N	501.451	3.797	10	40	KHCB	
O=C1/C(=C2\SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1	150469196	WSTGFRCLFPRLDU-OCEACIFDSA-N	672.876	3.530	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409044242	UUUFQMYAAFNRHQ-FYJGNVAPSA-N	530.493	3.677	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccccc1Cl	409265567	TYFXHRASGAURBW-UYRXBGFRSA-N	520.885	3.932	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409376494	YMIWGNNZCTXHIK-HAHDFKILSA-N	573.558	3.564	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	8857988	VXTUHGHIZBKUHA-HEXNSGTLSA-N	522.652	3.718	10	40	KHCB	
CN(C)c1ccc(C2=C3SC(=[N+]4CCOCC4)N=C3C(C)(C)c3nc(N4CCOCC4)sc32)cc1	16605502	IXPBHJHUHIUJKY-UHFFFAOYSA-N	510.709	3.683	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccccc1C	101393715	HITFKEOMOVJKRB-MZLPUNMDSA-N	549.030	3.736	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	101396314	BGAYPZNEGSTFSE-MHHBVAOCSA-N	527.584	3.821	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1OCC	409222212	BCNFMPFQABSFNS-OVCLIPMQSA-N	625.270	3.930	10	40	KHCB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	100079088	MPSXENREIVHZKI-UHFFFAOYSA-N	544.471	3.797	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)SC1=S)Nc1ccccn1	101002473	YMBHTKFOENVXJZ-FMQUCBEESA-N	586.746	3.546	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(N3CCOCC3)o2)C1=O	103869628	LVFMTPLHDSOBCQ-NTEUORMPSA-N	539.180	3.616	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223207462	XRDYOPCSWSJRIG-KAYWLYCHSA-N	533.698	3.971	10	40	KHCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1I	408553138	XWBSTUFZUSAIRV-MDWZMJQESA-N	513.154	3.885	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408732963	UQQJECXRRDXXEX-PZHBDVNGSA-N	526.456	3.736	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	100262656	DOCCKRGDBKLDJK-QTTRZTASSA-N	571.655	3.913	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1	100860976	FGLQCDQUTYWRGO-PGMHBOJBSA-N	534.663	3.875	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	100863355	XQLMUFZQNOJEQW-XNXRSNERSA-N	536.679	3.761	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	100863358	XQLMUFZQNOJEQW-UXEMHHKPSA-N	536.679	3.761	10	40	KHCB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1	102937311	GMBSTMZINDPQCC-UHFFFAOYSA-N	602.112	3.734	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)OC	103859276	YKMZZHSTKMNZQJ-OVCLIPMQSA-N	537.750	3.719	10	40	KHCB	
O=S(=O)(O)c1ccc2c(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(O)ccc2c1	254846518	MFSTXKTXCOJDPY-UHFFFAOYSA-N	554.536	3.560	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O	263585328	HLWYLVBXDHBBHY-NRFANRHFSA-N	563.607	3.532	10	40	KHCB	biogenic
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409064973	JTMCCPJLMIGUCU-WOJGMQOQSA-N	602.375	3.800	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409094046	BRYSQWLUYRUWCE-GVMLUORFSA-N	613.578	3.949	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409374403	OQWYYYUIYFOMLQ-GIJQJNRQSA-N	619.343	3.711	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(=O)Nc3ccccc3C)C2=O)o1	409398241	CDQYIOCTTABIQB-XKZIYDEJSA-N	532.553	3.551	10	40	KHCB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409399821	NBZKZWKILAUQPU-DYTQJMLRSA-N	523.767	3.903	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	6232855	LELDXXUVEAEWTH-MQXJPVLKSA-N	510.974	3.891	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1	59595320	YYXKVTPTEZWEQE-FYJGNVAPSA-N	519.579	3.729	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1F	101396289	BRIMPWXXXWAOPH-CXPHBSEKSA-N	544.586	3.701	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1	409040580	GUVQXFUCXFCROO-RGVLZGJSSA-N	627.391	3.998	10	40	KHCB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1OC	6135887	FTAHOTWBFCVQLB-SANMLTNESA-N	588.690	3.612	10	40	KHCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	32125503	UHTXDVZTHNJUKC-GENIAPEFSA-N	520.582	3.637	10	40	KHCB	
O=C1/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	97947378	HVIQVOGONICIEH-FMNVXAMXSA-N	534.040	3.529	10	40	KHCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	100915236	RXQIUDLJDRSYBA-CNJGYECJSA-N	526.621	3.836	10	40	KHCB	
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)cc2c1	108451070	AWDDWCMSVGWKLQ-CQSZACIVSA-N	529.457	3.574	10	40	KHCB	biogenic
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1	223164447	YQQPZNSPFFJTIF-CLJLJLNGSA-N	519.671	3.580	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223207578	XRDYOPCSWSJRIG-RRPNLBNLSA-N	533.698	3.971	10	40	KHCB	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@H](O)[C@H](C)O3)c1C2=O	256966644	RZOFHOWMWMTHDX-NLBZLAPOSA-N	746.854	3.656	10	40	KHCB	in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1	409052320	CPLAOQAORUVIAD-ASSGYOTOSA-N	517.651	3.797	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8398992	SFAMNCNUVWXZQD-XPWALMASSA-N	513.477	3.698	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8691472	XIGLDBCHPWVDID-IKWLBIHPSA-N	521.525	3.899	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100131313	VUSUOUCIDZIQSR-FSSWDIPSSA-N	500.438	3.737	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)c(I)c3)C(=O)NC2=S)cc1	100233185	RVYGXLOWAUGZDG-WJDWOHSUSA-N	522.364	3.920	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)SC1=S)Nc1cccnc1	101002472	JMRPDFUYPXKUNV-FMQUCBEESA-N	586.746	3.546	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc2OC)cc1	408527856	ADXQNKKCUOPNDD-XMHGGMMESA-N	502.479	3.598	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	408789619	NDRGOLVNPHAUFI-AUAXKSBWSA-N	506.555	3.564	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OCC(=O)OC	409349738	WACPVEAJRPAAOX-DHDCSXOGSA-N	513.018	3.898	10	40	KHCB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1	906311	CYAWWTDLWUOUDR-NSJVFKKDSA-N	596.688	3.540	10	40	KHCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C	408526224	AJJAFDFYDOCBON-ZHZULCJRSA-N	533.448	3.805	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br)Nc1ccccc1	408695441	UWTXDTLPVJFHIF-LDADJPATSA-N	512.360	3.871	10	40	KHCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778082	KYWFBXBGIAMJPH-IMRQLAEWSA-N	576.719	3.828	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCN(C)CC3)nc12	100861885	LAYZBDUXAICMCH-ZHZULCJRSA-N	526.087	3.810	10	40	KHCB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)C[C@@H](C)O1	100900615	BLXRCFOVPGNACL-AWLIUGMOSA-N	598.728	3.623	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(C)c(C)c1	101393655	LOFWHSNMRXGTAG-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497247	DAQIPXSMDBEFHF-GTWFGUSFSA-N	535.666	3.662	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(N)=O	409227361	XZAYOPYDIHUCSP-CIAFOILYSA-N	594.418	3.957	10	40	KHCB	
CCc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	13647379	OLPQUIXLIPCJGV-UHFFFAOYSA-N	507.656	3.906	10	40	KHCB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19972955	KRVYRXISFGVUGV-VWLOTQADSA-N	501.635	3.752	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1	97964762	LNPYEINHENGQPD-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499505	PBYZDOBNNNGGSZ-CMISJSSVSA-N	571.655	3.911	10	40	KHCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1OCc1ccc(C(=O)O)cc1	409186308	AEFMJOBXYFJKFO-QGOAFFKASA-N	506.511	3.943	10	40	KHCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OC)c(OCC)c2)C1=O	409248794	QSOCALCUODARRN-GXDHUFHOSA-N	536.322	3.764	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1	6135941	XHOGANZLTGTNFN-HSZRJFAPSA-N	538.649	3.866	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	41084030	CIURDJBXNXSXOF-KMFLQCEESA-N	519.004	3.939	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)ccc1Br	408526303	ATXHIPDTDDNWAP-RCCKNPSSSA-N	569.437	3.815	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408533145	JLCMVKQDHYKADY-UDWIEESQSA-N	546.532	3.915	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409370488	RSIMJQDQQLVTQA-UNOMPAQXSA-N	548.483	3.817	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1	409391311	MVTRQYGWGZSXCF-UHFFFAOYSA-N	558.100	3.939	10	40	KHCB	
O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C(=O)N1Cc1ccccc1	100122463	LVGVLQOLESTRGK-RNLGNXJRSA-N	535.394	3.667	10	40	KHCB	
CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C(=O)N(C)C1=S	103856344	UULQPKVXSWUXTC-UHFFFAOYSA-N	615.243	3.930	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	225367763	YRNNEOGFOMLKOW-QFIPXVFZSA-N	529.703	3.762	10	40	KHCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408785223	UXUZVMKUKBYMOT-LFYBBSHMSA-N	514.115	3.886	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1	408912781	RZIZTPIJDJUTQP-OQLLNIDSSA-N	522.364	3.525	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1Cl	408984385	QIXMDDNLOSIPAF-QCDXTXTGSA-N	666.593	3.987	10	40	KHCB	
O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(Cl)cc1	409271755	MRPNBXRBFJMDJW-UHFFFAOYSA-N	573.650	3.797	10	40	KHCB	
COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6135934	CRRKPVWEHZOZCH-RUZDIDTESA-N	564.712	3.731	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(C)c1	97964490	XILCGMOLRADNMF-UDYIERFUSA-N	547.014	3.888	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1cccc(C)c1	101396426	OAMQQNPGWLTEDC-VZKFJVGXSA-N	542.639	3.861	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408724807	CPTSQHLORAVZBO-PRWBYUBPSA-N	668.351	3.937	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409007286	NMOWHEWJJHWMET-UHFFFAOYSA-N	529.593	3.930	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1OC	3865145	QFFNDHIYOFNZKI-PDGQHHTCSA-N	502.570	3.641	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC	408978984	BHVXRNRBUYDTRE-QPJBPQEWSA-N	571.655	3.913	10	40	KHCB	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	2300056	GMOGNVDSNOZXEK-KYAFNBKBSA-N	523.636	3.821	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	19826115	WONVXVYVYVBYRG-MUUNZHRXSA-N	521.625	3.792	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1O	409021418	GKXFRHOZTMSXMY-VZUCSPMQSA-N	530.169	3.896	10	40	KHCB	
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(I)cc(I)c1O	8384588	RSCMRNLZYIRLPG-LFYBBSHMSA-N	566.520	3.716	10	40	KHCB	
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1	16450601	RTPYLMSZCLCBDL-WJDWOHSUSA-N	506.418	3.851	10	40	KHCB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	100850288	ZAVZKCZOPCYYJA-JCMHNJIXSA-N	535.695	3.555	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1	101105762	PODBFRLDDZGJIJ-VZKFJVGXSA-N	533.591	3.915	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I	164480816	XJWZGSACJMXWJM-LFYBBSHMSA-N	713.085	3.953	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(C)=O)C2=O)cc1	408530734	FRSXRAMVXSRZOR-NVNXTCNLSA-N	538.148	3.812	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3C)CC2)cc1	408677683	QPPCIMSWGYXHHX-UHFFFAOYSA-N	513.591	3.671	10	40	KHCB	
CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)NC1=S	408913130	KYAFQSZUYMTOEY-AWNIVKPZSA-N	510.753	3.846	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409223281	GRQDLQVCVHOMBC-FYJGNVAPSA-N	530.493	3.596	10	40	KHCB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1	32665871	ICNYBXXFBJLSLV-NTWBUQQASA-N	524.646	3.949	10	40	KHCB	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O)Nc1ccccc1C(F)(F)F	100972345	VGTRJFNVXQRKDX-IUPCOXQMSA-N	519.526	3.673	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)SC1=S	110514933	FKMDJRZXFRGWRV-UITAMQMPSA-N	517.151	3.823	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n32)cc1OCC	408936321	PEENIQTZYMEVBO-HMUDIZEXSA-N	535.666	3.662	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(CC)CC)cc4OC)c(=O)n32)cc1OCC	408943858	ZGIFGPJDNMJXOE-HNVNJYSWSA-N	565.692	3.670	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	2049552	DOCCKRGDBKLDJK-BIWBSIMWSA-N	571.655	3.913	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCCOc1ccccc1	97964729	YUYRVEOZAXJMRV-BTSLSPDOSA-N	542.639	3.945	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1	100340437	MKQZEHYPDSUJCO-OEAKJJBVSA-N	577.571	3.855	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1	409190246	QPDQMQKPLUHGDI-KGENOOAVSA-N	518.547	3.812	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1	409387465	QQYBFKOMJDGIKV-UNOMPAQXSA-N	638.427	3.937	10	40	KHCB	
O=C(NC[C@H]1CCCO1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	6475226	YSWNJOQZFBLOPQ-YDYNHKSESA-N	605.699	3.886	10	40	KHCB	
COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96221436	IANSWINFVIDUFM-GFCCVEGCSA-N	500.406	3.961	10	40	KHCB	biogenic
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	97946861	PZRAAVNPLCVHHY-AREJXAQWSA-N	530.693	3.502	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408534651	MMDDRAOIPSHVHD-ITJRUENTSA-N	531.521	3.873	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br	409060629	VOYYDLIBDLURSB-CRCYZHLCSA-N	642.572	3.805	10	40	KHCB	
CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2cc(Br)ccc21	409206095	HPUFUYZMZRPNRR-ODLFYWEKSA-N	515.408	3.677	10	40	KHCB	
CC(=O)OC[C@H]1O[C@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70664679	CDVBCDJCQLWGKB-RIAYOEEMSA-N	602.976	3.575	10	40	KHCB	biogenic
COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	100359222	GTDBGZNIQONLQQ-MYYYXRDXSA-N	529.549	3.903	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223207777	IHQATNJLNXLNMF-SXOMAYOGSA-N	533.698	3.971	10	40	KHCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	408526875	CQCDMTGBRZKESX-SSZFMOIBSA-N	515.401	3.739	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccccc1	408983464	KOCZPZRTNQPMNL-LXYLXTGBSA-N	541.629	3.935	10	40	KHCB	
CN1C(=O)C(=Cc2ccc(-c3c(Br)cc([N+](=O)[O-])cc3Br)o2)C(=O)N(C)C1=O	6878788	GUGQAOZOADPFRZ-UHFFFAOYSA-N	513.098	3.814	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC	14133060	WRQSOBGBIYUJGX-NTEUORMPSA-N	506.296	3.673	10	40	KHCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1	20206271	QRXFPRHLZGECDF-MLDLNWIHSA-N	519.004	3.727	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)cc1	100542081	FUAMBEDWPHCSAE-SGNDLWITSA-N	509.514	3.867	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	101173780	ZWDWFNYRQVXCPI-YKTDLWLWSA-N	533.610	3.703	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O	408878986	CDGFJFUAZMVGGT-IZZDOVSWSA-N	512.687	3.634	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409203643	YGOSHRAVARMQJB-PXLXIMEGSA-N	514.625	3.737	10	40	KHCB	
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	12480843	SHASSZYUHNWYFW-IRPSRAIASA-N	526.641	3.875	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1C	409268125	QCEQYHGNSCTKTL-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
O=C1/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	2668268	DQHPJVMPUPOYTP-IWIPYMOSSA-N	587.683	3.740	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c(C)c1	9274076	KGOSCXZBOUQMCM-HLUGXMBVSA-N	504.616	3.579	10	40	KHCB	
O=C1NC(=S)S/C1=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1	408763775	OUCPQKHAMUMFEJ-ZSOIEALJSA-N	501.361	3.614	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c(C)c1	408815878	SRZXYEZTAHWUFS-CIAFOILYSA-N	517.563	3.939	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)O	409045613	GQQQDFMPHZXRQS-MKMNVTDBSA-N	523.723	3.631	10	40	KHCB	
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O	100859948	FDHJNUYJOBIUJB-XKKFXXQGSA-N	540.022	3.846	10	40	KHCB	
O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)SC1=S)NC1CCCCC1	101002408	FLDNPJSMCULCRP-FMQUCBEESA-N	568.812	3.597	10	40	KHCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408778773	KIKWJYLGSXTWEO-GIJQJNRQSA-N	612.332	3.964	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409252131	QRELNEQWRZWRFF-ZHZULCJRSA-N	501.564	3.852	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1C	6280339	WBZLWZDIZRGNNJ-XMMPIXPASA-N	534.686	3.954	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccc(C)cc1	101396284	SLCBXYXFDUGMNM-BTGMWCQSSA-N	540.623	3.870	10	40	KHCB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408776259	XNKHJUOSVYLBAI-CXUHLZMHSA-N	520.323	3.982	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)cc1	408955746	YXSXLRGXZZBHCG-KPKJPENVSA-N	547.168	3.877	10	40	KHCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)S1	409081758	HXJMAFYDFBPJRW-CXUHLZMHSA-N	515.794	3.977	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1C	20207314	RYDWCRURKSJZSV-RQUXIJKASA-N	512.613	3.982	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4Cl)C3)CC2)cc1	408526716	BXQSCOPMDPTPMA-QGZVFWFLSA-N	512.459	3.752	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1cccc(Cl)c1	408872165	AGJIDJHXZYNVRY-UHFFFAOYSA-N	542.782	3.837	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050259	SZBDHWVUCVPQRN-MXLMUYMQSA-N	673.744	3.855	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409272344	PSWXFWZXAZZUTO-MOSHPQCFSA-N	516.597	3.787	10	40	KHCB	
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972087	APXVAULLPWAZPI-MRXNPFEDSA-N	557.511	3.554	10	40	KHCB	biogenic
CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC	408877970	ZDJKFMLMDXLXDQ-LCYFTJDESA-N	524.286	3.894	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC(C)C	408955341	UEKXNWDTFBSCKQ-MKMNVTDBSA-N	503.305	3.640	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OC	409171767	GRNOQBMHPYJBOT-UKTHLTGXSA-N	538.363	3.538	10	40	KHCB	
CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O	2375880	ZVDCQPUCZBRNCX-BRLDDBHUSA-N	510.641	3.596	10	40	KHCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1	9457793	PQCUZPIFYPKDIJ-MBYGRGGXSA-N	505.556	3.755	10	40	KHCB	
O=C(O)CCCCCN1C(=O)/C(=C/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)SC1=S	16779107	OIYTUVFQDSLMMF-ZKLMZBBOSA-N	516.688	3.765	10	40	KHCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCN(C(=S)Nc2ccc(F)cc2)CC1	100113955	MSQOYENOYXFFQM-PTGBLXJZSA-N	512.630	3.956	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	100253148	SVBRBMMSYVJUEB-UHFFFAOYSA-N	533.400	3.724	10	40	KHCB	
CCN1/C(=c2/s/c(=C3\SC(=S)N(c4ccccc4)C3=O)n(CC)c2=O)Sc2ccc(OC)cc21	100505341	CCRXDVBGURRDIE-RSFSRFMPSA-N	527.718	3.809	10	40	KHCB	
N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(C(F)(F)F)=NN12	102470046	FWRKJYODUAFVQZ-PJXZGTMWSA-N	525.446	3.544	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(OC)cc4)C(C)=C3C(=O)OC)o2)cc1	408872085	KELMXQPCWKJEPR-PCLIKHOPSA-N	587.585	3.597	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O	408903352	RKBGENUQOJAQGL-NTUHNPAUSA-N	510.138	3.982	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1	9304178	RHQMZHPJVXZOKH-ILUGDOHVSA-N	513.535	3.985	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cc(C)ccc1C	101394472	OEHWJFQGNHJHTD-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@@H]2C)cc1)C(=O)Nc1cccc2ccccc12	104124311	UWHNBRYJJPMEET-CDIGKFDCSA-N	509.588	3.684	10	40	KHCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccccc1	408529430	HXBBZZSHOPGOHE-WQRHYEAKSA-N	565.389	3.814	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1	409380354	LJDPVPQIYSEFAA-JAIQZWGSSA-N	550.911	3.941	10	40	KHCB	
COc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(OC)cc5)S4)CC3)=NC2=O)cc1	11582382	VPUDXKWBIQYNHI-KBNZVFGVSA-N	520.636	3.962	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1	13676091	NOPFFJYPVPXMAK-UHFFFAOYSA-N	523.655	3.742	10	40	KHCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	408903659	VQAWWJUYGIQDNU-RIYZIHGNSA-N	557.138	3.737	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1C	409257547	SSSTTZCWRVRWME-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409275928	NANFZMBAELAQAS-QAHUDSGCSA-N	534.682	3.694	10	40	KHCB	
CCOc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	20061179	YLXYXNZWRZYWJS-UHFFFAOYSA-N	523.655	3.946	10	40	KHCB	
O=C1/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	102993431	HVIQVOGONICIEH-MPMPPSQCSA-N	534.040	3.529	10	40	KHCB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408534037	KWMGDLYSSWFUGL-GHXNOFRVSA-N	526.112	3.942	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409045582	ZLCRCOANFIIDJU-UDWIEESQSA-N	563.950	3.819	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1	409152855	KFVNXSBXGDYTKV-UNOMPAQXSA-N	547.387	3.869	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc(Cl)c1OC(=O)c1ccco1	101396910	GHSJBAYKUPSKPP-PJMSFRGASA-N	536.975	3.561	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c2=O)=N1	409032742	NCJWYXKDFXNMGK-CMISJSSVSA-N	555.656	3.992	10	40	KHCB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n21	409058605	TYVMQLHHHIVDCB-RISWYLRJSA-N	612.546	3.795	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(Br)cc1OCC(=O)O	59135500	GCBDTMOEBWNTIO-VGOFMYFVSA-N	507.268	3.957	10	40	KHCB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	101954989	XHZJVTAXFNBTMO-FDFHNCONSA-N	579.346	3.995	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409078956	JLQHJKPCTXCARM-UHFFFAOYSA-N	530.209	3.926	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC	100320964	OJAHCUNOZBQKIK-NTUHNPAUSA-N	573.206	3.902	10	40	KHCB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1	101057961	ODYSDHUBKYLUTR-XVCGDLFISA-N	533.610	3.785	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408950409	JWPKXKUFVXTHDB-LZYBPNLTSA-N	548.420	3.699	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(Br)c3OCC(=O)O)C2=O)c1	408962648	IXESEACDRAHAFJ-VIZOYTHASA-N	599.175	3.800	10	40	KHCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409001727	QYWCINDDGSMKNC-ODLFYWEKSA-N	505.443	3.794	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1	100230449	NNXZXWCUMPAEOX-OCEWKHMESA-N	535.666	3.662	10	40	KHCB	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)CC2)cc1	100762429	MKVSNMZLLLNHIG-QYJRXKHCSA-N	577.732	3.718	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc(Cl)c1OC(=O)c1ccccc1	101396907	KCTYFHREESHGCA-UDYIERFUSA-N	547.014	3.968	10	40	KHCB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC	408538054	YSSPEBHQPUSYCV-ATVHPVEESA-N	520.469	3.737	10	40	KHCB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1Br	408689215	ROEXXKPAOWWQPX-VWPQPMDRSA-N	525.399	3.802	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(C)cc1	408831079	HAMSOUFBUUDFGK-XSZPGNIMSA-N	505.640	3.659	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1	409195736	RVHTWBAABGOJMO-LPYMAVHISA-N	542.548	3.949	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4113361	UYIFJLVAJICXIM-CAOOACKPSA-N	505.486	3.980	10	40	KHCB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1	8858047	KQNLSXXVJAWOKL-HGBKYHTQSA-N	505.669	3.799	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3cc(I)ccc3Cl)CC2)c([N+](=O)[O-])c1	33794986	RAWAHPYQZXXCSD-UHFFFAOYSA-N	501.708	3.824	10	40	KHCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	41077769	OMLYTJJQYDVKMS-WMEYRTBOSA-N	519.004	3.727	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1cccc(C)c1	41083981	GLNJVSPJJWEZSL-JLFKZYKSSA-N	512.613	3.984	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100342196	IRJRUSAIXUQHKU-GDLZYMKVSA-N	535.652	3.986	10	40	KHCB	
COCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860325	HCLNUKPISMOUCQ-CJLVFECKSA-N	553.685	3.706	10	40	KHCB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n21	408971868	RDVBIYSXVDYUDO-XIJDOWMKSA-N	579.719	3.678	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1	409375473	LIQCEAAZKOCDHV-UYRXBGFRSA-N	551.914	3.950	10	40	KHCB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(O)c(O)c2)cc1	906409	ZLIBCJLXPIZEMX-LJAQVGFWSA-N	537.576	3.942	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)CC2)cc1	9694836	MUUILQITRVPIDF-UHFFFAOYSA-N	526.634	3.610	10	40	KHCB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1	100672660	VEQRMNHBAWMHTL-TZRRMPRUSA-N	509.514	3.867	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c(OC)c1	408942797	LHXLUTIOEHYWJR-PLQXQRLBSA-N	556.084	3.925	10	40	KHCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1cccc(I)c1	409130401	HRRBGCXAGIOOGN-YBFXNURJSA-N	551.406	3.594	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(CCc4ccc(OC)c(OC)c4)C(C)=C3C(=O)OC)o2)cc1	409184031	DVUKEHKSITUCHA-ITYLOYPMSA-N	645.665	3.644	10	40	KHCB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(O)c1	902617	YRCLDDHQJJGIBZ-MHZLTWQESA-N	515.570	3.772	10	40	KHCB	
CC(C)N1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	26779611	ZPNWBBWQFAAXNE-HKWRFOASSA-N	509.632	3.770	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	105496139	ACXDYCYHSKPKAX-UHFFFAOYSA-N	514.170	3.844	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409067708	PNONIHJJEATYCT-XDHOZWIPSA-N	542.953	3.791	10	40	KHCB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)NC(=S)NC2=O)nnc1-c1cccc(Cl)c1	409195515	WBGLLNZEEROGNO-UHFFFAOYSA-N	514.976	3.592	10	40	KHCB	
CCc1ccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C(=O)NC2=S)cc1	6574109	NLHUPPDLWUFYEN-DHDCSXOGSA-N	522.364	3.702	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4ccc(Br)cc4c3=O)CC2)cc1	20644195	FYOQTFMOWJJJIY-UHFFFAOYSA-N	517.449	3.959	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	100863360	XQLMUFZQNOJEQW-VWDHRRFHSA-N	536.679	3.761	10	40	KHCB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n21	408971866	RDVBIYSXVDYUDO-BSGTYYGESA-N	579.719	3.678	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)O	409042637	NWBJMWPWHXRNLK-NTUHNPAUSA-N	537.750	3.939	10	40	KHCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	1889452	DNPQPVXFQNUWIN-HKWRFOASSA-N	518.492	3.783	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8443480	PVDUULJKXUQOTR-ZNQKWNQWSA-N	668.351	3.937	10	40	KHCB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O	408527947	AKNIQINIRSCFBB-JUNMLXNPSA-N	526.181	3.787	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409383305	UDOVTKDEYGIXAG-AQTBWJFISA-N	505.527	3.683	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(I)o2)C1=O	408952952	NJPZBADPFCOOBE-YRNVUSSQSA-N	515.101	3.876	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(OC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	6599849	BPKDILXPVPYCLA-KMDXXIMOSA-N	525.513	3.567	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	223165068	JWBQAKNEYMAUNH-IZZNHLLZSA-N	519.671	3.580	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1O	408893167	FXGSWUSSICNSKP-ONNFQVAWSA-N	533.105	3.979	10	40	KHCB	
COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1	100310601	SGXAEDAUXBPTCC-XKZIYDEJSA-N	529.505	3.915	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	409387506	ALCPHNWIYNSIIR-UHFFFAOYSA-N	523.655	3.865	10	40	KHCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	9259793	BRZGLTYGTPWQLE-SRZZPIQSSA-N	510.462	3.993	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1	408688134	PZJQPVVAUSCVCR-NJYVYQBISA-N	500.473	3.750	10	40	KHCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O	408766229	SSDQPWBVJDAMRK-NTUHNPAUSA-N	510.138	3.901	10	40	KHCB	
CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	13668904	NWCRAFDAICUMCH-UHFFFAOYSA-N	527.618	3.573	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	100762266	OYIZKLUQPUVYMV-HKWRFOASSA-N	570.096	3.659	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1	409264608	LJCIPINGVKEQDN-STZFKDTASA-N	514.494	3.896	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	13811292	RVOVFVNHDQGRQF-WLLBJTQBSA-N	522.652	3.529	10	40	KHCB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)cc2)s1	97961091	LUFADNDCXBQREL-WJDWOHSUSA-N	591.469	3.551	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1	97964452	ZZHUHTFLASTDPQ-OCTOJFLBSA-N	528.612	3.554	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(I)c3)C(=O)NC2=S)c1	408743039	YUKIGIVQYHPQCW-OQLLNIDSSA-N	508.337	3.530	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1	409346103	MPIOHAFDHOTALI-UNOMPAQXSA-N	594.387	3.711	10	40	KHCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1	20207459	OKNHLSWKHVQRIY-UTQUROFUSA-N	515.617	3.511	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(Cl)cc1	101394304	ONMXYUABDOHMQR-NWSLSDTJSA-N	549.030	3.818	10	40	KHCB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O	408538260	ZQKZHEKMVFCPQO-HHGNOZCOSA-N	501.495	3.864	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	408978985	BHVXRNRBUYDTRE-QTTRZTASSA-N	571.655	3.913	10	40	KHCB	
CCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	16957368	CZOKWUGWZGCLJY-JAIQZWGSSA-N	516.417	3.858	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1	97964441	KRKZTEYDOZJBIH-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
CCOc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2cccnc2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	100228004	KYHUTAUWXBXOGM-KWTBFXGESA-N	534.663	3.774	10	40	KHCB	
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1	108449962	XIZNEEYQBYAPQL-HNNXBMFYSA-N	543.484	3.584	10	40	KHCB	biogenic
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408770779	AJQWYSCNVOGLHN-LFYBBSHMSA-N	558.566	3.995	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1O	408783517	MHXKZOXNVJHPFJ-KPKJPENVSA-N	510.138	3.901	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	13626359	QISHERPDNUYSOB-BAURHKQJSA-N	519.648	3.988	10	40	KHCB	
CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O	16736185	WVVHHZBWPCEYNW-GZQZNAIASA-N	501.033	3.932	10	40	KHCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	20287692	KMONAGULVQLVNZ-ULJHMMPZSA-N	505.556	3.534	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	100159837	KSJNWNJAWAOCNB-AUWJEWJLSA-N	552.175	3.904	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1cccc2c1C(=O)c1ccccc1C2=O	102778686	IKQDSPWGYDMIBT-QHCPKHFHSA-N	522.513	3.578	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408872432	NGPITUXAPKIRMR-WSDLNYQXSA-N	527.986	3.679	10	40	KHCB	
COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(C(C)C)C3=O)CC2)cc1	100762405	VOHYNJHXHBWPDQ-JWGURIENSA-N	535.695	3.948	10	40	KHCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1OC	101017400	LPSSXUKNDAQCOA-IYHCKTHZSA-N	553.662	3.979	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408811539	NVYRQJFIXNXBEG-OVCLIPMQSA-N	551.293	3.663	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1	409071829	LPDHXWCPHBEBEX-CPNJWEJPSA-N	512.927	3.783	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1	409365727	WPDLOAYDSKPSEV-BKUYFWCQSA-N	551.914	3.950	10	40	KHCB	
CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6076902	UPLDWVPEAPTKJN-JOCHJYFZSA-N	526.638	3.580	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(N(C)C)cc4)N[C@](C(=O)OC)(c4ccccc4)[C@@H]3C2=O)cc1	33938645	FOPBPMHDNXUDOV-DZNDNOMISA-N	513.594	3.670	10	40	KHCB	
Cc1ccc(COc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)cc1	101394806	NBKCRIXEGQBSHY-WUVMMTAUSA-N	533.429	3.958	10	40	KHCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccc(Br)cc23)SC1=S	409129398	GKYKDIXPDVMIFE-OADJVDCOSA-N	508.463	3.920	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1	409254828	IXLJNRYIDZVDAY-HMAPJEAMSA-N	557.559	3.783	10	40	KHCB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6135851	RBKUZKNSOKPHPZ-DEOSSOPVSA-N	550.685	3.736	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100323979	WDRAATCJICGSLG-XPWALMASSA-N	513.477	3.698	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC	408817778	UNFOYWJTWPSJND-KPKJPENVSA-N	526.714	3.937	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)O	408985520	XFGYJSLQFQKNPW-ACAGNQJTSA-N	523.723	3.549	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409185594	NBAPEFBQJCCTPF-IWIPYMOSSA-N	529.549	3.729	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6378537	VEZPGYJFMYOSOM-FGGAIWKESA-N	526.456	3.627	10	40	KHCB	
Cc1cc(N2CCOCC2)ccc1CN1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1	643569272	AAGOUULOHQZAIJ-UHFFFAOYSA-N	502.615	3.986	10	40	KHCB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1	6089823	MJBGEVPGOLIISR-DEOSSOPVSA-N	552.701	3.839	10	40	KHCB	
Cn1c(=O)c([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2ccccc21	96221230	ZDWWWQHCQQADOB-AWEZNQCLSA-N	513.458	3.575	10	40	KHCB	biogenic
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1	408993651	WOQZBPVUOJHUTF-CPNJWEJPSA-N	543.590	3.861	10	40	KHCB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC	408530304	DXOOOEQCYRZVAT-UYRXBGFRSA-N	516.506	3.906	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccccc1OC	409060910	WYMUDZIUAFMTTN-OGRZUZBBSA-N	517.651	3.716	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1OCC(=O)OC	59198218	RYZRXQFKJMAPFY-MHWRWJLKSA-N	503.305	3.906	10	40	KHCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408849938	BEFTWBBPNLLECX-YBFXNURJSA-N	523.405	3.602	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	408872674	NYWNKYMIPCCZCM-MFKUBSTISA-N	536.606	3.948	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1	409075521	WOWZQEMIFAEIQK-GHRIWEEISA-N	512.927	3.783	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@@H]3CCCO3)nc12	2356520	GZUVDZQHBVGVDH-QREGZJMFSA-N	536.635	3.724	10	40	KHCB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1	8858070	UQHOKAOCDZWYFS-XLNRJJMWSA-N	519.696	3.589	10	40	KHCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCN1CCN(C(=S)Nc2ccc(C(=O)OCC)cc2)CC1	100113958	JXKMAHPTQHMSAQ-LKUDQCMESA-N	566.703	3.993	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	103858082	PELINNDTNKYQJH-MDWZMJQESA-N	527.112	3.729	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1	408808781	NJDSKDLAIJINQR-FYJGNVAPSA-N	504.470	3.866	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(Cc4ccccc4)C(C)=C3C(=O)OC)o2)cc1	409015700	RVIYNDDTWLPLSJ-PCLIKHOPSA-N	571.586	3.584	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409021936	GFOAAIUEQFNXHK-XOYGFPHKSA-N	512.031	3.526	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035852	UJFMPXMBSFCERZ-KOBOZNMDSA-N	637.755	3.604	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC4CCCCC4)cc3Cl)CC2)cc1	409367165	HXPJYHRLZFFBDN-UHFFFAOYSA-N	522.067	3.687	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553030	UQCUSCDIPXEHAZ-UHFFFAOYSA-N	528.801	3.977	10	40	KHCB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O	408741854	ODHITAOKDXPFHP-QPEQYQDCSA-N	506.334	3.514	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)NC2=S)cc1	408761704	BAARNWKAYOCVTC-ZHZULCJRSA-N	503.492	3.654	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408954617	RYAAZSGVXYFVGI-QGMBQPNBSA-N	642.358	3.972	10	40	KHCB	
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1	57063808	AGXWQFWCNAMZEJ-QGZVFWFLSA-N	510.591	3.520	10	40	KHCB	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	103334575	YTVBOPDLKIFBAR-UHFFFAOYSA-N	537.550	3.662	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	111461149	PPKZFPXETZHBLZ-IZBTWGKQSA-N	586.508	3.644	10	40	KHCB	
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4cc(S(=O)(=O)CCOS(=O)(=O)O)ccc4c3S(=O)(=O)O)c(O)c12)c1ccccc1	232016261	HIJJKUHQANBAOM-QNEJGDQOSA-N	845.842	3.700	10	40	KHCB	in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409056293	CHIFCCDALOWBEW-ABBNRAPFSA-N	547.677	3.806	10	40	KHCB	
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccc(Cl)cc1	409220440	ZOZQFIQZXDYUFL-BKUYFWCQSA-N	520.885	3.932	10	40	KHCB	
COC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409400211	QNNIGGYDRDFPOO-RLIURORJSA-N	554.191	3.622	10	40	KHCB	
O=C(C[C@@H]1[C@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccccc3)c(O)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]21)c1cc(O)c(O)c(O)c1	1857787530	FXCKTDPHONCAKY-FQYHNCNHSA-N	872.741	3.681	10	40	KHCB	
COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC	895902	ONBUGINURXFPLZ-UHFFFAOYSA-N	507.568	3.944	10	40	KHCB	
CCCCNS(=O)(=O)c1cc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)ccc1OC	4830757	SRHOKEWEHONYEI-UHFFFAOYSA-N	541.538	3.612	10	40	KHCB	
O=C1[C@H]2[C@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	97990160	HUMWITYZDYGYGP-HKBOAZHASA-N	594.317	3.895	10	40	KHCB	
C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)C[C@@H](C)O1	141452886	BLXRCFOVPGNACL-QXJZZENKSA-N	598.728	3.623	10	40	KHCB	
O=C(C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccccc2)=NC1=O)N[C@@H](Cc1ccccc1)C(=O)O	252498800	RLNLCKHJWXUTPU-GVAUOCQISA-N	542.617	3.744	10	40	KHCB	
Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1	408956805	YOEJZCHEBXVGQU-WSDLNYQXSA-N	522.517	3.984	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409082672	TVPNLRRYAGNGTL-GZTJUZNOSA-N	504.411	3.970	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	1450034	KLIFBTDVMGZMMK-FXBPSFAMSA-N	505.669	3.941	10	40	KHCB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	19941367	CJQFKVIQMMNLLZ-VWLOTQADSA-N	501.635	3.888	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N21	101394768	RYDNHTCKVFCQFI-YXZMWACZSA-N	537.392	3.788	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1	103767258	CGSKATNNDWQXLP-UHFFFAOYSA-N	558.601	3.820	10	40	KHCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1cc(I)cc(I)c1O	150399187	OKNYQULYBMIOLW-SDQBBNPISA-N	657.971	3.667	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1	408950691	UDDAJKSIRDMJBF-IGSWSUAKSA-N	526.058	3.916	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)c(Br)c3)c2=O)=N1	409029999	BKCGDQWTLHEQJO-FBHQFGEZSA-N	526.456	3.627	10	40	KHCB	
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O	108448800	VQYPTQQCROYUDX-CQSZACIVSA-N	550.472	3.666	10	40	KHCB	biogenic
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552145	OPQXDNUXUDATFI-UHFFFAOYSA-N	512.733	3.812	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(C)o1	408988781	SGRDZIBKNLPLTR-GXIJPSQLSA-N	545.617	3.836	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	409380432	MYWUWBSQUSGZFQ-UNOMPAQXSA-N	550.911	3.941	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409381322	FJJJXGVSTFQJMN-UYRXBGFRSA-N	550.911	3.941	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCC(=O)O	2306527	IJLAPYORPLVHMH-LZYBPNLTSA-N	517.332	3.711	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	100860287	XFTWQPPSACJMKW-BQNPTPDXSA-N	565.696	3.849	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223207890	IHQATNJLNXLNMF-SVBPBHIXSA-N	533.698	3.971	10	40	KHCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1	408790321	OXKGTVIUNDWTQO-CIAFOILYSA-N	501.495	3.666	10	40	KHCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(I)o1	408852899	OEJVATVWULQBQN-BJMVGYQFSA-N	521.492	3.967	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(OCC)c3)C2=O)cc1	408873980	YDMQIELYOAGLTF-WOJGMQOQSA-N	506.296	3.755	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409059994	UBFUEMGZISFDMM-CSJROMOCSA-N	577.703	3.733	10	40	KHCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)C1=O	409218658	JLVVYWZGUAYMSJ-UUILKARUSA-N	571.609	3.704	10	40	KHCB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)c1	409058149	IRHFAMKNFFWLCA-BIWBSIMWSA-N	547.677	3.804	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2)cc1C	409375098	FNRMLLLCVUPXOY-WSDLNYQXSA-N	513.506	3.716	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	8451485	NRNAUNILJRBQMG-UPWSPCOFSA-N	601.681	3.921	10	40	KHCB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/N(C)c3ccccc3C2(C)C)c(=O)n1-c1ccccc1	97964003	UIQYPISYMPDWQY-WMZHTAMBSA-N	578.694	3.942	10	40	KHCB	
O=C1[C@@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100506387	QIYIWFZEMHQLGM-ACRUOGEOSA-N	594.317	3.895	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	169617038	GOJVYIANGUBDLN-NJDAHSKKSA-N	502.866	3.943	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408536888	TUHUKRHFRLOVBF-KCKMJXOZSA-N	531.521	3.873	10	40	KHCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1	12274914	WHBGBEVNCRHNNL-UYRXBGFRSA-N	501.611	3.637	10	40	KHCB	
Cc1cccc(OCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	20205689	YBUVOYJFDJVXTI-QGUUBAPPSA-N	507.597	3.650	10	40	KHCB	
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12	70672654	OQYASPNAHCBYHV-LSMVNSQTSA-N	508.530	3.986	10	40	KHCB	biogenic
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	408992988	UINPCIDONJOQBU-GJZGRUSLSA-N	577.600	3.785	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	1899361	RGKYMALBZMHHJV-STZFKDTASA-N	554.675	3.610	10	40	KHCB	
O=C1[C@H]2[C@@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1	97949489	YPQCUAMGKLLNMC-QHAWAJNXSA-N	549.320	3.986	10	40	KHCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)C(=O)NC2=S)cc1	409378226	NMFJHRVXYAKGRW-NTUHNPAUSA-N	604.207	3.995	10	40	KHCB	
COc1ccc(O)c([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccc3c(c2)OCO3)c1	668954	VHOVVJSETBDMEB-OAQYLSRUSA-N	512.316	3.804	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)C(=O)NC2=S)c1	408744030	YEXKJHYVQZAGCU-VGOFMYFVSA-N	506.334	3.596	10	40	KHCB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCOCC1	409130089	TYSAEDZSLHDHRZ-NAGKPISUSA-N	550.500	3.643	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)OC	409400221	QPXFWAMDXKUAOS-ZROIWOOFSA-N	509.740	3.514	10	40	KHCB	
O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(O)c(O)c1	3442077	SZGFYSFKCXNVHV-UHFFFAOYSA-N	537.619	3.556	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc(OC)c(OC)c(OC)c3)c3sc4nc(C)nn4c3O)CC2)cc1	23158048	WZXDGHSTUWRZRO-JOCHJYFZSA-N	525.631	3.751	10	40	KHCB	
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1	57054060	QRQZGETZEPHMNF-HNNXBMFYSA-N	515.408	3.875	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	97964770	SITKBNXFRSCSLZ-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C(=O)N(C)C1=S	164431931	RLIVJVXYCUQHKX-UHFFFAOYSA-N	662.243	3.772	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(=O)O	223186646	IZCJOZULSNNSQV-UIOOFZCWSA-N	519.671	3.882	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408894411	HVRVLMIVYKIIJS-AQTBWJFISA-N	510.499	3.577	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409365026	SFGKIOZONNFRGN-GRSHGNNSSA-N	539.903	3.877	10	40	KHCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1	2379207	KXUDBNOVNCADLV-CPNJWEJPSA-N	501.611	3.637	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1Cl	101396870	FDIAGOXWDWQFKC-XEOLNKMWSA-N	547.014	3.968	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccccc1F	103856659	ZRGSGFWDZVDMSE-UHFFFAOYSA-N	540.354	3.617	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	409064419	CJORZMFDLQBSKY-WYQLEPPDSA-N	581.694	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2059973	CDNBMOAUSBKNKY-KDSDTBODSA-N	533.650	3.570	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c2ccccc21)N1CCOCC1	59104399	FTZOFTUPYALHMP-MOSHPQCFSA-N	508.987	3.825	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336444	BJWUSPIVSWZVCD-VIZCGCQYSA-N	554.651	3.770	10	40	KHCB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	100863344	WXZBLXANSJSTAK-NKFKGCMQSA-N	549.722	3.597	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497149	JGQRGFBBFTXLFO-MFCBUNOESA-N	565.692	3.670	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1	408753955	CPRMVLSZUPHQDQ-NDENLUEZSA-N	618.443	3.965	10	40	KHCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	409096724	DXIGVBYLJMCUPK-GZTJUZNOSA-N	516.417	3.898	10	40	KHCB	
COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)c(Br)cc1OCC(N)=O	8444178	KKVAMGKRYQIVPV-UUASQNMZSA-N	523.181	3.890	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	13810697	MGPRMFCCTDWQIY-RLKVQFJASA-N	524.668	3.776	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1	97947618	BTRXRYRDSGCTLL-STZFKDTASA-N	556.691	3.856	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1C	97964438	OTKRYLVGXOKLQA-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	100262594	NRNAUNILJRBQMG-PIXWUVMMSA-N	601.681	3.921	10	40	KHCB	
CCN(CC)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1	100336532	FNVGVPGGOREEIZ-FREGXXQWSA-N	555.683	3.738	10	40	KHCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	102470980	YZHWUEDVVVWLRC-PAMLCIOASA-N	504.616	3.525	10	40	KHCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	112230137	HTQRLGCRLGSERF-QJOMJCCJSA-N	523.571	3.744	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409075857	YPBRWLLAVFBLFS-VXLYETTFSA-N	522.897	3.998	10	40	KHCB	
O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1cccc(F)c1	409398469	BBTPRRLHLWFGDJ-NVMNQCDNSA-N	555.316	3.975	10	40	KHCB	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O	8858608	FEUKKKXECGACQS-PGMHBOJBSA-N	524.668	3.904	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	100948095	AHZCHYXQQHUMLW-HKOYGPOVSA-N	606.730	3.747	10	40	KHCB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1	225596255	JSMJASRZMXZFCS-UHFFFAOYSA-N	509.628	3.816	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408939232	LYJDQBJRMHLIOX-YBFXNURJSA-N	615.414	3.898	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	409186127	WZXDOXUPAHQMBT-KMRXCDNJSA-N	562.406	3.693	10	40	KHCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	8819543	XSQDZLRMNUGCAU-WQRHYEAKSA-N	501.542	3.707	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	13304587	KEMGLYBNPSPUKG-FDFHNCONSA-N	501.878	3.764	10	40	KHCB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1C	41077786	OOYOSFWSWLJGTD-OEMPCWLZSA-N	512.613	3.773	10	40	KHCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(CC(C)C)SC5=NC4=O)cc3)nc2s1	41083001	DQGNFCQSSLECGJ-CGQRCSLRSA-N	521.628	3.958	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	103856616	QUVPZCHLMGYWJZ-UHFFFAOYSA-N	520.361	3.544	10	40	KHCB	
C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1	225952237	RYZHYZMVVDSENN-SFTDATJTSA-N	509.724	3.882	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	408800985	QVVCPDWCZVXLOT-MHWRWJLKSA-N	564.332	3.542	10	40	KHCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	408870689	UIROPRJEIFKUJL-BUVRLJJBSA-N	522.579	3.952	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	409063389	BCEJKSDQCKVPSH-UHFFFAOYSA-N	580.663	3.547	10	40	KHCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12	409139928	CDUPIQYEIIXWDF-CHEHYYRPSA-N	513.685	3.879	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)cc2Cl)cc1	408946190	YLGLCDSZRDGDJC-XDHOZWIPSA-N	540.937	3.781	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)cc1C	408949295	AOMNKBYFWMNIMZ-WUXMJOGZSA-N	515.101	3.930	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409345640	JTZOHOPRTLUWOM-WQRHYEAKSA-N	537.015	3.845	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	6147291	DFUGCXJRIHMKMU-JGTYQCAFSA-N	586.508	3.644	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)c(OC)c1	8451795	BCSJZFNDSFEOQR-RGVLZGJSSA-N	519.579	3.949	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1	100660237	NNXZXWCUMPAEOX-SJJVXOANSA-N	535.666	3.662	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	103858903	PRLPKJZKMNNISN-OVCLIPMQSA-N	582.201	3.829	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409060069	SDLSEYZTRDSTGV-QTTRZTASSA-N	547.677	3.724	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)OC	409332185	QGITZMNEEIYXNJ-WOJGMQOQSA-N	628.466	3.797	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1	13632131	NDVUAJKCCPOVQU-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	20572217	QRDCMAVLQDFTAH-ZFWHIUCFSA-N	518.639	3.921	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408534064	LATLCMABKJGDGE-YBFXNURJSA-N	500.463	3.618	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408537841	XPVPNTKNOUCPSA-QOLNFIGPSA-N	504.539	3.964	10	40	KHCB	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	51353930	LQJBRCPEMVKYGQ-WDNCENIBSA-N	509.609	3.581	10	40	KHCB	
O=C(c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	97996161	OSESNQLLAXEWBB-UHFFFAOYSA-N	612.542	3.946	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100870225	FFEDQZWHQDGVJO-PYCFMQQDSA-N	535.695	3.567	10	40	KHCB	
Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c3ccccc32)c1	102475367	CJDOKEQHVBXVHY-BOJMXSMESA-N	526.622	3.866	10	40	KHCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409020730	SNUFGCHRCBLRJE-WCIBBKAISA-N	513.550	3.968	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	409051620	DIBHHHIEQSMSTA-OGRZUZBBSA-N	517.651	3.716	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	409256163	KEWGSZHNGCQVME-STZFKDTASA-N	514.494	3.896	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)O	409377662	JZHUPGHHRPWKFL-CXUHLZMHSA-N	533.400	3.705	10	40	KHCB	
O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1F	409378307	NPUHKMWGQFCODZ-PDGQHHTCSA-N	509.877	3.869	10	40	KHCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)c2C)c1	13095519	JCUVOWYZRKXUPH-DFNIBXOVSA-N	509.555	3.789	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101482349	SEINZSSVZMCFNK-YTFSRNRJSA-N	512.474	3.607	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccccc1	408983470	KOCZPZRTNQPMNL-XGLZOBASSA-N	541.629	3.935	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(I)cc(Br)c2OCC(=O)O)SC1=S	409375815	PNQGPIHGRKIFNM-WMZJFQQLSA-N	528.187	3.738	10	40	KHCB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)n1	1907795	PTNBBVQLVBOSDT-MOSHPQCFSA-N	539.664	3.734	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2	2645196	XAXOEEJILUJDEX-UHFFFAOYSA-N	552.527	3.936	10	40	KHCB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1OC	6135978	FTAHOTWBFCVQLB-AREMUKBSSA-N	588.690	3.612	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=O)N=C2S1	97964783	RSUJAARHIZADKM-MWSWQAFZSA-N	547.412	3.680	10	40	KHCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	101094973	UQUMHLFAVGFIJT-KEBDBYFISA-N	544.611	3.744	10	40	KHCB	
CCN1C(=O)/C(=C\c2cc(I)cc(I)c2O)SC1=S	105668312	LIGMPGLQPZFWDK-RUDMXATFSA-N	517.151	3.823	10	40	KHCB	
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(O)ccc2c1	263600438	JZGWEIPJUAIDHM-UHFFFAOYSA-N	538.537	3.854	10	40	KHCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	409072279	MXZQVGZDDPQVGV-CPNJWEJPSA-N	543.351	3.589	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1C	409212434	MFTGYWJRFPUMIF-LPYMAVHISA-N	504.518	3.860	10	40	KHCB	
COc1ccc(/C=C2/SC(N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc6c(c5)OCO6)SC4=S)CC3)=NC2=O)cc1	6148488	QGDPCXBGZQQEKW-DFEHQXHXSA-N	622.750	3.830	10	40	KHCB	
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccc(C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12	150475284	KZIQIRYGVUPTBY-ZIADKAODSA-N	664.652	3.912	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)CC2)cc1	408557270	GEGAOHVECRYMLD-UHFFFAOYSA-N	560.470	3.986	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)Cc2ccccc2)cc1C	408711065	USOISTJAHUGUKS-UHFFFAOYSA-N	537.682	3.942	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(O)c(I)c3)C(=O)NC2=S)c1	408741321	PCZZDUHOBYHCQV-AWNIVKPZSA-N	620.206	3.831	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1	100860876	NOBTVCYPQNISCF-ZHZULCJRSA-N	538.651	3.777	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100861011	ZFXUOQOJUCWKKD-JWGURIENSA-N	535.695	3.949	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260801501	ZPTQMFNSLSXHKK-VXKWHMMOSA-N	529.703	3.762	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3Cl)CC2)cc1	408636217	ZBPMUHDJYAQEAI-UHFFFAOYSA-N	556.084	3.823	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	408884144	WZBRTLAQMYJTDG-BUVRLJJBSA-N	522.579	3.952	10	40	KHCB	
O=C(O)COc1c(Br)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	408964784	SDNBOYHCKMDGEK-AWNIVKPZSA-N	605.566	3.837	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)cc1C	408990381	KXSJJPXWRQYXMN-CPNJWEJPSA-N	502.581	3.855	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C	59929856	CYSKWTONSYOGGS-MHZLTWQESA-N	537.682	3.641	10	40	KHCB	
COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108448448	GVEICTMRUVWSCF-HNNXBMFYSA-N	561.499	3.533	10	40	KHCB	biogenic
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c(Cl)c1	111845730	HNMVRBDEZGFKON-UNOMPAQXSA-N	519.004	3.939	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC	409371633	XOWAYFQJDUEFAJ-ZROIWOOFSA-N	521.398	3.853	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1	97964451	CPYQPXIJTXKDMI-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408889421	GPEOJKMAKLDVBA-KGENOOAVSA-N	506.536	3.746	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409022653	FHFSOZIEQVSEHV-OCEWKHMESA-N	519.667	3.899	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccc(Cl)cc1	409217388	CGHZZXWRLPUOOY-CIAFOILYSA-N	520.885	3.932	10	40	KHCB	
CCN(CC)c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409342059	DBWVFEJUMKMOQY-LUAWRHEFSA-N	524.490	3.738	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	409375490	LNNIEQAXYVVPPX-BKUYFWCQSA-N	521.913	3.738	10	40	KHCB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](C)O)cc1	13128960	VIQREZGORXMXTH-URLFABSNSA-N	510.572	3.620	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	97966416	MFVMVQAPIVWRJX-RGFRMHDHSA-N	577.703	3.969	10	40	KHCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)cc(C)c3OC)CC2)c([N+](=O)[O-])c1	105303613	FWORKUQVTPELPA-UHFFFAOYSA-N	523.409	3.520	10	40	KHCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br	408776010	KRRMHVDNZYRIEJ-VGOFMYFVSA-N	507.724	3.629	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	41084079	QHRJICMHUSSBKK-OEMPCWLZSA-N	512.613	3.773	10	40	KHCB	
CCOc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)ccc1OCC(=O)N1CCOCC1	97976750	NTPGMHDFHQVMCZ-UHFFFAOYSA-N	538.572	3.909	10	40	KHCB	
COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	8430604	JGTTXDLZURSXLC-QNGOZBTKSA-N	520.567	3.692	10	40	KHCB	
CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(I)c2)C(=O)N(C)C1=S	59139481	QPJRCQIZNXHBEW-UHFFFAOYSA-N	510.328	3.608	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336514	VWCKWMXBUHPCEO-WXVAWEFUSA-N	532.670	3.624	10	40	KHCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	104945464	PVKPFMQVQXNIRY-INZJWMLVSA-N	542.686	3.772	10	40	KHCB	
Cc1cccc(COc2c(I)cc(C=C3C(=O)NC(=S)NC3=O)cc2I)c1	408921853	CNFJVWACZHOIJZ-UHFFFAOYSA-N	604.207	3.698	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)CC2)cc1	409384265	CCXOKMLHWOYRLK-UHFFFAOYSA-N	509.628	3.840	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cc(C)ccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	28627770	NUXLLOLITFSSKL-MKWGYRPRSA-N	512.635	3.721	10	40	KHCB	
CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	100352929	GLKRNISHGLPLFR-LJAQVGFWSA-N	570.650	3.686	10	40	KHCB	
C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@@H](C)O1	100894500	VCVLUHHNFKQZQR-MGPOACGJSA-N	551.694	3.869	10	40	KHCB	
Cc1cc(O)c([C@@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c2c1C[C@@](C)(O)[C@H](c1ccc(O)c(O)c1)O2	256007878	VWKAFYWVDIOMSL-HMHVXXQSSA-N	590.581	3.988	10	40	KHCB	
O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	2221200	KZWBLHDEBPMJQA-TUBDAXHVSA-N	522.944	3.956	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	20567438	MJWMREKMZDUMNW-XYHYBEPMSA-N	508.600	3.514	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409362562	IBDKOLLGSCPQJN-HYARGMPZSA-N	533.512	3.917	10	40	KHCB	
COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972025	OSHQGFKHGSYSRA-OAHLLOKOSA-N	524.478	3.700	10	40	KHCB	biogenic
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	100137155	ANPIRLSNUCJZKX-AWNIVKPZSA-N	538.148	3.650	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C[C@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1	101174781	QTCNDYRAPFVGJR-PIJBSCNHSA-N	563.657	3.777	10	40	KHCB	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@H]3O[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@H](C)O1	150395330	OHPWLWOBYWTAPY-HHFONBHFSA-N	725.791	3.537	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)c1	408846157	PBUCKGUYMITTEI-HYARGMPZSA-N	516.554	3.657	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408934596	FFIWOUGJCWNEFI-FYJGNVAPSA-N	531.477	3.937	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409400920	VKLHFSJBOXUWNV-ZSOIEALJSA-N	524.165	3.615	10	40	KHCB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	20205654	NLZMZWPLTYWRCN-OEMPCWLZSA-N	512.613	3.636	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	26570612	GMVPAJRBBCNYPI-GYJVZYACSA-N	503.624	3.538	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1	28296208	VYRIJSTUVZANHV-LBKCIFGTSA-N	505.640	3.653	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1	35112699	GUHKNRDSYQOXIX-CALCHBBNSA-N	504.564	3.512	10	40	KHCB	
COCCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S	97957657	YCAMRKRABDMLDE-PGMHBOJBSA-N	556.113	3.831	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	408858619	ZMRXKUZUICSCSA-XYOKQWHBSA-N	515.147	3.852	10	40	KHCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1	408918756	ORFOTBCOLNUSMP-WZUFQYTHSA-N	500.143	3.888	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	409185902	SHWITKOGNVVZAB-ULJHMMPZSA-N	566.632	3.691	10	40	KHCB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	113625649	RTMRURMQRNKXQK-UHFFFAOYSA-N	589.070	3.914	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1O	409240794	IABUDGJURONGOF-OVCLIPMQSA-N	522.364	3.960	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	97964487	NHIYGZFCWPYKLO-ISFIWZGBSA-N	532.987	3.579	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)c(OC)c1	409084152	BQQCVZTXNRKGLH-VXLYETTFSA-N	505.552	3.671	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408878713	BLRSGIWVRNZJLW-RGEXLXHISA-N	524.526	3.967	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409003404	FRHJDPVSHURHTL-KGENOOAVSA-N	517.513	3.859	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)c(C)c1	409230012	WLMPUIFUEGSNNQ-HYARGMPZSA-N	516.554	3.729	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC	1798864	BSRDOFBBGZECRV-GRSHGNNSSA-N	502.570	3.671	10	40	KHCB	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1	97947694	FUGOTFCAGCFBLA-VMTJQQBPSA-N	577.732	3.718	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499503	PBYZDOBNNNGGSZ-DBXPASCUSA-N	571.655	3.911	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1	409088858	HIQWGIYTLHFHGF-XDHOZWIPSA-N	532.421	3.748	10	40	KHCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(I)cc1	409393784	SDCXGJABQYQTQV-UNOMPAQXSA-N	512.307	3.760	10	40	KHCB	
CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	8858006	FPLYBPIMJVNJKK-HKWRFOASSA-N	510.641	3.978	10	40	KHCB	
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)c1	101396252	ZKWQTIWHHKAONX-RFNDTBEZSA-N	526.596	3.562	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c(Br)c(Br)c1O	108422970	IZBLCHMJWNDJLH-ZSOIEALJSA-N	559.236	3.769	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408727039	PIJHQWJFNVEZPQ-YJADQXIJSA-N	633.508	3.573	10	40	KHCB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	408760115	RUAIZHOLLCDCEW-RIYZIHGNSA-N	552.175	3.738	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409199595	IAMCBGZPNCONCG-FYJGNVAPSA-N	502.589	3.868	10	40	KHCB	
CN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C(=O)NC1=S	408914391	XTBSVAQNQRMVLE-AWNIVKPZSA-N	622.197	3.870	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccc(F)cc1	408948165	DXSOWVXWMDOZPD-GIJQJNRQSA-N	537.887	3.892	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	408985640	OFCRAMMBAGYIFB-GKTKDVHMSA-N	571.655	3.943	10	40	KHCB	
Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1C	409269864	AJGOVPOKNSCRGP-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)cc21	408528265	HGMGPDPTUKQSHZ-LVZFUZTISA-N	524.581	3.599	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409070350	YRYAPGKNKQULOW-VCHYOVAHSA-N	602.375	3.800	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	20080569	PIIVTTIDEUSCJM-AREMUKBSSA-N	531.661	3.979	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OC	408866279	HATLMNYVLWWAQW-ZROIWOOFSA-N	508.337	3.530	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCc4ccccc4)cc3Cl)CC2)cc1	409267666	WVZGFCOPBAVBSI-UHFFFAOYSA-N	530.046	3.555	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccccc4)o3)C(C(=O)OC)=C2C)cc1	409005314	UWJGZUBLBUCRLR-LFVJCYFKSA-N	557.559	3.588	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	409223163	FGYXVDGQPCEPFJ-KGENOOAVSA-N	533.924	3.811	10	40	KHCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O	409229143	KHKKVPOPWRUWRA-HZHRSRAPSA-N	500.555	3.975	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4020304	GSHJILBCVDCOQQ-TZRRMPRUSA-N	509.514	3.867	10	40	KHCB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4091176	XHZJVTAXFNBTMO-BHIFYINESA-N	579.346	3.995	10	40	KHCB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	6193891	ISVNSPHNLRTTTE-DEOSSOPVSA-N	534.686	3.954	10	40	KHCB	
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O	164726905	POHOVMCVWCXSLN-WUXMJOGZSA-N	610.971	3.825	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c2=O)=N1	409030483	DMEXESNOGSHPOB-YNMQQHPQSA-N	640.162	3.901	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409073061	USPDMAIQHSNXML-XDHOZWIPSA-N	530.917	3.922	10	40	KHCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1C	409271258	TUQIMAIVPKJNKQ-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)NC2=S)cc1	408762551	PEGJPDNLZWYLQT-JCMHNJIXSA-N	508.577	3.603	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(Cl)c2)cc1	10113334	LJYQFXZSOOAGDU-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409097485	GSWQQXLPFRRXDE-HRIDGTDGSA-N	592.762	3.976	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409362111	FPQNXXPFUAGTHR-MTJSOVHGSA-N	548.483	3.817	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	6135984	FFTYYGBXLCMWSP-XMMPIXPASA-N	546.628	3.734	10	40	KHCB	
O=S(=O)(O)c1ccc2c(/N=N\c3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1	8602787	IRPXADUBAQAOKL-DQRAZIAOSA-N	538.537	3.854	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	13551082	WTPRZTRYVWNMLL-BUVRLJJBSA-N	515.522	3.908	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59883039	XQUYPFWMFOFRHF-UHFFFAOYSA-N	539.654	3.565	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59884618	HLNPASGLSRMYEL-UHFFFAOYSA-N	539.654	3.565	10	40	KHCB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1	100286058	SHXZFVUWAJUJBE-HKBQPEDESA-N	632.743	3.850	10	40	KHCB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1Br	105303585	GJNZQBDNHVOWGI-UHFFFAOYSA-N	523.409	3.602	10	40	KHCB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408686168	MSABIQWEKUWIHN-DSNGMDLFSA-N	532.593	3.688	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409383672	ZKPAOEMNXUFUJB-YVLHZVERSA-N	539.903	3.877	10	40	KHCB	
CN1CCN(C(=O)C2CN(C3CCCCC3)C2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568214	PXDOOTHGNJEJFR-UHFFFAOYSA-N	560.739	3.672	10	40	KHCB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc(I)c1	25393750	QSHZGGPXMDWCQD-UHFFFAOYSA-N	511.271	3.862	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I	408784583	VFTKVGRIZCNONE-UUILKARUSA-N	652.566	3.679	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	409019401	IVLZBVOJDYUJSP-KOEQRZSOSA-N	536.606	3.682	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409373231	GABHBBOVDZHADI-GIJQJNRQSA-N	572.343	3.869	10	40	KHCB	
COC(=O)Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC(=O)OC)cc4)C3=O)SC2=S)cc1	101017041	SQENYVKSWQABLE-FMQUCBEESA-N	558.684	3.759	10	40	KHCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	112230585	OJTKMWPUGXPANK-UQQQWYQISA-N	535.582	3.543	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408855943	HZPGRFCSJYPXBF-GIJQJNRQSA-N	549.923	3.761	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2321836	PNHJGTMWUJZRRF-PGMHBOJBSA-N	521.668	3.559	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1	100863819	BLCCBHNAESKOIX-PGMHBOJBSA-N	549.678	3.683	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	409225038	OAJDGUVTZJTBMO-LFYBBSHMSA-N	512.733	3.576	10	40	KHCB	
CCOc1c(I)cc(I)cc1/C=C1\SC(=S)NC1=O	409344165	FXAZYWMZLBBUIT-WTKPLQERSA-N	517.151	3.783	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19973341	GEVZWOACRPOSET-RUZDIDTESA-N	517.634	3.589	10	40	KHCB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	105352949	GTBYZNFVGLPOEC-VZUCSPMQSA-N	580.711	3.653	10	40	KHCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	106710932	KVNCSRMLAZBPAO-UCQKPKSFSA-N	589.512	3.588	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCc4ccccc4C3)nc12	26842094	MNKGZVMURXKTHW-ALFKQNEGSA-N	518.664	3.946	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)ccc21	408537100	ZDFCNHDPFCDCJP-FOWTUZBSSA-N	526.391	3.801	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OC)cc4)C3=O)SC2=S)cc1	101016970	YCLUTHXKSCNJKO-FOCLMDBBSA-N	530.630	3.901	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1c(C)cccc1C	101394476	JBNLYPOKBYGSFT-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408534473	MAZWGABAGLSKKH-PZBCRXGTSA-N	543.488	3.897	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C2=O)c(OC)c1	408540867	CGSGROONFIAVRD-YBFXNURJSA-N	515.478	3.664	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)c(Br)c1O	408955143	SSKNMYDGBWICKH-VZUCSPMQSA-N	554.147	3.711	10	40	KHCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O	409239284	CWZUKBWDWYPFBM-BUVRLJJBSA-N	500.555	3.975	10	40	KHCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@@H](C)O1	1275778	YFUVGIFMSIQAEH-YMNHORQBSA-N	551.694	3.869	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccccc1C	97964727	IJVPAEBRAGMGAA-UIBINATQSA-N	542.639	3.863	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408534885	MUTGAZLHTVRYIX-VCHYOVAHSA-N	612.332	3.914	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1	408688129	PZJQPVVAUSCVCR-ACRUOGEOSA-N	500.473	3.750	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)OC	408986164	ZWBLWNJHEICABF-YVLHZVERSA-N	531.359	3.628	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(I)c1	409390731	GTBHZEXXJMBXOC-YBFXNURJSA-N	512.307	3.760	10	40	KHCB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	102061272	XHZJVTAXFNBTMO-BHDDXSALSA-N	579.346	3.995	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC	108422858	LMFLPUCAVYEJCP-YVLHZVERSA-N	555.394	3.542	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccccc4)o3)C(C(=O)OC)=C2C)cc1	408843584	GDSVEYBVZXEJDE-LFVJCYFKSA-N	529.549	3.810	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408855885	HSPZPYOFVCPBDX-IZZDOVSWSA-N	621.236	3.990	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)cc1	408949982	CWTDDNSFTVFEAM-IZZDOVSWSA-N	501.074	3.622	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100553051	BPKDILXPVPYCLA-TZRRMPRUSA-N	525.513	3.567	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408535430	OBYOEMNLYXNGEE-HHNKFYTBSA-N	518.522	3.684	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1	408816599	UYNTVOLWGNKUCX-HYARGMPZSA-N	501.451	3.627	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408904647	MPVGUCGUJVBNQP-UHFFFAOYSA-N	593.443	3.615	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c1	408967432	RHLRBLWNFDCPSQ-IWIPYMOSSA-N	516.554	3.811	10	40	KHCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(CC)sc5n4)cc3)C(=O)N=C2S1	41083338	MDDVLICTBGJYSF-MEOLDJOHSA-N	507.601	3.712	10	40	KHCB	
Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	100763812	YYRUTJDPAXHYML-HQOKVJKCSA-N	536.635	3.724	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377494	NPZPHBFJGJCUSQ-ZTKZIYFRSA-N	576.719	3.859	10	40	KHCB	
Cc1ccc(COc2c(I)cc(C=C3C(=O)NC(=O)NC3=O)cc2I)cc1	408889965	LVYCMYIOEOADNF-UHFFFAOYSA-N	588.139	3.533	10	40	KHCB	
CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O	693143	JWNCJDATFAMCHR-RIYZIHGNSA-N	541.139	3.724	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1	101396390	AVQSNKLIXPUFSL-OQZKWKKUSA-N	542.639	3.943	10	40	KHCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1I	408553066	WQWNHQPNXAGDMV-UKTHLTGXSA-N	513.154	3.885	10	40	KHCB	
Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1C	41077778	GYRLBKWQAXUPKZ-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CN(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1Br	9293605	XWGKLORHPMURKM-YLKBQPAQSA-N	503.426	3.537	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1	408534859	MSBVZEWJPQCVMZ-MOSHPQCFSA-N	532.505	3.607	10	40	KHCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	408777501	AUDCFOIFTYTRFV-AWNIVKPZSA-N	528.142	3.974	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1	408802007	XTSLAMWZFKICQY-CXUHLZMHSA-N	564.332	3.540	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1	408802255	XWBLQKXCQBCGEV-HYARGMPZSA-N	501.451	3.627	10	40	KHCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409010814	LPPHODVFTACABH-UHFFFAOYSA-N	557.628	3.681	10	40	KHCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC(=S)N1C[C@H]1CCCO1	97947557	YRWUVKDXYLFERL-QADUPLGGSA-N	596.756	3.940	10	40	KHCB	
Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	13810556	UVRRBNDXALHGSM-UCQKPKSFSA-N	514.538	3.530	10	40	KHCB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1	59489943	SDNWRQFUKXOXNG-UHFFFAOYSA-N	508.487	3.583	10	40	KHCB	
Cc1cccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c12	96222542	HXRAHFVAPYPQIK-CQSZACIVSA-N	513.458	3.873	10	40	KHCB	biogenic
COCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	100861859	CYRMGNVCXOLSBD-QNGOZBTKSA-N	540.667	3.522	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(Cl)cc1	101396591	BHVFDQVBMGWAFI-IXNLWNGPSA-N	547.014	3.968	10	40	KHCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409083077	UMGLNIHAMBVUCJ-RQZCQDPDSA-N	505.346	3.841	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409196234	OGGCVZWTRKIOCU-UDWIEESQSA-N	505.017	3.992	10	40	KHCB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)c2)cc1	408635637	GHNIJSZOJBMUFI-UHFFFAOYSA-N	546.045	3.886	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6135977	CAUVBKZRBDFSCK-HSZRJFAPSA-N	548.694	3.652	10	40	KHCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	97946608	YKQHFYJQDCCGFI-UUMRFZBWSA-N	539.660	3.699	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1	408527783	ABTDXCJFLUWOST-NDENLUEZSA-N	532.505	3.607	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(OC)c(Cl)c4)cc3)CC2)cc1	408562355	ZFWXRSUPYKCYRF-UHFFFAOYSA-N	546.045	3.886	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1	409069082	BZQKTUFSYWECKY-XSFVSMFZSA-N	540.937	3.561	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)c(O)c4)cs3)cc2)nc(OC)n1	9553698	SPULGBDNZKIOEX-UHFFFAOYSA-N	501.546	3.573	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	41084063	MLGJSOFMBSKTRP-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
Cc1ccc(N2NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)cc1C	105589519	QDENVAJUCAHFFN-VGOFMYFVSA-N	560.129	3.680	10	40	KHCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O	408535333	SGZLQOWWINPFMA-XDJHFCHBSA-N	543.967	3.751	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1Cc1ccccc1Br	408877657	XGWAUVMKRFGXDI-UHFFFAOYSA-N	510.207	3.725	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409372567	FEOGFMJZAQSSSA-VCHYOVAHSA-N	554.353	3.730	10	40	KHCB	
O=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	218374180	QJUIAQBWQMAJFS-SFHVURJKSA-N	529.471	3.591	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(C4CCCCC4)C(C)=C3C(=O)OC)o2)cc1	408847355	UIEYQRHDGPEFOH-LFVJCYFKSA-N	563.607	3.717	10	40	KHCB	
O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S)c1ccc(Cl)cc1	409331477	NGWFGLCPKLWTML-PDGQHHTCSA-N	504.977	3.631	10	40	KHCB	
CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6076952	UQSHFCUQXRHBNM-QFIPXVFZSA-N	526.638	3.580	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccc(C)cc4)S(C)(=O)=O)cc3)CC2)cc1	22231818	MSWLSNUTNLEOQY-UHFFFAOYSA-N	523.655	3.697	10	40	KHCB	
COC(=O)C[C@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O	263585329	HLWYLVBXDHBBHY-OAQYLSRUSA-N	563.607	3.532	10	40	KHCB	biogenic
Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c1	408955114	WHVKHOYRELJVSB-IZZDOVSWSA-N	517.142	3.786	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1	2310829	DGQAKNDVROYUPF-GTWFGUSFSA-N	535.666	3.749	10	40	KHCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1	8741405	YWJZDEWBEUIUKZ-NMESBGBPSA-N	520.615	3.743	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223694632	LYCHNWJQPGUEOO-BJKOFHAPSA-N	509.588	3.942	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3F)C2=O)cc1	408890921	IKWCEDGATAXQGB-FYJGNVAPSA-N	504.470	3.866	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050260	SZBDHWVUCVPQRN-QYIOYSLNSA-N	673.744	3.855	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409060284	ZFXIANHQGIZEJE-WUXMJOGZSA-N	525.109	3.795	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	409065708	IXTPFUZUFNPXPK-UUILKARUSA-N	558.566	3.995	10	40	KHCB	
O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1F	409400919	VJHPASHBXYETDO-YBEGLDIGSA-N	510.865	3.866	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1Cl	41077806	NMAKGJSTDXWKHG-GQFJHEMJSA-N	504.977	3.549	10	40	KHCB	
COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108451405	XAVDGEVPMHMLHI-OAHLLOKOSA-N	545.500	3.535	10	40	KHCB	biogenic
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223693662	YMSDFLJGXVMLHF-DNQXCXABSA-N	509.588	3.942	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)C1=O	408528475	GDQVGXASGZLZSS-OBGWFSINSA-N	581.471	3.771	10	40	KHCB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)cc21	408532174	PVWCRXQPOZDIGK-SDNWHVSQSA-N	571.388	3.709	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1OCC	408943081	XYIQYJQZXAKGMO-TXSSFMROSA-N	601.681	3.921	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1	408999997	DKKVKFOFKYWEEW-HAHDFKILSA-N	522.598	3.523	10	40	KHCB	
O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1F	409376666	CJPXAUWOUOLZSH-PDGQHHTCSA-N	554.328	3.978	10	40	KHCB	
O=C(O[C@@H]1Cc2c(O)cc(O)c([C@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1	85645395	VLFKNLZNDSEVBZ-BTWXELLASA-N	730.631	3.977	10	40	KHCB	endogenous,in-man
COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	102558797	BZWQMNQUEFAQPY-FDFHNCONSA-N	579.346	3.995	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cccs1	408979013	BMDZCPZGMYUJNW-XPCGLTFESA-N	547.658	3.966	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	97947295	OLAFOUKPRBFKGJ-FYYJVHHASA-N	565.696	3.849	10	40	KHCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)C(=O)NC1=S	100068664	YSKXFYJXMNUZDB-IZZDOVSWSA-N	590.180	3.741	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223143890	NLTZXWZPESPIFW-KAYWLYCHSA-N	504.704	3.860	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409097761	NLWATLLLEHSRII-RJFKIUDMSA-N	632.724	3.728	10	40	KHCB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O	409351236	ZTJDASRQICCUQG-RIYZIHGNSA-N	513.416	3.609	10	40	KHCB	
CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6076942	UPLDWVPEAPTKJN-QFIPXVFZSA-N	526.638	3.580	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](C(=O)OC)(c4ccccc4)[C@@H]3C2=O)cc1	33938644	FOPBPMHDNXUDOV-VWDBNSKXSA-N	513.594	3.670	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499586	NVEXMNWHYCTTRL-XQJRBFNUSA-N	576.900	3.986	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1	408926144	PKSGKBXUYGRDCC-UHFFFAOYSA-N	530.046	3.901	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	409258173	RTXAROIRTAKENM-JCMHNJIXSA-N	527.533	3.774	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409374991	CQJXLKQGWANXEX-JCMHNJIXSA-N	515.522	3.778	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1	9659777	HEKZRIXWCSZYDW-UHFFFAOYSA-N	519.417	3.837	10	40	KHCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1C	408857166	SHZNVNZRKLUEHC-CIAFOILYSA-N	501.495	3.774	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408933880	BXJHKDUVRKNSAQ-KGENOOAVSA-N	550.545	3.526	10	40	KHCB	
O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1	409047535	OGWJGVFCIDMJDJ-DEDYPNTBSA-N	520.885	3.932	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)OC	409376983	DFBAURPSFULVRF-LICLKQGHSA-N	594.427	3.635	10	40	KHCB	
COC(=O)COc1cc([C@H](CC(=O)OC)c2c(O)c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)ccc1OC	108449431	KJASBHVGXHWVMA-KRWDZBQOSA-N	550.516	3.832	10	40	KHCB	biogenic
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OC(C)C	408902538	JHPJIIDDCWTORN-OVCLIPMQSA-N	524.286	3.893	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C(=O)NC2=S)cc1	409018559	HRJHODJYXMLRTA-UDWIEESQSA-N	506.540	3.851	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccc(OC)c4)c(Cl)c3)C(=O)N=C2S1	97964784	RNUUZKBYKBCHCB-VBPVLXCYSA-N	532.987	3.579	10	40	KHCB	
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336571	KSCBSPABIKBXLZ-PDDLMNHVSA-N	540.668	3.871	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1	100336614	ZZELVJDMYFEIMK-NSJVFKKDSA-N	596.688	3.540	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1Cl	409252520	SXWNCERJSQRZTL-WLRTZDKTSA-N	571.609	3.704	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1	97964773	KGYWSNCHNYPRHS-UIBINATQSA-N	542.639	3.863	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223659679	CBZAYLNGBYRZAS-DNQXCXABSA-N	509.588	3.942	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Cc1ccccc1Br	408874760	AHLFXEIRUCNPRV-UHFFFAOYSA-N	557.207	3.567	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1F	409048547	RUTFDFLDNZHCBN-UHFFFAOYSA-N	514.170	3.844	10	40	KHCB	
COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c1=O)S2	4016942	PNNFHKYFDYPZEE-YFMKTMAWSA-N	526.643	3.789	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	103857169	JSGIFORTLFDYNZ-UHFFFAOYSA-N	580.400	3.566	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1I	408741093	KCJUQAKQNRHHCA-KPKJPENVSA-N	589.196	3.769	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	408833947	XPOSXEANDFMXKK-ZGOFBEGVSA-N	571.655	3.913	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(N)=O	409224368	JMDBKKUREIHXNX-RGVLZGJSSA-N	580.391	3.567	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(I)c1O	409249738	LFBGJQMBQHCPFM-RIYZIHGNSA-N	522.364	3.844	10	40	KHCB	
CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	9310207	HMMFZAPNDXYYLM-QGOAFFKASA-N	504.328	3.716	10	40	KHCB	
CSCC[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21	103001388	AYKAMQICLVRIND-FBAVSBLXSA-N	539.835	3.835	10	40	KHCB	
COc1ccc2occ([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	108448433	YWPNBVYHGDARNQ-ZDUSSCGKSA-N	530.441	3.838	10	40	KHCB	biogenic
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223189383	VAXBQIVUOHKMLB-SVBPBHIXSA-N	519.671	3.913	10	40	KHCB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2)cc1	408675035	PKMRNAIJJTZGQP-UHFFFAOYSA-N	525.627	3.541	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC	408741106	KDVJJZDIJCFZBM-DHDCSXOGSA-N	522.364	3.838	10	40	KHCB	
COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c3ccccc32)o1	409392398	MAKROKLFURFPTD-FYJGNVAPSA-N	515.547	3.909	10	40	KHCB	
CCOc1cc(CN(CCCO)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN1CCOCC1	2037924053	GAOHXRLOHJYYBW-HHHXNRCGSA-N	539.717	3.613	10	40	KHCB	
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108447397	FLCMQBPEEHBKIL-INIZCTEOSA-N	557.511	3.885	10	40	KHCB	biogenic
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1	223164621	YQQPZNSPFFJTIF-UIOOFZCWSA-N	519.671	3.580	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408807264	KUUCWAPTPQBWES-LPYMAVHISA-N	503.467	3.857	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)c2C)cc1	2645041	JKXRJINPMQOPIW-SANMLTNESA-N	515.566	3.835	10	40	KHCB	
N=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	9209811	SRBAZGIDNUVMIJ-VFWYHHDWSA-N	517.567	3.626	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408885680	DTDSDOCTBCSBLG-KGENOOAVSA-N	506.536	3.746	10	40	KHCB	
CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O	409342597	BUMRTJAOZMVHRD-WMZJFQQLSA-N	575.187	3.580	10	40	KHCB	
CC(C)N1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	1451381	RUGYYEHGWKBICL-HKWRFOASSA-N	509.632	3.770	10	40	KHCB	
COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OC(=O)c1ccccc1Br	13945527	GFKNZDXVRUBWLU-UYRXBGFRSA-N	503.374	3.979	10	40	KHCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c([N+](=O)[O-])c1	223147204	RBEPRYAZIQQWPN-IZZNHLLZSA-N	536.658	3.711	10	40	KHCB	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2)CC1	225794183	JWHOGSOFECJAMV-UHFFFAOYSA-N	543.114	3.995	10	40	KHCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccco2)C1=O	408527943	AKKBHRDUCZJGEX-QINSGFPZSA-N	511.284	3.936	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	408824812	AUNATXHSMQJUHS-BIWBSIMWSA-N	571.655	3.913	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	408896958	VAHWKSRXXWUFNJ-DEDYPNTBSA-N	512.927	3.788	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C2=O)cc1	409386295	RYOPBQGPORYGQC-XDHOZWIPSA-N	506.467	3.631	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)c(C)n1-c1cccc(C(F)(F)F)c1	3380250	HKSVWXCQUCXUOZ-UHFFFAOYSA-N	512.481	3.956	10	40	KHCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	102760530	OBOTURLJNDQZNG-RNDHPAASSA-N	511.007	3.616	10	40	KHCB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1	409172637	DXLWIVAGVCVHIG-NDENLUEZSA-N	514.585	3.828	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	100371966	IZPDMSVRORGIJJ-HKBOAZHASA-N	502.866	3.943	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223207712	IHQATNJLNXLNMF-KAYWLYCHSA-N	533.698	3.971	10	40	KHCB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1	408688137	PZJQPVVAUSCVCR-QHAWAJNXSA-N	500.473	3.750	10	40	KHCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	408814093	RJULPTYVOULQJT-CIAFOILYSA-N	503.536	3.630	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	100860387	UMWWLDFHPRYDCG-LTGZKZEYSA-N	567.668	3.535	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408768534	XUFMGKNRYXMWBY-VLOXRPPESA-N	544.446	3.766	10	40	KHCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl	408777900	LJPAOBVXGCELMM-VZUCSPMQSA-N	525.739	3.803	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	408850326	LJPDBEOMPITSJL-WUXMJOGZSA-N	591.118	3.743	10	40	KHCB	
CCN(CCc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12)C(=S)NC	9129212	XPOLBVGQZOOVLX-XMHGGMMESA-N	510.019	3.856	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC	97962111	QYEMSCQAZKRAAY-MFOYZWKCSA-N	537.413	3.556	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	105499591	NVEXMNWHYCTTRL-RZXXJPOTSA-N	576.900	3.986	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	408766058	OFYGLNXRLOVBQA-OQLLNIDSSA-N	613.202	3.970	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038934	PXIXFDPECCHUJC-PEPUGYCWSA-N	687.771	3.943	10	40	KHCB	
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br	409225867	RTHAONPSEMSRSH-UDWIEESQSA-N	550.365	3.559	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	16267946	QVFAZROJZVUNJH-UHFFFAOYSA-N	518.389	3.847	10	40	KHCB	
COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC	108448819	HUUDGLAACXYPLX-ZDUSSCGKSA-N	522.462	3.749	10	40	KHCB	biogenic
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCCC2)cc1	408636304	NVHSGKUGAVPUET-UHFFFAOYSA-N	515.676	3.766	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409334630	HULDYUFXFDZNCO-PIXWUVMMSA-N	599.665	3.721	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O	409341866	CNKJLLQWGIEWGC-WOJGMQOQSA-N	551.440	3.946	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1	409375998	RXKXESJIIYSWJA-WQRHYEAKSA-N	581.940	3.958	10	40	KHCB	
COC(=O)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1	1565524980	ZWILKLDQXGLHIT-XTEPFMGCSA-N	508.578	3.819	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100131320	VUSUOUCIDZIQSR-BHIFYINESA-N	500.438	3.737	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408727033	PIJHQWJFNVEZPQ-XOYGFPHKSA-N	633.508	3.573	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(OCC)c3)C2=O)cc1OC	409125255	LLGKKLLBIOYRIS-RQZCQDPDSA-N	591.411	3.771	10	40	KHCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	409265384	UOENMZIUPIHTAV-BKUYFWCQSA-N	500.467	3.587	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1	6089858	LKNFSFJVVXNVFF-OEAKJJBVSA-N	512.522	3.616	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)c1	100192357	ZFYBZYVAQUXWLC-AWNIVKPZSA-N	588.139	3.885	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(=O)O)c1	223186723	OTXFZQPELFYXFY-CLJLJLNGSA-N	519.671	3.882	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)C2=O)cc1	408526819	CLVDHPOVONRHMH-XQNSMLJCSA-N	520.567	3.773	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)OC	408786298	OSIUKBYLJIGYBY-RQZCQDPDSA-N	531.359	3.683	10	40	KHCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	409074292	LLIQHTJKDWKWEW-XMHGGMMESA-N	527.352	3.883	10	40	KHCB	
O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1F	409401421	YJVPCLZUIMRBNV-YBEGLDIGSA-N	555.316	3.975	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1	13803545	FFAGQCPHDHCKQE-GDJNFKMVSA-N	503.565	3.825	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc2)C[C@H](C)O1	97957701	HMUBCAIHRVVUDL-AYUYEROCSA-N	563.698	3.854	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OC(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	97964754	UVYAZMBIMCYSRO-UDYIERFUSA-N	547.014	3.888	10	40	KHCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12	103844263	FDICFZAOKLDEDR-WQRHYEAKSA-N	543.432	3.638	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223144073	NLTZXWZPESPIFW-SVBPBHIXSA-N	504.704	3.860	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223693814	FEXMUCFONUJREO-BJKOFHAPSA-N	509.588	3.942	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC	409014673	XXXYZPSBOOYVTI-OVCLIPMQSA-N	522.364	3.757	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1cccc(OC)c1	409054518	BBLMHUREQFWZMZ-ASSGYOTOSA-N	517.651	3.716	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c2=O)SC1=S	2328383	KHVOPWBLMOVXNR-PGMHBOJBSA-N	521.668	3.559	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	6135943	YEIAWMQZHYHCNJ-HSZRJFAPSA-N	520.659	3.727	10	40	KHCB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	102931341	HBSYYJJDHZQUET-UHFFFAOYSA-N	562.581	3.825	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cccs1	408831421	VNQWMAFBVLAFGK-YMSBRDKKSA-N	547.658	3.966	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408990801	WLRHNPIDIRYKMW-JBDHCHCMSA-N	601.681	3.921	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1	409066584	NNFGZBCMDWJQKX-LDADJPATSA-N	572.349	3.791	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409101266	XQTCTPSRDNPUDV-QHEKLXHTSA-N	530.694	3.712	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409223014	FVNCWMPYWSMYDW-CIAFOILYSA-N	530.493	3.596	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6442237	IFZDIFVMSSWCBY-RUZDIDTESA-N	542.665	3.903	10	40	KHCB	
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	9478054	HCVAQQBOZOCMGX-XSFVSMFZSA-N	509.632	3.690	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1C	41083992	AJFBIZQTRKXIEG-JLFKZYKSSA-N	512.613	3.984	10	40	KHCB	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@H](O)[C@@H](C)O3)c1C2=O	256966642	RZOFHOWMWMTHDX-CPSWTUICSA-N	746.854	3.656	10	40	KHCB	in-vitro
CC1(C)CC(=O)[C@@H](CC2C(=O)c3ccccc3C2=O)C(=O)[C@@H]1C(=O)C(=O)Nc1cccc2ccc(O)cc12	102967956	KBLDJIBQZZQFFC-HYBUGGRVSA-N	511.530	3.939	10	40	KHCB	
COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	105796314	BZWQMNQUEFAQPY-BHDDXSALSA-N	579.346	3.995	10	40	KHCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C	408533729	OWLYZXVXVQPABS-GFMRDNFCSA-N	521.625	3.922	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)cc1C	408776981	UFTAECHGMRLZAS-VGOFMYFVSA-N	588.139	3.885	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409202090	ZJWAIKLJUWBPPI-CAOOACKPSA-N	511.419	3.965	10	40	KHCB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	3377964	ZKMYSEDWIQEEFX-WSSFADSRSA-N	560.028	3.780	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S	8738729	IQDLYMGTJDRFMM-CYVLTUHYSA-N	504.678	3.858	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103855691	HCGZDUFVHSAMAY-UHFFFAOYSA-N	551.331	3.665	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409101335	SRHGUMADOWFOGN-FCYPAOMHSA-N	596.109	3.502	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)OC	409332456	QSDIRCYEHYRIBR-WQRHYEAKSA-N	537.015	3.845	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	20083560	ZCYFLYRVZGKSQS-RUZDIDTESA-N	501.635	3.807	10	40	KHCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1	102476245	YWJZDEWBEUIUKZ-JOPZDBJVSA-N	520.615	3.743	10	40	KHCB	
CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)C(=O)N(C)C1=S	103856269	RIPZYZGKHJJQFR-UHFFFAOYSA-N	523.792	3.978	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1	408528382	FVYJAKBQHOVWPW-SILNSSARSA-N	557.998	3.827	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1O	408888848	BUMRUVRKMFAODZ-YRNVUSSQSA-N	512.687	3.715	10	40	KHCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409068176	KJYCTMSDLYCUBD-MYYVYBLQSA-N	536.657	3.711	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1	409077897	BCIYRWZWZMWKBD-UHFFFAOYSA-N	500.183	3.918	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C(=O)NC2=S)cc1	100215981	RLBLAWXLBCBBHM-AWNIVKPZSA-N	570.215	3.515	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	103851958	XGYNSWONXZFFPI-UXBLZVDNSA-N	608.170	3.875	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223693573	YMSDFLJGXVMLHF-RPWUZVMVSA-N	509.588	3.942	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408904711	NKPQGVIQPYNPCT-UHFFFAOYSA-N	546.443	3.772	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1	408999901	SRJJTXBSYBTDAZ-CSJROMOCSA-N	555.656	3.992	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	1450271	MDLUDGCHJNZOGQ-PGMHBOJBSA-N	505.669	3.941	10	40	KHCB	
Cc1cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c(C)n1-c1ccc(F)cc1	3363518	ROQILCICWDWNRD-SANMLTNESA-N	544.601	3.733	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	103857156	RAUCWPCLZIAXLB-UHFFFAOYSA-N	581.388	3.776	10	40	KHCB	
COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108451402	XAVDGEVPMHMLHI-HNNXBMFYSA-N	545.500	3.535	10	40	KHCB	biogenic
CCc1ccccc1N1C(=O)NC(=O)/C(=C\NN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)C1=O	408534725	WNZANGBUEWQHAM-OQKWZONESA-N	537.576	3.660	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(OCC)c3)C2=O)cc1OC	409131645	YNYPTLKZYSTOMK-CXUHLZMHSA-N	580.375	3.855	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1Cl	97964402	KFFJRKUZXGZHAR-VZKNCDIUSA-N	549.030	3.818	10	40	KHCB	
COc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1	97972067	QGXMDEWVTJXPPK-MRXNPFEDSA-N	527.485	3.878	10	40	KHCB	biogenic
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)C(=O)N1	103757690	FFLLWVPUHHECSA-UHFFFAOYSA-N	516.516	3.591	10	40	KHCB	
COC(=O)C[C@H](c1ccc(OCCN2CCCC2=O)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108448157	HWEMVMXRTCOCDC-LJQANCHMSA-N	591.569	3.684	10	40	KHCB	biogenic
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409069481	XWWFFUZTBQPTAZ-CPNJWEJPSA-N	557.378	3.892	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409098797	QKZYDJFEPVICJV-BSGTYYGESA-N	532.710	3.958	10	40	KHCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1	41077768	VEJLYDFVGRLDSN-MLDLNWIHSA-N	519.004	3.727	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1	59929551	BRBFNOCAUPOJMQ-VWLOTQADSA-N	544.073	3.596	10	40	KHCB	
COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	102558801	BZWQMNQUEFAQPY-BHIFYINESA-N	579.346	3.995	10	40	KHCB	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@@H](O)[C@H](C)O3)c1C2=O	256966640	RZOFHOWMWMTHDX-AYLNNVQISA-N	746.854	3.656	10	40	KHCB	in-vitro
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)NC1=S	408847476	MVHZYPLXXJXCDH-UDWIEESQSA-N	503.536	3.630	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	408903346	RGDBAMPIUIXIPO-FYJGNVAPSA-N	503.486	3.827	10	40	KHCB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	409059780	XJHSBKXCSWVOTD-OWXSRONMSA-N	538.069	3.677	10	40	KHCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	409372314	KAXLKPUGYYSUMJ-VCHYOVAHSA-N	525.311	3.981	10	40	KHCB	
COc1cccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)c1O	15276081	MNQQJSUXXYLZJS-SODQHWRNSA-N	525.561	3.707	10	40	KHCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	103920106	FRHGGASFEKVNGK-ULJHMMPZSA-N	553.597	3.753	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223164817	DCOOCWNBMJVLFM-IZZNHLLZSA-N	519.671	3.580	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034801	OLPGAPJNPMUUGY-PMJCSSHISA-N	673.744	3.885	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2055755	ZAULZFKXBQTSRP-NQCZSQBNSA-N	518.683	3.711	10	40	KHCB	
CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	97964417	FINBKWNWSDYQNH-HELPIZENSA-N	533.031	3.981	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336449	BJWUSPIVSWZVCD-PDDLMNHVSA-N	554.651	3.770	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1	100762324	SSBSCIDBFBYQES-ZHZULCJRSA-N	570.096	3.659	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1	103857249	RBRAFUONFZNVCX-UHFFFAOYSA-N	533.400	3.724	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)OC	408785055	XOLBJKUZSOKCCB-RQZCQDPDSA-N	531.359	3.683	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069208	WRPJPTUCSKEQPU-XDHOZWIPSA-N	542.953	3.878	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409362591	INDFFILBRBXNTK-HMAPJEAMSA-N	561.522	3.695	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)OC	103859412	YZKPLSZLZAZCGZ-OVCLIPMQSA-N	582.201	3.829	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	104147911	WTAOXJCUOZDKMC-MKWGYRPRSA-N	535.666	3.662	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1OCC	408943078	XYIQYJQZXAKGMO-PCLOCDPPSA-N	601.681	3.921	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC	409132986	YWMPNSOTNTUQJS-RIYZIHGNSA-N	522.364	3.757	10	40	KHCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	22830735	VIJRKWAYHPZQSF-AOMYKUFJSA-N	506.628	3.738	10	40	KHCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCN(C(=S)Nc2ccccc2)CC1	100163466	RNEVIOFUHSLUKR-FCDQGJHFSA-N	521.647	3.586	10	40	KHCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c2ccccc21	408773601	RUAIMEHCCZEERV-LICLKQGHSA-N	512.385	3.717	10	40	KHCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409189280	OOZZYNYKMNVPAK-RGVLZGJSSA-N	503.536	3.630	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408921414	ATVPLIMGLNWUER-SXGWCWSVSA-N	543.442	3.673	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC	409352267	WZTBSXZPCMTDEJ-WOJGMQOQSA-N	506.989	3.837	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409363266	LBHYGZGWYQGTKM-MOSHPQCFSA-N	505.527	3.683	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(F)c1	409406032	JHNGAVVGGDKKMI-GRSHGNNSSA-N	587.345	3.918	10	40	KHCB	
Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1	887709	VAYROCTTYMDJLV-NAKRPHOHSA-N	557.655	3.686	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	408901093	VKUMTJXOBKDYOQ-OQLLNIDSSA-N	599.175	3.662	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC	409146433	UBXKCNQKNYSTNC-PXLXIMEGSA-N	580.615	3.922	10	40	KHCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	409373303	GUUMPGSZJFFXGQ-YBFXNURJSA-N	525.311	3.981	10	40	KHCB	
COc1c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70672182	OARHUYCKOKETKI-JCMHNJIXSA-N	545.523	3.544	10	40	KHCB	biogenic
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	112232339	RLNBBGAVPLCMDV-KQWNVCNZSA-N	541.561	3.883	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	113832954	RFCACRKZZHOXTR-KGENOOAVSA-N	506.536	3.746	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)OC)c(Br)c3)C2=O)cc1	408984488	RLYVDDBVONJEJA-NVNXTCNLSA-N	566.202	3.992	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409096405	FRJLIYWCBPBJEX-GARKAJJMSA-N	654.793	3.925	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	409345968	MWGKRGJVWVFINH-OQLLNIDSSA-N	604.469	3.849	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1F	409405900	ISSYUDRJYNMPAY-BOPFTXTBSA-N	587.345	3.918	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2107605	FXKWVJKZOFVETQ-CMISJSSVSA-N	541.677	3.667	10	40	KHCB	
Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)oc2N2CCOCC2)cc1	2250242	OBMUBVXYQSPUBX-QGOAFFKASA-N	531.637	3.647	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	9071823	PEILBUQASSSWGA-HKBOAZHASA-N	502.866	3.943	10	40	KHCB	
O=C1/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	71787452	CXUOWHQWWKLZGL-KNGGAZFVSA-N	504.637	3.637	10	40	KHCB	
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@@H]3C[C@](C)(N(C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@@H](O)[C@@H](C)O3)c1C2=O	256966646	RZOFHOWMWMTHDX-WSBQRAEJSA-N	746.854	3.656	10	40	KHCB	in-vitro
C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)N1CCOCC1	408591540	IREYPURXRHSNTA-GOSISDBHSA-N	529.014	3.998	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)OC)c(OCC)c3)C2=O)c1	408847375	UNXOJGCHZFDSKL-LICLKQGHSA-N	546.960	3.754	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409045272	FZGOHQBMKNUEHY-HYARGMPZSA-N	544.520	3.986	10	40	KHCB	
Cc1ccc(C)c(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	20206111	PGTZLICJAVCOCF-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	35883660	QRDCMAVLQDFTAH-PUUVEUEGSA-N	518.639	3.921	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96221434	IANSWINFVIDUFM-LBPRGKRZSA-N	500.406	3.961	10	40	KHCB	biogenic
N=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101102133	NLXCMFONYVMNAU-KZVRHOHFSA-N	524.002	3.787	10	40	KHCB	
Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408689535	SCDGDNDEAYSJCL-RZUBCFFCSA-N	525.399	3.802	10	40	KHCB	
Cc1ccc(COc2c(I)cc(C=C3C(=O)NC(=S)NC3=O)cc2I)cc1	408900834	XYDDBBHKXHHTMF-UHFFFAOYSA-N	604.207	3.698	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409380482	FJNGVVRKIGHBHN-HKWRFOASSA-N	515.522	3.778	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6077429	VLJRYRHTGAATRA-OAQYLSRUSA-N	526.638	3.722	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)OC	100205752	JKGUCHODCVSCRZ-NVNXTCNLSA-N	537.750	3.719	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccc3c(c2)OCCO3)cc1	100330026	XKZYZKSMHWNESG-FREGXXQWSA-N	632.121	3.900	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101107346	QIYIWFZEMHQLGM-PCCBWWKXSA-N	594.317	3.895	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408725835	KYZBSMYPSXSCDG-FQKMCRJQSA-N	541.629	3.935	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408759291	BLXNZOFRLFLCAM-VGOFMYFVSA-N	582.201	3.747	10	40	KHCB	
Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)cc1	408848296	SYDBIFDSHODHBT-WSDLNYQXSA-N	522.517	3.984	10	40	KHCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(I)c3)C2=O)c1	408904418	JDQCFTXKBCEMQZ-MHWRWJLKSA-N	506.296	3.755	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408927240	OXPZCMOLOYNHMK-SJJVXOANSA-N	535.666	3.660	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)OC(C)C)cc2)C(=O)NC1=S	409186588	FDYWNVPBWSDRSW-WOJGMQOQSA-N	517.401	3.919	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409192490	DGSMHXNPGGFMFY-YBFXNURJSA-N	520.523	3.540	10	40	KHCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1Br	409275294	TXQLDXVILDCOOT-LSCVHKIXSA-N	504.362	3.919	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3C)CC2)cc1	409384028	WRXNWIHIYYKFSI-UHFFFAOYSA-N	509.628	3.840	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1cccc2ccccc12	408735218	MHSTVIDPKLAEFT-UHFFFAOYSA-N	544.370	3.946	10	40	KHCB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)cc1	409062078	NBDLREUHBUCFLH-FCYPAOMHSA-N	549.718	3.745	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC	409101090	PNPFLFSZCFKYOX-HPFVHPJRSA-N	575.691	3.621	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409223881	HCRLRNTZVGUOJW-HYARGMPZSA-N	515.522	3.783	10	40	KHCB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1	13646869	NZLMKBQXKPETGO-UHFFFAOYSA-N	507.612	3.570	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccc(C)cc2)cc1	16691909	MEGRMAVIOYZNQL-UHFFFAOYSA-N	523.655	3.946	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc4[nH]c(O)nc4cc3Br)C2=O)c(C)cc1Br	408528979	GOUNKHCSSRYOSF-JXMROGBWSA-N	549.179	3.989	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)C2=O)c1	408537349	VKFJSHHKZQADQN-RGVLZGJSSA-N	562.531	3.615	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C(=O)NC2=S)c(OC)c1	409094286	DGPFPRVAONCEED-YBFXNURJSA-N	536.566	3.859	10	40	KHCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cc4c(cc3Cl)C(=O)c3ccccc3C4=O)nnc2n1	103079480	IRKWLABJZOGMAO-UHFFFAOYSA-N	537.005	3.543	10	40	KHCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408907342	MGAHYYXOYVRXLA-HZHRSRAPSA-N	505.571	3.848	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1C	409247399	BZIGXEJDHGLWRE-QRVIBDJDSA-N	514.494	3.896	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35828100	QPDKHCINUNUSBH-NGXZDTIWSA-N	508.600	3.514	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100146469	XIGLDBCHPWVDID-JLYDKEMFSA-N	521.525	3.899	10	40	KHCB	aggregator
COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O	408528207	HCWWJTVFISRQIT-NBVRZTHBSA-N	591.484	3.828	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408536189	QFJBBSYPEANNFB-LDADJPATSA-N	562.531	3.615	10	40	KHCB	
CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(I)cc2)c1	409067515	YOQPHEUOJQEECJ-UHFFFAOYSA-N	535.407	3.631	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409260098	KQDIZJNGRNQMFR-JCMHNJIXSA-N	557.559	3.864	10	40	KHCB	
CN(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1	526052291	ROSIUWIQFBQUAQ-HXUWFJFHSA-N	581.510	3.770	10	40	KHCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)NC1=S	658450	JGJCEANUFUENEP-OQLLNIDSSA-N	557.207	3.889	10	40	KHCB	
CCOc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OCC(=O)N1CCOCC1	12538900	IHGACPZURYAOMT-UHFFFAOYSA-N	520.582	3.770	10	40	KHCB	
Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	13670682	NASHINMYGWMZPQ-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	100763786	XKALFFQRPQJUMA-JAIQZWGSSA-N	524.624	3.581	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	101377501	DCSBLAGHKAPPCV-OVVQPSECSA-N	621.716	3.767	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	100774545	URYMNZANUFGKKY-XLNRJJMWSA-N	535.695	3.539	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)O	409384226	BHZUDXRBLPPPGQ-CXUHLZMHSA-N	580.400	3.547	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C(=O)O)c1OC	1907897	BNFVCWSHFGSWKJ-ATVHPVEESA-N	511.581	3.606	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccccc1Cl	100188042	UUISMJQNHSIJMF-UHFFFAOYSA-N	542.782	3.837	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)C)cc1	101394595	LUDMSQQNSLFYAR-MPZQNCSBSA-N	526.596	3.659	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O	169619581	CCVKOSDKZQOJNB-NJDAHSKKSA-N	502.866	3.943	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	409065074	HDYFEEHRTGIDNZ-KGENOOAVSA-N	524.526	3.967	10	40	KHCB	
CCOC(=O)[C@@H](C(=O)C(=O)Nc1cccc(Cl)c1)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	104436860	DBFJSFCMUNLLAG-HXUWFJFHSA-N	543.919	3.619	10	40	KHCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O	409219684	TWHXZMMMRDZDGI-UHFFFAOYSA-N	550.365	3.905	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	2049425	NPRGGSHQANOTBO-QTTRZTASSA-N	565.692	3.757	10	40	KHCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	9108785	DOADDGNUYBPDDI-RCCKNPSSSA-N	505.596	3.698	10	40	KHCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1	12428661	VBZLRYPMWMXQDW-BOPFTXTBSA-N	500.248	3.711	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl	97964488	UUVXRJPRKSWBDN-JCMDWAABSA-N	532.987	3.579	10	40	KHCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc21	408760763	FPQZQIJXQXCMNS-WOJGMQOQSA-N	510.344	3.942	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)OC	408773677	WJBMOZGWIUKTIR-OVCLIPMQSA-N	584.750	3.562	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Cc1ccccc1Br	408870009	UXWGYJNHBCOUGI-UHFFFAOYSA-N	571.234	3.958	10	40	KHCB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	409406812	CVIXFMYRJXWIOG-RPAITNTNSA-N	500.423	3.583	10	40	KHCB	
COc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1	108449187	RUZMTQRBARHHEU-CQSZACIVSA-N	529.457	3.574	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408922178	NVVUKEHMYCTMQL-SJJVXOANSA-N	514.651	3.664	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC	409166307	DGBKYXZZHISLKY-LCYFTJDESA-N	538.363	3.538	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OCC	409218258	DVURALZWKXNUAB-LICLKQGHSA-N	590.427	3.566	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1Cl	409247707	ATXZUTJDFWPSJW-UHFFFAOYSA-N	571.609	3.940	10	40	KHCB	
O=C(COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccccc1Cl	409254646	XYNYWWSHCHQTIO-UHFFFAOYSA-N	557.582	3.632	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	3668198	PTWGWWCLDWDZRY-LJJBLSSYSA-N	586.508	3.644	10	40	KHCB	
C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)N1CCOCC1	408591543	IREYPURXRHSNTA-SFHVURJKSA-N	529.014	3.998	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1Cl	408881028	LGRSYNKNSXOMOD-UHFFFAOYSA-N	510.715	3.684	10	40	KHCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	409013272	UDIKNIJSSOQOTB-UDWIEESQSA-N	550.395	3.550	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409044488	VJCTYBYBXJIPRO-UDWIEESQSA-N	608.401	3.928	10	40	KHCB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1	906313	CYAWWTDLWUOUDR-AKGWNBJDSA-N	596.688	3.540	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	100860333	OLAFOUKPRBFKGJ-CPOKCXMASA-N	565.696	3.849	10	40	KHCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	103596448	DIMBBPLXLIAAAP-YBSSFRMFSA-N	525.034	3.924	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC	408812718	XEABUUJPPNFMPT-MHWRWJLKSA-N	536.322	3.851	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	13626322	LQJBRCPEMVKYGQ-XYHYBEPMSA-N	509.609	3.581	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3nnn(-c4ccccc4)c3CSc3nc(C)cc(C)n3)CC2)cc1	35590694	ZJWKVNXJNAJUCC-UHFFFAOYSA-N	515.643	3.937	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	100870529	NFOSHKZCDZCCCM-NKFKGCMQSA-N	549.722	3.957	10	40	KHCB	
Cc1cc(S(N)(=O)=O)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	408527172	FGSBVHYJDKBKFV-HZHRSRAPSA-N	534.638	3.689	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OC)C2=O)cc1	409047066	MNAJTGYADCIYAR-RIYZIHGNSA-N	510.138	3.895	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	409059055	OPJKDWUZWFTYRU-QXHVWWCLSA-N	505.615	3.928	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1OCC	409192563	DZXLMOGLCBYFIM-RQZCQDPDSA-N	546.960	3.662	10	40	KHCB	
CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	103845063	KAFUWTIHITZGBV-QNKXHIPISA-N	564.332	3.872	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408530900	GAEMSUSLXCLBSL-HBZLNJRESA-N	564.591	3.981	10	40	KHCB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408683310	HTNWACBJSWCOLQ-SDHSZQHLSA-N	532.593	3.544	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409056870	OVZVUMGHFYIREH-XKGHIZKOSA-N	530.694	3.773	10	40	KHCB	
CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)n(CC)c2=O)Sc2ccc(OC)cc21	100505343	BXWMTMQINHDXIE-AIMKKSDKSA-N	527.071	3.863	10	40	KHCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)c1	408785066	FRWOSAVMDLHHNZ-YZSQISJMSA-N	514.582	3.996	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	408978678	AKDFZYURTCLONJ-WQNUKSJVSA-N	571.655	3.943	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408978692	ANDNNORJMVAGNN-RBMXVJLZSA-N	585.638	3.663	10	40	KHCB	
COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	409399498	JFGHCLIFTVADOH-KSSSLANASA-N	524.165	3.613	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C	9260566	PRYFITQAEUHCLJ-CIAFOILYSA-N	503.515	3.851	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1	12480899	WXMNOLHALBOSGP-SKCUWOTOSA-N	530.604	3.706	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O	103851428	VJWCKCWMYVYOCP-RMKNXTFCSA-N	530.169	3.896	10	40	KHCB	
CCOc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccnc2)[C@]12SC(=S)N(Cc1ccco1)C2=O	105822865	KYHUTAUWXBXOGM-SACAOSOOSA-N	534.663	3.774	10	40	KHCB	
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108449744	LCJNRCXYACMTTD-HNNXBMFYSA-N	582.514	3.626	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408928067	VNMVKUVSDUKNAV-QKSFETHESA-N	505.640	3.652	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1	409068899	ULCFREHSVGGQTM-XDHOZWIPSA-N	527.898	3.682	10	40	KHCB	
NC(=O)COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409224563	MLDQFBMVSVUTSO-UHFFFAOYSA-N	520.339	3.897	10	40	KHCB	
COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC4=O)CC2)cc1	10156592	YZWVHRKKJKVGRB-GOSISDBHSA-N	504.587	3.750	10	40	KHCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(Br)cc1OCC(=O)O	59136146	XOBOGYUPXGHPIE-IZZDOVSWSA-N	509.309	3.732	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408883578	UAQRMOQEEJTRAY-DEDYPNTBSA-N	554.964	3.869	10	40	KHCB	
COC(=O)[C@H]1CC[C@H](CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1	1565524181	FAZZWQLUKPEFCV-JVAKCPTJSA-N	514.626	3.884	10	40	KHCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	8872578	VHWGMNQNCFDYDR-NMWGTECJSA-N	577.732	3.863	10	40	KHCB	
COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n(CCc5ccccc5)c(=O)c5ccccc5n34)CC2)cc1	97986808	DHYZJKSYRYYNIF-UHFFFAOYSA-N	593.732	3.557	10	40	KHCB	
CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	100352926	GLKRNISHGLPLFR-GDLZYMKVSA-N	570.650	3.686	10	40	KHCB	
Cc1ccc(O)c(CN2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c1	257218969	DFBAFBBPUWHETD-NDEPHWFRSA-N	517.066	3.994	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)cc1C	408851458	KBQNMXTWFONVHQ-MKMNVTDBSA-N	599.175	3.800	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N(c2ccccc2)C1=O	409010953	DYPHNFJOAMZFIR-ULJHMMPZSA-N	501.539	3.906	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O	409047338	OIAOGPBNTUICPN-HMAPJEAMSA-N	516.506	3.794	10	40	KHCB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	902693	WPCFILRHIGJAAG-GDLZYMKVSA-N	557.607	3.790	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19973342	GEVZWOACRPOSET-VWLOTQADSA-N	517.634	3.589	10	40	KHCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1OC	408852729	MYMXDDXCMCXJDE-CXUHLZMHSA-N	506.296	3.592	10	40	KHCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)CC2)cc1	409054035	QGQRWDGDAIXJLC-UHFFFAOYSA-N	512.459	3.752	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8691471	XIGLDBCHPWVDID-MJSVJUFHSA-N	521.525	3.899	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)CC2)cc1	20061137	MPFWREIQBZRKPG-UHFFFAOYSA-N	500.020	3.893	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br	408854379	DMAGHKQCNGCBIC-LICLKQGHSA-N	501.333	3.674	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC	408873901	WXDTVZBDYKDNEG-GDNBJRDFSA-N	522.364	3.920	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409072729	DCDSDMMACJBAPT-CIAFOILYSA-N	531.477	3.937	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	8858374	UIYXYOYDXLMMSG-MNDPQUGUSA-N	527.672	3.507	10	40	KHCB	
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	9323166	SNCZSUBUYVYJMZ-STZFKDTASA-N	503.486	3.827	10	40	KHCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)C3C[C@@H]4CCC[C@@H](C3)C4=O)c2C)c1	103137862	JCUVOWYZRKXUPH-ROUUACIJSA-N	509.555	3.789	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408534368	LQZNHFSTGMFQRO-CPNJWEJPSA-N	501.451	3.797	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408892427	BFMNJQPPMPEEPP-HZHRSRAPSA-N	564.572	3.614	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409052943	FMESAFCKRBRLDH-QTTRZTASSA-N	545.661	3.907	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N21	33356308	IDTYWMWCDJSVDN-JXFDPVBFSA-N	520.976	3.800	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2ccncc2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	101446933	YVZIMSNIGZLLKR-ZGOJTZKKSA-N	530.675	3.790	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(OC)c1	409089416	NMTCSVVNUYMHIL-NDENLUEZSA-N	506.540	3.851	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	409363043	JDDYPJXICJYOIH-GRSHGNNSSA-N	584.354	3.986	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3Cc3ccco3)CC2)cc1	1382518	NYKHQYXHARCRKX-MHZLTWQESA-N	525.613	3.693	10	40	KHCB	
O=C1/C(=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)SC(=S)N1c1ccc2c(c1)OCO2	8870042	VRAIHSFMPMPCAU-FOCLMDBBSA-N	502.576	3.785	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(Cl)ccc2OC)cc1OC	100083928	FDSRDXPQUXESRQ-UHFFFAOYSA-N	590.098	3.714	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1C	101396440	BZQMWVICLDTARX-MBYGRGGXSA-N	542.639	3.861	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	208363776	BIRNPCZYZHVTHI-ABBNRAPFSA-N	571.655	3.911	10	40	KHCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(O)c(Br)c2Br)C1=O	409251001	ZJGUMKKMZZBYPR-DHZHZOJOSA-N	540.164	3.991	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1I	409375864	QBURCUGQFBVOGR-GZTJUZNOSA-N	564.401	3.627	10	40	KHCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1	409398750	CLHFXFAHOMSXHP-SXGWCWSVSA-N	526.259	3.914	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1	8432707	KBUQEGPSUFOQKR-NDENLUEZSA-N	549.923	3.731	10	40	KHCB	
C[C@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1	225213341	ZFHXWKHHBVGQBF-FQEVSTJZSA-N	501.649	3.872	10	40	KHCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1C	409263832	OOIDVRBWQGZBGP-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100342191	IRJRUSAIXUQHKU-LJAQVGFWSA-N	535.652	3.986	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1O	103814587	HNOJMGWMPNRRRO-WUXMJOGZSA-N	557.138	3.743	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409098218	KLCZTXNINKMDNJ-RYOBIWAXSA-N	562.736	3.967	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2070405	JDIIUSBKJMCEOS-SJJVXOANSA-N	557.628	3.823	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCCc3nnc4n(Cc5ccccc5)c(=O)c5ccccc5n34)CC2)cc1	97986817	FCLOAEVNZBCMQP-UHFFFAOYSA-N	536.636	3.773	10	40	KHCB	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	100762864	XFUVDCNDHOQQBB-HQOKVJKCSA-N	536.635	3.724	10	40	KHCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)c1C	408781791	DSDFDVWKNMARDK-AWNIVKPZSA-N	646.175	3.642	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408927800	RIOJWAHGDPZLCR-RZXXJPOTSA-N	576.900	3.986	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1	408951127	LNNXURODNXSNLH-CIAFOILYSA-N	501.495	3.666	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409224966	MVODTFXEAUVVEN-RGVLZGJSSA-N	550.911	3.941	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCc4ccccc4C3)nc12	26842100	MNKGZVMURXKTHW-IDCRMVTHSA-N	518.664	3.946	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	100618563	ZFRPOQVOBHDWMQ-RWTNITNYSA-N	586.508	3.644	10	40	KHCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)cc(I)c1O	103851134	CRMPRKUUXXCMMX-POHAHGRESA-N	547.143	3.730	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC	409220752	FGYMVBVMFOKYLA-RIYZIHGNSA-N	522.364	3.757	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)C(=O)NC2=S)cc1	409015116	YRIDLNLEDJYDOG-KPKJPENVSA-N	542.205	3.766	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409075041	XAFGTESTQZKEET-YBFXNURJSA-N	557.924	3.691	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	2285404	JSRMECGTBAKOMJ-MKWGYRPRSA-N	535.666	3.662	10	40	KHCB	
COCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O	9427612	IHNWAGFJXLWAIS-SILNSSARSA-N	510.641	3.595	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1	97964764	LZYHBGLSYGCFBT-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408890475	UIWOMJRYSGSUSG-KGENOOAVSA-N	522.535	3.533	10	40	KHCB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2Br)cc1	408921864	CRESLXLJZJGYHE-SXGWCWSVSA-N	513.416	3.664	10	40	KHCB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1I	408955946	VIJYHXCADAKMHS-LFYBBSHMSA-N	632.148	3.690	10	40	KHCB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	409040620	HEDWBHCFTBLOOQ-RIYZIHGNSA-N	510.138	3.982	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c(C)c1	409255859	JDHCGVNWJUBFKT-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1Cc1ccccc1	4016519	CBQSOYWEXSKJLQ-FDMCKTFZSA-N	582.707	3.773	10	40	KHCB	
CN1CCCc2cc(CN3CCC4(CCCCNC(=O)c5ccccc5OCCNC4=O)CC3)ccc21	643566588	TVOANSJDYMHKRI-UHFFFAOYSA-N	504.675	3.760	10	40	KHCB	
CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777597	MQAOYXFACDELMN-ITYLOYPMSA-N	562.692	3.582	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	105973423	QISHERPDNUYSOB-LNYUQPRGSA-N	519.648	3.988	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1	408811961	OUXCNJVIOMGEAG-LICLKQGHSA-N	578.359	3.930	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59249002	KYBNYJQILXRZMT-KEBDBYFISA-N	507.886	3.810	10	40	KHCB	
CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1	71386322	JDBIMDSOVANQGK-UHFFFAOYSA-N	550.530	3.986	10	40	KHCB	
Cc1nn(-c2cccc(S(=O)(=O)O)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12	100048466	VGKHKXLKQJVMER-QURGRASLSA-N	504.502	3.654	10	40	KHCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	102596237	RFNFKFPCOYYTFA-GTVARFKMSA-N	511.332	3.611	10	40	KHCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147628	VCFKCSDPGMHYEK-FTJBHMTQSA-N	519.671	3.800	10	40	KHCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O	408536645	SILTWCWKJYGGLX-AQTBWJFISA-N	532.505	3.607	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408832492	XCCQFQPSOQVTHY-UPWSPCOFSA-N	601.681	3.921	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409039310	CKYMPARGUGVUCI-BKUYFWCQSA-N	530.493	3.596	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1OCC	409222388	COPWJGLLCMHPCY-OVCLIPMQSA-N	536.368	3.711	10	40	KHCB	
CCOc1cc(N2CCOCC2)ccc1CN1CCC2(CCCCNC(=O)c3ccccc3OCCNC2=O)CC1	643566025	NYRFCPDJWSGUBM-UHFFFAOYSA-N	564.727	3.613	10	40	KHCB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777984	UJMPXOGECPZMJP-KYNLIILASA-N	576.719	3.969	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	100137158	ANPIRLSNUCJZKX-MLPAPPSSSA-N	538.148	3.650	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCCOc1ccccc1	101394324	SWDOSNOLIBCTQN-LXEXHQCYSA-N	549.030	3.818	10	40	KHCB	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1ccccc1	100500028	DBOFWPDEZCMWJE-FLPXOHCLSA-N	541.614	3.688	10	40	KHCB	
C[C@@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)O	409399076	FRLWMJWVQVKVCA-QVASGMJFSA-N	510.138	3.525	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1	8995404	AJCSEIYKIPTUJH-CUBQBAPOSA-N	530.604	3.706	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1C	9293450	SFNCSUPUFJDJPQ-STVRALQESA-N	504.616	3.579	10	40	KHCB	
Cc1cccc(C)c1OCCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1	41077784	NNIMJPBQMIVYFY-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	97964722	SLROKQCSFUGSBD-UIBINATQSA-N	537.623	3.740	10	40	KHCB	
COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1	101396787	VZINFLUPDXHMOQ-BTSLSPDOSA-N	542.639	3.943	10	40	KHCB	
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O	108448796	VQYPTQQCROYUDX-AWEZNQCLSA-N	550.472	3.666	10	40	KHCB	biogenic
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(I)c1	408962028	FSDZISMVUYRELF-RMKNXTFCSA-N	503.079	3.970	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408844614	VROGSCYLYWNCMG-FUFNRSNVSA-N	631.707	3.930	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1OCC	408932698	DOXPSGUGAXIFBW-XKKBFUJGSA-N	586.508	3.644	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409084700	XUXWMHCDWGNFBY-IYVASWNSSA-N	687.569	3.713	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(C)cc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	97947425	KWXBEACHVFUCDB-FYYJVHHASA-N	544.720	3.811	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC	408985093	VDBOATMEXXEZQZ-WQRHYEAKSA-N	500.935	3.909	10	40	KHCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	408993868	XOYKDZVZJAWHMM-QGOAFFKASA-N	529.563	3.553	10	40	KHCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	1011310	ONURFGGOQOWBJE-HKWRFOASSA-N	508.625	3.723	10	40	KHCB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n21	409015293	OMZCYRYOGXHHQB-IAOUMNOZSA-N	609.745	3.687	10	40	KHCB	
CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)cc1	101394493	LPSCNLJPBHUVKT-OQZKWKKUSA-N	542.639	3.727	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC	408777311	YEKAPGKFSVXQKT-CXUHLZMHSA-N	520.323	3.982	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1C	409263976	DFZPXBGGDJADCZ-QRVIBDJDSA-N	514.494	3.896	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6077452	BTQPTQZGTGJIMQ-FQEVSTJZSA-N	528.704	3.640	10	40	KHCB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)c1	32665874	SQLAXWGDDLVCDV-ABBNRAPFSA-N	524.646	3.949	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccccn1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106015514	MJWMREKMZDUMNW-AYCKEJKLSA-N	508.600	3.514	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c(O)c1	408946078	OULOAXBXOHKWAI-IZBTWGKQSA-N	542.057	3.622	10	40	KHCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)CC2)cc1	26120137	HURODMFNMUBHJD-UHFFFAOYSA-N	503.690	3.944	10	40	KHCB	
O=C1/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	102993425	HVIQVOGONICIEH-SWEABUAFSA-N	534.040	3.529	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	408800327	MBENWGYWFIGBAI-MHWRWJLKSA-N	536.322	3.764	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1	408805739	LDRJVCYWZJLMCN-MHWRWJLKSA-N	517.332	3.700	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	2049428	NPRGGSHQANOTBO-BIWBSIMWSA-N	565.692	3.757	10	40	KHCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1	9161317	BKFHVUFFUUCWEK-STVRALQESA-N	504.616	3.579	10	40	KHCB	
CCOc1ccc(NC(=O)[C@H](/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)C(C)=O)cc1	104123805	GKDRWALHGQSUBZ-WWDJGNSZSA-N	502.578	3.726	10	40	KHCB	
COC(=O)COc1c(OC)cccc1[C@H](CC(=O)OC)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448958	NCHWNCGQAPXBTK-KRWDZBQOSA-N	550.516	3.832	10	40	KHCB	biogenic
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223207280	LWMIOUMVVBFELA-SXOMAYOGSA-N	533.698	3.971	10	40	KHCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	409086688	RMTOMELMUHFSIB-WOJGMQOQSA-N	586.429	3.872	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1	409372480	ZIYSJWBJKHXBDO-LTGZKZEYSA-N	515.522	3.778	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)OC	409382968	SIQKBCABZHCPLH-LICLKQGHSA-N	502.976	3.684	10	40	KHCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409385746	JYCBOMGSTKQDGO-OQLLNIDSSA-N	599.290	3.825	10	40	KHCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C	3296886	ZIQYVKAPHFDBGE-GOSISDBHSA-N	513.978	3.879	10	40	KHCB	
O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	97946678	KNNFZTFAXPYTRS-JWGURIENSA-N	568.702	4.000	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(C)cc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	97947426	KWXBEACHVFUCDB-XUVWKZFSSA-N	544.720	3.811	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccccc4OC)cc3)C(=O)N=C2S1	97964774	ZLGIOVRHNZAEFG-NMAWJPFASA-N	528.612	3.554	10	40	KHCB	
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)n3ccccc3nc2=O)c2ccccc12	230465254	ULPSGKSLVJBZFF-QFIPXVFZSA-N	525.561	3.854	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc3[nH]c(O)nc3cc2Br)C1=O	408533634	OQILHYYXZRQKBW-DHZHZOJOSA-N	549.179	3.935	10	40	KHCB	
Cc1cc(N2CCOCC2)ccc1CN1CCC2(CCCCNC(=O)c3ccccc3OCCNC2=O)CC1	643566784	WIAZEIZGCSSAHR-UHFFFAOYSA-N	534.701	3.523	10	40	KHCB	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@H]3O[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@@H](C)O1	150395335	OHPWLWOBYWTAPY-UDMKVORHSA-N	725.791	3.537	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408537558	WFZZJPOTJSCZSN-HHNKFYTBSA-N	550.564	3.591	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409409173	TYEDZZYPRRVITR-UNOMPAQXSA-N	569.355	3.779	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	1450033	SPLWJJDQBUUVRK-PGMHBOJBSA-N	505.669	3.939	10	40	KHCB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1	13511272	VEQRMNHBAWMHTL-KMDXXIMOSA-N	509.514	3.867	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2C)cc1	15553935	DYCOUOAQFVOBFN-AWNIVKPZSA-N	508.600	3.857	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc(OC)c(OC)c(OC)c3)c3sc4nc(C)nn4c3O)CC2)cc1	23158045	WZXDGHSTUWRZRO-QFIPXVFZSA-N	525.631	3.751	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1	223187011	RQRBUBWOPMMPOE-FTJBHMTQSA-N	519.671	3.882	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1	408797539	GMUGOMSTPHYCRC-MHWRWJLKSA-N	517.332	3.700	10	40	KHCB	
CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21	6074556	UIJLXTRHCSGIOY-SSEXGKCCSA-N	584.677	3.681	10	40	KHCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NN1CCN(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)CC1	100929726	HCYVBPTURYUOEP-MPKYGIEOSA-N	553.454	3.533	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408534022	KUENQQYYSKNXAR-LDADJPATSA-N	530.489	3.708	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)cc1C	408784080	SIFDNUFCQHFAQE-MKMNVTDBSA-N	662.243	3.807	10	40	KHCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1	409398499	BKLLQYIJCNXWDD-NVNXTCNLSA-N	526.259	3.914	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1	8860035	GJEFJZCJXTVXOC-QNGOZBTKSA-N	505.669	3.939	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940382	CDAJFEWPIVOSIO-AREMUKBSSA-N	515.618	3.559	10	40	KHCB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	19941368	CJQFKVIQMMNLLZ-RUZDIDTESA-N	501.635	3.888	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	100769929	UKCSRDWPZBSJEN-QYJRXKHCSA-N	561.733	3.705	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCCCN3CCOCC3)nc12	100774571	QGJCKBKZAAKDDW-NMWGTECJSA-N	549.722	3.581	10	40	KHCB	
CC1(C)CC(=O)[C@H](CC2C(=O)c3ccccc3C2=O)C(=O)[C@@H]1C(=O)C(=O)Nc1cccc2ccc(O)cc12	102967954	KBLDJIBQZZQFFC-GBXCKJPGSA-N	511.530	3.939	10	40	KHCB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3ccccc3Cl)CC2)c(O)c(OC)c1	103538127	WFFQDNZLNVKWOD-UHFFFAOYSA-N	556.059	3.957	10	40	KHCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cccc(I)c1	408552693	USXXADKISXCTTA-WQLSENKSSA-N	501.708	3.827	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1	9183591	WQJZQQDXYPTPPK-JCMHNJIXSA-N	515.522	3.908	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	19826119	WONVXVYVYVBYRG-NDEPHWFRSA-N	521.625	3.792	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408927235	OXPZCMOLOYNHMK-GTWFGUSFSA-N	535.666	3.660	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3OC)c2=O)=N1	409046838	RWWGDOHBEXNVIS-ZDQFFALBSA-N	505.640	3.653	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S	8857999	YJDBGUKYCKONLL-FXBPSFAMSA-N	521.668	3.641	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=N)N21	20207133	BPHKCBQHIUGNJA-QNPDVEALSA-N	502.599	3.615	10	40	KHCB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)nn1	101001305	TUVFAWAUCSSPBW-CYVLTUHYSA-N	555.663	3.516	10	40	KHCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccc(S(N)(=O)=O)cc2)cc1	103921751	NJPULHNLMSEMAV-KQWNVCNZSA-N	533.635	3.767	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc1cccc(OC)c1	408970817	KSGDPQGHDFVQNN-UHFFFAOYSA-N	533.375	3.748	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1	409097407	IICZZJAFHWXOOR-RGVLZGJSSA-N	506.540	3.851	10	40	KHCB	
CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6076911	UQSHFCUQXRHBNM-JOCHJYFZSA-N	526.638	3.580	10	40	KHCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1C	20205685	NOSBTNOZTJVWQM-SMTYPRMSSA-N	521.624	3.958	10	40	KHCB	
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971855	KXOLQGBVBOQHTJ-KRWDZBQOSA-N	571.538	3.944	10	40	KHCB	biogenic
CCN(CC)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1	100336535	FNVGVPGGOREEIZ-VIZCGCQYSA-N	555.683	3.738	10	40	KHCB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1Br	408689213	ROEXXKPAOWWQPX-SJBKTWHCSA-N	525.399	3.802	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409055897	BQIPGBZVEUHVBO-ABBNRAPFSA-N	547.677	3.806	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	59247948	BQNAWTVWQZHCJY-CIAFOILYSA-N	503.536	3.630	10	40	KHCB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	101396472	OYGLMBPQKFZHDL-GDJNFKMVSA-N	528.612	3.553	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408916673	FXZNXSOBTYZNTK-OVCLIPMQSA-N	520.361	3.592	10	40	KHCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1cccc(Br)c1	409124997	ILYVVURBKYJGDE-YBFXNURJSA-N	504.406	3.752	10	40	KHCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1	409191246	FGTZTVSPBCBWQE-LDADJPATSA-N	543.342	3.611	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409225321	MUVZSVCVDQRPBR-UDWIEESQSA-N	550.911	3.941	10	40	KHCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Br)cc1	97964498	CKFPXGHYSAEQLD-WMYZHHRISA-N	547.412	3.598	10	40	KHCB	
O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Nc1ccc([N+](=O)[O-])cc1Br	103114057	UNNNCGMXPWLGPH-UHFFFAOYSA-N	554.265	3.836	10	40	KHCB	
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108449742	LCJNRCXYACMTTD-OAHLLOKOSA-N	582.514	3.626	10	40	KHCB	biogenic
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408537658	WNSVUMRCOTUAPS-FYJGNVAPSA-N	531.477	3.888	10	40	KHCB	
O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1	409052773	AJGVDMAOJUDZTD-DEDYPNTBSA-N	536.338	3.839	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	6135944	SGCFROTZVRIFFL-HSZRJFAPSA-N	538.649	3.866	10	40	KHCB	
C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1)c1ccccc1	9191660	MHHAHZKCXLXQBH-AYLXWRMSSA-N	503.584	3.695	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	13591705	PXQRJQIMERHEPB-OWAUWMPXSA-N	508.600	3.514	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)O)cc1	103842806	IPRLQNGTCDVQGL-RGVLZGJSSA-N	530.489	3.758	10	40	KHCB	
COC(=O)COc1cc([C@@H](CC(=O)OC)c2c(O)c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)ccc1OC	108449427	KJASBHVGXHWVMA-QGZVFWFLSA-N	550.516	3.832	10	40	KHCB	biogenic
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	112234418	XFPCEUYRHGEXPS-BKUYFWCQSA-N	527.950	3.948	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)c(Br)c3)c2=O)=N1	409030000	BKCGDQWTLHEQJO-PZHBDVNGSA-N	526.456	3.627	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409044655	WMVOKWUBXACMQJ-UDWIEESQSA-N	655.401	3.770	10	40	KHCB	
Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1	887716	VAYROCTTYMDJLV-LBNVMWSVSA-N	557.655	3.686	10	40	KHCB	
CCCCN1C(=O)/C(=C/c2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	8857878	WJXILHHUTXUUAV-CYVLTUHYSA-N	514.673	3.784	10	40	KHCB	
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	97947263	VUNDJEDKISLROL-XBPUZACXSA-N	558.641	3.970	10	40	KHCB	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	100972318	AEAKGFLVKHMFOZ-KGTJKXQDSA-N	519.526	3.673	10	40	KHCB	
O=C1NC(=S)S/C1=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1	408766213	PSFCMWUAMAAIRM-AUWJEWJLSA-N	501.361	3.614	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	409071250	IWBZFJHHPXWMJM-XDHOZWIPSA-N	527.898	3.682	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409275927	NANFZMBAELAQAS-CVMWMZFYSA-N	534.682	3.694	10	40	KHCB	
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1	2168722	WPZWOTQKHNWHIM-PDGQHHTCSA-N	519.457	3.729	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1	101052701	QWQBVFBPDFLFNK-NMBITUCBSA-N	533.610	3.785	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1	408978953	BBWNMJQEJCLPQI-KMBIYUNPSA-N	559.644	3.894	10	40	KHCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409087263	YAJMBKVQBLZYDR-GZTJUZNOSA-N	525.402	3.722	10	40	KHCB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc3c(c1O)C[C@H](O)[C@H](c1ccc(O)c(O)c1)O3)O[C@H]2c1ccc(O)cc1	1772591275	QGJBBIADDAZUFQ-NDQPLNCQSA-N	558.495	3.562	10	40	KHCB	
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O	1804933	FDHJNUYJOBIUJB-SOZCONBTSA-N	540.022	3.846	10	40	KHCB	
CC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1/N=N/c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1	100048732	ASDREVVGQFYRTH-QVIHXGFCSA-N	593.003	3.871	10	40	KHCB	in-vitro
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1	100336459	NDSJHYQFSQEMPB-OUTSHDOLSA-N	544.631	3.702	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	104304067	QPFAOPKIJWFESN-OISIGJEPSA-N	508.537	3.646	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)c1	408846615	QOAZOCXCSQUWAM-VGOFMYFVSA-N	659.227	3.981	10	40	KHCB	
CCCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC	408878435	ASDIUMAIYJUMLD-GDNBJRDFSA-N	522.364	3.920	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1	409057015	OJUJTCFLBMTUTP-HMAPJEAMSA-N	515.522	3.696	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1O	409129289	RNPYXIIUIBBUFD-RIYZIHGNSA-N	522.364	3.844	10	40	KHCB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC	409378494	QEDLEYXXCHWEAZ-WQRHYEAKSA-N	551.939	3.747	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6135845	FHMDEDNVORXPPI-QFIPXVFZSA-N	540.715	3.784	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3CCc3ccccc3)CC2)cc1	100354843	KAOTWPLJRAILNT-LJAQVGFWSA-N	551.651	3.686	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409357623	JOIZCIRNVSQZLS-XXMKCSCWSA-N	534.638	3.861	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	1215131	IWEMMRCBEZZIPO-YBEGLDIGSA-N	507.724	3.711	10	40	KHCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	8819122	UMRWLGKUDUEYLD-ZHZULCJRSA-N	508.625	3.723	10	40	KHCB	
C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C[C@@H](C)O1	97947405	YFUVGIFMSIQAEH-MGPOACGJSA-N	551.694	3.869	10	40	KHCB	
COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)cc1	97964825	HUCZLMYMDOOFFF-OQZKWKKUSA-N	542.639	3.800	10	40	KHCB	
COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	101114086	WQVGGGRFPAYRJJ-RGEXLXHISA-N	526.958	3.728	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408805883	LZWQJQFMOLPDLW-FYJGNVAPSA-N	531.477	3.635	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1	409387761	QJNOHQUIFDDRIR-MTJSOVHGSA-N	593.976	3.828	10	40	KHCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)c1	9303329	ZGHPGIJLVJTTFA-MBYGRGGXSA-N	505.556	3.755	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1	20205798	QNJXLESJKXUQPF-UYAJQHSGSA-N	504.977	3.549	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1	409254987	YTHIZNUOSXZOFD-JCMHNJIXSA-N	527.533	3.774	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)C2=O)cc1	409267294	UMTGGEDYQNIQSM-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1OC	101017367	QGWHAEVMIBRNJA-VVJWVBNBSA-N	539.635	3.589	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497151	JGQRGFBBFTXLFO-SUAMDDGLSA-N	565.692	3.670	10	40	KHCB	
COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108449900	DBOOAVZEXFQNDE-CQSZACIVSA-N	532.457	3.789	10	40	KHCB	biogenic
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409362126	FVIPNBSLJSYDBZ-JAIQZWGSSA-N	673.391	3.909	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	100193090	AZXRSJQBCGGXNT-NTUHNPAUSA-N	587.155	3.912	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223640762	RJBPNAXEEVBXHR-KAYWLYCHSA-N	519.671	3.861	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CN(C)S(=O)(=O)c4ccc(C)cc4)c3)CC2)cc1	224783938	MPZSQJJKOKYOGJ-UHFFFAOYSA-N	523.655	3.795	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)CC2)cc1	408526385	BBMUJJGJOOKOLD-UHFFFAOYSA-N	521.639	3.564	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1	13585192	PIXXHPHDXUCEKU-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2nnc(-c3ccc(OC)cc3)s2)C1=O	408528970	GMZKIHYVRXSPQF-LFIBNONCSA-N	528.388	4.117	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408532531	IICKSRZIUGLTCC-WOJGMQOQSA-N	500.463	3.618	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(N)=O	409223791	HWNZGOAPOHEHSK-LFYBBSHMSA-N	604.184	3.527	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1	409369889	HCXXNAKUXRQJJM-HMMYKYKNSA-N	503.486	3.908	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C1=O	59249302	CLSNBTWYLFOJTL-FYJGNVAPSA-N	501.495	3.719	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101482371	SWCYMEANQQCZJY-BHDDXSALSA-N	532.892	3.952	10	40	KHCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@@H]2C(=O)O)SC1=S	256055824	VMAQVZSRVMHAFK-XMCGGYMHSA-N	527.599	3.565	10	40	KHCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	13940994	SNCZSUBUYVYJMZ-KGENOOAVSA-N	503.486	3.827	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408945830	XMZNUHBEKXDFLB-YBFXNURJSA-N	571.951	3.999	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409045063	XZYCQFNGCKXQHT-YBFXNURJSA-N	521.913	3.738	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6077423	FTZCASYCYSJBJT-JOCHJYFZSA-N	538.674	3.592	10	40	KHCB	
O=C(O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)SC2=S)c1	8870049	WKRYWFALYPVYAW-BUHFOSPRSA-N	502.576	3.724	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	13914080	PTLFCOUVJWWLFM-MFOYZWKCSA-N	517.332	3.904	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1Cl	20205783	ROFLCGGVYRLQNZ-WTZVULCFSA-N	519.004	3.939	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	103857240	RXELIMXQKONZGZ-UHFFFAOYSA-N	534.388	3.934	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1	409370480	RORBMCMTEJFFIZ-PDGQHHTCSA-N	551.914	3.950	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O	409383001	QHOCQMAXDFUAHY-OQLLNIDSSA-N	522.364	3.789	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	20083376	AXCZSGGTYLHURQ-VWLOTQADSA-N	501.635	3.807	10	40	KHCB	
O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1	102619565	XFPHBSLNSAYIQN-ZHZULCJRSA-N	530.366	3.852	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408537843	XPVPNTKNOUCPSA-ZXZGSJCMSA-N	504.539	3.964	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(F)(F)F	408678106	BIGBCHXZXFOQBI-OPYAIIAOSA-N	500.473	3.750	10	40	KHCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778080	PBHMWTVVZYVFQG-ITYLOYPMSA-N	562.692	3.582	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1I	97960520	MNGUUELOWYPLRC-SDQBBNPISA-N	618.121	3.866	10	40	KHCB	
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	97964828	NUJBGMOAFDERDE-RFNDTBEZSA-N	526.596	3.562	10	40	KHCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C(=O)NC1=S	409172734	HQAURMLNBXXJOT-NTEUORMPSA-N	552.390	3.927	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OCC)c3)C2=O)cc1OC	409125128	JDMAVWKPJJRMRB-RQZCQDPDSA-N	546.960	3.662	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccc(C)cc1	101396849	JTMAIHJCKWVZRK-MPZQNCSBSA-N	526.596	3.623	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC	408802646	ZUANWLRHDVMMDW-OVCLIPMQSA-N	551.293	3.663	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408828429	MNOGVJKZKQPDFM-IYVASWNSSA-N	585.638	3.633	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1	409217729	ASKIGLUKUYNVRL-GRSHGNNSSA-N	520.926	3.899	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	6135938	IXTNKWDUDGMMTP-HSZRJFAPSA-N	538.649	3.866	10	40	KHCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4[nH]c(O)nc4cc3Br)C2=O)c1C	408535034	SEDSTLYRLOZGNP-JXMROGBWSA-N	549.179	3.989	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408742402	WKAXANWTCAMPIO-FYJGNVAPSA-N	503.467	3.857	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)cc4C)N=C3C)cc2)nc(OC)n1	8575172	ZBGOMRBIQQCANZ-ZHZULCJRSA-N	522.587	3.630	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	97964759	MZYJPKPVMZLGRA-LXEXHQCYSA-N	549.030	3.818	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N21	101394712	HUJRJTBKUJJINI-PMOKRTJVSA-N	549.428	3.528	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C(=O)OC)(c2ccccc2)N[C@H]3c2ccc(N(C)C)cc2)cc1	245229787	FOPBPMHDNXUDOV-YRIIQKNPSA-N	513.594	3.670	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408765149	WTTRFPJDWRMJPZ-DHDCSXOGSA-N	547.417	3.865	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)O	409049487	XCHLNYBAMJAFAT-MKMNVTDBSA-N	537.750	3.939	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409089482	JFZTVVDENBAOEO-WOJGMQOQSA-N	519.382	3.870	10	40	KHCB	
Cc1c([C@@H]2C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@H]2C)c(O)c2c(c1O)=C(Cc1ccccc1)C(=O)C(=O)C=2	1560403750	OTPQYBGJCDPNKT-CBZJRKILSA-N	588.612	3.533	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18102901	SFAMNCNUVWXZQD-VJBWXMMDSA-N	513.477	3.698	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)O	103859406	FNPHMDWUOKUANK-VGOFMYFVSA-N	568.174	3.740	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	409073503	PUXQIURRYPJQLK-CPNJWEJPSA-N	572.349	3.791	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1F	409387237	ORYDAHOJABSSLF-BOPFTXTBSA-N	509.877	3.869	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H](C)CC)C2=O)CC1	1480707	SETRTPVYLIDGGF-BAACNHRGSA-N	514.673	3.782	10	40	KHCB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1	8817029	PQZFVSCONSOABX-PYCFMQQDSA-N	519.696	3.589	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	9323788	VJIQVQOVQWZACU-UHFFFAOYSA-N	518.320	3.769	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cccs1	408831407	VNQWMAFBVLAFGK-IGSWSUAKSA-N	547.658	3.966	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)O	409399055	FNSDIKRFKDTZRC-JYRVWZFOSA-N	540.164	3.535	10	40	KHCB	
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971978	IXLKJEVPRSMNAQ-AWEZNQCLSA-N	562.483	3.798	10	40	KHCB	biogenic
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	408784480	CMJCIHDEHNYUFZ-OVCLIPMQSA-N	584.750	3.562	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl)Nc1ccccc1	408854065	WURGAGRRQXXIEQ-VCHYOVAHSA-N	519.897	3.753	10	40	KHCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)cc(I)c1O	408854404	FDPQNSVEAVHDHT-UXBLZVDNSA-N	594.143	3.572	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1	6135970	GBWCONQHIUWMJA-QFQXNSOFSA-N	572.691	3.727	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)c2)C[C@@H](C)O1	102684878	BLXRCFOVPGNACL-IEGLGXCHSA-N	598.728	3.623	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OC	408806339	MREYZRKGHCCREE-OQLLNIDSSA-N	506.296	3.673	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409082586	JKQUQOBFMKEGIT-UHFFFAOYSA-N	593.277	3.933	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1	409252043	RLFKHKVARUMCEO-UHFFFAOYSA-N	536.766	3.577	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C(=O)NC2=S)c1	409385424	LOTQYJDFZLFLHP-YBFXNURJSA-N	522.535	3.795	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	19940587	GHXYUSIMEUROQG-NDEPHWFRSA-N	521.625	3.792	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223658633	MXRZCFVGNMSHCJ-BJKOFHAPSA-N	509.588	3.942	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	408740022	CNFGJIOMYDELJR-LFYBBSHMSA-N	541.177	3.960	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409057953	NDSDTXUNCHRHGM-CRCYZHLCSA-N	577.703	3.733	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)CC2)cc1	409390135	JORNKDWGWQVZSX-UHFFFAOYSA-N	516.019	3.877	10	40	KHCB	
O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	1474215	SLHMTPMAAJMFFP-MOSHPQCFSA-N	506.609	3.815	10	40	KHCB	
CCOC(=O)c1c(C(=O)OCC)c(C)n(/N=N\n2c(C)c(C(=O)OCC)c(C(=O)OCC)c2C)c1C	5495783	QSYZFBIYNBLDPE-QPLCGJKRSA-N	504.540	3.909	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=S)[nH]c5ccc(N6CCOCC6)cc5c4=O)cc3)CC2)cc1	17337601	WWJXIRHHDMTYSC-UHFFFAOYSA-N	571.703	3.915	10	40	KHCB	
N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103596568	KKBNLYVGOBFIII-OHMBLGONSA-N	512.595	3.558	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1	408815620	XKSURYDIBMUVTI-LPYMAVHISA-N	531.477	3.635	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	2376557	YPKMEJOQQXXYRM-PYCFMQQDSA-N	519.696	3.589	10	40	KHCB	
CC(=O)N/C(=C/c1ccc(Cc2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O	8653291	NJKTYQPOGPZXFS-OEAKJJBVSA-N	567.561	3.909	10	40	KHCB	
C[C@H]1CCCN(c2ccc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)C1	260843172	OMLPPGPBUCNXCD-FQEVSTJZSA-N	501.649	3.557	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408552471	ITCKFHQHQKRUCV-UHFFFAOYSA-N	543.157	3.531	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1	408990767	LXBAMADKGTVOAR-CPNJWEJPSA-N	527.522	3.697	10	40	KHCB	
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccccc1Cl	409263656	NLXUEEDBWQFMLJ-UNOMPAQXSA-N	520.885	3.932	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409373967	IYVOPTPDSJNYKQ-VCHYOVAHSA-N	509.902	3.621	10	40	KHCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCCNS(=O)(=O)c3cccc4nsnc34)c2C)cc1	3421916	FCYGTYMFOSYYAL-UHFFFAOYSA-N	526.640	3.892	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1	100336470	NDSJHYQFSQEMPB-GIGWZHCTSA-N	544.631	3.702	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6135974	RTLCTFACRUYZOZ-RUZDIDTESA-N	560.655	3.729	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(I)c3O)C2=O)cc1	100137069	MPBRAKLSGCJZBF-QPEQYQDCSA-N	527.112	3.734	10	40	KHCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	101005967	AIUCWKMBKUOUOG-PGMHBOJBSA-N	550.662	3.891	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408856481	IVSMXLFRUVFEMX-VIZOYTHASA-N	660.202	3.731	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408922176	NVVUKEHMYCTMQL-GTWFGUSFSA-N	514.651	3.664	10	40	KHCB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	409071139	DZUXFSBLWFIQJM-RIYZIHGNSA-N	521.389	3.705	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1	100303482	ITWLCIRXQCZEDQ-RQLGBQGVSA-N	556.482	3.635	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1	409073648	QXVYODNEQCPKIL-STZFKDTASA-N	540.937	3.561	10	40	KHCB	
COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1	3286686	CRVIUTXRBCFJSB-ZRDIBKRKSA-N	538.622	3.563	10	40	KHCB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1C	13127462	VODUUGOUSHWIGO-AWEZNQCLSA-N	518.478	3.920	10	40	KHCB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1	100286112	UDFRREZVZDZFSR-WJOKGBTCSA-N	632.743	3.850	10	40	KHCB	
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	103093139	GGDPNCYMDQATMP-UHFFFAOYSA-N	598.589	3.830	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C(=O)NC2=S)c1	6573620	MYOPJSIIHSUAKD-NVNXTCNLSA-N	538.363	3.538	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	8857989	VXTUHGHIZBKUHA-SJJRUYGKSA-N	522.652	3.718	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409382699	PNXNSXWFQKZAOD-JCMHNJIXSA-N	531.590	3.943	10	40	KHCB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1	408764095	IJBZTDBRKSZFDH-JLPGSUDCSA-N	531.590	3.943	10	40	KHCB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1NC(=O)c1ccccc1	409201715	NMLOATZKHKYQJC-BKUYFWCQSA-N	536.386	3.783	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=N)N21	20206951	WSBWNWGMUFYKFC-OEMPCWLZSA-N	512.613	3.792	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	408809733	HTNQOOIBVFWVGW-WSDLNYQXSA-N	533.562	3.721	10	40	KHCB	
O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	6475233	YSWNJOQZFBLOPQ-LHXZUMEBSA-N	605.699	3.886	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(OC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100553046	BPKDILXPVPYCLA-SGNDLWITSA-N	525.513	3.567	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1O	408895542	NFQSOFQKBXZGJW-LFYBBSHMSA-N	512.687	3.634	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409049135	UYTRSWMVVNXCBH-VXLYETTFSA-N	550.911	3.941	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	1294937	JNVHZOUZCIVGOR-QNGOZBTKSA-N	521.668	3.559	10	40	KHCB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br	1416647	OONNNCJDJUYHRR-MHWRWJLKSA-N	507.387	3.547	10	40	KHCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)cc1	409220529	BBVXADPQFVXSGW-HZHRSRAPSA-N	516.554	3.811	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940383	CDAJFEWPIVOSIO-SANMLTNESA-N	515.618	3.559	10	40	KHCB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3cccc(C)c3)CC2)c(O)c(OC)c1	20477507	BEBXBGDGKIMEAQ-UHFFFAOYSA-N	535.641	3.612	10	40	KHCB	
COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	100288102	GNSCVIRYUAJGQO-NTEUORMPSA-N	527.112	3.729	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	150470404	HYLUSWAKLQMGOU-JCAJYURWSA-N	715.351	3.779	10	40	KHCB	
Cc1ccc(O)c(CN2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c1	257218968	DFBAFBBPUWHETD-MUUNZHRXSA-N	517.066	3.994	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)cc1C	408773773	XGQUUVQDGIMLMM-MKMNVTDBSA-N	646.175	3.642	10	40	KHCB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18266862	NAEAGECPLDSEMC-VABKMULXSA-N	514.921	3.994	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223148141	GXQBEUCSEILCAH-FTJBHMTQSA-N	536.658	3.711	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OC(C)C	408797171	BMOGWSPOOKLOAP-CXUHLZMHSA-N	536.322	3.849	10	40	KHCB	
CN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)CC1	409008543	XPIWVEYNXOTVSN-UHFFFAOYSA-N	511.538	3.930	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C	409074256	LHHPPIDSHWDAIA-DEDYPNTBSA-N	519.579	3.729	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409259678	CJNCDOVTKFNKEZ-MTJSOVHGSA-N	544.520	3.904	10	40	KHCB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	10113522	MKKMQMUSGVGUQO-UHFFFAOYSA-N	509.628	3.816	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1ccccc1	8452602	DDPVWCQJPSNDOA-UHFFFAOYSA-N	520.323	3.703	10	40	KHCB	
O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	18284506	PEILBUQASSSWGA-QHAWAJNXSA-N	502.866	3.943	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C	408866581	GZLCUXKECWVLAU-DHDCSXOGSA-N	522.364	3.918	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409225981	RZZGCXRQGPPUDC-KGENOOAVSA-N	500.467	3.587	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409266361	YFIXDBUYGUTGNR-STZFKDTASA-N	544.520	3.986	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	409382831	RODWAKDFAGEZII-LICLKQGHSA-N	594.427	3.635	10	40	KHCB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCC(C)C	17145938	QDLKAMOMZGNUTK-NVMNQCDNSA-N	522.421	3.946	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)nc(OC)n1	100535704	BQCCUXZXLLDCSG-CPNJWEJPSA-N	528.978	3.667	10	40	KHCB	
O=C(O)CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S	102626041	ZTORXNMRWGJAAE-HAVVHWLPSA-N	598.728	3.626	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223207519	XRDYOPCSWSJRIG-SXOMAYOGSA-N	533.698	3.971	10	40	KHCB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408683305	HTNWACBJSWCOLQ-GVAUOCQISA-N	532.593	3.544	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(OC)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408710971	DBKXNHAFRSTLPB-UHFFFAOYSA-N	539.654	3.565	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1	409039767	DJZKEWPMYDBPBQ-XDHOZWIPSA-N	536.338	3.839	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409197553	IOQXTCXJOUDMCL-KGENOOAVSA-N	529.596	3.637	10	40	KHCB	
COC(=O)[C@H](CC(C)C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1565524645	QHRZREPJQBQDFC-WXVAWEFUSA-N	502.615	3.882	10	40	KHCB	
O=C1[C@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1	100369510	OBSXPFFGNRSMHP-BHIFYINESA-N	563.347	3.982	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C	223207637	XRDYOPCSWSJRIG-SVBPBHIXSA-N	533.698	3.971	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)cc1C	408534137	UYTXTRBBXVEJMQ-OQKWZONESA-N	551.607	3.791	10	40	KHCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1C	409252009	RFVPFNJYGNITFC-BKUYFWCQSA-N	514.494	3.896	10	40	KHCB	
O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccccc1	409400079	OLYQCJLLIIWCOM-WQRHYEAKSA-N	537.326	3.836	10	40	KHCB	
CN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	10113398	VLBWICXDIOICKM-UHFFFAOYSA-N	500.020	3.932	10	40	KHCB	
COc1ccc(CCNC(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)NCCc2ccc(OC)cc2)cc1	12620885	KRMPAMMPYHMJSI-UHFFFAOYSA-N	501.627	3.871	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	97947710	DXBLJTKQGAAISD-JWGURIENSA-N	563.705	3.991	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1	408950695	UDDAJKSIRDMJBF-YMSBRDKKSA-N	526.058	3.916	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409062606	XNEHHKGKRZNSJM-QTTRZTASSA-N	547.677	3.724	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCC1	409351677	UTFSMSCRQGVMLF-QNGOZBTKSA-N	511.625	3.633	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1cccc(F)c1	409399375	HMIAVEJRUZARPF-GRSHGNNSSA-N	555.316	3.975	10	40	KHCB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc3c(c1O)C[C@H](O)[C@H](c1ccc(O)c(O)c1)O3)O[C@@H]2c1ccc(O)cc1	1772591274	QGJBBIADDAZUFQ-AHUBIMSESA-N	558.495	3.562	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18181172	VUSUOUCIDZIQSR-FDFHNCONSA-N	500.438	3.737	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1	97964480	LLEXRPLKWHUTKB-MPZQNCSBSA-N	526.596	3.659	10	40	KHCB	
Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1Br	408689209	ROEXXKPAOWWQPX-ONTIZHBOSA-N	525.399	3.802	10	40	KHCB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408934013	CFOODDWKAIVQLM-IYMWYRQMSA-N	576.900	3.899	10	40	KHCB	
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1	6135841	WTFKKOKLHSRQLU-VWLOTQADSA-N	564.712	3.731	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1	409046471	KUVCPZJKKAECMV-KGENOOAVSA-N	578.375	3.920	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)N1CCOCC1	409206227	NHLVHLQPILKIDX-HMAPJEAMSA-N	576.096	3.831	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409267445	VQGRICAAHWBDGQ-BKUYFWCQSA-N	544.520	3.904	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c(C)c1	409268897	ZFXUHUYPHVFIEE-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O	4642553	OCWCOMFFTBXSEH-LJQANCHMSA-N	551.499	3.682	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C	409216184	FYQZJJPXSFQJBR-RGVLZGJSSA-N	507.478	3.681	10	40	KHCB	
COCCOC(=O)C1=C(C)N(c2cc(C)ccc2OC)C(=S)N[C@H]1c1ccc(N2CCOCC2)cc1	2664130	ZCIOYZDCKAHMET-VWLOTQADSA-N	511.644	3.740	10	40	KHCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	6232877	DXXKWQSQRSLGGW-YKNQWPHKSA-N	510.974	3.891	10	40	KHCB	
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1	12480853	LDWBCMOCSJBFTC-PWUYWRBVSA-N	526.641	3.875	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1cccs1	101396891	SXIPGOHTNGXMNQ-BTHBKKPGSA-N	532.625	3.766	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1=O	408534773	RCBIYOMJUJMYIA-CAPFRKAQSA-N	520.567	3.637	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)NC1=S	408743718	XPZGWDLRRHGNQM-VZUCSPMQSA-N	541.177	3.965	10	40	KHCB	
COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408761595	GUECDOUYXKVVPW-OQLLNIDSSA-N	552.175	3.738	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409061589	GBFDWRZCCJMVTA-XKGHIZKOSA-N	530.694	3.773	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c1C	409195513	VZHDKEPSNKRSGQ-FYJGNVAPSA-N	517.563	3.719	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCOCC3)nc12	12343987	BFKLNZLBOHSUHC-FXBPSFAMSA-N	506.653	3.674	10	40	KHCB	
CCOc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccccc2)cc1	20060666	DMPKURPDAQKARX-UHFFFAOYSA-N	509.628	3.638	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S	101964702	BLNJPSLPAGZECU-PXNMLYILSA-N	525.377	3.892	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1NC(=O)c1ccccc1	409213234	TWYFJDZULUBQQT-DEDYPNTBSA-N	507.344	3.918	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S	13811002	PBEPTZIBIBGARS-STZFKDTASA-N	506.653	3.803	10	40	KHCB	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	100244934	DNNYNDQWWWDTPP-ZELUPATCSA-N	527.584	3.918	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1	100660243	NNXZXWCUMPAEOX-GTWFGUSFSA-N	535.666	3.662	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4CCSCC4)nc4ccccn4c3=O)SC2=S)cc1	2340871	JAKISPUCCWQAFM-RGEXLXHISA-N	510.666	3.658	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	8872594	MJMVWGYFFGWMAZ-CIAFOILYSA-N	561.410	3.986	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)CC2)cc1	408920375	FHXDWOWWSBKFLK-UHFFFAOYSA-N	530.046	3.901	10	40	KHCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(OC)c1	409015414	ZRKJGTTWZKACMU-JJIBRWJFSA-N	508.644	3.927	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2=O)=N1	409036152	LCDXPKQJGJHYKM-IYVASWNSSA-N	541.629	3.935	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOCCOc4ccccc4)c(OC)c3)C2=O)cc1	408971701	JPNKMZYDDSLMHG-MOHJPFBDSA-N	532.549	3.845	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccco1	97964829	JJVJAERKPOOBPZ-WTZVULCFSA-N	530.584	3.545	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	101482369	SWCYMEANQQCZJY-YPAWHYETSA-N	532.892	3.952	10	40	KHCB	
O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	409045119	FOMHPTIOMSCPKS-WUXMJOGZSA-N	514.115	3.886	10	40	KHCB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	13880577	FEKIEYGEOZBKLY-UHFFFAOYSA-N	502.592	3.609	10	40	KHCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)cc1C(=O)OC	103920273	VJSSFOGYLCJZHN-XKZIYDEJSA-N	524.555	3.752	10	40	KHCB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3/C(=O)NC(=O)N(c4cc(C)c(C)cc4Br)C3=O)cc21	408537968	IRBYAYCTYGKCTL-KAMYIIQDSA-N	571.388	3.709	10	40	KHCB	
COc1cccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1OCC(=O)O	409159970	DBDDESHYGFBLHA-QGMBQPNBSA-N	502.614	3.607	10	40	KHCB	
CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC	409374620	VECUBHJRFKJYFO-AAWHYMEISA-N	524.311	3.732	10	40	KHCB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	6089821	XWPWNVITCOVEGI-DEOSSOPVSA-N	550.685	3.736	10	40	KHCB	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N\c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	100244928	DNNYNDQWWWDTPP-BQRJAFJYSA-N	527.584	3.918	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1O	409246783	DKNNJMLQZPTNAV-MDWZMJQESA-N	508.337	3.535	10	40	KHCB	
CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	15038188	NPQSFCZXIMOKKZ-RGEXLXHISA-N	503.671	3.862	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1	41084074	XQIKCNLNJLBIHS-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)cc1	101394312	CBKFAQLTDWWITC-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)s1	408531748	LLNSDFBBFQFUCZ-LFIBNONCSA-N	591.469	3.551	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC	408983142	KXHNYOGNXZUTOM-WQRHYEAKSA-N	592.386	3.861	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409081690	QDLNHMVKVSJZTH-UPWSPCOFSA-N	700.612	3.628	10	40	KHCB	
CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12	57316985	IRMNFVVCWZBCCQ-VQHVLOKHSA-N	505.560	3.812	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	59930190	FFSTZNVDOPWQND-SANMLTNESA-N	558.100	3.986	10	40	KHCB	
O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	97947608	HEJJDWTZHSKZNX-SUNMQZQPSA-N	551.669	3.540	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=N)N21	101394742	VZHPGHLIOPDFHP-UJADIJFVSA-N	519.402	3.649	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	150389312	UKOLQVJGMHCRQI-XQJRBFNUSA-N	715.351	3.779	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084514	YBZYOTGIWGYAKY-UHFFFAOYSA-N	577.209	3.769	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	6134207	PBKTXXREOPUWSJ-GDLZYMKVSA-N	551.651	3.882	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=O)cc1	8407705	XYECHHHBJPLCGI-HAHDFKILSA-N	518.522	3.837	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	18107439	GOJVYIANGUBDLN-NJYVYQBISA-N	502.866	3.943	10	40	KHCB	
O=C(Nc1ccccc1)N1CCN(CCNC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)CC1	97948057	QTPDXQVZFIPVCU-UHFFFAOYSA-N	550.704	3.766	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1	223164506	YQQPZNSPFFJTIF-FTJBHMTQSA-N	519.671	3.580	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1	408752615	FHZJYKTTYCYKOK-ODLFYWEKSA-N	648.469	3.974	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409096414	FRJLIYWCBPBJEX-GRPHBVMCSA-N	654.793	3.925	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)NC1=S	409123208	AHSWMBFKKZSSFM-LFIBNONCSA-N	504.381	3.565	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409386521	MABZPZLHXRMONN-LDADJPATSA-N	507.449	3.657	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	102548778	BSMAJDYWNVDVMJ-PYCFMQQDSA-N	553.685	3.788	10	40	KHCB	
N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	103596526	UEJVNBYXOKGDPC-RSRMSENYSA-N	528.388	3.577	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	103806042	CLMYMLAYLOXUPI-GJZGRUSLSA-N	593.668	3.950	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	103857068	OGBIAEMSPWYZCB-UHFFFAOYSA-N	534.388	3.934	10	40	KHCB	
O=C(C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	218374101	QJUIAQBWQMAJFS-GOSISDBHSA-N	529.471	3.591	10	40	KHCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	409013014	LYQCHOVRYNCSLS-RGVLZGJSSA-N	537.432	3.849	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1	409078097	HQDAKWGIBOCYJP-UNOMPAQXSA-N	532.421	3.748	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C3CCCCC3)CC2)cc1	6136636	REYSEELEXWFAKO-MHZLTWQESA-N	543.628	3.669	10	40	KHCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)N=C(S)N(c3ccc(Cl)cc3)C2=O)cc1	9349796	BBQUKNPVFJTWJU-HMMYKYKNSA-N	501.008	3.994	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)cc1OC	10113596	IMLGEYOACLKSRS-UHFFFAOYSA-N	509.628	3.816	10	40	KHCB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC	408538071	YUBDSAAOCVWSJY-MOSHPQCFSA-N	516.506	3.906	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409060786	VYIMRTCHIYAGCS-QTTRZTASSA-N	547.677	3.724	10	40	KHCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9282591	JYSQEQFVMBRNAB-VYIPLNHISA-N	511.007	3.616	10	40	KHCB	
CCOc1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)cc1	97946785	UTANECPALCTGJZ-MVUTXWCHSA-N	574.746	3.901	10	40	KHCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408533430	SFIJZLYEHLXCJA-VBKFSLOCSA-N	511.380	3.895	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409021938	GFOAAIUEQFNXHK-YJADQXIJSA-N	512.031	3.526	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1	409058108	RGSXGYDEUTXXLB-KGENOOAVSA-N	533.924	3.811	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409059673	WOEJYJIJIFXJFL-HZHRSRAPSA-N	557.559	3.864	10	40	KHCB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	3341446	GHNOBVXZVKGEBX-UHFFFAOYSA-N	519.583	3.934	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4Cl)cc3)C(=N)N21	20206119	KCMPIBKWLVENQQ-XSZXRDMNSA-N	519.004	3.809	10	40	KHCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2N=C(c3ccc(C)cc3)C[C@@H]2C(=O)O)SC1=S	256055885	XTDVTKBXHLFTBE-LPJDDIMUSA-N	523.636	3.734	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408637074	WZRCNHDOSXGVNZ-UHFFFAOYSA-N	537.682	3.594	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1	6245118	YBCNJOREIIQJGH-RUZDIDTESA-N	542.665	3.903	10	40	KHCB	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972020	RWBOKLJRXYGNQD-CQSZACIVSA-N	524.478	3.700	10	40	KHCB	biogenic
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc2)nn1	102579611	HPFQRPDJASMGQF-RGEXLXHISA-N	573.653	3.655	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)C2=O)cc1	408531203	NMYVWLWGRIUMMK-XQNSMLJCSA-N	520.567	3.773	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c(Br)cc21	408535438	SRIRDDPDYNUVSW-SDNWHVSQSA-N	577.233	3.947	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c2=O)=N1	409032743	NCJWYXKDFXNMGK-DBXPASCUSA-N	555.656	3.992	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409263526	LNFPAFAMHISYQZ-BKUYFWCQSA-N	515.522	3.702	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)N4S(=O)(=O)c3ccc(F)cc3)CC2)cc1	20449701	UOYQPRGEFJPCRF-LJQANCHMSA-N	509.603	3.937	10	40	KHCB	
O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCCN1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1	150447679	PMNKAZWTRVKOJX-SVJPUMPYSA-N	781.960	3.677	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408778129	BMTVNRGCPQMMAD-WXNJCMIJSA-N	504.583	3.794	10	40	KHCB	
O=C1NC(=O)C(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1	409089471	MLODNRQULKIZKQ-UHFFFAOYSA-N	500.183	3.918	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)N1CCOCC1	409197213	YRFNUGFUQIBGQN-FYJGNVAPSA-N	529.596	3.637	10	40	KHCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409250546	XHNAYPKGXYMCCQ-SRZZPIQSSA-N	528.587	3.556	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	97947742	OHKDOQJDRAEYOV-MIDMBNTASA-N	565.696	3.849	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(F)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101106390	WDRAATCJICGSLG-DNVJHFABSA-N	513.477	3.698	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409060842	YOVJTIXHOISKHM-BSGTYYGESA-N	530.694	3.855	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409388373	UOEXTKQHKDSPRE-OQLLNIDSSA-N	583.222	3.660	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101099803	HUMWITYZDYGYGP-PCCBWWKXSA-N	594.317	3.895	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2cccc(C)c2)OC32C(=O)c3ccccc3C2=O)cc1	101117301	IIMWVQCRKUTPNA-WXFUMESZSA-N	509.514	3.867	10	40	KHCB	
CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1Cc1ccccc1	102101080	BOHMVTQGCXKDBB-YFMKTMAWSA-N	510.644	3.839	10	40	KHCB	
COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N\c2ccc(I)cc2)C1=O	104219242	HAOZYUBBFVNVND-QNBCRBJRSA-N	519.299	3.526	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408553668	PANFNTOWPJOBBD-UHFFFAOYSA-N	559.225	3.696	10	40	KHCB	
Cc1nc(C)c(CC(=O)N2CCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C(=O)N(C)CC2)s1	643567932	AZWCYKOKYXRVDY-UHFFFAOYSA-N	548.709	3.723	10	40	KHCB	
OC1=C(c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	1560403783	ANVLEFSPVPIQRX-RNOQYBQRSA-N	576.510	3.820	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c(Br)c3)C(=O)NC2=S)cc1	408760875	AKUJMKUAZQLNOG-ODLFYWEKSA-N	618.443	3.965	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408950468	KKXGSEYGHYQRSV-GIJQJNRQSA-N	594.374	3.870	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965983	KQVQRSVPBDZHDA-GZTJUZNOSA-N	549.461	3.880	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OC	409178044	IJTMIHHMMGKNLG-XNTDXEJSSA-N	526.377	3.855	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	164399941	SIMSZRHSEFBBOI-KPKJPENVSA-N	680.233	3.808	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1cccc(F)c1	408913035	JVNDRWMJMMJYCZ-OVCLIPMQSA-N	540.354	3.665	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)SC1=S	409131948	PVQVMDNHBNMHHG-ZDLGFXPLSA-N	508.463	3.874	10	40	KHCB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c1	8859960	SSYUSYIOTGCWMV-KRWDZBQOSA-N	504.439	3.576	10	40	KHCB	
Cc1cccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c12	96222540	HXRAHFVAPYPQIK-AWEZNQCLSA-N	513.458	3.873	10	40	KHCB	biogenic
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccccc4OC(F)F)c(=O)n32)cc1	100936311	WJDJWXPSQYEACQ-JDCXBEBJSA-N	527.593	3.856	10	40	KHCB	
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1	103596214	HUUVDEAQZKOVFC-NJOZZACWSA-N	531.572	3.901	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1	103856670	LMUQLDBNCLWNHY-UHFFFAOYSA-N	540.354	3.617	10	40	KHCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O	408764655	MTYYUGLUOWKWFF-NTUHNPAUSA-N	557.138	3.743	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccccc1OC	409056365	QXFXHRPTBOWRAF-ASSGYOTOSA-N	517.651	3.716	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Br)c1OC	409094285	DGNKCDXDTFIXNX-RIYZIHGNSA-N	521.389	3.705	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC	409108312	ZXCJCSATQDTEEK-IAOUMNOZSA-N	562.736	3.967	10	40	KHCB	
O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1	2408381	PSEDQZZGHAMYBI-MOHJPFBDSA-N	549.678	3.626	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97946197	XNMYCXLFLPRPEK-NKFKGCMQSA-N	565.721	3.576	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1I	408743037	YTKZTDHDVGXZAF-NTUHNPAUSA-N	603.154	3.613	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C2=O)cc1OC	409146467	UHBITCPDVFQESE-CXUHLZMHSA-N	580.375	3.768	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	2245474	HCVAQQBOZOCMGX-ZHZULCJRSA-N	509.632	3.690	10	40	KHCB	
N=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	9281507	HXLWACXCGSJRJV-FNSVQNJISA-N	516.004	3.952	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC	9310895	OJGLXGFAPBTVKA-OVCLIPMQSA-N	506.296	3.592	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	100642293	LNNOOLWZGLVCLP-CVFJJXLISA-N	529.556	3.790	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	100860930	YHLWIGARCYPGJY-JWGURIENSA-N	535.695	3.949	10	40	KHCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1	225952285	WIQJSHLELMUVMP-UHFFFAOYSA-N	529.714	3.963	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OC(C)C	408694228	GLGOBSHXCZNNRP-OQLLNIDSSA-N	512.344	3.882	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Br)cc1	408797692	COSFJJZHUOJOLD-UHFFFAOYSA-N	510.138	3.549	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	408851345	BRTNVCBHCRWBEG-LICLKQGHSA-N	548.333	3.516	10	40	KHCB	
O=C1NC(=O)C(=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1	408890414	SRKKEOBXIJBMOY-UHFFFAOYSA-N	608.557	3.878	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408979007	BLSVQSXLGYIPLV-DYCDSJFESA-N	601.681	3.952	10	40	KHCB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	409104329	CWEZZEDTRKYIAI-RIYZIHGNSA-N	521.389	3.705	10	40	KHCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cc(Br)c2OCC(N)=O)C1=O	409248367	FUTWOUNPERSBDW-SDQBBNPISA-N	571.609	3.704	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1Cl	409267087	LULLKCZTNKLSHJ-UHFFFAOYSA-N	571.609	3.940	10	40	KHCB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1	8858076	ABUOKFAWPCTNEH-JCMHNJIXSA-N	519.696	3.855	10	40	KHCB	
CN1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O	100216009	JIDCYAGCYKRAHS-AWNIVKPZSA-N	538.148	3.580	10	40	KHCB	
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	102558790	BZWQMNQUEFAQPY-FKBYEOEOSA-N	579.346	3.995	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)O[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1	13564009	VXTUHGHIZBKUHA-POKCEJIYSA-N	522.652	3.718	10	40	KHCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	41077863	PWTOUVKCOYKMDD-LCQIMXFNSA-N	507.597	3.650	10	40	KHCB	
COc1ccc(N2CCN(c3cc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ccc3[N+](=O)[O-])CC2)cc1	100128394	DZXMNNAGESKUCQ-UHFFFAOYSA-N	551.669	3.749	10	40	KHCB	
COC(=O)COc1c(OC)cccc1[C@@H](CC(=O)OC)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448955	NCHWNCGQAPXBTK-QGZVFWFLSA-N	550.516	3.832	10	40	KHCB	biogenic
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)SC1=S)N(CCO)Cc1ccccc1	150463921	CLRVFCHDJLOHGH-BYYHNAKLSA-N	700.930	3.521	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1	408528563	BNHWPQISLPYKCZ-XBQPDYEUSA-N	513.462	3.889	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408886400	GUDOKGUUNIMDLB-VXLYETTFSA-N	663.402	3.951	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409086342	ZESSMXHUOYTOQU-VCHYOVAHSA-N	519.382	3.870	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1	409347603	QMGXOJBWEBQSHA-STZFKDTASA-N	601.640	3.926	10	40	KHCB	
O=C(NN1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1	409348706	OQWJRNGQUMIDLQ-PDGQHHTCSA-N	504.977	3.631	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(I)c1	409371844	IVJQSUVKWLZGHW-VXLYETTFSA-N	515.307	3.954	10	40	KHCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409386938	OSMOZXFYZAPUOJ-OYKKKHCWSA-N	514.607	3.814	10	40	KHCB	
C/C(NCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20287978	DNEMCDVZUAOKIT-JWGURIENSA-N	503.609	3.758	10	40	KHCB	
COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(c4ccc(S(=O)(=O)O)cc4Cl)N=C3C)n(-c3ccccc3)c1=O)S2	150407637	DATHLFOSKCTKRS-YFMKTMAWSA-N	641.152	3.689	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC	408933587	AZHBVOLACLYOEJ-OQLLNIDSSA-N	551.293	3.663	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)O	409050137	ZHRHYCCDBDQCLU-NYYWCZLTSA-N	591.141	3.736	10	40	KHCB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCOCC5)cc4)c(=O)n32)c1	409056920	FJNPMBPSJBVWPW-ACJNQYEBSA-N	566.683	3.719	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409264396	FNTZSVUMQYWNOB-XKZIYDEJSA-N	515.522	3.702	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409380269	AUWMTWHBHHDQBL-ZHZULCJRSA-N	560.519	3.686	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	17223333	QPFAOPKIJWFESN-ZONYTPJBSA-N	508.537	3.646	10	40	KHCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409092649	VYHJSSAZQQYWEE-CXUHLZMHSA-N	501.369	3.876	10	40	KHCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	20205682	DSPDYARQFLLVPN-QGUUBAPPSA-N	507.597	3.650	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)c(Br)c3)C(=O)N=C2S1	97964430	XNNIBSFVWJAOPQ-PMOKRTJVSA-N	549.428	3.528	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C3CCCCC3)CC2)cc1	6136652	REYSEELEXWFAKO-HHHXNRCGSA-N	543.628	3.669	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)nc(OC)n1	100535655	PKTYAOBSXVOQTE-CPNJWEJPSA-N	528.978	3.667	10	40	KHCB	
COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccc(C)cc5)c(=O)c5ccccc5n34)CC2)cc1	101531178	RYYQUTSAOHZMFA-UHFFFAOYSA-N	593.732	3.671	10	40	KHCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1	225952256	ZQICULBDXGMLSV-UHFFFAOYSA-N	558.756	3.727	10	40	KHCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	408527673	GEXLWOULUKEDBA-CYVLTUHYSA-N	566.504	3.727	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1O	408761115	BYVSBOAIJZFOGE-WUXMJOGZSA-N	510.138	3.901	10	40	KHCB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)c(O)c2)cc1	906411	ZLIBCJLXPIZEMX-GDLZYMKVSA-N	537.576	3.942	10	40	KHCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)CC2)cc1	26118720	SOFZXROCDJJYSA-UHFFFAOYSA-N	503.690	3.800	10	40	KHCB	
CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)NC1=S	408913666	MUWLWDRDAHWZDI-AWNIVKPZSA-N	555.204	3.955	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c(OC)c1	408942800	LHXLUTIOEHYWJR-VVNKCDPRSA-N	556.084	3.925	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409004286	PEBQAOKYBQKXFS-XSFVSMFZSA-N	503.486	3.551	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1	409382566	OYRGOJUOOKFRTP-HMAPJEAMSA-N	608.401	3.928	10	40	KHCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC	100954548	LKBNNNPZDXHSHV-UUMRFZBWSA-N	541.676	3.945	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1	103856678	XFHQGFCWYZBOTP-UHFFFAOYSA-N	536.391	3.786	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1	223207828	IHQATNJLNXLNMF-RRPNLBNLSA-N	533.698	3.971	10	40	KHCB	
COCCCN(Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12	524730190	YZVKKUBJPHTXEN-GBXCKJPGSA-N	500.636	3.626	10	40	KHCB	biogenic
Cc1ccc(C)n1-c1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CN(c3ccccc3F)CCN21	9430059	XOQOKNZJKNGNSM-RUZDIDTESA-N	515.589	3.521	10	40	KHCB	
Cc1nn(-c2cccc(S(=O)(=O)O)c2)c(O)c1/N=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12	25558261	VGKHKXLKQJVMER-DQRAZIAOSA-N	504.502	3.654	10	40	KHCB	
COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96114811	UTCYJTGDYPRRRW-AWEZNQCLSA-N	516.462	3.626	10	40	KHCB	biogenic
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1	97944543	VOKPNFVYOWQFJD-WQRHYEAKSA-N	530.356	3.861	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1	409384607	DBVMQCRKMGLGIX-ZHZULCJRSA-N	608.401	3.928	10	40	KHCB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	6077524	JTXPDJNBZMOALF-AREMUKBSSA-N	547.660	3.597	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	20567585	DFVLKQDONVZMQB-BAURHKQJSA-N	518.639	3.921	10	40	KHCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cc(I)ccc3Cl)CC2)c([N+](=O)[O-])c1	105303570	DPDWXNKWCPHYNK-UHFFFAOYSA-N	560.801	3.698	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408838532	XOICYBQSOLANAO-DLBLZJNESA-N	526.058	3.916	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)cc1	97964700	JMSLUBBMAKRKTM-KBOJLBFHSA-N	526.596	3.562	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408882024	NHBFCNBVZBKSLC-CJLVFECKSA-N	506.536	3.828	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1OCC	409262236	FYGYZYVMBVJRJQ-CXUHLZMHSA-N	625.270	3.930	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	6353962	KYDRIHZQXYQUSP-XXMKCSCWSA-N	500.624	3.654	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)cc1	6443719	MJNBFRLSIBXHFU-NDEPHWFRSA-N	539.615	3.931	10	40	KHCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1OC	101017401	LPSSXUKNDAQCOA-VMHRPQTGSA-N	553.662	3.979	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	101498191	YPAHBTRIKMOWIZ-OWQXJLPTSA-N	522.612	3.858	10	40	KHCB	
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)n3ccccc3nc2=O)c2ccccc12	230465215	ULPSGKSLVJBZFF-JOCHJYFZSA-N	525.561	3.854	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408780097	RZSLLLQAHRNVAE-VGOFMYFVSA-N	599.175	3.580	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	408986779	PEOMLIUYMQKPPY-QPJBPQEWSA-N	571.655	3.913	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)O	409143560	HEFZIPRQKXKXPZ-AWQFTUOYSA-N	516.641	3.998	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1ccccc1Cl	3664897	WRXLXGAHKDTZPK-UHFFFAOYSA-N	540.741	3.966	10	40	KHCB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	100075153	AXZLSSUWLAQMKB-UHFFFAOYSA-N	569.680	3.833	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1	409067212	PRLUDANKRBHIQE-KGENOOAVSA-N	540.937	3.561	10	40	KHCB	
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1	906314	CYAWWTDLWUOUDR-IUDBTDONSA-N	596.688	3.540	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(N4CCSCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	2318666	ACTJKPLMVINNIW-ZHZULCJRSA-N	524.693	3.966	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	18276847	CCVKOSDKZQOJNB-HKBOAZHASA-N	502.866	3.943	10	40	KHCB	
C/C(NCCc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20287990	FWUVFMDWYTVZAK-QJOMJCCJSA-N	517.636	3.801	10	40	KHCB	
O=C1/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)SC(=S)N1CCS(=O)(=O)O	102623355	CAKFMQIQIPTACN-PDGQHHTCSA-N	516.582	3.537	10	40	KHCB	
CC1(C)CC(=O)[C@H](CC2C(=O)c3ccccc3C2=O)C(=O)[C@H]1C(=O)C(=O)Nc1cccc2ccc(O)cc12	102967957	KBLDJIBQZZQFFC-RDPSFJRHSA-N	511.530	3.939	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12	97947268	UMWWLDFHPRYDCG-PGMHBOJBSA-N	567.668	3.535	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccncc1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106021969	PXQRJQIMERHEPB-BTZRARBUSA-N	508.600	3.514	10	40	KHCB	
O=C(O)c1cc(/N=N/c2ccc(-c3ccc(N/N=c4\c(=O)cc/c(=N\Nc5cc(S(=O)(=O)O)ccc5O)c4=O)cc3)cc2)ccc1O	150607183	HIQMSTLVIQOADM-BWODGLQLSA-N	654.617	3.577	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	408754262	JRVBUWQJHHGXGH-DHDCSXOGSA-N	538.363	3.538	10	40	KHCB	
CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)NC1=S	408908182	BLCQYKZINFHSFO-AWNIVKPZSA-N	555.204	3.955	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409073143	VFTGBFGEOIEQSB-XDHOZWIPSA-N	587.404	3.900	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	15012455	JQJWWDSHZOQCHD-YVLHZVERSA-N	501.333	3.674	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccccc1F	33356302	OHWZUKOZOCCKKU-CPIBVZOHSA-N	522.967	3.688	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)NC2=S)c(OC)c1	59594941	WTDLNZKIPWCUEK-UDWIEESQSA-N	505.552	3.641	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1Cl	101394628	DZPDOXJLVLDVSZ-JCMDWAABSA-N	532.987	3.579	10	40	KHCB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)Nc1cccc2c1C(=O)c1ccccc1C2=O	102931339	WEHUEYVCPMGBQD-UHFFFAOYSA-N	562.581	3.825	10	40	KHCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1	106709607	KWTGEJUNBVXICW-KQWNVCNZSA-N	525.627	3.946	10	40	KHCB	
COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	408989064	JPVZWJBPQQWDPH-NVNXTCNLSA-N	507.724	3.629	10	40	KHCB	
CCOC(=O)[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	409398827	DDSHMKGDANZNIZ-ZENNRRHLSA-N	632.192	3.688	10	40	KHCB	
Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3cccc4nsnc34)c2)c(=O)n(-c2ccccc2)n1C	2359187	VMFDHQXTOKDDMS-UHFFFAOYSA-N	520.596	3.542	10	40	KHCB	
Cc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	13138415	QVKKKURQHVHTQY-UHFFFAOYSA-N	522.715	3.869	10	40	KHCB	
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3\SC(=S)N(C(C)C)C3=O)CC2)cc1	100762455	QSVXEOWYUWXXPD-JCMHNJIXSA-N	535.695	3.948	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1	408946501	YUCLYMHUTXOBAN-DEDYPNTBSA-N	585.388	3.890	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2OC)cc1	409386570	MXRYBRNODTWWGR-FYJGNVAPSA-N	519.485	3.527	10	40	KHCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)NC1=S	4083864	MMQRSFFSKMGAMF-FYJGNVAPSA-N	517.563	3.884	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/NN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)C1=O	100959041	QESWHAHTJMWFLA-YBEGLDIGSA-N	598.207	3.941	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408979010	BLSVQSXLGYIPLV-WLNFRNCRSA-N	601.681	3.952	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408537991	YEJNESDFDVCLFU-VCHYOVAHSA-N	520.881	3.963	10	40	KHCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	408876679	PUCBBRFWFOQIAW-OVCLIPMQSA-N	527.112	3.729	10	40	KHCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409024796	HKVKXSXGADMWAP-MFOYZWKCSA-N	553.334	3.893	10	40	KHCB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409153430	HZUOZTSFLQKXCA-JAIQZWGSSA-N	560.972	3.546	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(O)=NC2=S)cc1	59104819	PCBOTYSFIBCWLB-JCMHNJIXSA-N	518.595	3.570	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1	100861003	IJUUUBZECZISOU-PYCFMQQDSA-N	548.690	3.918	10	40	KHCB	
COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1OCc1cccc(C(=O)O)c1	408917100	MOABWCNGSKQFGH-MOSHPQCFSA-N	506.511	3.943	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)OC(C)C)cc4)c3C)C2=O)o1	409400796	QZKNDLWJRIBMJL-QRVIBDJDSA-N	535.553	3.897	10	40	KHCB	
O=S(=O)(O)c1ccc2c(/N=N/c3c(O)c(S(=O)(=O)O)c(S(=O)(=O)O)c4ccccc34)c(O)ccc2c1	584577857	XZCNWOOPLYLBII-QURGRASLSA-N	554.536	3.560	10	40	KHCB	
COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408529318	HLWMLYJIYFQUSR-NBVRZTHBSA-N	577.457	3.520	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)cc3OC)C2=O)c1	408859605	YNUOGPYIPXPCSR-OQLLNIDSSA-N	519.348	3.930	10	40	KHCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)cc1	32961250	XJBBDZHYBYCIMC-FWPSJRISSA-N	500.558	3.523	10	40	KHCB	
COC(=O)c1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(C(=O)O)cc2)N=C1C	36612649	WMWOCCAVKVYTSX-PXLXIMEGSA-N	513.506	3.995	10	40	KHCB	
COc1cc(OC)cc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1	100152781	NKQBDCJKUPTWJP-XPWALMASSA-N	501.466	3.538	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	100262660	DOCCKRGDBKLDJK-QPJBPQEWSA-N	571.655	3.913	10	40	KHCB	
CCOc1ccc(NC(=O)[C@@H](/N=N\c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)C(C)=O)cc1	104123811	GKDRWALHGQSUBZ-LYEHZDMLSA-N	502.578	3.726	10	40	KHCB	
COC(=O)C[C@H](c1ccc(OCC(=O)O)c(OC)c1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108448352	BQXTVRQTLUHJIV-MRXNPFEDSA-N	536.489	3.744	10	40	KHCB	biogenic
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408538342	LHCKDJSNOOCORP-UHFFFAOYSA-N	504.564	3.776	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1C	408846446	JOWCSZHVVZWUQT-WSDLNYQXSA-N	501.495	3.774	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(OCC)c3)C2=O)cc1OC	409135635	RMVOPTQHWVLHKN-RQZCQDPDSA-N	638.411	3.613	10	40	KHCB	
CCCCCCN1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	9462599	DOADDGNUYBPDDI-QNGOZBTKSA-N	505.596	3.698	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(Cl)cc1	101394617	SXDKPLIVZIMSJN-ISFIWZGBSA-N	532.987	3.579	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408840643	HLZWCXFAGWSRGR-ASZNLBCTSA-N	584.698	3.970	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21)Nc1ccccc1	409190791	QVDOAQITRSAKKQ-HYARGMPZSA-N	524.558	3.810	10	40	KHCB	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2F)cc1	9434312	OGKQIVDALTXHOB-UHFFFAOYSA-N	513.591	3.996	10	40	KHCB	
Cc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	20205878	MVWUKUBVKYLTKF-SMTYPRMSSA-N	521.624	3.958	10	40	KHCB	
COc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1	108449965	XIZNEEYQBYAPQL-OAHLLOKOSA-N	543.484	3.584	10	40	KHCB	biogenic
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(C)C	408810109	IEVRGJAYEUMBOE-VIZOYTHASA-N	504.293	3.820	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1	409043039	PGRYSYJUMDYIHX-OEAKJJBVSA-N	515.522	3.696	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1	409065791	NGQJWIVBYKMVRA-STZFKDTASA-N	512.927	3.783	10	40	KHCB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1	409225285	NZLCYFRLOUDWCM-UDWIEESQSA-N	520.885	3.932	10	40	KHCB	
Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	3306339	DTLMHYWRTCSFMB-UHFFFAOYSA-N	533.002	3.514	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C	14009379	PRYFITQAEUHCLJ-MTJSOVHGSA-N	503.515	3.851	10	40	KHCB	
C[C@@H](CNCc1cc(I)cc(I)c1O)CN1CCCCC1	48277668	OSZGTJWGSVUBPT-LBPRGKRZSA-N	514.189	3.813	10	40	KHCB	
Nc1ccc(-c2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(S(=O)(=O)O)c1	3954681	DKIXYFHAZQQVHO-UHFFFAOYSA-N	565.585	3.530	10	40	KHCB	in-vitro
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12	100860293	DNDJXFVTDLNSGP-LTGZKZEYSA-N	567.668	3.535	10	40	KHCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1=O	408528777	BWSGSUSTSASFED-RDWOUUGISA-N	513.462	3.889	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc2ccccc12	408735241	MUIWRKXRRPIGSI-UHFFFAOYSA-N	528.302	3.781	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408888481	VWDBBSRJAJFHII-VXLYETTFSA-N	571.951	3.999	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)cc3)C2=O)cc1	409379349	WISPVRPZQFUOLV-RCCKNPSSSA-N	503.486	3.908	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@]21SC(=S)N(Cc2ccco2)C1=O	106021891	QPDKHCINUNUSBH-BTZRARBUSA-N	508.600	3.514	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)CC2)cc1	408714774	NWRQGHYLJISQND-RUZDIDTESA-N	528.030	3.654	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1OC	409129106	UKMVBMJXQBSFJZ-XQNSMLJCSA-N	550.589	3.914	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)CC2)cc1	409174338	SJWSPPVUIPEADQ-UHFFFAOYSA-N	591.471	3.844	10	40	KHCB	
COc1cccc([C@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccc3c(c2)OCO3)c1O	2746960	SDBIPABLIKRLEU-NRFANRHFSA-N	559.316	3.646	10	40	KHCB	
O=C(O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)SC2=S)cc1	8828421	IBSNKVOASNFKJT-BUHFOSPRSA-N	502.576	3.724	10	40	KHCB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3csc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)n3)cs2)cc1	101513551	AFRYCIIWDSSNAT-UHFFFAOYSA-N	592.706	3.785	10	40	KHCB	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)cc2)CC1	225807419	ACDPQIZOCRCBMU-UHFFFAOYSA-N	543.114	3.995	10	40	KHCB	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1	100972320	AEAKGFLVKHMFOZ-SLHXSTLSSA-N	519.526	3.673	10	40	KHCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C1=O)n(C)c(=O)n2C	408532140	MAEOGFOKLIMNHD-DTQAZKPQSA-N	569.460	3.681	10	40	KHCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409010938	DUKZAJBHNRKGLJ-UHFFFAOYSA-N	541.560	3.516	10	40	KHCB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409196039	YIKCWUMTJOEBNJ-UDWIEESQSA-N	503.536	3.630	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c(C)c1	409262817	HRIJWCMSVHLYCR-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	97947264	VUNDJEDKISLROL-YTLMXASBSA-N	558.641	3.970	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	408742034	OWRJEFHYVSJSAR-LFYBBSHMSA-N	572.109	3.637	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1O	408897729	ZOBJDGZFPOQKFO-RIYZIHGNSA-N	506.296	3.679	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408981551	BQRMSJVYIGBROP-NSIKDUERSA-N	537.750	3.638	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	9327376	WTPRZTRYVWNMLL-IWIPYMOSSA-N	515.522	3.908	10	40	KHCB	
CN(Cc1ccc(Br)o1)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	32914749	NHFMIEFMWCNFDI-UHFFFAOYSA-N	510.322	3.729	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(I)c1O	36613112	RNRZUEZJZCSOSO-UKTHLTGXSA-N	507.371	3.852	10	40	KHCB	
COc1ccc(OCCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1	101394384	MMIFZKHFHJYYAB-NKFJNAIASA-N	537.623	3.740	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	101602645	MDBCIWYPEWNOHB-MWJIIQFGSA-N	609.476	3.994	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1	223143952	NLTZXWZPESPIFW-SXOMAYOGSA-N	504.704	3.860	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1	408994467	ZIFKQQVDIXOHGR-CPNJWEJPSA-N	543.590	3.861	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1	409067120	BOOCSOMBWVMQQU-CPNJWEJPSA-N	557.378	3.892	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409084674	VYUWPVKSXPNPPL-RQZCQDPDSA-N	549.408	3.879	10	40	KHCB	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccc(OC(F)F)c(OC)c4)c(=O)n32)cc1	100936005	PBTPFZVKFALCOG-WLGHQHAYSA-N	557.619	3.864	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2	103857245	GFGJFJRJQBCBKT-UHFFFAOYSA-N	533.400	3.754	10	40	KHCB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	105352973	ZCDXUVZCIUEVEW-ONNFQVAWSA-N	580.711	3.653	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408695386	SWPKEPVGAOMKBU-VCHYOVAHSA-N	607.376	3.861	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1	97964489	DWWUXINICSCCOD-STFAQDPBSA-N	539.016	3.641	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	408538227	ZIILGWKDVWXIRE-MLUQCUIJSA-N	543.488	3.897	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1	100336464	NDSJHYQFSQEMPB-PWUYWRBVSA-N	544.631	3.702	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O	108658266	OOGUBWGHDHVVGJ-ZROIWOOFSA-N	506.296	3.537	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1	408849036	UURYGJXXUOJDMW-WSDLNYQXSA-N	517.563	3.939	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC[C@H]3CCCO3)nc12	100763747	GZUVDZQHBVGVDH-BYINCCNUSA-N	536.635	3.724	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1cccc(C)c1	103856684	HVFCHFJJURVVNW-UHFFFAOYSA-N	536.391	3.786	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	408529552	INTBNSGPFDGOOI-ZROIWOOFSA-N	533.390	3.556	10	40	KHCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	20207429	ODWNZAQGAKLCNF-MQIWZSEOSA-N	513.557	3.574	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CN(c4ccc(F)cc4)S(C)(=O)=O)c3)CC2)cc1	224762325	VDXGYCFQZRWPPV-UHFFFAOYSA-N	527.618	3.772	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	408812195	COHSFENEXDIMGM-LPYMAVHISA-N	533.562	3.721	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1C	408854982	BOHBGRVGYUJKTM-WSDLNYQXSA-N	517.563	3.939	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1	408984280	MIGFURGUQHFTDG-OCEWKHMESA-N	541.629	3.904	10	40	KHCB	
COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	409047691	PUWXCPACYHQZDC-NTUHNPAUSA-N	525.109	3.795	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6077462	GHIZITQAMYFLPC-NRFANRHFSA-N	508.648	3.583	10	40	KHCB	
COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCN(c6ccccn6)CC5)c(C)c34)CC2)cc1	9434290	FRACJDGKWSJCAH-UHFFFAOYSA-N	529.670	3.692	10	40	KHCB	
COc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)sc2c1	408529329	HNMHMOXBJJMSGT-UKTHLTGXSA-N	501.362	4.263	10	40	KHCB	
O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	902638	CCZMLFAGUPEDCW-NDEPHWFRSA-N	543.580	3.795	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c(OC)c1	101396357	RVSWYAGXKGYKGS-XSHSNWJLSA-N	529.644	3.759	10	40	KHCB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccncc2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	101405121	IDLJIICRYFXHEU-OFEZKSIWSA-N	548.665	3.930	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1	408528521	BMGAHPQVLXDRAH-KGENOOAVSA-N	502.479	3.598	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1	408799929	JLDHCNVHUADUBK-LPYMAVHISA-N	504.470	3.866	10	40	KHCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)c1C	408809816	JMRROIVDLPJCKO-CIAFOILYSA-N	517.563	3.939	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1cccc(F)c1	409048622	STELTNIQNUJXGS-UHFFFAOYSA-N	514.170	3.844	10	40	KHCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1	9454051	YZHWUEDVVVWLRC-RWYGKYMDSA-N	504.616	3.525	10	40	KHCB	
COc1cccc([C@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)c1O	15276080	MNQQJSUXXYLZJS-ZQIPMTRKSA-N	525.561	3.707	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	103849552	KHZBTUYPEHUKFI-VGOFMYFVSA-N	525.714	3.850	10	40	KHCB	
CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCC[C@H](C(=O)O)N3C(=O)/C(=C4/C(=O)N(C(C)=O)c5ccccc54)SC3=S)C2=O)c2ccccc21	150431146	PUEIGVHXIJEVDA-ZGGBJSIHSA-N	720.832	3.939	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc(C(C)C)ccc4OC)C3)CC2)cc1	408700084	ASJBMBVGQSMUBS-QFIPXVFZSA-N	515.676	3.577	10	40	KHCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408779991	PJFORBZMRVRQJA-YPZMPRRGSA-N	504.583	3.794	10	40	KHCB	
CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)ccc1OC(C)=O	2672228	AIRCXDQJFHQZPX-UPWSPCOFSA-N	577.703	3.824	10	40	KHCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1	8819570	SMEMWYUMWRNGEY-PYCFMQQDSA-N	509.653	3.803	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1	100870517	CPFGELDYLYVTQE-PZHBDVNGSA-N	526.456	3.627	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260801499	ZPTQMFNSLSXHKK-FCHUYYIVSA-N	529.703	3.762	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c(OC)c1	409064635	DRZOFROEIOGOIG-LDADJPATSA-N	559.385	3.930	10	40	KHCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408531924	HOXUKUKEYLIKBG-DHDCSXOGSA-N	555.122	3.645	10	40	KHCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(I)cc1	408741691	NGNKJJBJLXGDJA-RIYZIHGNSA-N	513.154	3.885	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408756868	XWDRDNLXJCHDNZ-ZSOIEALJSA-N	531.387	3.622	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1	409361192	AMEBIHRHNXBIAW-FYJGNVAPSA-N	519.485	3.527	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408781451	ALRKRLLUBFATIO-VIZOYTHASA-N	613.202	3.889	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1	409033684	OSXIGXRECVTNPB-GTWFGUSFSA-N	541.629	3.904	10	40	KHCB	
CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409352821	DXVXPSOXBJHNFG-NVNXTCNLSA-N	504.293	3.821	10	40	KHCB	
CCOC(=O)[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	409398826	DDSHMKGDANZNIZ-CDCQXCROSA-N	632.192	3.688	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	8777681	BCNDOGUUPCXIRR-XYGWBWBKSA-N	507.612	3.641	10	40	KHCB	
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1	9210625	XLWXDZSWNUBZLS-HIHWOFHQSA-N	513.535	3.985	10	40	KHCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	103596387	RVKGAUZOXRPKIF-YOEUJWOZSA-N	544.559	3.981	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223148077	GXQBEUCSEILCAH-CLJLJLNGSA-N	536.658	3.711	10	40	KHCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	408903817	ZWLWXYCAHZANOH-RIYZIHGNSA-N	510.138	3.895	10	40	KHCB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1	409041433	VUWDRCIBJUDDKY-GTWFGUSFSA-N	541.629	3.904	10	40	KHCB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1	6135982	OKXXMFIYXQNVRG-RUZDIDTESA-N	558.664	3.603	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	9434797	TVWBOFZZNHQZMD-UNOMPAQXSA-N	504.561	3.918	10	40	KHCB	
CC[C@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O	16736188	WVVHHZBWPCEYNW-JQFNYASXSA-N	501.033	3.932	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC	409355109	BRCJAIAHFVDFRH-MOSHPQCFSA-N	516.597	3.582	10	40	KHCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1	2376512	CFVIZLGTFGKWGO-XLNRJJMWSA-N	519.696	3.589	10	40	KHCB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	14011196	UKMCAULVTYTNOQ-CXUHLZMHSA-N	520.323	3.982	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(I)c1OCC(=O)O	97960535	ARVFDMYLKHKMSY-NVNXTCNLSA-N	550.305	3.968	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1OC	101118443	ABDHKSYGTIJELY-AQRUSWPISA-N	543.561	3.994	10	40	KHCB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)cc2)s1	408526129	AARVQUXTJWCOHS-LFIBNONCSA-N	605.496	3.859	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c(Br)cc1OC	409013890	OEEGUQXRHQQAJB-ATVHPVEESA-N	503.349	3.882	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C	409255244	ZNHCGWMXORABTF-HMAPJEAMSA-N	514.494	3.896	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cccc(C)c1C	101394487	PKGLGVMNZMDGDV-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	408777408	YJTANWDCRPWSNK-VCHYOVAHSA-N	592.386	3.915	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409260976	ZFHLVURLKOIUCM-WQRHYEAKSA-N	550.911	3.941	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409357621	JOIZCIRNVSQZLS-XSZPGNIMSA-N	534.638	3.861	10	40	KHCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)cc1	59594732	VMFUVFPPALETGF-CPNJWEJPSA-N	506.536	3.972	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	104090508	QEIALNPKTRAHQP-KRXRYSOXSA-N	510.532	3.510	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408730048	DUKAODXIBISOQP-XQJRBFNUSA-N	532.449	3.986	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408828768	JFAAPPYCIAKYSR-PRLWALMFSA-N	631.707	3.930	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O	408848836	WLPTXQLJWFPKKG-IZZDOVSWSA-N	514.101	3.731	10	40	KHCB	
CC(=O)OCOC(=O)C1=CC(=C2c3ccc(N(C)C)cc3Oc3cc(N(C)C)ccc32)c2cccc[n+]2C1=O	1775937461	JNVNRNBXFHGZHT-UHFFFAOYSA-N	526.569	3.815	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)CC2)cc1	22233712	ADVFWTOPYNHKNK-UHFFFAOYSA-N	527.618	3.528	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccccc1	97964726	OBHMQAOPBXURCL-OCTOJFLBSA-N	528.612	3.554	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408755823	PLWQKFDIRWAJGH-AUWJEWJLSA-N	531.387	3.622	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)c1	408781670	CRLOTVRPABCVEK-MKMNVTDBSA-N	662.243	3.807	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408978691	ANDNNORJMVAGNN-JYNXQWRTSA-N	585.638	3.663	10	40	KHCB	
NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	409224634	LKPISUDYKYRSRU-LFYBBSHMSA-N	602.033	3.505	10	40	KHCB	
O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1ccc(OC(F)(F)F)cc1	3240063	IMOFXCPDBALHPS-UHFFFAOYSA-N	516.475	3.949	10	40	KHCB	
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NCCN1C(=O)CSC1=S	9703485	XMPQMPNKJLRDQN-UHFFFAOYSA-N	500.001	3.689	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(OCC)c3)C2=O)cc1	408871733	ZIIJEVDYNHBUOG-WOJGMQOQSA-N	534.306	3.533	10	40	KHCB	
CC(C)CN1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC1=S	100763011	MDUIFFFSLADYQB-UCQKPKSFSA-N	563.705	3.603	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	103859977	OOFOAJGLQXUVTD-LFYBBSHMSA-N	525.109	3.795	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408897350	ROULVBYNBYKPHW-UDWIEESQSA-N	584.990	3.878	10	40	KHCB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc3c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3)O[C@@H]2c1ccc(O)cc1	1772591277	QGJBBIADDAZUFQ-YMRZRZABSA-N	558.495	3.562	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	9232425	RVAZMIXTADPZIO-OQLLNIDSSA-N	513.018	3.898	10	40	KHCB	
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@@H](c1cccnc1)[C@@]21SC(=S)N(Cc2ccccc2)C1=O	13591732	QRDCMAVLQDFTAH-KWTBFXGESA-N	518.639	3.921	10	40	KHCB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1	97947621	LPTIDSADSSXPLA-QNGOZBTKSA-N	556.691	3.856	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1ccc(C)cc1	97964518	VCQPOKUQAHUWFC-UDYIERFUSA-N	547.014	3.888	10	40	KHCB	
CCOC(=O)[C@H](C(=O)C(=O)Nc1nc2ccccc2s1)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	103860128	IYCDLYGOBNKLBL-FQEVSTJZSA-N	566.551	3.575	10	40	KHCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	408530168	IVFWJZUGWYQOPE-JXAWBTAJSA-N	539.434	3.503	10	40	KHCB	
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC	408799777	LBJOSPUWNBQBBW-OQLLNIDSSA-N	520.323	3.982	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	408887530	PBQZSDCRELPVAS-UDWIEESQSA-N	541.925	3.991	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409003666	JILUGYVLJORRAE-KOEQRZSOSA-N	527.577	3.758	10	40	KHCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1	409065833	NTABFSQFMGMXLX-QGOAFFKASA-N	527.352	3.883	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)N1CCOCC1	409207434	WUOZBMJARKNWHY-KGENOOAVSA-N	502.589	3.868	10	40	KHCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1Br	409273521	RJVKRNIUPVNBQJ-GRSHGNNSSA-N	518.389	3.961	10	40	KHCB	
CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2cc(Br)ccc21	8777992	SMJYSSYHFJLYGO-OYKKKHCWSA-N	615.550	3.810	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Br)c1OC(C)=O	100164414	HKPSJEHXWQLZGT-NVNXTCNLSA-N	524.165	3.997	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(I)c1OC	408744429	ZSXBMXPJDZHMKA-AWNIVKPZSA-N	557.138	3.737	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)O	409056941	NRQTWYAEIAOGQG-MKMNVTDBSA-N	584.750	3.782	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)N1CCCC1	409254837	GAMXDSNOVZRLLQ-GDNBJRDFSA-N	532.425	3.522	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1	409380776	IANRDTSAZQVOET-HMAPJEAMSA-N	563.950	3.819	10	40	KHCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	22830729	VIJRKWAYHPZQSF-LORYXUCWSA-N	506.628	3.738	10	40	KHCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1OC	27019592	WKWPBAAMKUBHSB-HAHDFKILSA-N	517.611	3.724	10	40	KHCB	
Cc1cc(O)c([C@@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c2c1C[C@](C)(O)[C@H](c1ccc(O)c(O)c1)O2	256007877	VWKAFYWVDIOMSL-DSTFDKHLSA-N	590.581	3.988	10	40	KHCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1	408887639	QAUJZOPTEAKAJJ-XDHOZWIPSA-N	557.378	3.897	10	40	KHCB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2OC)cc1	409263978	JUASYTVFPMTJAJ-MOSHPQCFSA-N	516.597	3.787	10	40	KHCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	8819544	KHVBSGMWEHBWND-WQRHYEAKSA-N	501.542	3.707	10	40	KHCB	
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97971977	IXLKJEVPRSMNAQ-CQSZACIVSA-N	562.483	3.798	10	40	KHCB	biogenic
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	100774606	ZDXIPJNUTAGFOA-ODXGNSPJSA-N	535.695	3.791	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409071724	PFUQJTODTMISLD-ZNRKBWGRSA-N	595.677	3.501	10	40	KHCB	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1	19995820	JLTADXPIGIGQJP-JCMHNJIXSA-N	519.696	3.935	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC	34700794	SINYDXWFTBZZBY-BOPFTXTBSA-N	506.989	3.837	10	40	KHCB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70664678	CDVBCDJCQLWGKB-KRZJEZTLSA-N	602.976	3.575	10	40	KHCB	biogenic
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1	100241272	LMUCQQCPFFZGBD-HAHDFKILSA-N	525.517	3.557	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	103850398	AHHACYCEQDKXNN-CXUHLZMHSA-N	535.322	3.595	10	40	KHCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	408529119	GZTIPUJHIWKNDC-JXAWBTAJSA-N	553.461	3.811	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1OCC	408943072	XYDDOZNGCFOWQT-TXSSFMROSA-N	601.681	3.921	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C2=O)cc1	409261594	DYBIPEAFBBCRDK-ZHZULCJRSA-N	533.924	3.811	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OC	409348687	OMEDWMHRHSKSIO-MDWZMJQESA-N	532.406	3.916	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851615	PCSMBCLSORKMBS-IZZDOVSWSA-N	572.206	3.734	10	40	KHCB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408686171	MSABIQWEKUWIHN-SDHOMARFSA-N	532.593	3.688	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)C2=O)ccc1Br	408760754	FMPGINUZECNPCR-NTUHNPAUSA-N	538.148	3.650	10	40	KHCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c1	409253468	BLVWRHHDIONCAS-XKZIYDEJSA-N	500.467	3.587	10	40	KHCB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409399822	NBZKZWKILAUQPU-GQVHDAKQSA-N	523.767	3.903	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409362621	IPSYLJQUOHIVCE-GRSHGNNSSA-N	631.354	3.828	10	40	KHCB	
Cc1c([C@@H]2C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@@H]2C)c(O)c2c(c1O)=C(Cc1ccccc1)C(=O)C(=O)C=2	1560403753	OTPQYBGJCDPNKT-XGCWNURASA-N	588.612	3.533	10	40	KHCB	
CC(C)CN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	19707559	NIKDINOUBHIVDH-JWGURIENSA-N	519.696	3.874	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	408571599	BVECRIUVKWRTHH-STZFKDTASA-N	502.589	3.868	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1O	408879934	GDDPBIPQCNVMIG-RIYZIHGNSA-N	506.296	3.679	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	408918238	HWCHKSYDMHKCAC-MOSHPQCFSA-N	505.527	3.683	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409066703	CGPVJKQZUWOVRA-KGENOOAVSA-N	584.990	3.959	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1	902581	XIVGPGGKLPFUNQ-NDEPHWFRSA-N	527.581	3.878	10	40	KHCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)SC2=S)c1	33560743	KQWZFVWUJFYJQY-FYJGNVAPSA-N	507.593	3.604	10	40	KHCB	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	51353928	QISHERPDNUYSOB-RZDWPUGNSA-N	519.648	3.988	10	40	KHCB	
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@H](c2cccnc2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	97957169	XHTUBOCAXFEDEN-ZGOJTZKKSA-N	548.665	3.930	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1	408917265	QBNYNLQQDOMKOP-VGOFMYFVSA-N	587.233	3.898	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408978711	ARUMMIQGQWIHPN-KEWOFRHOSA-N	532.485	3.688	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cc(OC)c(O)c(Br)c2Br)C(=O)N(c2ccccc2)C1=O	409021235	ZIPCOAXQBFCCCJ-UVTDQMKNSA-N	554.191	3.951	10	40	KHCB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCOCC5)cc4)c(=O)n32)c(OC)c1	409056685	HUARLXGEKDRRAN-RAWKODRKSA-N	596.709	3.728	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br)Nc1ccc(F)cc1	409374730	XTBDYJYFXCUWCU-VCHYOVAHSA-N	542.317	3.861	10	40	KHCB	
C[C@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)O	409399073	FRLWMJWVQVKVCA-BNDQCTAISA-N	510.138	3.525	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6077454	CFTXHIRJQUHHQN-NRFANRHFSA-N	526.638	3.722	10	40	KHCB	
C/C(NCCN1CCN(C(=O)C(C)C)CC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	19940212	HQABAESNPYASFX-HIXSDJFHSA-N	516.671	3.711	10	40	KHCB	
O=C1/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	71787451	CXUOWHQWWKLZGL-ORTNRGLGSA-N	504.637	3.637	10	40	KHCB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1	113625344	UUTAHRJTTOMLCR-UHFFFAOYSA-N	591.471	3.640	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)NC2=S)cc1	408755754	PDYBUGHXQFZVTN-BKUYFWCQSA-N	503.492	3.654	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(F)c3)C2=O)cc1	408891599	TVHHQYOBTZZJLU-LPYMAVHISA-N	504.470	3.866	10	40	KHCB	
CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)ccc1OC(C)=O	2672226	AIRCXDQJFHQZPX-ZJTZAHLKSA-N	577.703	3.824	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OC	408786757	NCYTUTTXXUKDIW-OVCLIPMQSA-N	506.296	3.592	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409064574	DJJUMVDFHPCORT-UHFFFAOYSA-N	507.656	3.852	10	40	KHCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1	409149794	RBBFDUWRLSDBKV-UNOMPAQXSA-N	519.004	3.939	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409260242	NFKIFKOUENYEOM-STZFKDTASA-N	515.522	3.783	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409378238	NWQHHFUGSIMEJJ-HKWRFOASSA-N	531.590	3.943	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)O)cc1	409400931	VRFHQWPKFCYUBY-NDENLUEZSA-N	503.467	3.732	10	40	KHCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	9310607	DFULOXYWJWUBJJ-IAFWPLRWSA-N	511.650	3.936	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)c(C)c2)cc1	13669728	IFIOJHIYDVLGGJ-UHFFFAOYSA-N	507.656	3.960	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	97947512	FUFZECYYHNWUDS-QJOMJCCJSA-N	565.721	3.576	10	40	KHCB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)c1	97964396	ADQYWLFOKIQHIG-VZKFJVGXSA-N	542.639	3.645	10	40	KHCB	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccccc4OC(F)F)c(=O)n32)cc1	100936312	WJDJWXPSQYEACQ-QFVBLGFASA-N	527.593	3.856	10	40	KHCB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(I)c1OC(C)C	108422867	FHAPCCVVAUNIBX-MFOYZWKCSA-N	555.394	3.541	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	206911430	JDFVDIMGGRQYRI-STZFKDTASA-N	562.069	3.523	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	409272150	PABJLMPLLXVGGI-PDGQHHTCSA-N	521.913	3.738	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1	409379925	CGEMPQSVQBVEQQ-NDENLUEZSA-N	566.364	3.847	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)cc3)C2=O)cc1	409382851	SCIJAFAOGJHPTA-CJLVFECKSA-N	515.522	3.778	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F	97964461	VKTORKBRCGTNID-CPIBVZOHSA-N	522.967	3.688	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccncc2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	101446929	YVZIMSNIGZLLKR-OFEZKSIWSA-N	530.675	3.790	10	40	KHCB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	101954981	XHZJVTAXFNBTMO-FKBYEOEOSA-N	579.346	3.995	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223255260	KMNZBWQMQWKICY-SVBPBHIXSA-N	504.704	3.860	10	40	KHCB	
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	8430102	DDWPNRRDUCYGNH-HKWRFOASSA-N	520.567	3.692	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1	100336617	ZZELVJDMYFEIMK-AKGWNBJDSA-N	596.688	3.540	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408803523	QARROBGKYULJLT-FYJGNVAPSA-N	503.467	3.945	10	40	KHCB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC	408951058	KVHWPRQGQJPBIB-VGOFMYFVSA-N	503.305	3.642	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	104147916	WTAOXJCUOZDKMC-OCEWKHMESA-N	535.666	3.662	10	40	KHCB	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@H]3O[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1	150395325	OHPWLWOBYWTAPY-ZACQCPHYSA-N	725.791	3.537	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408883098	TXUULRTYNXDICE-ORLXONFSSA-N	504.583	3.542	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C[C@@H](N3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)C2=O)cc1	101174784	QTCNDYRAPFVGJR-ZIDOLRQYSA-N	563.657	3.777	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C(=O)NC2=S)cc1	408544460	WEFXPBNDQXFCER-UDWIEESQSA-N	501.520	3.821	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1	408762005	JBUWOFOFAHVJJS-GRSHGNNSSA-N	648.469	3.974	10	40	KHCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c([N+](=O)[O-])c1	33668930	KGARJHUZUDQTRX-UHFFFAOYSA-N	511.516	3.609	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c1	223164568	YQQPZNSPFFJTIF-IZZNHLLZSA-N	519.671	3.580	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)C(C(=O)OC)=C2C)cc1	408781254	BAMKZDNARFZLPI-GENIAPEFSA-N	520.582	3.637	10	40	KHCB	
COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)c1	902591	LBXOFJWFLDRHDL-NDEPHWFRSA-N	545.596	3.693	10	40	KHCB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1	6134417	PAMDAHURISDIRO-DEOSSOPVSA-N	552.701	3.839	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)C2=O)cc1	6574108	KFHNXNILZVSSQM-DHDCSXOGSA-N	506.296	3.537	10	40	KHCB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccccc2)c1	13646957	BFHCXKGXXXQCRW-UHFFFAOYSA-N	509.628	3.816	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408981009	HEJDBMIVJUNJKI-XQNWCSQWSA-N	584.698	3.970	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCC(=O)O	408985446	WWEJEKKQIQUYBB-ACAGNQJTSA-N	523.723	3.549	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	97947743	OHKDOQJDRAEYOV-IQJJTXKVSA-N	565.696	3.849	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC	263631873	BAFRERBUBWOTGJ-QHCPKHFHSA-N	556.482	3.635	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC	408902761	RCFUAFLUNQYQSP-CXUHLZMHSA-N	506.296	3.658	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408980613	GBKGBDSGDDPTSA-XGLZOBASSA-N	585.638	3.633	10	40	KHCB	
O=C(NC1CCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	902597	LCMCXDALQIOCLV-SANMLTNESA-N	503.534	3.815	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(C)ccc2C)cc1	10113331	LNWUMZPTZCLBSI-UHFFFAOYSA-N	507.656	3.960	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	41077874	KPEBXJMPRDAIEA-VHARHKTESA-N	507.597	3.732	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1F	41083976	JVDPEOGYOAJQSQ-LXEXHQCYSA-N	516.576	3.815	10	40	KHCB	
CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1	97964419	LRONTLYAYLZYEM-NWSLSDTJSA-N	533.031	3.981	10	40	KHCB	
Cc1c(N/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C	103109360	RBJPNQVFSZBIQN-ATVHPVEESA-N	543.321	3.508	10	40	KHCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1cc(I)cc(I)c1O	150482665	OKNYQULYBMIOLW-WUXMJOGZSA-N	657.971	3.667	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1	409071161	FISIWOJGAHERAZ-LDADJPATSA-N	527.898	3.682	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	97964771	MZRZEZOZMHNDHU-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CCC4)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108450483	HTHDUMNAOAYCPC-INIZCTEOSA-N	539.496	3.985	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1	408772076	KXLFAPXZXZCWCU-LWUPDDLQSA-N	523.630	3.792	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408896031	OYCRRJKNDUERNI-YBFXNURJSA-N	542.953	3.797	10	40	KHCB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1	409376186	VQGCVNGBSDLJJG-JAIQZWGSSA-N	580.937	3.949	10	40	KHCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778040	DFSIXFLHHADSEY-SOSVVEOHSA-N	576.719	3.970	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(OC)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101142612	BPKDILXPVPYCLA-WXFUMESZSA-N	525.513	3.567	10	40	KHCB	
COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC	409388901	XVERUWCTPVPZKL-WQRHYEAKSA-N	596.390	3.856	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(O[C@H](C)C(=O)OC)cc4)c3C)C2=O)o1	409397991	ARIRSOWHFWQQJZ-VYZAVGSRSA-N	521.526	3.507	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	19940623	PTCZUGULBJKOQD-SANMLTNESA-N	515.618	3.559	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	103856790	RCHCSBBXRWLTBG-UHFFFAOYSA-N	520.361	3.544	10	40	KHCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C1=O)n(C)c(=O)n2C	408534801	RFUXRLYIEROMCI-DTQAZKPQSA-N	569.460	3.681	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	9310916	UKMCAULVTYTNOQ-SXGWCWSVSA-N	520.323	3.982	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1	13511270	VEQRMNHBAWMHTL-HJOGWXRNSA-N	509.514	3.867	10	40	KHCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)CC3)CC2)cc1	26109231	CEPARCJYQWFLII-UHFFFAOYSA-N	526.486	3.893	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C	409265342	HRJZFTXHZDKYEG-UCQKPKSFSA-N	514.494	3.896	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC	1746952	LSQXVPKDDMJQAO-LICLKQGHSA-N	517.654	3.583	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)c1	97947622	WKCVICSWWUAUAE-MOHJPFBDSA-N	551.694	3.872	10	40	KHCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O	409249646	UYOAIUPJOBRPOW-UDWIEESQSA-N	519.514	3.551	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1	409399386	HQVAEZAIPGIXLG-ODLFYWEKSA-N	510.865	3.866	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	17223330	QPFAOPKIJWFESN-SXYCWNMWSA-N	508.537	3.646	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1	97964750	LDPUDFLMFSXGKH-STFAQDPBSA-N	539.016	3.641	10	40	KHCB	
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336563	KSCBSPABIKBXLZ-FREGXXQWSA-N	540.668	3.871	10	40	KHCB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccncc2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106021835	IDLJIICRYFXHEU-QLCOJLISSA-N	548.665	3.930	10	40	KHCB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O	408533614	KHXAHNLQGORCAU-JMSOWIFXSA-N	501.495	3.864	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408782216	FTKXZYXLFDSFOV-UQQQWYQISA-N	500.551	3.890	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1	408802249	XUWSQASFXMRVBW-CXUHLZMHSA-N	517.332	3.698	10	40	KHCB	
COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n21	409062142	OKAOTTBBYWPRQX-LMSRTUJASA-N	568.095	3.685	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	409072733	SCTCXNWFJRPOKV-UHFFFAOYSA-N	528.074	3.931	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8443364	HTAIITAAZBRIHK-JGTYQCAFSA-N	586.508	3.644	10	40	KHCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)C1=O	8819316	VYNZTZGQCIZZAD-PGMHBOJBSA-N	513.641	3.644	10	40	KHCB	
O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1cc(Br)ccc1O	100122455	LVGVLQOLESTRGK-NBCVKUGOSA-N	535.394	3.667	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409067158	BRYPQSJMBIBVNI-DEDYPNTBSA-N	584.990	3.959	10	40	KHCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	20286496	YUVXONMAEFDHMA-QNGOZBTKSA-N	507.532	3.603	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	41077782	PGDFBFKFIYWQSM-XSZXRDMNSA-N	519.004	3.809	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1	97964833	RFNUZLMNXKTFNX-BTGMWCQSSA-N	540.623	3.870	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3Cc3ccco3)CC2)cc1	1382521	NYKHQYXHARCRKX-HHHXNRCGSA-N	525.613	3.693	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	6354048	BELMCTIVVCWBDN-LYRGBEMXSA-N	586.508	3.644	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223678344	IRMFJJLCXFPGNE-KAYWLYCHSA-N	519.671	3.861	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC	408781854	CMXPOPCFUSSMKS-LICLKQGHSA-N	531.359	3.765	10	40	KHCB	
COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	409388837	XPXUCSUTJWMKAF-BKUYFWCQSA-N	566.364	3.847	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	6134007	PBKTXXREOPUWSJ-LJAQVGFWSA-N	551.651	3.882	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	6232869	LELDXXUVEAEWTH-QPHMKDBKSA-N	510.974	3.891	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19940351	HYFGHSDIFFGDQM-MHZLTWQESA-N	529.645	3.949	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC	100222162	AGWZJGYBMWFNLR-WQLSENKSSA-N	526.327	3.669	10	40	KHCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	101245171	LPFYMSFVIKBMSV-QAUTUDTGSA-N	528.997	3.755	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(C)c(C)c1	408803277	NEBDIKVEBLITIY-UHFFFAOYSA-N	520.323	3.635	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1	408984277	MIGFURGUQHFTDG-MKWGYRPRSA-N	541.629	3.904	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409110985	ZVMZFTVFHZJKIB-SUUDBTLLSA-N	578.694	3.781	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409380134	IUVYRHMUMLYCEP-UYRXBGFRSA-N	519.485	3.614	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccc(Br)cc1	97964459	YJLLGSODEXRVHE-WUVMMTAUSA-N	549.428	3.658	10	40	KHCB	
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1	409224106	KKCNDQMPHYCNEA-DEDYPNTBSA-N	520.885	3.932	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20060862	JTROCOXITMISKK-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S	97947606	ZTORXNMRWGJAAE-QJOMJCCJSA-N	598.728	3.626	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	164375216	VDGLGRIBZCDDED-VGOFMYFVSA-N	617.165	3.801	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-]	408744094	YQVTWSKGPLRVJO-LFYBBSHMSA-N	588.177	3.802	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408870790	URXYRHYZAHFQTF-KOEQRZSOSA-N	587.629	3.775	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1	409082958	UIHCQVTUMFIQIN-LDADJPATSA-N	504.411	3.970	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409271092	IYZWMTOAJBJUIS-VOZFUJEASA-N	561.689	3.707	10	40	KHCB	
CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	6077041	CNMIIAAYHPTHSU-RCZVLFRGSA-N	564.712	3.697	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(CCN(C)C(=O)c4ccccc4)cc4c(c3OC)OCO4)C2=O)cc1	70672053	ZYTFOSBCARTDRS-ULJHMMPZSA-N	571.586	3.804	10	40	KHCB	biogenic
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Br)cc1	101393903	ZGPASLBTVOAFIY-WUVMMTAUSA-N	549.428	3.658	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	103858831	XTFCFGJXVJYGMY-OVCLIPMQSA-N	582.201	3.829	10	40	KHCB	
COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1	408541250	FOWSQUPTTOBQKT-WSDLNYQXSA-N	523.501	3.871	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6135883	RTLCTFACRUYZOZ-VWLOTQADSA-N	560.655	3.729	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)OC)c(Br)c3)C2=O)cc1	408981681	CJTBFXRVVJNVOR-NVNXTCNLSA-N	521.751	3.883	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	409010002	IZRRHEXAYOPQRU-BUVRLJJBSA-N	506.580	3.939	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	18249504	SEINZSSVZMCFNK-VJBWXMMDSA-N	512.474	3.607	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	19707473	KYTOKIZJVQHXIY-JWGURIENSA-N	519.696	3.935	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccccc1	97964827	RHLCDSBWDQCHOB-MPZQNCSBSA-N	526.596	3.562	10	40	KHCB	
CCn1c(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408631103	BZOPTKQLKMTGOW-WSDLNYQXSA-N	541.586	3.945	10	40	KHCB	
O=C1NC(=O)C(=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N1	409091856	SQYLZZZTXXZDEI-UHFFFAOYSA-N	556.079	3.570	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1	41085239	PSPNERMIVMZJLO-OEMPCWLZSA-N	512.613	3.792	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	97964485	AXYVYJJZKBIDFP-WFFRMWFSSA-N	540.623	3.833	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	100211233	VRLWVRGKYFFQBY-MFOYZWKCSA-N	531.359	3.683	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccccc1N1CCOCC1	100365139	NAEXRDPJSJFPNP-OEAKJJBVSA-N	577.571	3.855	10	40	KHCB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O	408527948	AKNIQINIRSCFBB-XJVXGAODSA-N	526.181	3.787	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551708	MDDZVEGDEZQZDK-UHFFFAOYSA-N	606.225	3.538	10	40	KHCB	
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O	100859943	FDHJNUYJOBIUJB-MKGKRERUSA-N	540.022	3.846	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccccc1	101396276	CRDPDSLISWKRCN-MPZQNCSBSA-N	526.596	3.562	10	40	KHCB	
CCC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl	102795265	JCDCIZUEKPGDHF-VCUISZMASA-N	557.930	3.676	10	40	KHCB	
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)cc2c1	108451067	AWDDWCMSVGWKLQ-AWEZNQCLSA-N	529.457	3.574	10	40	KHCB	biogenic
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	408531314	NSSVOMXSDMGZPX-JXAWBTAJSA-N	539.434	3.503	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1cc(C)cc(C)c1	408894813	JAMPMFCGPLZZQY-UHFFFAOYSA-N	536.391	3.800	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	6135893	FFTYYGBXLCMWSP-DEOSSOPVSA-N	546.628	3.734	10	40	KHCB	
CCN1C(=O)/C(=c2\s/c(=C\C=C3\Sc4ccc([N+](=O)[O-])cc4N3C)c(=O)n2-c2ccccc2)SC1=S	6512453	LXUBCRQKBKANRD-VSQGALCISA-N	554.700	3.660	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223164704	DCOOCWNBMJVLFM-CLJLJLNGSA-N	519.671	3.580	10	40	KHCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3O)C2=O)c(OC)cc1Cl	408783237	MUCZPDVZODTLJY-ONNFQVAWSA-N	654.582	3.938	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(Cl)c3)C2=O)cc1	409375837	PUIGBYLQHZDOKI-UYRXBGFRSA-N	563.950	3.819	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)C(=O)NC2=S)c1	852825	IVXPTCUQGHWBNL-CXUHLZMHSA-N	552.390	3.929	10	40	KHCB	
COc1cccc([C@@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccc3c(c2)OCO3)c1O	2746961	SDBIPABLIKRLEU-OAQYLSRUSA-N	559.316	3.646	10	40	KHCB	
CCc1cccc2c(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCCC3)c12	8777636	IGPMGACUDKTMKA-IMRQLAEWSA-N	576.719	3.754	10	40	KHCB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777988	UJMPXOGECPZMJP-VTLAGZLESA-N	576.719	3.969	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	8858609	XWTIQIBHACHKLR-SLOMDMAXSA-N	522.652	3.738	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	41083860	CQEUGTGMRYBSFK-WUVMMTAUSA-N	506.009	3.768	10	40	KHCB	
Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(Cc6ccccc6)SC5=NC4=O)cc3)nc2s1	97964310	YUZQCABDZKTPQD-RJVJCQRNSA-N	541.618	3.900	10	40	KHCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCO)C[C@H](O)Cn3c4ccccc4c4ccccc43)ccc21	102416271	MLCNDDCJZHMZJU-FQEVSTJZSA-N	554.624	3.614	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	104304075	QPFAOPKIJWFESN-LTSGFECQSA-N	508.537	3.646	10	40	KHCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)c1C	408532809	RCWVUBDENROEFY-SAPNQHFASA-N	581.471	3.825	10	40	KHCB	
Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408689534	SCDGDNDEAYSJCL-ONTIZHBOSA-N	525.399	3.802	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408951093	LBNNHOMFCHHLNN-QGMBQPNBSA-N	659.364	3.852	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409088821	HGMHMQAXWKIWQB-WOJGMQOQSA-N	562.447	3.757	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1C	97964449	PDIWOUJWUSXWGQ-UIBINATQSA-N	542.639	3.863	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCC(=O)OC	409177687	GGRIXJBMDQMRGY-GZTJUZNOSA-N	598.440	3.788	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(Sc3nnc(COc4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N1	103767254	ANNJVUMCQJBGHT-UHFFFAOYSA-N	542.533	3.655	10	40	KHCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	205813005	VVUYDZBAQXHKHL-SRZZPIQSSA-N	542.570	3.668	10	40	KHCB	
O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl	409266258	QDJNAXLDLMTPPE-PDGQHHTCSA-N	520.885	3.932	10	40	KHCB	
Cc1c([C@H]2C(=O)c3cc(O)c(O)c(Cc4ccccc4)c3C(=O)[C@@H]2C)c(O)c2c(c1O)=C(Cc1ccccc1)C(=O)C(=O)C=2	1560403751	OTPQYBGJCDPNKT-CRYYWNKWSA-N	588.612	3.533	10	40	KHCB	
COc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	4091173	XHZJVTAXFNBTMO-FSSWDIPSSA-N	579.346	3.995	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cccc(C)c2C)cc1	13669774	VICOKKCDBIYWQV-UHFFFAOYSA-N	507.656	3.960	10	40	KHCB	
Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	6134648	HDJWECHCIFXLOQ-UHFFFAOYSA-N	524.668	3.977	10	40	KHCB	
Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	34105914	LFNIPDCBARDEGD-BKUYFWCQSA-N	519.514	3.934	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1OC	100085312	KRPAJSQNEITZRX-UHFFFAOYSA-N	560.072	3.706	10	40	KHCB	
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336566	KSCBSPABIKBXLZ-VIZCGCQYSA-N	540.668	3.871	10	40	KHCB	
N=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101036531	JUIZTIUGPMHXGM-ZXLLOHKYSA-N	530.585	3.697	10	40	KHCB	
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccc(Cl)cc1	409222291	CBFCMZXAJKYTOH-MTJSOVHGSA-N	520.885	3.932	10	40	KHCB	
COc1cc([C@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O	604405449	SXZZXCRSTVDRPZ-ZEQRLZLVSA-N	535.641	3.909	10	40	KHCB	biogenic
CC[C@@H](C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)OC	1565524367	KRJNWOXNCNWARZ-NREPNLDQSA-N	502.615	3.882	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100839291	WSDMGVFCIGSGSY-XLNRJJMWSA-N	535.695	3.949	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)SC1=S)Nc1ccc(C(=O)O)c(O)c1	150415197	HDNROGCWWVRFQK-QURGRASLSA-N	704.786	3.564	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223678245	IRMFJJLCXFPGNE-SXOMAYOGSA-N	519.671	3.861	10	40	KHCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)C1	224886974	OMLPPGPBUCNXCD-HXUWFJFHSA-N	501.649	3.557	10	40	KHCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br	408853930	SXHAFDLIHQFAPM-VIZOYTHASA-N	521.751	3.938	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1	409377824	LDIRPOXAVDYUHC-ZHZULCJRSA-N	563.950	3.819	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59881596	MKRYVBKUFZZZCN-UHFFFAOYSA-N	539.654	3.565	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	59887108	BDPVENQSMVYFMX-UHFFFAOYSA-N	530.046	3.901	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	97947297	HCLNUKPISMOUCQ-JWGURIENSA-N	553.685	3.706	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br	100215957	JIAZBVVUDPVDCP-WUXMJOGZSA-N	540.189	3.506	10	40	KHCB	
CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408694484	ILFFGIPYEPCUOM-KMHUVPDISA-N	512.344	3.882	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1	409069925	JYPYUWSTLCKIBB-XSFVSMFZSA-N	585.388	3.670	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O	4091227	IZPDMSVRORGIJJ-NJYVYQBISA-N	502.866	3.943	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC	8819458	JJBCSQYDBSTSFT-ODLFYWEKSA-N	503.558	3.938	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	97947288	NESDNGVFZCQSIT-QNGOZBTKSA-N	567.668	3.535	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c1	408529056	BXMNZCXKOYXHLQ-CAAGMPDOSA-N	543.488	3.897	10	40	KHCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)NC1=S	409167849	OFYGYFMGWGQEFZ-LDADJPATSA-N	506.540	3.851	10	40	KHCB	
O[C]1[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2	1560403789	CPLPGOVIPUVZSC-HPDAOXAKSA-N	577.518	3.539	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC(C)C)nc4ccccn4c3=O)SC2=S)cc1OC	2328558	LGOOWLUKJYVZOS-ZHZULCJRSA-N	510.641	3.976	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I	164451661	CNIPWIGZRRKPPK-LFYBBSHMSA-N	650.017	3.946	10	40	KHCB	
COC(=O)COc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cccc1OC	408526906	CTGMYIXISQZOTE-LICLKQGHSA-N	506.989	3.755	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc(Br)cc1	408732564	WYPWUDZVGHVRQV-FBHQFGEZSA-N	526.456	3.736	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)c2C)c1	408965887	JISSCKVKJSJKAJ-IMRQLAEWSA-N	571.634	3.639	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	409371233	BRELJDRXAVTHCD-GIJQJNRQSA-N	572.343	3.869	10	40	KHCB	
COCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	100838488	GXKOJOOPSLPPSH-PGMHBOJBSA-N	540.667	3.604	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409054237	IHIGRHBEVLUFAB-CYGYJLBOSA-N	611.720	3.789	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)OC21C(=O)c2ccccc2C1=O	101482346	SEINZSSVZMCFNK-DNVJHFABSA-N	512.474	3.607	10	40	KHCB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	3377960	ZKMYSEDWIQEEFX-XZXOBPBMSA-N	560.028	3.780	10	40	KHCB	
O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1	6475223	YSWNJOQZFBLOPQ-UVMMSNCQSA-N	605.699	3.886	10	40	KHCB	
COc1cc(OC)c([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC	108450574	IQGJGBPGVNLZCH-CYBMUJFWSA-N	522.462	3.749	10	40	KHCB	biogenic
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)NCCCOC)c12	409133476	LYGOLHVCXICHMI-IAFWPLRWSA-N	501.674	3.737	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC(=O)OC	408777287	XUCUWXKEOOBHGE-RQZCQDPDSA-N	578.359	3.525	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408883711	UKUAIARMRXGFNE-HZHRSRAPSA-N	536.562	3.836	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1	408968091	WITKFKZRMUTPDX-UCQKPKSFSA-N	504.518	3.941	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409049134	UXTVPEWNFDJVFJ-VXLYETTFSA-N	642.362	3.892	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409081692	QDLNHMVKVSJZTH-ZJTZAHLKSA-N	700.612	3.628	10	40	KHCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCC(N)=O)C1=O	409268184	RFZOYRAJVXGITR-WLRTZDKTSA-N	571.609	3.704	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409375532	MFOLUSWQJDIHHJ-HYARGMPZSA-N	533.512	3.917	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3Cc3ccco3)CC2)cc1	1381881	HCTKDLXNFFBNQG-HHHXNRCGSA-N	525.613	3.693	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1	408532899	MXWSXIYWTJTWMS-STZFKDTASA-N	526.958	3.728	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(Cl)c3)C(=O)N=C2S1	97964780	PJEALGDDKPCCEX-OBBQEJRPSA-N	532.987	3.659	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223693727	FEXMUCFONUJREO-ZEQRLZLVSA-N	509.588	3.942	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029510	BFRRZIBXZOWECV-PEPUGYCWSA-N	687.771	3.943	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	2246993	IEBXMNYHZHSMGC-HKWRFOASSA-N	509.632	3.690	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1Cl	20205843	OBMSIAVHOQELJO-GQFJHEMJSA-N	504.977	3.549	10	40	KHCB	
O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S	102684182	KNNFZTFAXPYTRS-CJLVFECKSA-N	568.702	4.000	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	145554213	LXVPVFCJTDRKGZ-HMXFMCBNSA-N	569.683	3.797	10	40	KHCB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccccc3O2)cc1	225766453	LBLGONMFVSMHPD-AREMUKBSSA-N	509.628	3.814	10	40	KHCB	
COc1cc(I)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	408723264	SKFRLSYOYAYZJZ-NTUHNPAUSA-N	528.755	3.793	10	40	KHCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1	2338674	NEUUVLPONBCYEE-IGCAKMCNSA-N	505.669	3.717	10	40	KHCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1	9236782	KMDOHDNBRCFCGG-HLUGXMBVSA-N	504.616	3.579	10	40	KHCB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)c1cnccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	100293211	MQMJFPLLQSDYJN-MUUNZHRXSA-N	593.706	3.899	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)C[C@H](C)O1	100900612	BLXRCFOVPGNACL-WWNXGUCMSA-N	598.728	3.623	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409056869	OVZVUMGHFYIREH-NTWBUQQASA-N	530.694	3.773	10	40	KHCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1	409207260	UYIBIENBUSYPGP-HZHRSRAPSA-N	561.572	3.728	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1	15936780	QPAMIRIOUJCVGZ-UHFFFAOYSA-N	510.616	3.706	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	100262590	NRNAUNILJRBQMG-JBDHCHCMSA-N	601.681	3.921	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	103851265	BBYUWOUWSSWIJI-UXBLZVDNSA-N	607.186	3.908	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)CC2)cc1	408714778	NWRQGHYLJISQND-VWLOTQADSA-N	528.030	3.654	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC	409062644	YHQUULOCFHITPU-INZJWMLVSA-N	517.651	3.797	10	40	KHCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O	409240330	GRENTJMQSRJYPX-BUVRLJJBSA-N	500.555	3.975	10	40	KHCB	
CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1	1279827	BZAWXJHUGXNENJ-UHFFFAOYSA-N	536.503	3.596	10	40	KHCB	biogenic
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1	97964822	IOBXAHKKFNBZLK-VZKFJVGXSA-N	542.639	3.800	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	141595836	KYTVPDJFEYKJSV-NJGZBDCRSA-N	581.694	3.781	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	409043728	ADVCQFTXSVGGAX-UHFFFAOYSA-N	514.170	3.844	10	40	KHCB	
Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c(C)c1	409252726	SKYGWFMJBFLNOW-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OC(C)=O	58865808	FTCGCIFISLHUFH-UHFFFAOYSA-N	500.285	3.759	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)CC1	97947663	ZEGBYANKKFZLLX-QOCHGBHMSA-N	563.705	3.807	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1	97964732	OZRTVRAUOUQICM-XEOLNKMWSA-N	547.014	3.969	10	40	KHCB	
COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C	108422679	QWCBZAYHCZKWNU-NVNXTCNLSA-N	529.210	3.674	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223189330	VAXBQIVUOHKMLB-RRPNLBNLSA-N	519.671	3.913	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1I	408852227	DVGFHBMQDNHXQY-GZTJUZNOSA-N	608.385	3.697	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1cc(C)cc(C)c1	408878254	YYWSJQKABAODEB-UHFFFAOYSA-N	504.324	3.647	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccccc1OC	409098802	QKZYDJFEPVICJV-XIJDOWMKSA-N	532.710	3.958	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409346881	OQDSTMJVLMMJBR-WOJGMQOQSA-N	628.466	3.797	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	1260320	XDAZRQCRZULSGP-CYVLTUHYSA-N	512.060	3.896	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	1464561	CNLGHFTWBXQFRL-SAGAUJLNSA-N	505.669	3.717	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(OC)cc4)c(Cl)c3)C(=O)N=C2S1	97964785	WAAAWEJOEPIPMG-ISFIWZGBSA-N	532.987	3.579	10	40	KHCB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1-c1ccccc1	97994434	TUKFOCMIFFTNLB-LQJPZNDESA-N	568.680	3.714	10	40	KHCB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2)cc1	408675405	YCHDJFSCQUMQKY-UHFFFAOYSA-N	539.654	3.931	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC	408806104	AHDUCSDOJHNHBV-MHWRWJLKSA-N	536.322	3.764	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccccc1	408833927	XDKIUKCVPQMGAR-GTWFGUSFSA-N	541.629	3.904	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC	2185622	VGDZDZHGNFJTER-MKWGYRPRSA-N	535.666	3.662	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1	6135961	GBWCONQHIUWMJA-HFZDXXHNSA-N	572.691	3.727	10	40	KHCB	
Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)S(C)(=O)=O)c1	223610498	NCBNRRGLYMPFGR-UHFFFAOYSA-N	520.699	3.951	10	40	KHCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1	408852196	DCGDUGNWJXXAKU-LPYMAVHISA-N	517.563	3.884	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc12	408886632	HSLVXNAFPDWALI-UHFFFAOYSA-N	511.353	3.744	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1	409193068	AYZJKXLBKCGNEL-UHFFFAOYSA-N	520.323	3.621	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)C1=O	16162421	OOGUBWGHDHVVGJ-NTEUORMPSA-N	506.296	3.537	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1[N+](=O)[O-]	101396930	FVOLPZAUDPCREG-MEOLDJOHSA-N	543.583	3.582	10	40	KHCB	
COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N\c2ccc(I)cc2)C1=O	104219252	HAOZYUBBFVNVND-OAFDPHIXSA-N	519.299	3.526	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409185579	MUXVQCDFUWHLKJ-ONUIUJJFSA-N	557.603	3.767	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)cc1	13590146	FUAMBEDWPHCSAE-HJOGWXRNSA-N	509.514	3.867	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1F	20207276	RGVODKJKYOZFPU-JTPDXPAISA-N	516.576	3.813	10	40	KHCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	20207433	DVFDPDJCUFUAAI-OOEDSJJISA-N	513.557	3.574	10	40	KHCB	
COc1c(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70680861	NSJRFIRRJUPOHH-JWGURIENSA-N	533.581	3.533	10	40	KHCB	biogenic
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)cc1C	408851704	MWLVICHAUOFUQG-AWNIVKPZSA-N	588.139	3.885	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OC(C)C	409374813	ZYIFBYJZYVGGED-OVCLIPMQSA-N	524.311	3.732	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccco3)C2=O)c1	408532636	IQVUAWLGXHSPAC-BOPFTXTBSA-N	511.284	3.936	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	408769327	RAUUHYROZACCPQ-VCHYOVAHSA-N	500.935	3.964	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408983990	LOBKVRKIUQXXQE-XIHDXPBISA-N	601.681	3.952	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409270909	RXFUTMJSHIVWOJ-QJOMJCCJSA-N	512.653	3.767	10	40	KHCB	
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972003	QMSCOIHAHZFVQO-INIZCTEOSA-N	575.526	3.544	10	40	KHCB	biogenic
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	100203021	GNFJXSXYPAHRGO-MFOYZWKCSA-N	531.359	3.683	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	409075370	XOKFRSNNEGSSAW-XMHGGMMESA-N	527.352	3.883	10	40	KHCB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409081071	GDNVYDRUMWHEFK-UXCHMGEPSA-N	624.723	3.543	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	409192300	AQHDZCGTWCNPOS-VXLYETTFSA-N	523.954	3.975	10	40	KHCB	
CN(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[C@H]2CCS(=O)(=O)C2)cc1	526052290	ROSIUWIQFBQUAQ-FQEVSTJZSA-N	581.510	3.770	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(C)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18249817	IIMWVQCRKUTPNA-SGNDLWITSA-N	509.514	3.867	10	40	KHCB	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1	97947693	FUGOTFCAGCFBLA-RNLRLKOUSA-N	577.732	3.718	10	40	KHCB	
Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408689537	SCDGDNDEAYSJCL-SJBKTWHCSA-N	525.399	3.802	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC	408812305	MOXWZWSWRYWJOR-OQLLNIDSSA-N	520.323	3.982	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408861891	FCDWYYUHHXLQNY-GTENMVSRSA-N	595.313	3.982	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1	409052942	FMESAFCKRBRLDH-QPJBPQEWSA-N	545.661	3.907	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1	409382404	LSOFVDOKYPTGLM-RCCKNPSSSA-N	503.486	3.908	10	40	KHCB	
CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cc1	32914597	BFNYHGROLTWNBK-OAHLLOKOSA-N	512.544	3.941	10	40	KHCB	
COc1ccc(N2CCN(CCCNC(=O)CCCn3c(S)nc4ccc(Br)cc4c3=O)CC2)cc1	33357832	OUADHFXGFHMJLQ-UHFFFAOYSA-N	574.545	3.565	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	100618566	ZFRPOQVOBHDWMQ-MFUBYVTQSA-N	586.508	3.644	10	40	KHCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)S2)C[C@H](C)O1	100894499	VCVLUHHNFKQZQR-RVPYRKDQSA-N	551.694	3.869	10	40	KHCB	
O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)cc1	409264001	JZNAAZPBOIYLCD-UHFFFAOYSA-N	557.582	3.632	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC(C)C	409409143	SYLNSGRNFNWQIW-YVLHZVERSA-N	503.349	3.640	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)cc1	6410091	BUHRPTCZRZFZOO-MUUNZHRXSA-N	539.615	3.931	10	40	KHCB	
Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)ccc1Cl	20205928	VKPPQVPUEVGAKM-XKVLWOBQSA-N	519.004	3.727	10	40	KHCB	
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972099	ORCKOQPGDOWFAC-AWEZNQCLSA-N	554.504	3.709	10	40	KHCB	biogenic
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	164462012	WMKPQBRTHNPBEZ-OVCLIPMQSA-N	629.201	3.671	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409372463	DRHVVRBUCGYVDY-YBFXNURJSA-N	615.380	3.962	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	409380945	CIOBTDBEJJDAIY-UYRXBGFRSA-N	566.364	3.847	10	40	KHCB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	6443957	GWQOJOCVJDQTKZ-QHCPKHFHSA-N	520.659	3.646	10	40	KHCB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	41077751	GIVGANKUGDMDLD-OEMPCWLZSA-N	512.613	3.636	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1	101396937	QKDLPVBRMBJMQF-UTQUROFUSA-N	543.583	3.582	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1	408761833	HWHLAIYABDBKKI-SDQBBNPISA-N	512.179	3.757	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(N)=O	409222168	BYNYSZKCCMIRLP-CIAFOILYSA-N	549.967	3.848	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OCC	100644816	OJAVUNHGQVRDBG-PXNMLYILSA-N	523.767	3.905	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccc(C)c1	101396281	IHGNEDGPYDERTJ-BTGMWCQSSA-N	540.623	3.870	10	40	KHCB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1	409033685	OSXIGXRECVTNPB-SJJVXOANSA-N	541.629	3.904	10	40	KHCB	
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)c(Cl)cc1Cl	103099436	XXDPZVPLAMLILI-UHFFFAOYSA-N	567.790	3.865	10	40	KHCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1Cl	409270647	HVYLBVSPGHJSPZ-JAIQZWGSSA-N	532.962	3.768	10	40	KHCB	
COc1cc([C@@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O	604405447	SXZZXCRSTVDRPZ-DNQXCXABSA-N	535.641	3.909	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	145554586	LXVPVFCJTDRKGZ-NLTKXKDSSA-N	569.683	3.797	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC	408757907	DPFNMDFTDIJKOH-YBEGLDIGSA-N	552.390	3.929	10	40	KHCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409184334	KMDASOVMIPFPTI-LICLKQGHSA-N	520.369	3.922	10	40	KHCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(N)=O	409224650	MZKOKDYQJFITRS-UHFFFAOYSA-N	597.365	3.747	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409384084	ACFJHAUASFCQJL-OQLLNIDSSA-N	583.222	3.660	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	6135983	JIKUCHRKFSWOHE-XMMPIXPASA-N	528.638	3.595	10	40	KHCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	9259801	DMRBYSULSNCHDL-SRZZPIQSSA-N	510.462	3.993	10	40	KHCB	
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1	13143623	AGXWQFWCNAMZEJ-KRWDZBQOSA-N	510.591	3.520	10	40	KHCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N(CC)CC)n(C)c(=O)n3C)C1=O	408526362	BEBQXSYNQVVJMM-SAPNQHFASA-N	569.460	3.627	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408883096	TXUULRTYNXDICE-OENGVYFNSA-N	504.583	3.542	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	408886412	GXGCDWFNCOKKRF-YBFXNURJSA-N	634.404	3.748	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408910678	LHBWRGRPOLBMBQ-OVCLIPMQSA-N	520.361	3.592	10	40	KHCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(Br)cc1F	409136816	VTEZGNKNUJDNRC-VXLYETTFSA-N	522.396	3.891	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409190365	XRLFEJKKTDTOCU-UHFFFAOYSA-N	521.367	3.752	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N21	20207140	TXRYHQDNVBZCCM-DNKKMOLGSA-N	514.560	3.692	10	40	KHCB	
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccc(F)cc2)N=C1C	33468007	BZFWVWAHONAFHC-AERNQAQFSA-N	524.643	3.739	10	40	KHCB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	57317153	YGALYBGDLUDQPY-ONNFQVAWSA-N	521.618	3.778	10	40	KHCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1	59489939	PUFOSGALUQDNAE-UHFFFAOYSA-N	522.514	3.973	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1	97964721	AYAKNYKLZBRMPD-NKFJNAIASA-N	537.623	3.740	10	40	KHCB	
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)n(C)c2c1	97972066	QGXMDEWVTJXPPK-INIZCTEOSA-N	527.485	3.878	10	40	KHCB	biogenic
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2C)OC32C(=O)c3ccccc3C2=O)cc1	101099855	KSBGNRVXQHVCLN-WXFUMESZSA-N	509.514	3.867	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccccc1	101396381	GGBLXQNWKBAVPQ-LCQIMXFNSA-N	528.612	3.553	10	40	KHCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	103858631	JNIHQLPFGLHNSM-LFYBBSHMSA-N	514.115	3.886	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223694678	LYCHNWJQPGUEOO-DNQXCXABSA-N	509.588	3.942	10	40	KHCB	
CCn1c(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408635109	YWGDGXGOBWDVRW-YDZHTSKRSA-N	554.629	3.860	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409086569	FGIWIXCFTKPLMY-WQRHYEAKSA-N	519.382	3.870	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OC(=O)c1ccccc1	101396878	GOSLLLWNLSZQJH-NWSLSDTJSA-N	526.596	3.704	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1O	408780351	XRONOLSFTXCJJU-OVCLIPMQSA-N	506.296	3.679	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408863489	MZDYWDQGTGNHJZ-OXRZLYTFSA-N	642.313	3.824	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1	408889811	JHQSUJICNDSKJJ-XQNSMLJCSA-N	506.536	3.828	10	40	KHCB	
O=C(COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1)N1CCOCC1	409020414	PAJSXBACOUJXAC-UHFFFAOYSA-N	511.534	3.508	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)C2=O)cc1	409382680	NJZKYUBIJLEYHM-LFVJCYFKSA-N	515.522	3.778	10	40	KHCB	
O=C1/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	13617463	VDLXBZBOYUJWDC-HKWRFOASSA-N	502.625	3.795	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	100870224	NCEYMEQPGDMHSZ-NMWGTECJSA-N	549.722	3.957	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	101090267	VROIPKQYUBIXON-WOJGMQOQSA-N	534.437	3.979	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223146021	BVCKESPAXATLPL-CLJLJLNGSA-N	505.644	3.523	10	40	KHCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408852315	SJAYHYDPNHAQQL-RQZCQDPDSA-N	518.394	3.690	10	40	KHCB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n21	409058604	TYVMQLHHHIVDCB-LMSRTUJASA-N	612.546	3.795	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	2049427	NPRGGSHQANOTBO-QPJBPQEWSA-N	565.692	3.757	10	40	KHCB	
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(I)cc(I)c1O	100281617	RSCMRNLZYIRLPG-XGICHPGQSA-N	566.520	3.716	10	40	KHCB	
CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2O)N[C@]3(Cc2c[nH]c3ccccc23)C(=O)O)cc1	102781317	QLGRXBMXJQLIQF-JALVRWGXSA-N	509.562	3.952	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S	408742176	PZEMELGOVUGGEE-YRNVUSSQSA-N	517.142	3.786	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1C	408847072	MEMJWRAIKHVMCV-MKMNVTDBSA-N	507.724	3.849	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O	408858544	SXIPIZMTPHGDMX-WOJGMQOQSA-N	501.333	3.674	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(Cc4ccc(OC)cc4)C(C)=C3C(=O)OC)o2)cc1	409014153	PCRVNVSHOHCMEI-WGOQTCKBSA-N	601.612	3.593	10	40	KHCB	
Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1	100763071	CWUJCVPCARKCPL-QRVIBDJDSA-N	563.705	3.663	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccc(C)cc1	101393736	GTYVRRUFNDRIMG-WPTKKBASSA-N	530.653	3.796	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408536219	QJNOICYARSTUTK-DEDYPNTBSA-N	501.451	3.797	10	40	KHCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409010148	JTTXEPZUIHRNPI-BUVRLJJBSA-N	529.549	3.729	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c([N+](=O)[O-])c1	409193536	FZCOGTHDANCTNZ-YBFXNURJSA-N	520.523	3.540	10	40	KHCB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1	13675692	BDJHKGJYGKNSER-UHFFFAOYSA-N	500.020	3.688	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408692163	FXPNWYJSERADQN-VCHYOVAHSA-N	590.370	3.981	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1	409043619	SEGVYHBMSSZWBQ-NTUHNPAUSA-N	538.148	3.673	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(I)c(OCc2ccccc2F)c(I)c1	409078962	JPVKWHZLIQCNKD-UHFFFAOYSA-N	608.170	3.528	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)C2=O)cc1	409266901	SAWHSJMCKVPGJT-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C2=O)c1	409385839	NFLGMRLABLZLIM-YBFXNURJSA-N	506.467	3.631	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	19826346	SWZHRORCYOTPSN-MUUNZHRXSA-N	521.625	3.792	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	100870532	TVNNQPIHKDVTGK-RGNNIMSVSA-N	547.706	3.710	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)O	408758652	ONFKUCNBCYHBDB-VGOFMYFVSA-N	629.201	3.891	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1O	408764868	TZCXBQVULRWNRK-WUXMJOGZSA-N	510.138	3.901	10	40	KHCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12	408947907	DNEZJRNFGPCMKE-SRZZPIQSSA-N	509.474	3.783	10	40	KHCB	
COc1ccc2c3c(n(CCCC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c(=O)c2c1OC)-c1ccccc1C3=O	604404767	KGAVPMXEDLQPBL-UXHICEINSA-N	565.626	3.818	10	40	KHCB	biogenic
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1	12480866	LDWBCMOCSJBFTC-OUTSHDOLSA-N	526.641	3.875	10	40	KHCB	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1	100762055	KBSGVGTYVCVDAO-RRDPUDRWSA-N	561.733	3.705	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408536553	RYYDWRLRMPULRK-HMMYKYKNSA-N	516.506	3.988	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccccc4)C(C)=C3C(=O)OC)o2)cc1	408874625	CSGOWHRULQYEJI-LFVJCYFKSA-N	557.559	3.588	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408983992	LOBKVRKIUQXXQE-ZTJHJZSNSA-N	601.681	3.952	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408990866	WWQSGBCIJZGJCC-PIXWUVMMSA-N	599.665	3.721	10	40	KHCB	
O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96222680	ITEXFJXSZWKXLJ-ZDUSSCGKSA-N	500.415	3.830	10	40	KHCB	biogenic
CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1cccc2ccccc12	104124298	UWHNBRYJJPMEET-SUBUMVGWSA-N	509.588	3.684	10	40	KHCB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409088069	DYNVVQCJAAVMIB-CVXGXVHTSA-N	611.680	3.627	10	40	KHCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(I)c1	409398393	AIFUDUPWIYANGS-YBEGLDIGSA-N	528.262	3.848	10	40	KHCB	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)c2NCCO	9375582	YVGJMOXJYKEJRF-UHFFFAOYSA-N	523.511	3.847	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1	12480885	WXMNOLHALBOSGP-RBISFHTESA-N	530.604	3.706	10	40	KHCB	
COC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC	59135258	YQOSJLADBYTBON-VGOFMYFVSA-N	507.268	3.655	10	40	KHCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	112232268	HXYQKAOTWYMWEN-HAHDFKILSA-N	540.989	3.583	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	408816323	YGMUVJHXZFKBGB-FYJGNVAPSA-N	503.467	3.857	10	40	KHCB	
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	408893519	AWTOUACTCBVDAC-NTUHNPAUSA-N	510.138	3.895	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409067414	YAFYVRYJFSXNEK-UHFFFAOYSA-N	507.656	3.852	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1	409259395	ZFHMQGXTFYHRTJ-RGEXLXHISA-N	533.924	3.811	10	40	KHCB	
O=C(C[C@@H]1SC(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccccc2)=NC1=O)N[C@H](Cc1ccccc1)C(=O)O	252498802	RLNLCKHJWXUTPU-SDHSZQHLSA-N	542.617	3.744	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409066927	DMYXERHKSGNFQJ-WOJGMQOQSA-N	622.368	3.873	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408785407	YUINXTIFGOIXNP-ORLXONFSSA-N	504.583	3.855	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OCC	408881287	KPOVUIVMZOUQLJ-LCYFTJDESA-N	524.286	3.894	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)O	409046313	JZIZWNQNXYVPRA-NTUHNPAUSA-N	584.750	3.782	10	40	KHCB	
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1[nH]cc(C(=O)OCc3ccccc3)c1-2	1775963647	MLPQCOLPRPRADV-UHFFFAOYSA-N	552.948	3.896	10	40	KHCB	
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1	6135894	KCHMHYZEDILPKD-VWLOTQADSA-N	558.664	3.603	10	40	KHCB	
COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96114812	UTCYJTGDYPRRRW-CQSZACIVSA-N	516.462	3.626	10	40	KHCB	biogenic
Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Br)cc1	97964467	QEVTTYQBJOEJHZ-WUVMMTAUSA-N	533.429	3.958	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1	409263341	MFLILXCGZAWHOH-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N[C@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1	102781312	QLGRXBMXJQLIQF-PYOQLBSMSA-N	509.562	3.952	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(=O)c1ccccc1F	408557268	GDVCRKZUOUFUGU-UHFFFAOYSA-N	513.591	3.996	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1	409384205	AZSMCPXKDXBDEZ-CPNJWEJPSA-N	519.485	3.527	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(OC)c(OC)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1	6136645	JADHZGVVVHISPG-HHHXNRCGSA-N	545.644	3.567	10	40	KHCB	
COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC	12591957	OTXLYMCGOFCXND-DHZHZOJOSA-N	501.491	3.683	10	40	KHCB	
COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21	96115558	WLQICVWKRXDENB-HNNXBMFYSA-N	504.447	3.570	10	40	KHCB	biogenic
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccncc2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106021840	IDLJIICRYFXHEU-KKVCJECGSA-N	548.665	3.930	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408694890	NRIKSPKRJNCDNU-WOJGMQOQSA-N	542.386	3.880	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1	8970570	GBTIDBNJHMJRCZ-CYVLTUHYSA-N	512.657	3.618	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC[C@H](O)c3ccccc3)nc12	9345603	RVOVFVNHDQGRQF-UJIAUOKBSA-N	522.652	3.529	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	100189895	JKFZZNOEXFQAJO-SJJVXOANSA-N	535.666	3.662	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O	408769231	POXMZCGPOYNDGD-NTUHNPAUSA-N	512.687	3.715	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409251588	PUQPJHLGGBTCQK-UUYOSTAYSA-N	544.520	3.904	10	40	KHCB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(O)c(OC)c1	103538146	VEWYRZXXOBJPRJ-UHFFFAOYSA-N	556.059	3.957	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	103852822	QLAMWXHUDQTOOB-NTEUORMPSA-N	551.390	3.760	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029508	BFRRZIBXZOWECV-NXYYLBPMSA-N	687.771	3.943	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCCO2	2637228	YAKBLCDCYKGHCI-UHFFFAOYSA-N	533.002	3.565	10	40	KHCB	
O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(/N=N/c3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1	82152301	KNJPCISTPVNOQS-CYYJNZCTSA-N	651.444	3.936	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408895921	OKJZVVGUTNGGAP-KGENOOAVSA-N	554.964	3.869	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409271091	IYZWMTOAJBJUIS-INJUALFYSA-N	561.689	3.707	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1cccs1	101396140	KNUAERLOZAMBFA-GQFJHEMJSA-N	532.625	3.623	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br	409060630	VOYYDLIBDLURSB-FQKMCRJQSA-N	642.572	3.805	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	409060885	AAFIDESSWNAVGU-INZJWMLVSA-N	517.651	3.797	10	40	KHCB	
CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O	1893395	OCWCOMFFTBXSEH-IBGZPJMESA-N	551.499	3.682	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(I)c1OCc1ccccc1	2086095	ZNUMROPTRJCCBT-UHFFFAOYSA-N	543.180	3.547	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC	8443676	GRXLQRADOREFQU-MFOYZWKCSA-N	517.332	3.904	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	9331052	QSDVZERIXWMOOY-HMAPJEAMSA-N	511.559	3.631	10	40	KHCB	
COc1ccc2c(c1)[C@@]1(C(=O)N2C)N(C)C[C@@H](c2cccnc2)[C@@]12SC(=S)N(Cc1ccccc1)C2=O	102872638	WOEMZIORWGKCNL-FAQZDJIUSA-N	530.675	3.790	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)C(C(=O)OC)=C1C	408871189	YBTRYWPCDZTAOM-LDADJPATSA-N	550.395	3.550	10	40	KHCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	103920197	OVIWPSWVUCOASF-IWIPYMOSSA-N	571.015	3.591	10	40	KHCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1Cl	409225085	OLHIMAUSYRLRNL-UUILKARUSA-N	571.609	3.704	10	40	KHCB	
COc1ccc([C@@H](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1	19936177	LUYRYOMQJMMSDD-HHHXNRCGSA-N	523.655	3.805	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	21486977	PNVFUMBYIWUAGY-RGEXLXHISA-N	512.060	3.814	10	40	KHCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(I)cc(I)c2O)C1=O	100103964	CJTYPUHOUZMVLS-GHXNOFRVSA-N	574.112	3.576	10	40	KHCB	
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC	225867667	VXCNUIUBVYLXBQ-QJOMJCCJSA-N	507.612	3.689	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408536830	SPHDJJZBCGYYAB-UDWIEESQSA-N	546.532	3.915	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cccs1	408768309	VVUMCWZATXYZSC-LJJBLSSYSA-N	511.669	3.715	10	40	KHCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408779988	PJFORBZMRVRQJA-HMHHDILKSA-N	504.583	3.794	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC	8819459	RFLHVCSHUDRWND-ODLFYWEKSA-N	503.558	3.938	10	40	KHCB	
Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1	9334811	CNLSEFZMEVNPFR-PGMHBOJBSA-N	506.653	3.674	10	40	KHCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)c1	101394696	WWEXOHALAXPNJV-WMYZHHRISA-N	547.412	3.598	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc([N+](=O)[O-])cc1)OC21C(=O)c2ccccc2C1=O	101652387	PEILBUQASSSWGA-NJDAHSKKSA-N	502.866	3.943	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1	150450093	UKXXXTWZDZBMGO-NWILIBCHSA-N	630.795	3.816	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409019892	KTCFLCWFNDRSHY-BUVRLJJBSA-N	513.550	3.716	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc(OC)c1OC	8766058	YZVYBEHWLWWGGY-OQLLNIDSSA-N	508.647	3.602	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br	14010685	YBEYQJLDWCQWLZ-BOPFTXTBSA-N	501.333	3.620	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100148026	SWCYMEANQQCZJY-FDFHNCONSA-N	532.892	3.952	10	40	KHCB	
CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@@H]2C)cc1)C(=O)Nc1cccc2ccccc12	104124307	UWHNBRYJJPMEET-ALOUZGPTSA-N	509.588	3.684	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(C)ccc3C)CC2)cc1	225938286	PTOLTJMFCWPWJX-UHFFFAOYSA-N	507.656	3.852	10	40	KHCB	
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccccc1Cl	409263495	LIXUIUXDBLNZIA-UYRXBGFRSA-N	520.885	3.932	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1cccc(I)c1)OC21C(=O)c2ccccc2C1=O	102409719	HUMWITYZDYGYGP-NJYVYQBISA-N	594.317	3.895	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103855787	NTOLCRRMACVXLQ-UHFFFAOYSA-N	598.331	3.507	10	40	KHCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(O)c(Br)c2Br)C(=O)NC1=S	409173609	MJGGWHVXTISGLM-JXMROGBWSA-N	542.205	3.766	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1Br	409346767	NYOSWWHLGIWOJE-CPNJWEJPSA-N	502.390	3.961	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC)cc1	2310831	DGQAKNDVROYUPF-SJJVXOANSA-N	535.666	3.749	10	40	KHCB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)cc2OC)cc1	100795907	RWXYNSKDBYOZHV-AXHWTOFNSA-N	545.660	3.711	10	40	KHCB	
O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)SC1=S)c1cccc(Cl)c1	101016952	PXABKCZRMKIELL-BUHFOSPRSA-N	569.498	3.915	10	40	KHCB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)c1	409055900	FMGOVQVCKRGLRS-GTWFGUSFSA-N	517.651	3.796	10	40	KHCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)O	49670025	CULPOYNTOOOYIX-QJOMJCCJSA-N	618.784	3.803	10	40	KHCB	
O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(CCCO)CC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	103761631	QWBPJTCGHVBEIP-UHFFFAOYSA-N	571.659	3.848	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408531608	HCPZDMVWMBDKBH-UDWIEESQSA-N	530.489	3.708	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408536311	QTZRQUIIYMRVQD-SFQUDFHCSA-N	505.414	3.628	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408990802	WLRHNPIDIRYKMW-PIXWUVMMSA-N	601.681	3.921	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4ccc(N5CCOCC5)cc4c3=O)CC2)cc1	33357900	MQDZRZRAAGVCGQ-UHFFFAOYSA-N	551.713	3.813	10	40	KHCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	408530520	MEZWILLXLSXOSC-ZDLGFXPLSA-N	518.389	3.890	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(I)c1O	408892997	DVNCZMUGYKSVEJ-ZROIWOOFSA-N	506.296	3.624	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)cc1	408953475	PVHGIUSGHUUQSD-KPKJPENVSA-N	515.101	3.876	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1	409064693	FHGVSAYGOACIEJ-XSFVSMFZSA-N	512.927	3.783	10	40	KHCB	
Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2	409362721	GHDDUDYCRSEAEA-AWQFTUOYSA-N	509.565	3.603	10	40	KHCB	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1	100244925	DNNYNDQWWWDTPP-GJQPQMNHSA-N	527.584	3.918	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](C(=O)OC)(c4ccccc4)[C@@H]3C2=O)cc1	100422011	FOPBPMHDNXUDOV-NHICWYPXSA-N	513.594	3.670	10	40	KHCB	
CN(C)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	101006133	UHUHQHPOPHBQID-JCMHNJIXSA-N	541.651	3.754	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)c1	408535635	OINHZWNYYJOMSU-AXBPCONUSA-N	543.488	3.897	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408537684	WQOWDCHRTHUFOY-GZTJUZNOSA-N	550.495	3.746	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1	408539301	VFISDTHPXICGNB-CAPFRKAQSA-N	602.449	3.936	10	40	KHCB	
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O	408903721	XKRPLTWYCHEQPG-RIYZIHGNSA-N	510.138	3.982	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409063364	AMUUGHSAYQSVJX-XDHOZWIPSA-N	587.404	3.988	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1	409092065	SQFXNWKJNDSCRJ-XDHOZWIPSA-N	504.411	3.970	10	40	KHCB	
O=C(NCCc1ccccc1)C(=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCc1ccccc1	12529186	SEPGITSPFIRZTD-UHFFFAOYSA-N	528.609	3.533	10	40	KHCB	
CN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(I)c2)C(=O)N(C)C1=S	59139479	VLVWXLXZNYHFDX-UHFFFAOYSA-N	510.328	3.608	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1	97964495	NCDDJBOQYLBFHJ-AZFHZWMESA-N	523.379	3.834	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccncc2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	105973414	YVZIMSNIGZLLKR-MWVDVNALSA-N	530.675	3.790	10	40	KHCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c(O)c1	408946076	OULOAXBXOHKWAI-DKOMQPSQSA-N	542.057	3.622	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409055901	BQIPGBZVEUHVBO-CSJROMOCSA-N	547.677	3.806	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F	409379245	WFKXSYRDGNMGMM-YVLHZVERSA-N	584.354	3.986	10	40	KHCB	
C[C@@H]1NC(=O)C2(CCCCc3ccccc3OCCNC1=O)CCN(Cc1ccc(N3CCOCC3)c(F)c1)CC2	643561572	SMORTFLUOXZCPD-DEOSSOPVSA-N	566.718	3.671	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(I)o2)C1=O	408767310	ZCLBDXAINJZTQN-YRNVUSSQSA-N	501.074	3.622	10	40	KHCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)c1	409230337	YIEOVNGYRJOSFC-HZHRSRAPSA-N	516.554	3.811	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC	408800609	QEQZABZVBWZBMQ-RIYZIHGNSA-N	506.296	3.592	10	40	KHCB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1	902600	LCMCXDALQIOCLV-AREMUKBSSA-N	503.534	3.815	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	100870221	NORPBBHVOCBJSA-VLZCYVRTSA-N	547.706	3.710	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(OCCN2CCCC2=O)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108448160	HWEMVMXRTCOCDC-IBGZPJMESA-N	591.569	3.684	10	40	KHCB	biogenic
O=C(O)CN1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3I)c2)SC1=S	1083995	GIFHAIIHAQEGSN-DHDCSXOGSA-N	525.345	3.796	10	40	KHCB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	8858063	RDAHQDRPMFFCBY-QNGOZBTKSA-N	523.659	3.685	10	40	KHCB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccc(N(C)C)cc3)n2)o1	100329726	RRVXRVYUZNLIPT-LJAQVGFWSA-N	585.665	3.865	10	40	KHCB	
CC1CCN(C(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)N4CCC(C)CC4)C3=O)SC2=S)CC1	101002466	HXBZYIDCGUGZKO-QURGRASLSA-N	596.866	3.996	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1	223207224	LWMIOUMVVBFELA-KAYWLYCHSA-N	533.698	3.971	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	97964736	WAWDVFQFOULKFR-NWSLSDTJSA-N	526.596	3.624	10	40	KHCB	
COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1	101396777	KDXFZVBTEGLMDK-HTWVIFJXSA-N	542.639	3.943	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1	102668163	YPQCUAMGKLLNMC-PWRODBHTSA-N	549.320	3.986	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409218260	DWONSNSSGLNRJL-UDWIEESQSA-N	521.913	3.738	10	40	KHCB	
COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)cc2)cc1	101396161	GLYKTQFFMBLNLH-TUKHXMGSSA-N	542.639	3.800	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223658693	MXRZCFVGNMSHCJ-DNQXCXABSA-N	509.588	3.942	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1	408936980	LTYCWYPFYSPOSC-KQWNVCNZSA-N	506.536	3.828	10	40	KHCB	
CN1CCCc2cc(CNC(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)ccc21	643558556	QEOZKGPXDROWJM-UHFFFAOYSA-N	518.702	3.689	10	40	KHCB	
COC(=O)c1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1	1616044659	OCEFPCPLLQFZFA-NDEPHWFRSA-N	508.578	3.891	10	40	KHCB	
Cc1c(N/C=C2/C(=O)N=C(S)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)n(-c2ccccc2)n1C	103221319	WZFUYXQLAISQAB-ATVHPVEESA-N	501.490	3.658	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)O	408766789	RVTONAQYYIXJCW-VGOFMYFVSA-N	537.750	3.939	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408951785	MPRWBSKRWTZOFW-WLRTZDKTSA-N	596.184	3.549	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1	409043310	DUQIUXFQTTVKBU-UDWIEESQSA-N	627.391	3.992	10	40	KHCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	409255944	MNIWNONVSJELTN-STZFKDTASA-N	500.467	3.587	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	97958086	VXGGCCBFYKUIBR-QTTRZTASSA-N	571.655	3.913	10	40	KHCB	
COc1cccc(OCCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1	101394396	PJWMHBUHXFOSHO-SMTYPRMSSA-N	537.623	3.740	10	40	KHCB	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(Cn4c(=S)[nH]c5cc6c(cc5c4=O)OCO6)cc3)CC2)cc1	102755310	BGOMMSDURRIGNU-UHFFFAOYSA-N	587.702	3.787	10	40	KHCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	104944923	NQYMWXUADDVMRN-QVOHLBINSA-N	554.647	3.850	10	40	KHCB	
CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)N4CCN(C(=O)OCC)CC4)C3=O)SC2=S)CC1	150426830	UIQWNIIAZLABOH-OCEACIFDSA-N	771.022	3.641	10	40	KHCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147572	VCFKCSDPGMHYEK-CLJLJLNGSA-N	519.671	3.800	10	40	KHCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408915838	ZXEVEXNHFOXNLS-UDWIEESQSA-N	507.449	3.657	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1OC	6906085	BKDIGYAZIWEDSS-AWNIVKPZSA-N	510.138	3.895	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1	100230445	NNXZXWCUMPAEOX-MKWGYRPRSA-N	535.666	3.662	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1	100672662	VEQRMNHBAWMHTL-SGNDLWITSA-N	509.514	3.867	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(c4ccccc4)CC3)nc12	100870219	NORPBBHVOCBJSA-BAVLMPOVSA-N	547.706	3.710	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC	408873652	ULZIAJQAARIEII-ZROIWOOFSA-N	508.337	3.530	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1OC	409122652	AQIKHKNBLIRSHC-OVCLIPMQSA-N	519.348	3.623	10	40	KHCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	20205693	HXVDJWFARDGNPS-LCQIMXFNSA-N	507.597	3.650	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Br)c1OCc1ccccc1	97964460	YTYDWQDJCJLPCV-UYAJQHSGSA-N	549.428	3.658	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	100762219	PIFQAPPCUBXCDR-FXBPSFAMSA-N	556.113	3.912	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C(=O)NC1=S	408966867	OOZFCRDMRYXAHE-UDWIEESQSA-N	573.494	3.644	10	40	KHCB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1	100286061	SHXZFVUWAJUJBE-WJOKGBTCSA-N	632.743	3.850	10	40	KHCB	
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)c1	408536212	QIZRTVJGCDWMMI-NQMXVTNKSA-N	513.462	3.889	10	40	KHCB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	408759601	HUCKQQHLXVINJC-RIYZIHGNSA-N	599.175	3.580	10	40	KHCB	
CN1CCN(C(=O)Cc2ccc3c(c2)OCCCO3)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643568187	NTWDILPJLHZCRZ-UHFFFAOYSA-N	585.701	3.811	10	40	KHCB	
COC(=O)C[C@@H]1c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)Oc2nc3sccn3c21	96222361	ZVFODBWXGHEUQG-SNVBAGLBSA-N	508.464	3.792	10	40	KHCB	biogenic
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(/N=N\c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1	150382526	HGDCEIFGXOXKLX-KARKAFJISA-N	679.810	3.699	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223146137	BVCKESPAXATLPL-IZZNHLLZSA-N	505.644	3.523	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I	408780965	OUBHBLRUOBYINI-OVCLIPMQSA-N	613.202	3.970	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3Br)C2=O)cc1OC	409217051	RAMPYBSHGRVQHA-OQLLNIDSSA-N	519.348	3.930	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	6378536	VEZPGYJFMYOSOM-VOSMRYOYSA-N	526.456	3.627	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19940398	CSCNTEBOZQSEHI-HHHXNRCGSA-N	529.645	3.949	10	40	KHCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	22913768	RHMJEBWKXGTLOU-UHFFFAOYSA-N	518.683	3.723	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	97964749	ZUYPECTXCBOGJK-ISFIWZGBSA-N	532.987	3.579	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(I)cc1)OC21C(=O)c2ccccc2C1=O	169616884	QIYIWFZEMHQLGM-NJDAHSKKSA-N	594.317	3.895	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408901074	ZWEOTSFTZFIQIU-PXLXIMEGSA-N	536.562	3.836	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC	408940361	NWBCCLDPZOKDRI-OQLLNIDSSA-N	504.293	3.821	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)c(Br)c1OCc1ccccc1	997822	FMYKNQVRFHAPAM-UHFFFAOYSA-N	524.165	3.939	10	40	KHCB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)cc1	6135889	GEAVHRPYBKHNOT-VWLOTQADSA-N	558.664	3.603	10	40	KHCB	
COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	101396792	QQNBOSRWVXEDBX-TUKHXMGSSA-N	542.639	3.943	10	40	KHCB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	103127671	NHTXQVQVAQWGIU-UHFFFAOYSA-N	546.523	3.535	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)cc1	169688877	FUAMBEDWPHCSAE-SMIHKQSGSA-N	509.514	3.867	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OC	408816489	UVBZJCFWFDXYDJ-YRNVUSSQSA-N	512.687	3.628	10	40	KHCB	
CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@@](Cc4c[nH]c5ccccc45)(C(=O)O)[C@@H]3C2=O)cc1	9510411	QLGRXBMXJQLIQF-VWDBNSKXSA-N	509.562	3.952	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC	13955245	RVAZMIXTADPZIO-DHDCSXOGSA-N	513.018	3.898	10	40	KHCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br	103851731	DRIXYJVJUSZXPZ-IZZDOVSWSA-N	527.755	3.625	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1	409150168	ACGOPQBROFLRNC-UNOMPAQXSA-N	502.936	3.760	10	40	KHCB	
CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6076948	CHVVRIQPIPOARK-QFIPXVFZSA-N	526.638	3.580	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223693860	FEXMUCFONUJREO-DNQXCXABSA-N	509.588	3.942	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1	408804248	DTDWXDAFAXPCJI-SRZZPIQSSA-N	518.438	3.757	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408927781	XYDUGZVUNFSJHB-FCKOQQNDSA-N	526.058	3.916	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S	97946708	FABMXTJIPZWTIV-JCMHNJIXSA-N	568.702	4.000	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	97964427	NPWSAMYYNXUACY-JTPDXPAISA-N	549.030	3.736	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1C	101394521	OCYSYLNHVBOGBJ-UIBINATQSA-N	542.639	3.863	10	40	KHCB	
COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408765085	WFXWIFZLMMCILX-VGOFMYFVSA-N	629.201	3.589	10	40	KHCB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409383317	UGBXIXBQUJHWOP-WQRHYEAKSA-N	580.937	3.949	10	40	KHCB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2Cl)cc1	10113333	LGSNLHLWQDVMEU-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1	13773766	UQIGRWYIHFKUNN-UQQQWYQISA-N	513.550	3.937	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	96022189	ZQKKHJUJHVMAFY-MOHJPFBDSA-N	563.749	3.953	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409144252	KGJCZYHETAMHFU-HZHRSRAPSA-N	529.553	3.501	10	40	KHCB	
COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](c3cc(OC)c(OC)c(OC)c3)CC4=O)CC2)cc1	10156591	YZWVHRKKJKVGRB-SFHVURJKSA-N	504.587	3.750	10	40	KHCB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	20080140	TVMLZIVNBFPYMN-RUZDIDTESA-N	517.634	3.589	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1cccs1	408982816	JTYNMYUANSSNLQ-RLGZEVEKSA-N	547.658	3.996	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1	409068111	SSHXKDFKTWBZMD-CPNJWEJPSA-N	527.898	3.682	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	409073178	PKDQUYFDAHKEQK-LDADJPATSA-N	557.378	3.892	10	40	KHCB	
CN1C(=O)/C(=c2/s/c(=C\C=C3\SC(c4ccccc4)=C(c4ccccc4)N3C)c(=O)n2C)SC1=S	8426256	RCMZGUDSBCKYSK-GYLBXQTPSA-N	535.741	3.872	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3N(Cc3ccccc3)S(C)(=O)=O)CC2)cc1	59930516	ZDXXGAKDFFEZQY-UHFFFAOYSA-N	539.654	3.641	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1	100336483	BBXHOUDOEMUNCP-ABYGYWHVSA-N	544.631	3.702	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223146828	CWFWJKUKHGEMLL-CLJLJLNGSA-N	536.658	3.711	10	40	KHCB	
CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	2300054	GMOGNVDSNOZXEK-LINNUKDLSA-N	523.636	3.821	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(I)c2)C1=O	408911073	YJYDNMYFRRWCLG-KPKJPENVSA-N	527.112	3.734	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)O	409053273	BQFXKXRNUBDESQ-WUXMJOGZSA-N	523.723	3.549	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	2285402	JSRMECGTBAKOMJ-OCEWKHMESA-N	535.666	3.662	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c(OCC)c1	408941144	JWOKFDJQOWNIKC-LPYMAVHISA-N	561.547	3.954	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1	409046826	KUQPXBHHDGIQFR-DEDYPNTBSA-N	578.375	3.920	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1[N+](=O)[O-]	409189980	OZOCTLGCLRWPDP-RGVLZGJSSA-N	504.524	3.840	10	40	KHCB	
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	2207174	NSENLBKHVGWLHW-PQDCBLBRSA-N	504.593	3.834	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1	12475576	QROUHJNPXMFNLE-LPYMAVHISA-N	501.495	3.719	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OCC	27531976	AKWXTKDWDBTREK-ZDLGFXPLSA-N	517.376	3.868	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1	97964403	OPMIDZMYCWLUHT-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2OC)C1=O	408531175	NKLSBQJDGLKJKK-CAPFRKAQSA-N	520.567	3.637	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	408844435	IWYGUHKKSGWGCP-VGOFMYFVSA-N	570.165	3.959	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	408992987	UINPCIDONJOQBU-GASCZTMLSA-N	577.600	3.785	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)C(=O)NC2=S)c(OC)c1	409106432	NLZQAOJKGBWXAL-LPYMAVHISA-N	518.595	3.901	10	40	KHCB	
COc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCCCCC4)c4ccccc34)CC2)cc1	10454907	BOUWZTWOQJURSC-UHFFFAOYSA-N	502.615	3.584	10	40	KHCB	
Cc1ccc(C)c(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	41077781	ZYKIQDWJTNMADW-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1	97946797	SCHCQYLRTORWTI-YRXLECQKSA-N	573.743	3.721	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	100073189	PTWGWWCLDWDZRY-XOYGFPHKSA-N	586.508	3.644	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223164876	DCOOCWNBMJVLFM-UIOOFZCWSA-N	519.671	3.580	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)O	408786809	NZCSYLJJUGHGDV-VGOFMYFVSA-N	523.723	3.631	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408990863	WWQSGBCIJZGJCC-JBDHCHCMSA-N	599.665	3.721	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	409070347	LPIDJYIXQNNCIY-XSFVSMFZSA-N	540.937	3.561	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1	409071354	QTQRRGZAPQZUPL-CJLVFECKSA-N	536.562	3.918	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1I	3768184	RXTVVASYGQLVEI-SXGWCWSVSA-N	555.371	3.805	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1	6245116	OOYVOAHECDACST-HSZRJFAPSA-N	522.675	3.749	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	6442187	ANXJWZSIBKLSEQ-QHCPKHFHSA-N	520.659	3.646	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)O	103859351	DQAPCAFVYZROOG-VGOFMYFVSA-N	615.174	3.582	10	40	KHCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccccc1Br	408898410	KZPKJSDBTUQOFY-UHFFFAOYSA-N	573.206	3.556	10	40	KHCB	
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NC(C)(C)C)[C@@H](C=CCO2)C1	958317642	DJAXIOCGDMUUPE-ZEQRLZLVSA-N	533.717	3.568	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1CN1C(=O)c2ccccc2C1=O	100291863	OVXJRWZCDBBFEK-UYRXBGFRSA-N	531.977	3.976	10	40	KHCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1=O	408533266	JSEXQEMEKJGJQJ-HFIOFXJDSA-N	513.462	3.889	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	409070585	CJDPRHYQZCOOAI-VXLYETTFSA-N	614.348	3.949	10	40	KHCB	
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409156554	OUMPTLXEZUPCMN-MTJSOVHGSA-N	574.999	3.937	10	40	KHCB	
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c2C)sc(C)c1C	409197655	LLTOQEQSNHOQKT-VXLYETTFSA-N	535.578	3.950	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC3)nc12	13645668	LGQKTZNTBZRWGU-NDENLUEZSA-N	506.609	3.733	10	40	KHCB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2F)c1C	25397400	BTTIWJXZGISORN-UHFFFAOYSA-N	526.561	3.853	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2	408529114	CCPJTLNULRVTOH-RGVLZGJSSA-N	530.489	3.708	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408983577	MLBHRXOASIVFFQ-CHHVJCJISA-N	598.777	3.870	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl	409237988	JTZXEPSXKDKGOD-XDHOZWIPSA-N	502.936	3.760	10	40	KHCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	409273515	YRYRLGGBADPDHR-ATVHPVEESA-N	529.478	3.697	10	40	KHCB	
Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1	100329973	VAYROCTTYMDJLV-LSYYVWMOSA-N	557.655	3.686	10	40	KHCB	
COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	102558794	BZWQMNQUEFAQPY-FSSWDIPSSA-N	579.346	3.995	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)c1	164344048	YJFPAZHLAPTCMZ-VGOFMYFVSA-N	706.227	3.823	10	40	KHCB	
Cc1cccc(C)c1OCCn1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	41077864	WOIXTBCRHABDPT-VZKFJVGXSA-N	521.624	3.958	10	40	KHCB	
CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccc(OC)cc3N2C)c(=O)n1-c1ccccc1	97964002	ZXBVVAOAQUJZAI-FDMCKTFZSA-N	598.706	3.722	10	40	KHCB	
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O	97972054	SETWFFWTIUXCDG-OAHLLOKOSA-N	534.473	3.960	10	40	KHCB	biogenic
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	100649270	OETUITNROQBFTH-RGVLZGJSSA-N	523.954	3.975	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC	103850407	IPFCMTSALRTIHY-OQLLNIDSSA-N	524.286	3.894	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccnc2)[C@]12SC(=S)N(Cc1ccccc1)C2=O	106015654	WOEMZIORWGKCNL-MWVDVNALSA-N	530.675	3.790	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)CC2)cc1	409065976	GOMQICDUCKBMQK-UHFFFAOYSA-N	514.047	3.888	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	409363670	MAPVBIYSDWMCBM-NDENLUEZSA-N	551.914	3.950	10	40	KHCB	
O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])Nc1ccc(F)cc1	409399439	IPUPYFRBSHSHDO-ZDLGFXPLSA-N	510.865	3.866	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccc(OC(F)F)cc1	3286619	SWCFFWCGFKMSFB-PMACEKPBSA-N	500.498	3.763	10	40	KHCB	
COc1c(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70672230	DAWPPBVMZGJLEN-JWGURIENSA-N	541.560	3.713	10	40	KHCB	biogenic
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1	104944919	NQYMWXUADDVMRN-QWYUUOJISA-N	554.647	3.850	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC(C)=O)c(Br)c3)C(=O)NC2=S)cc1	408758561	MQOVDKULICPKPT-AUWJEWJLSA-N	554.216	3.977	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)o1	408980598	FYKFUDDJGAZEKC-ZDGAQAAHSA-N	545.617	3.805	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc1OC	409126808	PIFWMKIHCVISDZ-CXUHLZMHSA-N	533.375	3.926	10	40	KHCB	
CCOC(=O)[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	409410091	YTOZORZXDLTZLV-RQNDZEIBSA-N	503.349	3.640	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2364107	PAEDGAIPTINZSC-VKZJTJHYSA-N	533.679	3.667	10	40	KHCB	
N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12	9463096	ODSMYELMZXUJDP-FWMAWXJYSA-N	503.584	3.776	10	40	KHCB	
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	12480812	SHASSZYUHNWYFW-ABYGYWHVSA-N	526.641	3.875	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408831446	NZYWFUXNGJCEJD-UPWSPCOFSA-N	601.681	3.921	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409101338	SRHGUMADOWFOGN-KDSDTBODSA-N	596.109	3.502	10	40	KHCB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)cc1	100542078	FUAMBEDWPHCSAE-TZRRMPRUSA-N	509.514	3.867	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408828761	JFAAPPYCIAKYSR-FUFNRSNVSA-N	631.707	3.930	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	408847832	VWPXDAYKSXAGCM-VCHYOVAHSA-N	592.386	3.915	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408927780	XYDUGZVUNFSJHB-DLBLZJNESA-N	526.058	3.916	10	40	KHCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)N=C2O)cc1	2277669	LEHQPRFGUXRVBZ-HZHRSRAPSA-N	509.518	3.925	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	97964405	YNJXNMAKWVHRKT-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	112243097	BRMKXVJWWXGRAE-UCQKPKSFSA-N	558.979	3.722	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1	408550035	ATQRRZHVWCLBHK-UHFFFAOYSA-N	537.682	3.594	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3Cl)CC2)cc1	408601065	DZPDTFBIRMWPAO-UHFFFAOYSA-N	516.019	3.877	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409073022	WUVHOAWUZUHSCF-UDWIEESQSA-N	517.450	3.547	10	40	KHCB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(N(C)C)cc3)n2)o1	887368	RRVXRVYUZNLIPT-GDLZYMKVSA-N	585.665	3.865	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	18181670	KSBGNRVXQHVCLN-TZRRMPRUSA-N	509.514	3.867	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)c(OC)c1	59594244	INFHRTGGCWSCEP-UDWIEESQSA-N	505.552	3.641	10	40	KHCB	
COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC	108450572	IQGJGBPGVNLZCH-ZDUSSCGKSA-N	522.462	3.749	10	40	KHCB	biogenic
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1cc(C)cc(C)c1	101394121	XENLOVDYSWVJQI-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@]12SC(=S)N(Cc1ccco1)C2=O	105973435	LQJBRCPEMVKYGQ-ZYKLXPEUSA-N	509.609	3.581	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223658365	RDICOPNTZCNLKC-BJKOFHAPSA-N	509.588	3.942	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	408809531	OFZBJLDPDKQVNY-GZTJUZNOSA-N	578.359	3.932	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408888073	WLECVRWMOYGUPO-CJLVFECKSA-N	534.546	3.606	10	40	KHCB	
COc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-]	408989915	VOKGOGPLXZUDRB-XGICHPGQSA-N	541.685	3.836	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)cc1	409346703	OEOMEJXDXORIOX-DHDCSXOGSA-N	512.350	3.552	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	103852682	LPFUAERHIYZSMA-NTEUORMPSA-N	551.390	3.760	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	223658513	MXRZCFVGNMSHCJ-ZEQRLZLVSA-N	509.588	3.942	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	408791560	YSCCFEJJZHYFKC-LICLKQGHSA-N	548.333	3.516	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(I)c2)SC1=S	409381234	DUYIIQOGZKJZGG-YHYXMXQVSA-N	528.187	3.738	10	40	KHCB	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	13670832	LSOANXOXRZGLTN-NRFANRHFSA-N	509.628	3.786	10	40	KHCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1	100656653	PWTPZNXYNDTLCR-CVFJJXLISA-N	529.556	3.790	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	103750719	CZOOMVRALINZBX-FJWZAKCXSA-N	556.482	3.635	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C2=O)cc1	408847844	SOCJZPNKZRVQBQ-FYJGNVAPSA-N	502.479	3.647	10	40	KHCB	
CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408951914	MWLBQYNLXVPNAM-VGOFMYFVSA-N	503.305	3.642	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1	409265115	MRHTYRARXLKGEY-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409379567	XVTQOMHXWUGQFU-XSFVSMFZSA-N	533.512	3.917	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	33356301	PSKAYONYVKJPJZ-CCPUYDQRSA-N	547.596	3.701	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccccc1F	97964834	NQUWSQHNEMYPRX-CXPHBSEKSA-N	544.586	3.701	10	40	KHCB	
CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)SC1=S	409349078	ULLYNFMXDQKZQZ-ZROIWOOFSA-N	521.398	3.853	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])Nc1ccccc1F	409398736	CINYMTDDJXKZPT-BOPFTXTBSA-N	510.865	3.866	10	40	KHCB	
Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c(C)c1	2542360	AZKZKZXYJNYZAP-QURGRASLSA-N	509.609	3.725	10	40	KHCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)SC2=S)c1	9264679	KQWZFVWUJFYJQY-BKUYFWCQSA-N	507.593	3.604	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	97947290	JHSGTQIFVOGVJN-QNGOZBTKSA-N	567.668	3.535	10	40	KHCB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1	101130243	VEQRMNHBAWMHTL-RBZQAINGSA-N	509.514	3.867	10	40	KHCB	
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1	108449184	RUZMTQRBARHHEU-AWEZNQCLSA-N	529.457	3.574	10	40	KHCB	biogenic
Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)O)c(I)c3)C(=O)NC2=S)c1C	408781165	BDQPKMKCAVHVMI-AWNIVKPZSA-N	662.243	3.807	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	408904677	MYCLLXIGVBNIOK-BJMVGYQFSA-N	503.079	3.970	10	40	KHCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(I)cc1	409370972	AWMOTGOVUBYBNM-ODLFYWEKSA-N	515.307	3.954	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	20205989	RSEZWBLDDLDXHF-WUVMMTAUSA-N	504.977	3.549	10	40	KHCB	
CN1C(=O)C(=CNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)N(C)C1=O	408531506	KPSFRVLIPPRZQW-UHFFFAOYSA-N	515.408	3.973	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1	408979888	DGXURZKGTCMLEV-CSJROMOCSA-N	555.656	3.992	10	40	KHCB	
O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc(N5C(=O)[C@@H]6CCCC[C@H]6C5=O)cc4s3)c([N+](=O)[O-])c2)C(=O)N1	408992990	UINPCIDONJOQBU-HUUCEWRRSA-N	577.600	3.785	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1	409048624	SUCUDHMKLZIELJ-UHFFFAOYSA-N	514.170	3.844	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)C(=O)NC2=S)c(OC)c1	409092034	XCTZFBRYTWAMFG-IZZDOVSWSA-N	572.231	3.774	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	6135979	SXWSGAOWVNKUFZ-XMMPIXPASA-N	546.628	3.734	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1	10113396	ZBAYZGYTOZDDNW-UHFFFAOYSA-N	527.618	3.573	10	40	KHCB	
CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1	902588	MHKOWROBOVEKIU-MUUNZHRXSA-N	542.596	3.634	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccccn1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35808494	MJWMREKMZDUMNW-WDNCENIBSA-N	508.600	3.514	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	100863825	FFTVUCZDAOYGHV-SILNSSARSA-N	541.699	3.815	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408838533	XOICYBQSOLANAO-FCKOQQNDSA-N	526.058	3.916	10	40	KHCB	
CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	6077030	CNMIIAAYHPTHSU-RDGATRHJSA-N	564.712	3.697	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	41084036	JXCAJRFIFBKHRI-LTQDZZRLSA-N	519.004	3.939	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1	97964723	QGMVJICIUPTIRI-SMTYPRMSSA-N	537.623	3.740	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409062239	QLRCRVODNZXBPZ-GVMLUORFSA-N	531.634	3.517	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1O	409242014	ZXTDLOYQFOKRFA-YRNVUSSQSA-N	528.755	3.880	10	40	KHCB	
COc1cc(OC)cc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1	100152776	NKQBDCJKUPTWJP-VABKMULXSA-N	501.466	3.538	10	40	KHCB	
CCOc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@@H](c2cccnc2)[C@]12SC(=S)N(Cc1ccco1)C2=O	102813912	KYHUTAUWXBXOGM-GCCWUPBUSA-N	534.663	3.774	10	40	KHCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	104090515	QEIALNPKTRAHQP-WWDJGNSZSA-N	510.532	3.510	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC	408805987	DKQAYTAXLJXWRK-RIYZIHGNSA-N	506.296	3.592	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	408981358	AOQLLKKYZGRSNR-YVLHZVERSA-N	531.359	3.628	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409071995	ADDFDYFPAQHMJK-XSFVSMFZSA-N	510.499	3.659	10	40	KHCB	
Cc1cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)c(C)n1-c1ccc2c(c1)OCO2	3375774	VWJBQPNVYGCNSZ-VWLOTQADSA-N	512.584	3.552	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc3ccccc23)cc1	6135870	GBWCONQHIUWMJA-LVXARBLLSA-N	572.691	3.727	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S	97947686	OOJYZWJLWSIEFL-QJOMJCCJSA-N	565.721	3.576	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	100497436	KEMGLYBNPSPUKG-FSSWDIPSSA-N	501.878	3.764	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1cc(C)cc(C)c1	101394461	IKGCAQPJQCQKIL-VZKFJVGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(N(C)C)cc1)C(C(=O)OCC)=C(C)N=2	408920924	LTKUYYGJJYKPJU-FWESEHMYSA-N	599.709	3.959	10	40	KHCB	
COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n21	409062143	OKAOTTBBYWPRQX-RISWYLRJSA-N	568.095	3.685	10	40	KHCB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O	408533618	KHXAHNLQGORCAU-ONVHILOFSA-N	501.495	3.864	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	409068392	RHDQJNMGTISFTQ-ZHZULCJRSA-N	527.352	3.883	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC	2370487	KQBRVFSUEBPGRS-ZHZULCJRSA-N	510.641	3.530	10	40	KHCB	
CCOC(=O)c1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)ccc1Cl	100420413	HPCBYYDJBUQPHB-NVMNQCDNSA-N	534.999	3.820	10	40	KHCB	
COc1cccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4cccc(OC)c4)C3=O)SC2=S)c1	101002381	IBPZVBQTDNOJIU-QURGRASLSA-N	616.768	3.993	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCc3nnc4n(CCc5ccccc5)c(=O)c5ccccc5n34)CC2)cc1	101532714	RHJCYUPZDRNRCO-UHFFFAOYSA-N	536.636	3.577	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223146201	BVCKESPAXATLPL-UIOOFZCWSA-N	505.644	3.523	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1Br	408880927	JLGWMTKFWVHFGM-UHFFFAOYSA-N	524.165	3.939	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	409059777	OIIUVFABPKJYKV-ZMVORIFESA-N	569.658	3.911	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409061588	GBFDWRZCCJMVTA-NTWBUQQASA-N	530.694	3.773	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409098216	KLCZTXNINKMDNJ-IAOUMNOZSA-N	562.736	3.967	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1	8858610	XWTIQIBHACHKLR-CBAAQYGVSA-N	522.652	3.738	10	40	KHCB	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(Cl)cc1	11612300	YCQWGITXBUWKTP-KGYDGOCLSA-N	512.012	3.864	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OCc1ccccc1	20207049	PYQUVYSLVCYLMC-RQUXIJKASA-N	512.613	3.922	10	40	KHCB	
CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC	96193391	MPIOFAJRKHDBFL-YVLHZVERSA-N	508.394	3.700	10	40	KHCB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)cc1C	408536636	WYRVSVZRTBQKEV-KAMYIIQDSA-N	539.390	3.827	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409146495	TWWMECGXHQICCK-NWKGEQBZSA-N	585.480	3.843	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CSc3nnc4c5c6c(sc5ncn34)C[C@H](C)CC6)CC2)cc1	929648	MSSKOFFNJHFMML-MRXNPFEDSA-N	508.673	3.913	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	1009673	RZDRJHMFFPJFEQ-HKWRFOASSA-N	508.625	3.723	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCCOc1ccc(C)cc1	101396403	IYLVYQFTPORWTE-VZKFJVGXSA-N	542.639	3.861	10	40	KHCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	101481298	DNTXTJGGRYDNDG-NJDAHSKKSA-N	549.320	3.986	10	40	KHCB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2OC)cc1	409381930	PDGKHCYKGUSQJD-JAIQZWGSSA-N	551.939	3.747	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1OC	16741305	KRUXNPWTNJFUMV-PGMHBOJBSA-N	522.652	3.756	10	40	KHCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O	408536659	XBGUHVYKVVKOTH-DYTRJAOYSA-N	551.607	3.736	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(OC)c4)C3=O)cc2OC)cc1	408537546	WEPUXWFIJATKBF-FYJGNVAPSA-N	502.479	3.598	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(C)c(C)c1	408871646	IDGJWCZRADTATK-UHFFFAOYSA-N	536.391	3.800	10	40	KHCB	
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC(C)=O	97972053	SETWFFWTIUXCDG-HNNXBMFYSA-N	534.473	3.960	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	100189890	JKFZZNOEXFQAJO-GTWFGUSFSA-N	535.666	3.662	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	108996799	JJFPCJYJBBVXNK-RISWYLRJSA-N	535.666	3.660	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1	409065384	LFWDAHDZLHZWDB-MOSHPQCFSA-N	500.891	3.913	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCC	409192195	VLSNALMFSBECRH-OQLLNIDSSA-N	566.373	3.618	10	40	KHCB	
COCCOC(=O)C1=C(C)N(c2cc(C)ccc2OC)C(=S)N[C@@H]1c1ccc(N2CCOCC2)cc1	2664129	ZCIOYZDCKAHMET-RUZDIDTESA-N	511.644	3.740	10	40	KHCB	
CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(N(C)C)cc1)C(C(=O)OCC)=C(C)N=2	408920925	LTKUYYGJJYKPJU-OINPTKSXSA-N	599.709	3.959	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OCc3ccc(C(=O)O)cc3)C2=O)cc1	409187619	SOBQAXRVHHUMOE-KGENOOAVSA-N	502.479	3.647	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409371042	ANJTWZXZJMGYSD-VCHYOVAHSA-N	601.353	3.572	10	40	KHCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1	8777675	NNDGXCIXPBAYIB-ONUIUJJFSA-N	549.649	3.809	10	40	KHCB	
O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S	15230912	XVEBQAOFKALSQI-FCQUAONHSA-N	523.636	3.566	10	40	KHCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C(=O)NC2=S)cc1	408740277	FGKOLMFZSJDKAE-WUXMJOGZSA-N	543.180	3.899	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C(=O)NC2=S)c(OC)c1	409098851	QTZZPEDKFCCKNJ-GZTJUZNOSA-N	509.496	3.712	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1	409224943	ODWDYRIUEAXAGQ-HMAPJEAMSA-N	533.924	3.811	10	40	KHCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778039	DFSIXFLHHADSEY-IVKFTBJLSA-N	576.719	3.970	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	13811291	RVOVFVNHDQGRQF-RLVCXLGISA-N	522.652	3.529	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)C(=O)NC1=S	59247814	WTLXMMWSSFDQET-NTUHNPAUSA-N	509.765	3.706	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97946196	NWGYSQZPKHUPNG-CLCOLTQESA-N	579.748	3.966	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3O)C2=O)cc1	100241173	LNNPZSWWBYWQQJ-ZSOIEALJSA-N	604.138	3.667	10	40	KHCB	
COc1c(I)cc(I)cc1/C=C1/SC(=S)N(C)C1=O	105496007	VIAPTEBKDWEXNF-RUDMXATFSA-N	517.151	3.735	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223640617	RJBPNAXEEVBXHR-SVBPBHIXSA-N	519.671	3.861	10	40	KHCB	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408757331	MBSSZPNJAAKCCM-YBFXNURJSA-N	510.304	3.826	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	409373006	PCNZPGPVDMUXFA-GIJQJNRQSA-N	555.337	3.990	10	40	KHCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)C(=O)NC1=S	409385415	LHRACPKFLWENTO-LDADJPATSA-N	506.536	3.959	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1	6143991	PFUIUFWBTOOKKU-QNGOZBTKSA-N	532.651	3.803	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccccc1OC	409060908	WYMUDZIUAFMTTN-ASSGYOTOSA-N	517.651	3.716	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C(=O)NC1=S	409379258	WHYGBPYFDKCLFV-GZTJUZNOSA-N	623.323	3.589	10	40	KHCB	
Cc1c(/C(=C2\C[C@H](C(C)C)C(=O)[C@H](CN(CC(=O)O)CC(=O)O)[C@@H]2C)c2ccccc2S(=O)(=O)O)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O	606302659	HIEMKKVAUHDMPJ-SWCGPDQRSA-N	760.859	3.812	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21	101396325	TXZBBOSCONAANM-SOIJMFHNSA-N	526.596	3.642	10	40	KHCB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c(OC)c1	103538136	REVQTKQSEBTHSZ-UHFFFAOYSA-N	556.059	3.957	10	40	KHCB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	223678290	CZDOZFBVZOLSHQ-UHFFFAOYSA-N	527.618	3.955	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C(=O)OC)(c2ccccc2)N[C@H]3c2ccc(N(C)C)cc2)cc1	245229786	FOPBPMHDNXUDOV-TUAOVVRQSA-N	513.594	3.670	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1	409058947	ZYKBCLXNLQSREV-HMZQWJBASA-N	551.668	3.772	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc([N+](=O)[O-])c1	409401371	XKGROSPKLWVXNU-NDENLUEZSA-N	504.455	3.942	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	9158223	BYVUOEICLSHDTP-PGMHBOJBSA-N	506.653	3.885	10	40	KHCB	
Cc1cccc(C)c1OCCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	20206115	BXQACZXYNSFZGF-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1	100329558	UPVBNWUQPZRJIB-MUUNZHRXSA-N	587.656	3.959	10	40	KHCB	
N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101136919	UUDQLXDUYOFRPJ-XGCFFSCVSA-N	524.002	3.787	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccccc1	101394320	HDXMWMJOCIAVKK-OCTOJFLBSA-N	528.612	3.554	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409069703	XFILOSYNSAKNMC-RCCKNPSSSA-N	522.535	3.528	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409265503	VGVZZCLEZRFLQT-BKUYFWCQSA-N	544.520	3.904	10	40	KHCB	
Cc1c2c(cc(=O)n1CCCN1CCOCC1)[C@H](C(=O)Nc1ccc(Cl)cc1)NN(c1nc3ccccc3s1)C2=O	98042791	NTZXMLZAKNJKKE-AREMUKBSSA-N	593.109	3.987	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408778128	BMTVNRGCPQMMAD-SIXXWLKTSA-N	504.583	3.794	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409096738	DXINCFRRDCACNB-UQDCTOEPSA-N	578.735	3.673	10	40	KHCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1	409199970	GDUDQPWEOHGLIB-OEAKJJBVSA-N	504.518	3.941	10	40	KHCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3)CC2)cc1	409384762	GAIRJESTCJHWPU-UHFFFAOYSA-N	509.628	3.840	10	40	KHCB	
COc1ccccc1N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1	100929617	JDXRTAILLDZIQE-JCMHNJIXSA-N	535.695	3.948	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408775921	WUQHRGOGFVHNBP-ONUIUJJFSA-N	511.578	3.692	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409010505	KTJHRIRHKYXCOX-HDAJJNEKSA-N	562.406	3.693	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409044553	VXRRIRZEMXTESQ-YBFXNURJSA-N	550.911	3.941	10	40	KHCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C(=O)NC1=S	408918831	POQVAGPTAUHHNF-RIYZIHGNSA-N	557.207	3.889	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)O	409400090	ORGCOAPNNVLCHC-RLIURORJSA-N	509.740	3.815	10	40	KHCB	
CN1C(=O)C(=Cc2ccc(O[C@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)cc2)C(=O)N(C)C1=O	1464487	PURCMBSBIWYRPE-FQEVSTJZSA-N	510.761	3.626	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	9290813	MGPRMFCCTDWQIY-YLCCHKQJSA-N	524.668	3.776	10	40	KHCB	
COCCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S	100762214	IMZTWMHIECPTGZ-SILNSSARSA-N	542.086	3.522	10	40	KHCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc(I)c1O	408851537	CLHLOJJNWSWQLT-UXBLZVDNSA-N	502.692	3.621	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	408925242	LJDVTNWQYPTENB-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(F)cc1	1106528	BPCMXDIGFKCDFA-OVCLIPMQSA-N	540.354	3.665	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6077463	VLJRYRHTGAATRA-NRFANRHFSA-N	526.638	3.722	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408534051	KYSULTNCNKVZRH-KGENOOAVSA-N	531.477	3.888	10	40	KHCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(F)(F)F	408678109	BIGBCHXZXFOQBI-UEXGIBASSA-N	500.473	3.750	10	40	KHCB	
CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c1	1279196	WKCVICSWWUAUAE-HKOYGPOVSA-N	551.694	3.872	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(CN3C(=O)CSC3=O)c3ccccc3)C2=O)cc1OC	100305678	OVRDRWFGFQYSFP-ODLFYWEKSA-N	543.648	3.591	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)O	408982064	FLJYQXVGSANAJC-SXGWCWSVSA-N	517.332	3.540	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	409060888	AAFIDESSWNAVGU-NQCZSQBNSA-N	517.651	3.797	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409070587	CJISYKZEAICOOZ-RGVLZGJSSA-N	517.450	3.547	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC	409101244	AQFOXGADYQVVAX-ZMIGGIFCSA-N	583.552	3.941	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)O	409380012	FTRIWTVWSNEBOW-CXUHLZMHSA-N	533.400	3.705	10	40	KHCB	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	409069443	CXMQTIKUYRJPTQ-DEDYPNTBSA-N	527.898	3.682	10	40	KHCB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	6134411	QCRQJBWNAZJPOX-DEOSSOPVSA-N	550.685	3.736	10	40	KHCB	
O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br	100215992	VEWCLEIZPLTUNU-LFYBBSHMSA-N	558.179	3.645	10	40	KHCB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	102935328	BCAXBTBYJVHNGR-UHFFFAOYSA-N	539.009	3.708	10	40	KHCB	
O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	103097641	XCNVVPGFANKUBX-UHFFFAOYSA-N	542.878	3.629	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1ccncc1)[C@]21SC(=S)N(Cc2ccccc2)C1=O	106021915	PQXYMPXKSMRAQF-COFKYPDJSA-N	518.639	3.921	10	40	KHCB	
CN1CCN(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)CC1	408535473	SVFFIOSXCILKBA-HMMYKYKNSA-N	527.463	3.631	10	40	KHCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	408740438	KQANQRGGUPNBKH-NTUHNPAUSA-N	510.138	3.895	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	409106992	OADJYXDGHBANAY-OWXSRONMSA-N	602.698	3.714	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCN(C)CC3)nc12	1464563	CNLGHFTWBXQFRL-WKSXIXGESA-N	505.669	3.717	10	40	KHCB	
COc1ccccc1OCCCn1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21	97964509	GRKVCNCSMLIGBA-UIBINATQSA-N	537.623	3.740	10	40	KHCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O	100221191	YYTXCJZTQNYFBY-QNGOZBTKSA-N	525.517	3.557	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)cc1	6281912	VHIGAERKSQZSCV-MUUNZHRXSA-N	539.615	3.931	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1	9311371	QROUHJNPXMFNLE-XKZIYDEJSA-N	501.495	3.719	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	100860332	OLAFOUKPRBFKGJ-VQYZLWMVSA-N	565.696	3.849	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223694536	LYCHNWJQPGUEOO-ZEQRLZLVSA-N	509.588	3.942	10	40	KHCB	
Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)cc21	408537236	ZQWFELFWOHRKID-NJNXFGOHSA-N	601.667	3.936	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409054239	IHIGRHBEVLUFAB-YOWYGEOISA-N	611.720	3.789	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1	408739502	CHRYARNONVXVKL-NTUHNPAUSA-N	510.138	3.895	10	40	KHCB	
O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl	409269032	DCVWLHJHEVAFSP-AQTBWJFISA-N	520.885	3.932	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)OC	409399382	HQOKOBLAZJSWDL-GQVHDAKQSA-N	523.767	3.903	10	40	KHCB	
CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1=O	643555778	BRRJHTZZDKLDRQ-HKBQPEDESA-N	546.668	3.811	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I	100293810	NLEAANCYXBMBNT-MDWZMJQESA-N	543.180	3.894	10	40	KHCB	
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=N)N21	101395158	OOGFCSOTHSLKDT-SMTYPRMSSA-N	537.623	3.740	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	103846096	WPQOZGSKVPAVFB-RGVLZGJSSA-N	531.477	3.968	10	40	KHCB	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCOCC1	408693094	GSWDKULMWJCESY-UHFFFAOYSA-N	514.987	3.853	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)OC	408764085	VZJNRWSVYHJIHS-OVCLIPMQSA-N	643.228	3.979	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	408943349	SAVMZEQBYLEVTG-OQLLNIDSSA-N	551.293	3.663	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1Br	9311376	PTDZIQRXTMGTDL-GZTJUZNOSA-N	517.401	3.785	10	40	KHCB	
Oc1c(I)cc(I)cc1CNCCCN1CCCCC1	48277674	VBDXQNORQSTNKZ-UHFFFAOYSA-N	500.162	3.567	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499736	BBJVMSHCEZNYJZ-LJJBLSSYSA-N	540.483	3.935	10	40	KHCB	
O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c(O)cc1O	408722719	MQOXKANEXONXBX-YCRREMRBSA-N	535.146	3.841	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408963782	PHQISXYWNXCIBG-UHFFFAOYSA-N	550.406	3.603	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC	409381329	FZFDJLBIVYHKKA-XSFVSMFZSA-N	533.512	3.917	10	40	KHCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	32099505	MGTPMZAVPRCRTB-BOPFTXTBSA-N	500.248	3.711	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1OC(=O)c1ccco1	101396303	QYLIAPNGELTSGB-WTZVULCFSA-N	530.584	3.545	10	40	KHCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1	408532451	MTFUCEZJGUUIAG-LGMDPLHJSA-N	510.396	3.501	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br	408786810	WFHOFSVVPZVLFZ-VGOFMYFVSA-N	552.175	3.738	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)OC	408848030	XUHXNIGCGMHFEC-RQZCQDPDSA-N	578.359	3.525	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)c(OCC)c3)C2=O)cc1	408901184	WTPSWNWRYLYLSL-YBEGLDIGSA-N	536.322	3.851	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409090944	NYFBNUWGCHPOPZ-LICLKQGHSA-N	549.408	3.879	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	27551388	NSIBPFQXKFSBEN-ZMIGGIFCSA-N	505.640	3.652	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1	97964478	FRHPYQSRQOLAEW-RQECEPOMSA-N	523.379	3.834	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1	223187063	RQRBUBWOPMMPOE-IZZNHLLZSA-N	519.671	3.882	10	40	KHCB	
COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)cc1	408532694	QUAQAJBCBOOZSY-XMHGGMMESA-N	526.958	3.728	10	40	KHCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	408850539	BPVIQAPTMGUQBQ-PYLVJIKSSA-N	568.655	3.728	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409067359	QKJFTUKMWMASQR-XDHOZWIPSA-N	634.404	3.830	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F	409382666	NAKBICBQAKLHJT-UYRXBGFRSA-N	548.483	3.817	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	9850980	KSBGNRVXQHVCLN-SGNDLWITSA-N	509.514	3.867	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	16696056	RZDRJHMFFPJFEQ-HMMYKYKNSA-N	508.625	3.723	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20060732	IZFCHHJRQNGWLF-UHFFFAOYSA-N	523.655	3.865	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1	100860338	JHSGTQIFVOGVJN-RCCKNPSSSA-N	567.668	3.535	10	40	KHCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c1	101396364	ODPVWHKCFMWQFM-XSHSNWJLSA-N	529.644	3.759	10	40	KHCB	
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC	108448076	JTFABHZPGOHJJO-ZDUSSCGKSA-N	522.462	3.749	10	40	KHCB	biogenic
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223189280	VAXBQIVUOHKMLB-SXOMAYOGSA-N	519.671	3.913	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4OC)c3)C2=O)cc1	409370435	QSZRWLYOFRUHNP-CJLVFECKSA-N	515.522	3.778	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)O	409399256	HEEVFXFQTBCHGS-RLIURORJSA-N	554.191	3.924	10	40	KHCB	
CN1CCN(C(=O)CCC2CCC2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O	643589077	QICHNQOLXPRNDJ-UHFFFAOYSA-N	505.659	3.987	10	40	KHCB	
Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	6095071	YYKYNPMLELQTGV-UHFFFAOYSA-N	510.641	3.966	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	101602637	MDBCIWYPEWNOHB-JJLFXSABSA-N	609.476	3.994	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OCC)c(OCC(=O)O)cc3Br)C2=O)c1	408856506	KMLJEWBSPUANFL-CXUHLZMHSA-N	577.384	3.775	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)cc1	409056514	RRLWYHUZCHHGGB-ASSGYOTOSA-N	517.651	3.716	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1	409260560	RZUFIBXLXNONBE-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	6135945	MEMIOASSJZPVJD-XMMPIXPASA-N	550.685	3.736	10	40	KHCB	
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	12480834	SHASSZYUHNWYFW-VAVYLYDRSA-N	526.641	3.875	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCC	18218104	WPLLXIISCOKKPO-XNTDXEJSSA-N	512.344	3.883	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1	408781328	CFLIFGGRPJCKBV-FLVGQNKLSA-N	506.555	3.564	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408840646	HLZWCXFAGWSRGR-YNMQQHPQSA-N	584.698	3.970	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408891610	TZTLWAGLLLNOGS-HYARGMPZSA-N	506.536	3.746	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	409051607	DIBHHHIEQSMSTA-ASSGYOTOSA-N	517.651	3.716	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409059993	UBFUEMGZISFDMM-ABBNRAPFSA-N	577.703	3.733	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	59888628	ZBDPDKXCIQVDLE-UHFFFAOYSA-N	553.681	3.873	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCC	96193406	SDPYMIDTEFRSRN-YVLHZVERSA-N	508.394	3.700	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	97964503	WTTLBWMONMYGAU-HELPIZENSA-N	528.015	3.995	10	40	KHCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147690	VCFKCSDPGMHYEK-IZZNHLLZSA-N	519.671	3.800	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408898115	KQTCJJUPQXYLEA-UDWIEESQSA-N	629.441	3.987	10	40	KHCB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)c(OC)c1	408978892	OGFHJNSBUXTWDR-YNMQQHPQSA-N	554.672	3.957	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	409059776	OIIUVFABPKJYKV-UOOXJCEYSA-N	569.658	3.911	10	40	KHCB	
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cnccn3)c3ccccc32)S1	409335149	NWTFNMUDTMRXON-UHFFFAOYSA-N	513.622	3.992	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	2049554	DOCCKRGDBKLDJK-ZGOFBEGVSA-N	571.655	3.913	10	40	KHCB	
C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCC(C(N)=O)(N2CCCCC2)CC1	2801178	OMYUGTVHKVJDCI-SDXDJHTJSA-N	520.581	3.641	10	40	KHCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O	102588296	AHSLJXMAJMMEQK-LYPXWFNGSA-N	500.433	3.868	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1	408754751	HZSMTEDVGPLCGT-HAHDFKILSA-N	501.564	3.852	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Cc1cc(C)cc(C)c1	408877345	VAIKODFFYBMGIH-UHFFFAOYSA-N	520.392	3.812	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	408914980	SMJNLXITHOFIFW-MKMNVTDBSA-N	570.165	3.959	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409046140	IVCOSMLBWHPNMY-HYARGMPZSA-N	515.522	3.783	10	40	KHCB	
Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1C	409256342	NVNCEFVEBJDHMD-UHFFFAOYSA-N	551.191	3.595	10	40	KHCB	
CCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	9461236	SLVGJIKYFXUXPK-CAPFRKAQSA-N	509.632	3.771	10	40	KHCB	
Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	13130141	YJFFIXLJYYXWQT-FQEVSTJZSA-N	502.662	3.829	10	40	KHCB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1	43766955	UJXRVGKHBXEYSS-JCHYSQADSA-N	505.534	3.670	10	40	KHCB	
CCOC(=O)Oc1c2c(c(OC(=O)OCC)c3c1C(=O)c1cccc(O)c1C3=O)[C@@H](OC(=O)OCC)C[C@](O)(C(C)=O)C2	77319757	CJCLTLJGYVYVPZ-ADKRDUOOSA-N	600.529	3.719	10	40	KHCB	in-vitro
O=C(O)CN1C(=O)/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S	97957613	HZEPTARESGVFJB-NTEUORMPSA-N	518.370	3.535	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	108019234	WGLTZMBPXRIVNZ-UHFFFAOYSA-N	523.655	3.552	10	40	KHCB	
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	108447394	FLCMQBPEEHBKIL-MRXNPFEDSA-N	557.511	3.885	10	40	KHCB	biogenic
COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)O)o2)c1	408632483	JDWRVUWSNAIDME-KEBDBYFISA-N	514.516	3.716	10	40	KHCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1	408947916	DOOKIRGXGUPMKS-KEBDBYFISA-N	501.495	3.584	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC(=O)OC)c(I)c3)C2=O)cc1	408983613	MWCDEFBCWCLUIZ-NVNXTCNLSA-N	660.202	3.676	10	40	KHCB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2=O)=N1	409034110	HGBBJXKWMGYOPX-BIWBSIMWSA-N	627.119	3.985	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	20129870	XOOFMOSSQNDFOK-FXBPSFAMSA-N	505.669	3.628	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	97947599	PDTXLYOTDYQHRO-OGRZUZBBSA-N	557.628	3.677	10	40	KHCB	
O=C(Cn1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c2ccccc21)N1CCOCC1	97959496	AKVKHZNKSNCKCR-NDENLUEZSA-N	537.370	3.769	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1	108449152	BSXNYQMPWNKHDV-MHZLTWQESA-N	616.715	3.632	10	40	KHCB	biogenic
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1O	409176600	SHXUZRANWFZJEF-NTEUORMPSA-N	512.350	3.552	10	40	KHCB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc3c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3)O[C@H]2c1ccc(O)cc1	1772591276	QGJBBIADDAZUFQ-VOARWXHKSA-N	558.495	3.562	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc(OC)c1OC	4177307	FIEDTQRUMWYMJP-PDGQHHTCSA-N	561.707	3.982	10	40	KHCB	
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	9540994	IEBXMNYHZHSMGC-HMMYKYKNSA-N	509.632	3.690	10	40	KHCB	
Cc1cc(C)cc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	20206101	FPXQIKZHYHLADU-OEMPCWLZSA-N	512.613	3.773	10	40	KHCB	
CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1Nc1ccccc1	33358267	QQRRRKURJQHHJY-ABHBNJMISA-N	555.685	3.869	10	40	KHCB	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(Cl)cc1	1804915	YCQWGITXBUWKTP-VJWVTMRQSA-N	512.012	3.864	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	100460375	GMLTVVBGPFFCJM-VZUCSPMQSA-N	594.530	3.921	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1	408781109	AILDCEDATCOVBJ-NLRVBDNBSA-N	514.582	3.996	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1	409260151	LOEOGYNSRFSAMD-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	8858071	ZXROVDVLIAQTNI-STZFKDTASA-N	523.659	3.685	10	40	KHCB	
O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Nc1ccccc1Br	25389984	JGDYOHWJPKRLSN-UHFFFAOYSA-N	509.268	3.928	10	40	KHCB	
CCCN1C(=O)/C(=c2\s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2-c2ccccc2)SC1=S	100181437	GFTIHFVMSWYWTK-OWQPAALXSA-N	505.690	3.939	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	101394585	KFBXWPIVWDZIJJ-WFFRMWFSSA-N	540.623	3.833	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(I)cc4)no3)CC2)cc1	225839813	SLYBEOOEHRAUPJ-UHFFFAOYSA-N	518.355	3.631	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408947245	ZWNRRHUKBJKSCG-UDWIEESQSA-N	518.438	3.757	10	40	KHCB	
CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6077455	FTZCASYCYSJBJT-QFIPXVFZSA-N	538.674	3.592	10	40	KHCB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H](C)O)cc1	13128959	VIQREZGORXMXTH-VATUOYKKSA-N	510.572	3.620	10	40	KHCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c(C)c1	20205874	PQPZGDXIJWRLLI-VZKFJVGXSA-N	521.624	3.958	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)c1C	409228379	YBJCVLQKXCHYOR-HYARGMPZSA-N	516.554	3.729	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCc1ccc(C)cc1	20206013	RJMBRJJUCYJDRK-OUQLGABESA-N	519.004	3.857	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@]21SC(=S)N(Cc2ccccc2)C1=O	106015585	QRDCMAVLQDFTAH-COFKYPDJSA-N	518.639	3.921	10	40	KHCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778038	LXCISFSQAWAWDL-DIBXZPPDSA-N	576.719	3.972	10	40	KHCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	16282428	HYPSXSLGNWWVRX-YBEGLDIGSA-N	515.751	3.762	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3c(NCCCN4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1	97946313	SFIAJXNVHSULPM-QJOMJCCJSA-N	565.721	3.547	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(I)c1O	100282359	GUEHWHYYCGCTCY-QPEQYQDCSA-N	529.128	3.619	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408890085	NNNYPHBQHQZGCC-FYJGNVAPSA-N	551.533	3.736	10	40	KHCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409014243	HOXNWUGRPROBDJ-LFVJCYFKSA-N	529.549	3.810	10	40	KHCB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19972954	KRVYRXISFGVUGV-RUZDIDTESA-N	501.635	3.752	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(Br)cc21	408529270	HIIFOXLXACQZBO-KAMYIIQDSA-N	532.782	3.838	10	40	KHCB	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1	8857986	DPCYLXZOBBDARM-RGEXLXHISA-N	512.060	3.501	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)C2=O)cc1	59484162	FPTXXNXXERVRPM-ZSOIEALJSA-N	510.138	3.982	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC4(CC3)OCCO4)nc12	97947226	VNBWXWXZWPOWQY-LTGZKZEYSA-N	534.663	3.748	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	103776865	FXKWVJKZOFVETQ-CSJROMOCSA-N	541.677	3.667	10	40	KHCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(I)c3)C2=O)c1	408740282	JUWXXHIECBTWLI-WUXMJOGZSA-N	527.112	3.734	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409260971	ZDCBVVAJQWQOSE-MOSHPQCFSA-N	530.493	3.596	10	40	KHCB	
COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)c1	6074562	XCIOCBLGMNHEHK-GDLZYMKVSA-N	556.667	3.966	10	40	KHCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)SC2=S)c(Cl)c1	9235482	HNMVRBDEZGFKON-XDHOZWIPSA-N	519.004	3.939	10	40	KHCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1	9345266	ASHDGVUXENGYKZ-ICALIKLASA-N	517.567	3.546	10	40	KHCB	
COc1cccc([C@@H]2N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)c1O	9971930	MNQQJSUXXYLZJS-UBRKHCEVSA-N	525.561	3.707	10	40	KHCB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	19940350	HYFGHSDIFFGDQM-HHHXNRCGSA-N	529.645	3.949	10	40	KHCB	
Cc1cccc(C)c1OCCn1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21	20205882	ZMHUBKYUYVNJFS-VZKFJVGXSA-N	521.624	3.958	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409056294	CHIFCCDALOWBEW-CSJROMOCSA-N	547.677	3.806	10	40	KHCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	409374678	WMHKHTYBBIPLBK-VCHYOVAHSA-N	525.311	3.981	10	40	KHCB	
CCOC(=O)C(=O)N1c2c(C)cccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C	9065315	DIAGLVDZPOALBL-UHFFFAOYSA-N	521.638	3.759	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)CC1	97946688	ZWWJRTGZOMWUQB-NKFKGCMQSA-N	578.716	3.927	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1	409067457	QWRWFKXWOJVKCI-KGENOOAVSA-N	512.927	3.783	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)c(Br)c1O	409374692	WTYHTLUKCNTLBH-IZZDOVSWSA-N	514.126	3.571	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)O	409400089	ORGCOAPNNVLCHC-HOXUKUGESA-N	509.740	3.815	10	40	KHCB	
O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)S3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1	2071284	QLBQABXBCHLAEF-LRVMPXQBSA-N	550.578	3.761	10	40	KHCB	
COc1cc(Br)c(Br)c([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O	9186607	XOPSHRVEBZDZOT-HNNXBMFYSA-N	503.216	3.829	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223678200	IRMFJJLCXFPGNE-SVBPBHIXSA-N	519.671	3.861	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)O	409398418	ANNWMLWWSLASKP-GARZTLJTSA-N	540.164	3.534	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)SC1=S)N1CCCCC1	101002463	XIFFPNGUDDBMHG-FMQUCBEESA-N	568.812	3.504	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O	101484060	VUSUOUCIDZIQSR-BHDDXSALSA-N	500.438	3.737	10	40	KHCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC	408782271	GOIOLUZFRMPNOM-CXUHLZMHSA-N	506.296	3.592	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1	409067169	BTDNOUWYHLDFAQ-CPNJWEJPSA-N	500.891	3.913	10	40	KHCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1	409226116	OWUILZHUMFZXQH-XKZIYDEJSA-N	500.467	3.587	10	40	KHCB	
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(N(C)C)cc1	6135985	KCHMHYZEDILPKD-RUZDIDTESA-N	558.664	3.603	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	6599846	BPKDILXPVPYCLA-HJOGWXRNSA-N	525.513	3.567	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(I)cc1	68583226	DNTXTJGGRYDNDG-HKBOAZHASA-N	549.320	3.986	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	103593767	IOAPNTJSFOZYLM-GQZSXMDHSA-N	543.583	3.584	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)OC	103859317	DQNKJEAUEULDQL-OVCLIPMQSA-N	582.201	3.829	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccc(F)cc2)cc1	408546290	DNPFKUGOOYGYRN-UHFFFAOYSA-N	527.618	3.777	10	40	KHCB	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1	1209299	PZQJQLZXQGTVEI-HKWRFOASSA-N	508.625	3.723	10	40	KHCB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	6195587	YROJZVWQGPCVAU-XMMPIXPASA-N	534.686	3.954	10	40	KHCB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N(C)C1=O	8443180	JETWMFPBPVAVDL-UHFFFAOYSA-N	602.166	3.909	10	40	KHCB	
CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8777991	HJWIJKQDRSFOPW-OYKKKHCWSA-N	613.534	3.564	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497243	DAQIPXSMDBEFHF-SJJVXOANSA-N	535.666	3.662	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1	223186959	RQRBUBWOPMMPOE-CLJLJLNGSA-N	519.671	3.882	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	409052326	CPLAOQAORUVIAD-OGRZUZBBSA-N	517.651	3.797	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	409269671	LJIRLRWCTBUJOH-BKUYFWCQSA-N	514.494	3.896	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)OC(C)C	409399034	FKTLJUBJQLCBNK-DHDCSXOGSA-N	523.767	3.903	10	40	KHCB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(C(C)C)CCCN(C(C)=O)c2cc(F)ccc2C1	643558094	IWZXXRCXZPWHFT-UHFFFAOYSA-N	526.653	3.780	10	40	KHCB	
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1C	30726591	UWFHMSHDOLMFBH-AERNQAQFSA-N	506.653	3.600	10	40	KHCB	
COc1c(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	70672201	VVTLLWDLUBWXFI-HAHDFKILSA-N	559.550	3.540	10	40	KHCB	biogenic
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	164396084	HBVAHUDMKJZGFN-KPKJPENVSA-N	633.233	3.966	10	40	KHCB	
O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1	408555338	XBIRXXYAZGDIBC-UHFFFAOYSA-N	513.131	3.523	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O	408984062	POARWTCIXFDVCQ-XGICHPGQSA-N	512.687	3.634	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409055932	BTQRMVGSCIBASD-QTTRZTASSA-N	577.703	3.814	10	40	KHCB	
CCOc1cc(CN(CCCO)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN1CCOCC1	2037924054	GAOHXRLOHJYYBW-MHZLTWQESA-N	539.717	3.613	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	6135847	IXTNKWDUDGMMTP-QHCPKHFHSA-N	538.649	3.866	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1	97946687	XCFCBDZKEXJONA-MOHJPFBDSA-N	608.742	3.935	10	40	KHCB	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccc(OC(F)F)c(OC)c4)c(=O)n32)cc1	100936009	PBTPFZVKFALCOG-NLZIUFDSSA-N	557.619	3.864	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	408853542	VCXIRUHBDQIOJR-ZDQFFALBSA-N	505.640	3.652	10	40	KHCB	
CCOc1cccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1OCC(=O)O	409200130	QLQYVKKGUUUQJI-OCKHKDLRSA-N	516.641	3.998	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccccc1Cl	409264678	RCVXUYXAGULRCK-UNOMPAQXSA-N	520.885	3.932	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br	409342503	DPARIZXTNOXBGD-UNOMPAQXSA-N	547.387	3.869	10	40	KHCB	
O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])Nc1ccccc1	409401379	XNCJHHBVWVLUPO-UNOMPAQXSA-N	537.326	3.836	10	40	KHCB	
CCOc1ccccc1N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1	20061122	YZENWEGLEAMCSY-UHFFFAOYSA-N	509.628	3.638	10	40	KHCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c(C)c1	41077862	XRUSZDBNJHEHBM-VZKFJVGXSA-N	521.624	3.958	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59249552	GDVXDIRHUWUNRI-RGVLZGJSSA-N	507.886	3.810	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)C2=O)cc1	100159834	KSJNWNJAWAOCNB-VGOFMYFVSA-N	552.175	3.904	10	40	KHCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Br)cc1	101394700	UZGHOUFKBRNYQH-WMYZHHRISA-N	547.412	3.598	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC(=O)O	408751604	AIWHSGAUEZCNKM-AWNIVKPZSA-N	568.174	3.658	10	40	KHCB	
CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC	409191852	OTTOOYYZJFBNMQ-OQLLNIDSSA-N	519.373	3.776	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409217212	AKNKIGOUCLAHPO-RGVLZGJSSA-N	627.391	3.998	10	40	KHCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1	8870115	VSUPTDJILCYZMW-JLDPKJTDSA-N	509.609	3.580	10	40	KHCB	
COc1ccc(N2CCN(C(=O)Cn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)CC2)cc1	96115469	WRMGCMCACMDTQA-UHFFFAOYSA-N	519.605	3.932	10	40	KHCB	biogenic
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	103596362	JYSQEQFVMBRNAB-ZKZDLDBDSA-N	511.007	3.616	10	40	KHCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1	207987567	GKFSCVBFPKWJSS-YVLHZVERSA-N	508.337	3.985	10	40	KHCB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1	6077690	JTXPDJNBZMOALF-SANMLTNESA-N	547.660	3.597	10	40	KHCB	
CCc1cccc2c(/C=C3\C(=O)N(CC)c4ccc(S(=O)(=O)N5CCOCC5)cc43)cn(CC(=O)N3CCCC3)c12	8778076	CJHSIHYGLZHPJX-IMRQLAEWSA-N	576.719	3.754	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	97964504	BJDGKKXNBWJKSA-QDLOHUEYSA-N	528.015	3.995	10	40	KHCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	409048127	QHTNWMQRCLTDGQ-FYJGNVAPSA-N	500.467	3.587	10	40	KHCB	
CCOc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O	726001	GANWEZAUXOECNY-XNTDXEJSSA-N	513.129	3.914	10	40	KHCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)cc1Cl	9161330	GHIGOEVVZFJPMV-QFUYOXOXSA-N	525.034	3.924	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cccc(OC)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	20061167	DXUWAWJNIQPRBC-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	409055053	HVZHHUYUEZMEAQ-MTJSOVHGSA-N	530.493	3.596	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1	409273282	WWUBADBYSBEKAG-DHDCSXOGSA-N	526.377	3.806	10	40	KHCB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(C(C)C)CCCN(S(C)(=O)=O)c2cc(Cl)ccc2C1	643559842	FAVAFPZNQHLIEC-UHFFFAOYSA-N	579.163	3.708	10	40	KHCB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	6193924	ISVNSPHNLRTTTE-XMMPIXPASA-N	534.686	3.954	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	103844822	RDJQMTSALPCNFA-GIJQJNRQSA-N	594.374	3.870	10	40	KHCB	
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1OC	225479538	OYMBHCXWMNSWLE-MOHJPFBDSA-N	520.655	3.604	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409071719	PFUQJTODTMISLD-AHNSQEAUSA-N	595.677	3.501	10	40	KHCB	
CN1C(=O)/C(=C\c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C(=O)NC1=S	409161786	PRNCEXAKPLRFIZ-YBEGLDIGSA-N	502.365	3.878	10	40	KHCB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(O)c1	902619	YRCLDDHQJJGIBZ-HHHXNRCGSA-N	515.570	3.772	10	40	KHCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)CC2)cc1	26108690	RTJPPYOJZDJLOF-UHFFFAOYSA-N	526.486	3.893	10	40	KHCB	
COc1cc(C)ccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl	97964416	PKMMLZRLFCIFSQ-GZYMTNKHSA-N	549.030	3.736	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1	100329560	UPVBNWUQPZRJIB-NDEPHWFRSA-N	587.656	3.959	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C(=O)NC1=S	408855007	LSBRKGGPVXGXMH-NTEUORMPSA-N	555.248	3.781	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)O)cc1	2955084	SVMVUBXRVDWDAD-LDADJPATSA-N	506.511	3.943	10	40	KHCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1	103596395	BKFHVUFFUUCWEK-DTNFBPRUSA-N	504.616	3.579	10	40	KHCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	223255204	KMNZBWQMQWKICY-RRPNLBNLSA-N	504.704	3.860	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)OC	409377575	JAVROPPDMCYKMI-LICLKQGHSA-N	547.427	3.793	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S	97947269	IZQRMDAQUPPCGA-XLNRJJMWSA-N	553.685	3.706	10	40	KHCB	
COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336397	KESCJWUBFJOTMD-IRPSRAIASA-N	542.640	3.576	10	40	KHCB	
COc1c(I)cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1I	104660644	ULRYRBUFPCHKAS-UHFFFAOYSA-N	540.091	3.658	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)ccc1Br	408527307	DHNLCDOTGSOOLC-RELWKKBWSA-N	644.530	3.853	10	40	KHCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)c1	409251853	QONBPLRNXPTPSJ-LPYMAVHISA-N	516.554	3.729	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Br)cc1	9720802	MOZDHXAAUFRSEI-UYRXBGFRSA-N	502.390	3.961	10	40	KHCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)C2=O)cc1	409241228	JPEFMGCZMWCRMG-LPYMAVHISA-N	504.568	3.877	10	40	KHCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(I)cc1	103860226	SMUKLGQTUJCHRV-NTEUORMPSA-N	513.154	3.885	10	40	KHCB	
COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	408535004	XCKBIXRTQDHQGF-HMMYKYKNSA-N	520.567	3.692	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409062240	QLRCRVODNZXBPZ-KMBIYUNPSA-N	531.634	3.517	10	40	KHCB	
CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)SC1=S	409383549	WSFRLNUMZBRDGL-WDZFZDKYSA-N	589.214	3.669	10	40	KHCB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(F)(F)F	408678101	BIGBCHXZXFOQBI-LVCYWYKZSA-N	500.473	3.750	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408808256	DRWJLMAIEDXLRL-QGMBQPNBSA-N	507.886	3.841	10	40	KHCB	
COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)SC2=S)cc1	409137828	YFOIAGXVDLUFSV-UCQKPKSFSA-N	507.637	3.910	10	40	KHCB	
Cc1cc(C)nc(N2CCC(C(=O)N3CCOc4ccc(N5CCOCC5)cc4Cc4cccc(c4)C(=O)N(C)CC3)CC2)n1	643567978	CMGPEVHJWCDWBZ-UHFFFAOYSA-N	612.775	3.730	10	40	KHCB	
Cc1ccc(C)n1-c1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CN(c3ccccc3F)CCN21	9430061	XOQOKNZJKNGNSM-VWLOTQADSA-N	515.589	3.521	10	40	KHCB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCCC2)cc1	13612205	JJBNMOJLEDIYNM-UHFFFAOYSA-N	525.602	3.709	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	20083372	AXCZSGGTYLHURQ-RUZDIDTESA-N	501.635	3.807	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	97964738	XQVGTSPRSXNAFH-HFUGBDTNSA-N	547.014	3.969	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2cc(C)cc(C)c2)cc1OC	100074381	MAUGHZJHRPZQDP-UHFFFAOYSA-N	553.681	3.669	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccc(C)cn3c2=O)SC1=S	104195036	JTNRSYSPDHJULU-UCQKPKSFSA-N	563.705	3.665	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)SC1=S)Nc1ccc(O)c(C(=O)O)c1	150469890	ZJJGFBFLLZXALH-QURGRASLSA-N	704.786	3.564	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408536243	QRGRPYPWHTWADN-LTRZOUJXSA-N	543.488	3.897	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408937259	IPELDWVMXHCKGQ-UDWIEESQSA-N	517.450	3.547	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C	409252368	DJXOCVUGABBQQD-ODLFYWEKSA-N	627.391	3.998	10	40	KHCB	
CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	95471021	OYQXXEGWCLNEIB-KQWNVCNZSA-N	520.567	3.773	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(=O)c1cccs1	96193342	YBRSDJZZHYUIEK-UYRXBGFRSA-N	511.581	3.820	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408725312	HASCOZIKELQXLC-LXYLXTGBSA-N	586.626	3.843	10	40	KHCB	
O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408758124	GUYFQWJTZJPOJD-AUWJEWJLSA-N	501.361	3.614	10	40	KHCB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1	6134436	PAMDAHURISDIRO-XMMPIXPASA-N	552.701	3.839	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100533132	VLVYOFBAIFHLJN-LJJBLSSYSA-N	556.482	3.635	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	408856346	HMDYIVGXISGHAJ-XYOKQWHBSA-N	515.147	3.852	10	40	KHCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408964090	BOKLCIZYDOOBEU-VCHYOVAHSA-N	549.461	3.880	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)cc4C)N=C3C)cc2)nc(OC)n1	100507606	ZBGOMRBIQQCANZ-XSFVSMFZSA-N	522.587	3.630	10	40	KHCB	
Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	100762049	KBSGVGTYVCVDAO-ZKFYFQMZSA-N	561.733	3.705	10	40	KHCB	
COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1	101118543	JJHNQZHLLWYBCQ-MDHMIDBASA-N	533.610	3.785	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccc(C)cc1	101393639	IKVHKUIFBKGRDY-JTPDXPAISA-N	549.030	3.736	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)cc1	408856473	KAMXQKFILHNKAX-KPKJPENVSA-N	531.100	3.712	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	2049426	NPRGGSHQANOTBO-ZGOFBEGVSA-N	565.692	3.757	10	40	KHCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)c1	59248543	COJCITCGPBXPCZ-WSDLNYQXSA-N	517.494	3.556	10	40	KHCB	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1	97946798	SCHCQYLRTORWTI-ISXGRJCASA-N	573.743	3.721	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1cccc(C)c1	97964725	FRPYMIIVZHBAJI-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	409183653	CUBVNUVXHORVNX-UQQQWYQISA-N	520.607	3.982	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	409374619	VDYKNOWCROMOQQ-GIJQJNRQSA-N	510.886	3.881	10	40	KHCB	
O=C(C[C@@H]1[C@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccccc3)c(O)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]21)c1cc(O)c(O)c(O)c1	1857787532	FXCKTDPHONCAKY-PYWOEMDFSA-N	872.741	3.681	10	40	KHCB	
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100414996	NAEAGECPLDSEMC-XPWALMASSA-N	514.921	3.994	10	40	KHCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	408850538	BPVIQAPTMGUQBQ-BIXPWFSUSA-N	568.655	3.728	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2=O)cc1	409256638	PUSONAXPATZMHD-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6135931	MWZIVTPNYWSJPZ-XMMPIXPASA-N	552.676	3.862	10	40	KHCB	
COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108449897	DBOOAVZEXFQNDE-AWEZNQCLSA-N	532.457	3.789	10	40	KHCB	biogenic
Cc1cc(C(=O)COC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1F	3279493	LUFLIKUZAAKTPJ-UHFFFAOYSA-N	510.507	3.856	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1	100336486	BBXHOUDOEMUNCP-IRPSRAIASA-N	544.631	3.702	10	40	KHCB	
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O	150604158	WLTQBCHZGCWANC-NTUHNPAUSA-N	671.998	3.970	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	408779490	XKPOEQLTLYYQNL-AWNIVKPZSA-N	619.593	3.925	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1OCC	408932695	DOXPSGUGAXIFBW-HYIDZWCSSA-N	586.508	3.644	10	40	KHCB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1565524915	XLCWKYBXMKQINL-PWUYWRBVSA-N	522.605	3.689	10	40	KHCB	
COc1cc(CCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC	12581765	TVYSHCCNNQCPCI-UHFFFAOYSA-N	503.507	3.602	10	40	KHCB	
Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	13646771	JZGADWSNGPFMSE-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(F)cc3)CC2)cc1	20766943	CNYAXMPGDKILMU-UHFFFAOYSA-N	509.603	3.938	10	40	KHCB	
CCOC(=O)[C@@H](C(=O)C(=O)Nc1nc2ccccc2s1)c1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O	103860132	IYCDLYGOBNKLBL-HXUWFJFHSA-N	566.551	3.575	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1	408588156	CSKJGUNWLGDVAN-VWLOTQADSA-N	558.498	3.696	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	408811821	RSYYUFNNDWYNLP-XNTDXEJSSA-N	506.296	3.755	10	40	KHCB	
CCCCCCN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	8858378	PAAQVNUEMHYUTP-ZPHPHTNESA-N	529.688	3.755	10	40	KHCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1[C@H]1CCS(=O)(=O)C1	97946609	YKQHFYJQDCCGFI-CVHFWEDTSA-N	539.660	3.699	10	40	KHCB	
CCOC(=O)/C=c1\s/c(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)c(=O)n1CC(=O)NCc1ccccc1	102924425	ZZROLDFNIYCHII-PLEJDJFOSA-N	565.695	3.959	10	40	KHCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCc2ccc(S(N)(=O)=O)cc2)cc1	103921764	XWXTVSJTTQVVSY-ULJHMMPZSA-N	547.662	3.810	10	40	KHCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21	409127447	QCHXTHDSJBBLQS-OSSOMXAKSA-N	538.489	3.547	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409146499	TWWMECGXHQICCK-YOKWNPFVSA-N	585.480	3.843	10	40	KHCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)c(Cl)cc1Cl	10113390	VVZVVJOJCLLYMJ-UHFFFAOYSA-N	506.839	3.566	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	41084056	IXQSEXQQZUJADM-COGBYSKYSA-N	512.613	3.854	10	40	KHCB	
COc1ccc(OC)c(C(=O)COC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2O)c1	102927001	CGMANEZDRMOCCA-UHFFFAOYSA-N	550.929	3.812	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223640670	RJBPNAXEEVBXHR-SXOMAYOGSA-N	519.671	3.861	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408732962	UQQJECXRRDXXEX-FBHQFGEZSA-N	526.456	3.736	10	40	KHCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	100915238	RXQIUDLJDRSYBA-SCWSXOCZSA-N	526.621	3.836	10	40	KHCB	
CC(=O)Oc1c(I)cc(I)cc1C=C1C(=O)OC2(CCCC2)OC1=O	104660825	WHDRKDVJSGCEMF-UHFFFAOYSA-N	568.101	3.575	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	408927530	WPBFKTGJGTWKES-UHFFFAOYSA-N	590.098	3.919	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(C)cc4)C(C)=C3C(=O)OC)o2)cc1	409015902	CHYWRWZAMAVTGW-PCLIKHOPSA-N	571.586	3.897	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c(OC)c1	8451796	UZKACOSJROAADZ-UDWIEESQSA-N	519.579	3.949	10	40	KHCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C	9266569	CDMDMOKTLQOQOA-YFIZFCHVSA-N	525.034	3.924	10	40	KHCB	
Cc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)[nH]c2c1	96220868	NJSJJTXYNMWFPF-CQSZACIVSA-N	513.458	3.873	10	40	KHCB	biogenic
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2cccnc2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106021819	XHTUBOCAXFEDEN-KKVCJECGSA-N	548.665	3.930	10	40	KHCB	
CCCCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S	409252749	DMKLGISLTRZMFC-ATVHPVEESA-N	529.478	3.697	10	40	KHCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	409379609	YLFVHQLTUYQOGZ-LICLKQGHSA-N	502.976	3.684	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=N)N21	20206039	XJJQYQDDLGHIIN-VHARHKTESA-N	507.597	3.732	10	40	KHCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3c(O)ccc4ccccc34)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408730294	FMWNMBKTWTXBCI-SJJVXOANSA-N	513.619	3.832	10	40	KHCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	408765221	KSNZGDKDIJNQAM-VGOFMYFVSA-N	537.750	3.638	10	40	KHCB	
CC(C)Cc1cc(C(=O)N2CCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C(=O)N(C)CC2)n(C)n1	643589070	PXCOXCLGRXCMCA-UHFFFAOYSA-N	559.711	3.653	10	40	KHCB	
CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	16742492	PZRGOYJOWPTFGO-XDHOZWIPSA-N	513.622	3.619	10	40	KHCB	
Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1C	20206123	NVFQMLYDWWKXQE-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C	41077950	MXGVNSZUKSBBDQ-UHFFFAOYSA-N	519.417	3.837	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)c(C)cc1Br	408532318	MIKWZVWUXYKHPA-SDNWHVSQSA-N	539.390	3.827	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)c1	408952593	LXKWLTFLPPMSIE-WUXMJOGZSA-N	515.101	3.930	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1	409069569	JSMGHCPTPJUDJX-WOJGMQOQSA-N	572.349	3.791	10	40	KHCB	
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)NC1=S	409168419	RDINQKBNDKCQMJ-GHRIWEEISA-N	529.359	3.922	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)O)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2070407	JDIIUSBKJMCEOS-GTWFGUSFSA-N	557.628	3.823	10	40	KHCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1	27023104	CKEYGXSNCUOZMS-IAFWPLRWSA-N	511.650	3.936	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1	97964775	PQINDLGRYDTLCP-OEMPCWLZSA-N	528.612	3.554	10	40	KHCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)c1	97964839	GCSGNQWOGYGXSL-XSHSNWJLSA-N	529.644	3.759	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)O	100276422	FDJYZCPLHSDYFB-RGZVIEDOSA-N	519.373	3.531	10	40	KHCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)SC2=S)cc1	409347501	QFGVVDLJOHUGPG-MHWRWJLKSA-N	556.403	3.863	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1	409399194	GIZCBUPZLNSCEM-ODLFYWEKSA-N	522.901	3.736	10	40	KHCB	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	9461583	BAGGBOZHXYOIAL-LSPINASFSA-N	502.662	3.610	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100323973	WDRAATCJICGSLG-VJBWXMMDSA-N	513.477	3.698	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408889890	KPBGTFKOZJKXFC-PXLXIMEGSA-N	564.572	3.614	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	108996794	JJFPCJYJBBVXNK-LMSRTUJASA-N	535.666	3.660	10	40	KHCB	
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1	408553650	OYFVAPOCGSGDEZ-UHFFFAOYSA-N	529.199	3.688	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc6c(c5)OCO6)c4C)c(=O)n32)cc1OCC	408936301	PBVFBYXIENIQAQ-NHFJQHJOSA-N	601.681	3.952	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)OC	409376093	UHDFLEYBUAUYRQ-LICLKQGHSA-N	547.427	3.793	10	40	KHCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	103856783	XCNYJEOKZXDNDV-UHFFFAOYSA-N	520.361	3.544	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C(=O)NC2=S)c(OC)c1	409097863	MTWSVSJLCBZZQQ-YBFXNURJSA-N	536.566	3.859	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1	409383025	SWVSLICDALYGCE-RCCKNPSSSA-N	545.548	3.786	10	40	KHCB	
COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC	408530628	FKIIYDVPTJYKRI-MOSHPQCFSA-N	516.506	3.906	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C2=O)cc1OC	409136598	XSAUKLAZFSPNMJ-OQKWZONESA-N	550.589	3.914	10	40	KHCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)SC2=S)cc1	409199556	OXUIDOONLJOZHU-JCMHNJIXSA-N	514.625	3.737	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399430	IQGNFWSFHWCLIK-MTJSOVHGSA-N	520.498	3.712	10	40	KHCB	
COc1cc([C@@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O	604405448	SXZZXCRSTVDRPZ-RPWUZVMVSA-N	535.641	3.909	10	40	KHCB	biogenic
CCOC(=O)c1cc(Cl)cc2c(=O)c3c([nH]c12)C(=O)c1c([nH]c2c(C(=O)OCC)cc(Cl)cc2c1=O)C3=O	5386043	KHDVIDVGVMKSKB-UHFFFAOYSA-N	555.326	3.805	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1	97964737	VWEMPSBRJUIYRX-NWSLSDTJSA-N	526.596	3.624	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1	100087692	SNNSPESZQLUUFV-UHFFFAOYSA-N	530.046	3.697	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc([N+](=O)[O-])c1O	408851077	HKIVECCXBPHVRO-UDWIEESQSA-N	503.467	3.945	10	40	KHCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	408981788	BUSSSDRVZAISNR-AUWJEWJLSA-N	507.724	3.629	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Br)c3)C2=O)cc1	409384174	AROSWSPTHCWTKS-BKUYFWCQSA-N	608.401	3.928	10	40	KHCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)c(Cl)c3)C(=O)N=C2S1	97964494	CMBNVKQGTUJLAX-NLLXLZEUSA-N	523.379	3.834	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	97964675	OCXICPFQZMPJPD-OWQXJLPTSA-N	537.627	3.712	10	40	KHCB	
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCN1CCN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	150436287	DHIUDAMUHHIDBN-YJKAXRSRSA-N	677.946	3.563	10	40	KHCB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)c1	409055905	FMGOVQVCKRGLRS-SJJVXOANSA-N	517.651	3.796	10	40	KHCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)N3CCOCC3)SC2=S)c1	409091073	SXUIHYHIIOQRLL-XDHOZWIPSA-N	519.000	3.682	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8443363	HTAIITAAZBRIHK-LYRGBEMXSA-N	586.508	3.644	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3c(C)cccn3c2=O)SC1=S	100863115	URTLBUZHXGTUDX-XLNRJJMWSA-N	535.695	3.949	10	40	KHCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)cc(I)c1O	103849015	XXDUHEJWTZVWMG-SDQBBNPISA-N	531.075	3.565	10	40	KHCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223164755	DCOOCWNBMJVLFM-FTJBHMTQSA-N	519.671	3.580	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408536387	REYJFNYKUHLICR-HYARGMPZSA-N	516.506	3.988	10	40	KHCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	409093316	ZYOUHGOZTGARNJ-CXUHLZMHSA-N	592.820	3.827	10	40	KHCB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)cc1C	6280315	SLTSGYGFOKYHJY-QFIPXVFZSA-N	522.675	3.810	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409248075	FUZFJNOGAMABIX-WQRHYEAKSA-N	553.456	3.690	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1OC(C)C	409389852	CLZHMOLCWVQTKM-OQLLNIDSSA-N	521.311	3.539	10	40	KHCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	408769368	SCTNBHDCBMOUCD-WOJGMQOQSA-N	501.333	3.674	10	40	KHCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)c1	408775102	YXDIGQUIWUWGTH-MKMNVTDBSA-N	507.724	3.849	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC	409250533	QVLSSOLCDKCMQG-ZROIWOOFSA-N	522.364	3.838	10	40	KHCB	
O=S(=O)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)c1nnc(-c2ccccc2Cl)s1	16450656	BITFTLZSKHSDMG-UHFFFAOYSA-N	500.794	3.538	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2cc3c(cc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n3C)C1=O	408533616	ONXQDJHNMWQBBK-PYCFMQQDSA-N	644.530	3.853	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(C)cc1	408831646	HAMSOUFBUUDFGK-XXMKCSCWSA-N	505.640	3.659	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCC(=O)O	408847649	NXAZSUQJSJTHJV-LZYBPNLTSA-N	517.332	3.594	10	40	KHCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409079589	LCTQLQZCWBOYNZ-GZTJUZNOSA-N	572.402	3.564	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409094049	BRYSQWLUYRUWCE-KMBIYUNPSA-N	613.578	3.949	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC	409382175	PPQJVJXUUXCTMF-RGEXLXHISA-N	517.563	3.553	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1	409399149	GCXJGXVINIZUDK-BKUYFWCQSA-N	516.510	3.781	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3Cc3ccco3)CC2)cc1	1381878	HCTKDLXNFFBNQG-MHZLTWQESA-N	525.613	3.693	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	6442225	ANXJWZSIBKLSEQ-HSZRJFAPSA-N	520.659	3.646	10	40	KHCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c([N+](=O)[O-])c1	14273734	VWQVHKQMKDDXPM-UHFFFAOYSA-N	511.516	3.609	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	33353618	MJMVWGYFFGWMAZ-MTJSOVHGSA-N	561.410	3.986	10	40	KHCB	
Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	100762859	XFUVDCNDHOQQBB-SOFYTKRASA-N	536.635	3.724	10	40	KHCB	
O=C1[C@@H]2[C@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101099801	HUMWITYZDYGYGP-ACRUOGEOSA-N	594.317	3.895	10	40	KHCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I	103849560	CJRGUUBENMUZMD-WUXMJOGZSA-N	545.102	3.868	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408551880	NEKMQYIBCIQGGD-UHFFFAOYSA-N	604.184	3.764	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1	408884091	SPRVKRYNGDOHSK-PXLXIMEGSA-N	536.562	3.836	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408896139	PFZDFFJFQPRMRG-QNGOZBTKSA-N	522.604	3.993	10	40	KHCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1	409108262	SZBZLSSHHGWIKA-OEAKJJBVSA-N	554.650	3.815	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	97947600	PDTXLYOTDYQHRO-ASSGYOTOSA-N	557.628	3.677	10	40	KHCB	
O=C1/C(=C\c2ccc(/C=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3N3CCOCC3)cc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1	150418113	SQIDJMNETFFMHN-DHQAUHHZSA-N	678.662	3.655	10	40	KHCB	
COC(=O)COc1c(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cccc1OC	408533881	RDOPTCGUEGKSMZ-DJKKODMXSA-N	516.641	3.696	10	40	KHCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1	409186170	YALZPLACKVGLQF-YZSQISJMSA-N	601.612	3.987	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1F	409388968	YNQFJAYMAQYTLZ-BOPFTXTBSA-N	554.328	3.978	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3cccc(C(=O)O)c3)C2=O)o1	409397930	AECCSMLPOGLRGP-MTJSOVHGSA-N	519.510	3.502	10	40	KHCB	
CCOc1ccccc1N(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(C)cc1	20060933	SUAMKXCDLMPFQD-UHFFFAOYSA-N	523.655	3.946	10	40	KHCB	
O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	20112461	VRHWMPZANDVYRJ-UHFFFAOYSA-N	526.486	3.688	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC	408803111	LHSYYYYFWHZURD-MHWRWJLKSA-N	564.332	3.542	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408939970	SYPZMJFJIHOXDS-KGENOOAVSA-N	551.533	3.736	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	408951697	MIRNDMBUACDGCL-GIJQJNRQSA-N	517.450	3.578	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409056914	FICADYHPIYNJTL-QPJBPQEWSA-N	547.677	3.724	10	40	KHCB	
O=C1[C@@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101107343	QIYIWFZEMHQLGM-PWRODBHTSA-N	594.317	3.895	10	40	KHCB	
COc1c(I)cc(I)cc1/C=C1/C(=O)NN(c2ccc(I)cc2)C1=O	150404479	WLTQBCHZGCWANC-QPEQYQDCSA-N	671.998	3.970	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1O	408789135	JPGUJIBMDGSMKJ-VZUCSPMQSA-N	572.739	3.733	10	40	KHCB	
CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	409044687	WSCCFVVZAMCAFX-NTUHNPAUSA-N	510.138	3.982	10	40	KHCB	
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O	9461019	AFPITTKUJVDZFQ-SDXDJHTJSA-N	518.661	3.768	10	40	KHCB	
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)cc2c1	96114430	SDQPGKYALNQJRB-OAHLLOKOSA-N	513.458	3.868	10	40	KHCB	biogenic
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	100336441	BJWUSPIVSWZVCD-FREGXXQWSA-N	554.651	3.770	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	105499774	QJYAFDJVDGAHHZ-IGSWSUAKSA-N	584.492	3.552	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1	409002772	AEYWYBSJOAJODQ-CIAFOILYSA-N	523.929	3.654	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1cc(C)ccc1C	101394101	PNXZOJAXEBPNID-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1C	408526689	DBUXCIZWPDEJNS-FMIVXFBMSA-N	577.233	3.598	10	40	KHCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl	408899714	QAGAZNPOJMIGAK-AWNIVKPZSA-N	528.142	3.974	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC	2185620	VGDZDZHGNFJTER-OCEWKHMESA-N	535.666	3.662	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6077428	GHIZITQAMYFLPC-OAQYLSRUSA-N	508.648	3.583	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)N1CCOCC1	409248511	KVCSRHIRJQWLQJ-BOPFTXTBSA-N	576.478	3.537	10	40	KHCB	
CCOC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Cl	409400458	RDSOGDXIBORSMM-ZROIWOOFSA-N	509.740	3.514	10	40	KHCB	
COc1cc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)cc(OC)c1OC	12590919	ZCOZZNPRGBFUQY-UHFFFAOYSA-N	509.898	3.937	10	40	KHCB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(O[C@H]2c2ccc(I)cc2)C(=O)c2ccccc2C1=O	100506385	QIYIWFZEMHQLGM-HBMCJLEFSA-N	594.317	3.895	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	408886025	CUQOQSMZOLSURU-XSFVSMFZSA-N	506.536	3.746	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cccs1	409053493	KHXVAURAWBUIEX-CBEFOCLBSA-N	557.697	3.834	10	40	KHCB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)c1	409058150	IRHFAMKNFFWLCA-ZGOFBEGVSA-N	547.677	3.804	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409073611	QNWHXVQKJNAPIQ-KGENOOAVSA-N	506.536	3.746	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C(=N)N21	33356305	UIHNSTZRYHQUJP-JXFDPVBFSA-N	537.392	3.788	10	40	KHCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	100267027	LNNOOLWZGLVCLP-MNWRGJPZSA-N	529.556	3.790	10	40	KHCB	
COc1cc(Br)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1O	100318664	WZAJMIQLCSIOJD-MLPAPPSSSA-N	512.179	3.757	10	40	KHCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	408537340	ZZPIQHCSTAVLOD-PYCFMQQDSA-N	509.614	3.501	10	40	KHCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC	408785373	WTLKOCNHUPIWTJ-RIYZIHGNSA-N	512.687	3.628	10	40	KHCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCC(=O)OC	409350481	YGIMZPGPBUVKID-OQLLNIDSSA-N	604.469	3.849	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	41083836	WTWZOPLIGPDQLI-WUVMMTAUSA-N	506.009	3.768	10	40	KHCB	
CCOc1cc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc(OCC)c1OCC	105303583	JCGIFFJJEMCRFV-UHFFFAOYSA-N	532.619	3.636	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1	409260502	REPBFNZHDWUYDH-HAHDFKILSA-N	527.533	3.774	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1	409263220	BDLPQOWURMOMDJ-IWIPYMOSSA-N	527.533	3.774	10	40	KHCB	
COC(=O)[C@H]1CC[C@H](CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1	1565524182	FAZZWQLUKPEFCV-NCXSOUSFSA-N	514.626	3.884	10	40	KHCB	
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc2c1OCCO2	96114933	HNVZOAHDHSJQIK-AWEZNQCLSA-N	504.447	3.798	10	40	KHCB	biogenic
CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1cccc2ccccc12	104124302	UWHNBRYJJPMEET-SHAMHXSFSA-N	509.588	3.684	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)c(Br)c1O	408694697	LPGOAEBKJAMGDM-YRNVUSSQSA-N	502.159	3.720	10	40	KHCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	408871394	YRKUWUCTTNEEES-HZHRSRAPSA-N	508.552	3.644	10	40	KHCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC	408908311	BNAZODZXAATIKJ-AUWJEWJLSA-N	510.259	3.504	10	40	KHCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1OC	409137003	UMZUAXOAXGPHMI-KQWNVCNZSA-N	550.589	3.914	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1	409224857	LCPHQEOZHYROKJ-HYARGMPZSA-N	500.467	3.587	10	40	KHCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1	1278254	KFUYODRTCVNHSJ-HKOYGPOVSA-N	529.984	3.881	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	6226725	DFUGCXJRIHMKMU-LYRGBEMXSA-N	586.508	3.644	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3Cc3ccc(F)cc3)CC2)cc1	6443868	MJNBFRLSIBXHFU-MUUNZHRXSA-N	539.615	3.931	10	40	KHCB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	100084166	SHZORVYATXHQOH-UHFFFAOYSA-N	530.046	3.697	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(Cl)c3)C2=O)cc1	409387256	PBJRYVVSRBMLLZ-BKUYFWCQSA-N	563.950	3.819	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O	9056445	RSGUWRVJKVTLGA-NTUHNPAUSA-N	510.138	3.982	10	40	KHCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ncc(Br)cc1Br	408527516	DPNIBEXONXDRBH-VQHVLOKHSA-N	500.534	3.839	10	40	KHCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)c1	408532858	RIOPWGFNCSGVDY-HEHNFIMWSA-N	551.607	3.791	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408978712	ARUMMIQGQWIHPN-KZFLWGQDSA-N	532.485	3.688	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069250	IESRRHKAUDNPHB-WOJGMQOQSA-N	557.924	3.691	10	40	KHCB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)NCc1ccco1)OCCO3	891415	LTSPBCQCMYCPEM-UHFFFAOYSA-N	505.552	3.698	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1	97946862	PZRAAVNPLCVHHY-AHFVYKFHSA-N	530.693	3.502	10	40	KHCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCn4ccnc4)nc4ccccn4c3=O)SC2=S)cc1OC	97946937	RURIEHALGFNQDU-QJOMJCCJSA-N	576.704	3.854	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(Br)cc1	408803372	OCVFMRJXDFTWHI-UHFFFAOYSA-N	571.165	3.781	10	40	KHCB	
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1	409050561	WYULPYBNWMWINK-YBFXNURJSA-N	520.885	3.932	10	40	KHCB	
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408529324	CQQFRUQWUOOAFN-DHDCSXOGSA-N	508.122	3.803	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	408771445	ICMCVUWIPJSPAX-RQZCQDPDSA-N	578.359	3.525	10	40	KHCB	
CC(C)c1nccn1CCC(=O)N1CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C(=O)N(C)CC1	643568043	IWZMBCLICFZWMH-UHFFFAOYSA-N	559.711	3.817	10	40	KHCB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	2682017	CNVKQXTVSCRTBR-FCKOQQNDSA-N	507.681	3.975	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1	20235181	BSIDFGQQNMNTHW-JIGGIXHTSA-N	508.556	3.897	10	40	KHCB	
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1C1CCCCC1	97966141	VRJATHVQDGTDGY-FLPXOHCLSA-N	582.729	3.543	10	40	KHCB	
O=C(Nc1ccc(O)cc1C(=O)O)c1cc(C(=O)Nc2ccc(O)cc2C(=O)O)cc(N2C(=O)c3ccccc3C2=O)c1	98002660	JXAJISLVHPOGHJ-UHFFFAOYSA-N	581.493	3.799	10	40	KHCB	
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1	12480823	SHASSZYUHNWYFW-SVEHJYQDSA-N	526.641	3.875	10	40	KHCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	32125504	UHTXDVZTHNJUKC-TWBKXSQYSA-N	520.582	3.637	10	40	KHCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12	409139938	CDUPIQYEIIXWDF-IJGVREJDSA-N	513.685	3.879	10	40	KHCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(I)cc1	409233641	LMQBVOQQNACGKB-ODLFYWEKSA-N	512.307	3.760	10	40	KHCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409258626	YHKBCJAYGUQUIC-NVNXTCNLSA-N	544.367	3.945	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409261426	BOGBAPCPBWMEPE-QNGOZBTKSA-N	501.564	3.934	10	40	KHCB	
O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2	902641	CCZMLFAGUPEDCW-MUUNZHRXSA-N	543.580	3.795	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c2ccc3c(c2)OCCO3)cc1	100330033	XKZYZKSMHWNESG-PDDLMNHVSA-N	632.121	3.900	10	40	KHCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	223693526	YMSDFLJGXVMLHF-ZEQRLZLVSA-N	509.588	3.942	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	408529267	COBKDXZZZSRLFB-XDHOZWIPSA-N	546.532	3.915	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408828431	MNOGVJKZKQPDFM-ORVZPOCUSA-N	585.638	3.633	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccccc4F)C(C)=C3C(=O)OC)o2)cc1	408846072	OPDMAFRJMSGPPQ-PXLXIMEGSA-N	575.549	3.728	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1	408890483	UMJSIADPTJPADE-XQNSMLJCSA-N	534.546	3.606	10	40	KHCB	
CCN(c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1)S(=O)(=O)c1ccc(C)cc1	13585400	HQHLRGALKKXJRN-UHFFFAOYSA-N	523.655	3.946	10	40	KHCB	
CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)cc1	13590147	FUAMBEDWPHCSAE-KMDXXIMOSA-N	509.514	3.867	10	40	KHCB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1	35112705	GUHKNRDSYQOXIX-IAGOWNOFSA-N	504.564	3.512	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408535750	OQSZMLMAZIQGEF-JWANLJSNSA-N	519.510	3.863	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)cc1	408983903	ODGARYNYEYHMMZ-AUWJEWJLSA-N	599.175	3.746	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8443481	PVDUULJKXUQOTR-MRCZTLKWSA-N	668.351	3.937	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1	409261313	CUSJVBVEZKDSIE-BKUYFWCQSA-N	514.494	3.896	10	40	KHCB	
O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(I)cc1	1225970	DNTXTJGGRYDNDG-QHAWAJNXSA-N	549.320	3.986	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6135886	CAUVBKZRBDFSCK-QHCPKHFHSA-N	548.694	3.652	10	40	KHCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	101396319	BYYRUVXWVPRKOH-QZEQKTIESA-N	527.584	3.821	10	40	KHCB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)cc1C	408526178	ADAYFCVROLCIBV-XFXZXTDPSA-N	577.233	3.598	10	40	KHCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409092226	UCVFJWRBOBXPLI-ZDLGFXPLSA-N	519.382	3.870	10	40	KHCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)c1	409191106	SIHUGIDBVVNIQJ-CIAFOILYSA-N	517.563	3.719	10	40	KHCB	
COC(=O)[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1	1565524978	ZWILKLDQXGLHIT-XCZPVHLTSA-N	508.578	3.819	10	40	KHCB	
COc1c(/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2	97968784	YGNCKOYHGZARPN-WQRHYEAKSA-N	591.358	3.556	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OCCOc1ccccc1	101393619	KEPIJGMIMNRCHX-LXEXHQCYSA-N	549.030	3.818	10	40	KHCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	408883607	RPYGSYWLBOGNLL-YDZHTSKRSA-N	507.587	3.870	10	40	KHCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409003845	LAPKMSNXKPJTAC-MFKUBSTISA-N	543.576	3.724	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C	409262322	GTEBCMNIPARMKY-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CN1CCN(Cc2ccc3c(c2)OCO3)CC1	1554503156	KYUHDDKVEQYGBM-LCUIJRPUSA-N	590.727	3.623	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(Cl)c(OC(=O)c4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	97964747	DLWNWOGTYAOBKF-UDYIERFUSA-N	547.014	3.888	10	40	KHCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(I)cc1	106710972	FZAINRYGIVAACA-UNOMPAQXSA-N	551.406	3.594	10	40	KHCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223147742	VCFKCSDPGMHYEK-UIOOFZCWSA-N	519.671	3.800	10	40	KHCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408790927	ULSQOBKYIQHNTP-XYGWBWBKSA-N	560.603	3.907	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1	408999900	SRJJTXBSYBTDAZ-ABBNRAPFSA-N	555.656	3.992	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59418545	SOHYKHLXUVUAAI-SJJVXOANSA-N	513.619	3.723	10	40	KHCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1	97947689	OYXYYYFFQVKIPE-JWGURIENSA-N	564.689	3.884	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	103844892	AZHSOVWIAVBYEQ-QGMBQPNBSA-N	567.913	3.900	10	40	KHCB	
O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1	105356134	MHNKEUYFALRFDB-UXBLZVDNSA-N	544.593	3.839	10	40	KHCB	
COc1ccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2OC)cc1	9075885	WMBGVIMUXMXWLC-JCMHNJIXSA-N	506.511	3.807	10	40	KHCB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@H](C)O1	35112702	GUHKNRDSYQOXIX-IRXDYDNUSA-N	504.564	3.512	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=N)N21	101394551	YRQXFRDQYIGKRC-RQECEPOMSA-N	523.379	3.834	10	40	KHCB	
COc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	108448436	YWPNBVYHGDARNQ-CYBMUJFWSA-N	530.441	3.838	10	40	KHCB	biogenic
COc1ccc(N2CCN(C(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	408586238	AUHZQQOTFYMSED-UHFFFAOYSA-N	527.618	3.695	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nnnn4-c4ccccc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408992050	QHUSHCWOIQBEOD-FGSNJIQSSA-N	613.725	3.584	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	97964426	HAEYQXUPSWFMDX-JTPDXPAISA-N	549.030	3.736	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C(=O)N=C2S1	97964765	RBNSQTINPKXSSN-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC	408798345	HVALQZVWPATKOE-OQLLNIDSSA-N	520.323	3.982	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	409256968	QVHLHMNZAYYHBT-UCQKPKSFSA-N	557.559	3.783	10	40	KHCB	
O=S(=O)(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)c2)cc1	4266026	DTLMPEWIRKJUKS-FLFKKZLDSA-N	606.594	3.504	10	40	KHCB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NCCCN4CCOCC4)nc4ccccn4c3=O)SC2=S)cc1	100763120	LZLAFFMNIMAYHA-XLNRJJMWSA-N	535.695	3.539	10	40	KHCB	
O=C1/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	102622637	ZUMAWSXUMIEUCD-MPMPPSQCSA-N	578.491	3.638	10	40	KHCB	
COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2cccnc2)CN(C)[C@@]32C(=O)N(C)c3ccc(F)cc32)cc1	106021816	XHTUBOCAXFEDEN-QLCOJLISSA-N	548.665	3.930	10	40	KHCB	
CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	408935892	FBMFQOHSPDTAAP-OQLLNIDSSA-N	504.293	3.821	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409084713	XUXWMHCDWGNFBY-ORVZPOCUSA-N	687.569	3.713	10	40	KHCB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	409178144	JAALZJCCBLUSQO-MHWRWJLKSA-N	507.387	3.547	10	40	KHCB	
Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C	100856429	BJORDACYXILTAC-STZFKDTASA-N	536.635	3.833	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1	408528067	ARIRPRQAHKITDO-PXLXIMEGSA-N	516.506	3.988	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)NC1=S	408740057	CUENDFMVOWMBSF-VZUCSPMQSA-N	588.177	3.807	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccc(Br)cc23)SC1=S	409129155	FNMBHYIGRKHMGE-SCPBCGJWSA-N	538.489	3.547	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	6135852	YEIAWMQZHYHCNJ-QHCPKHFHSA-N	520.659	3.727	10	40	KHCB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1	26570622	ICNYBXXFBJLSLV-XKGHIZKOSA-N	524.646	3.949	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1	28296210	VYRIJSTUVZANHV-QXHVWWCLSA-N	505.640	3.653	10	40	KHCB	
COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1Oc1nc2ccccc2n2nnnc12	39370705	LXYXLOKZEJUIGZ-CPNJWEJPSA-N	507.510	3.552	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223148194	GXQBEUCSEILCAH-IZZNHLLZSA-N	536.658	3.711	10	40	KHCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1	409016071	SDNFHOWXLAPGBP-KOEQRZSOSA-N	571.586	3.979	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(C)cc2)OC32C(=O)c3ccccc3C2=O)cc1	101099832	GSHJILBCVDCOQQ-WXFUMESZSA-N	509.514	3.867	10	40	KHCB	
CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	101130241	VEQRMNHBAWMHTL-VXNXHJTFSA-N	509.514	3.867	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC	103852723	KMWBSABOQCVWMP-NTEUORMPSA-N	598.390	3.602	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OC	408801888	WKOHJLLVAIXEGK-AWNIVKPZSA-N	526.714	3.937	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)C(=O)NC2=S)cc1	408848678	SGPDFURNTFKBRY-FYJGNVAPSA-N	518.547	3.812	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1	6442191	UMSBLNGTUYONDW-QHCPKHFHSA-N	522.675	3.749	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	9331250	IMDCCYCMKMXIMB-HMAPJEAMSA-N	511.559	3.631	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S	97947389	HZEPTARESGVFJB-ZROIWOOFSA-N	518.370	3.535	10	40	KHCB	
O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	97947607	HEJJDWTZHSKZNX-RAGBYUADSA-N	551.669	3.540	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)O	100276426	FDJYZCPLHSDYFB-GFQQVXNGSA-N	519.373	3.531	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br	409005516	DWYMAWWAODZHPZ-UHFFFAOYSA-N	595.244	3.994	10	40	KHCB	
CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	409409184	UBZGNPVMRFCIDV-RQNDZEIBSA-N	503.349	3.640	10	40	KHCB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H](C)O)cc1	13128957	VIQREZGORXMXTH-LMRUOLFVSA-N	510.572	3.620	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc12	408887249	PAICAOWNHQKAHY-UHFFFAOYSA-N	509.312	3.970	10	40	KHCB	
CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)C(=O)N(C)C1=O	408994928	HYYJZCDGEDQMGI-UHFFFAOYSA-N	646.175	3.607	10	40	KHCB	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@H]3O[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1	150395339	OHPWLWOBYWTAPY-ZMZZHIJGSA-N	725.791	3.537	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)cc(I)c3O)C(=O)NC2=S)c1	408742942	UHUCKELYQFDLJM-AUWJEWJLSA-N	528.755	3.880	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1	408980597	FYKFUDDJGAZEKC-AQIZGWBQSA-N	545.617	3.805	10	40	KHCB	
COc1ccc(N2CCN(c3cc(NCCCN(C)C)c4c(c3N)C(=O)c3ccccc3C4=O)CC2)cc1	9130692	YLHYRWQITOLICY-UHFFFAOYSA-N	513.642	3.743	10	40	KHCB	
CCN(CC)C1CCN(Cc2cc(I)cc(I)c2O)CC1	98209295	YZPXNEXVQURJCE-UHFFFAOYSA-N	514.189	3.908	10	40	KHCB	in-vitro
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	103865748	FWLVRGHZMXCOMC-KEBDBYFISA-N	552.337	3.919	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408903833	ABKGPXHMKFJUAW-UHFFFAOYSA-N	546.443	3.772	10	40	KHCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1C	408946529	AMJUDAUYDXFUHN-RGVLZGJSSA-N	501.495	3.584	10	40	KHCB	
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c([N+](=O)[O-])c1	409019851	YPMXTZRRKGUEJH-CIAFOILYSA-N	503.515	3.851	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1	409054884	HAKYCSZNWBHNMI-LPYMAVHISA-N	503.486	3.827	10	40	KHCB	
COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21	409123837	IJQVBRGUNTWVCI-GTNUZRKBSA-N	552.516	3.937	10	40	KHCB	
CN1C(=O)[C@]2(c3cc(F)ccc31)N(C)C[C@@H](c1ccncc1)[C@@]21SC(=S)N(Cc2ccco2)C1=O	35808726	PXQRJQIMERHEPB-LQGLAIQGSA-N	508.600	3.514	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1	223164946	JWBQAKNEYMAUNH-CLJLJLNGSA-N	519.671	3.580	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1I	408791081	SWNLWQWKKHHDFV-UUILKARUSA-N	713.085	3.953	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC	100815522	JNECYXDHRVFDGM-QNGOZBTKSA-N	538.651	3.732	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409048550	RWCNGFWMVFWGDR-PXLXIMEGSA-N	515.522	3.778	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409075799	YDPVGDPJUBPNOA-DEDYPNTBSA-N	676.441	3.911	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1	409382118	YFIFKEKUFWRLNK-HZHRSRAPSA-N	545.548	3.786	10	40	KHCB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	97947709	QMUMPVJLTBIQSO-QNGOZBTKSA-N	567.668	3.822	10	40	KHCB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100146465	XIGLDBCHPWVDID-JRLUPPEASA-N	521.525	3.899	10	40	KHCB	aggregator
C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1	225952218	RYZHYZMVVDSENN-OYRHEFFESA-N	509.724	3.882	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)ccc1Br	408763873	LAHAPHHCNKFOGU-YRNVUSSQSA-N	501.074	3.622	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccccc1	408833928	XDKIUKCVPQMGAR-SJJVXOANSA-N	541.629	3.904	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1O	408889856	JZWDEXSJHKFKCO-RIYZIHGNSA-N	506.296	3.679	10	40	KHCB	
Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Br	97964468	DJWZDDZONAZRID-WUVMMTAUSA-N	533.429	3.958	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O	100148022	SWCYMEANQQCZJY-FKBYEOEOSA-N	532.892	3.952	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Br)cc1	408815613	SUGWRMDHJQTIBR-UHFFFAOYSA-N	524.165	3.939	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC	409108313	ZXCJCSATQDTEEK-RYOBIWAXSA-N	562.736	3.967	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	41077814	UURGGFFEAHBMGC-UYAJQHSGSA-N	504.977	3.549	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1	97964428	JSOVKNSYKDWWQM-LXEXHQCYSA-N	549.030	3.818	10	40	KHCB	
CC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1	100336606	ZZELVJDMYFEIMK-IUDBTDONSA-N	596.688	3.540	10	40	KHCB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(O[C@H]2c2cccc(I)c2)C(=O)c2ccccc2C1=O	101099799	HUMWITYZDYGYGP-HBMCJLEFSA-N	594.317	3.895	10	40	KHCB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC	409338185	FLNIAYRRHFZJEJ-WQRHYEAKSA-N	581.466	3.954	10	40	KHCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc4c(c3)OCO4)C2=O)o1	409401315	SJUCSXUMVMKEMU-JAIQZWGSSA-N	519.510	3.533	10	40	KHCB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O	409406127	AKSDAVFVOXAQPG-MOSHPQCFSA-N	506.898	3.955	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1	97964728	XIRVOVPIIWFZDO-OQZKWKKUSA-N	542.639	3.863	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	100526602	CKPIWZTWOTUCQN-FBHQFGEZSA-N	526.456	3.627	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408695672	XGHNZAAKRPXZBD-VCHYOVAHSA-N	515.925	3.910	10	40	KHCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408742075	PBRLWBZZJGMBSH-NYYWCZLTSA-N	527.150	3.657	10	40	KHCB	
CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)C(C(=O)OC)=C1C	409184877	OSZLOSWWOPOGCR-MHWRWJLKSA-N	506.342	3.534	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)CC2)cc1	26110601	UVZPUYIRKCKTME-GOSISDBHSA-N	526.486	3.893	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	101173785	ZWDWFNYRQVXCPI-WKCLOKEXSA-N	533.610	3.703	10	40	KHCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1C(=O)O	223186549	IZCJOZULSNNSQV-FTJBHMTQSA-N	519.671	3.882	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccccc1OC	408992107	ZOVZJOYLLUPVFG-WQNUKSJVSA-N	571.655	3.943	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)O	409399255	HEEVFXFQTBCHGS-HOXUKUGESA-N	554.191	3.924	10	40	KHCB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)cc2OC)cc1	100795909	RWXYNSKDBYOZHV-MHJFOQCCSA-N	545.660	3.711	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223146884	CWFWJKUKHGEMLL-FTJBHMTQSA-N	536.658	3.711	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3F)S(=O)(=O)c3ccc(C)cc3)CC2)cc1	409057889	MRQQMVCAGZDPTD-UHFFFAOYSA-N	511.619	3.682	10	40	KHCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)OC(C)C)cc2)C1=O	409185511	ZMGPNBYYGMWPLH-WOJGMQOQSA-N	501.333	3.754	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(Br)c(Br)c1O	409196417	ZZJOUIIDMJHDEO-KPKJPENVSA-N	570.215	3.845	10	40	KHCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1	409225491	RFPHNTFJTVABLH-LPYMAVHISA-N	500.467	3.587	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1OC(C)C	409233839	UAQWCXWLNOSSIO-OVCLIPMQSA-N	521.311	3.539	10	40	KHCB	
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12	4804005	KZIQIRYGVUPTBY-ZQHSETAFSA-N	664.652	3.912	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S	20025396	UNUNXIVIVDXOCS-QNGOZBTKSA-N	505.669	3.546	10	40	KHCB	
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972098	ORCKOQPGDOWFAC-CQSZACIVSA-N	554.504	3.709	10	40	KHCB	biogenic
COc1ccc(CN2C(=O)[C@@]3(SC2=S)[C@@H](c2ccccn2)CN(C)[C@]32C(=O)N(C)c3ccc(F)cc32)cc1	101410880	HOCXWTZDICZVGY-FQNJNTOFSA-N	548.665	3.930	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(I)c3)C(=O)NC2=S)c1	408903952	BRFNVTSYMBKKNW-MHWRWJLKSA-N	522.364	3.920	10	40	KHCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	408984936	ULCZWOJVVMHMOW-NVNXTCNLSA-N	568.751	3.861	10	40	KHCB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cccc(C)c4)C(C)=C3C(=O)OC)o2)cc1	409005760	VHMGTNHUKSCRQN-PCLIKHOPSA-N	571.586	3.897	10	40	KHCB	
CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	101394880	TYMWLVSFLAUMTI-HELPIZENSA-N	533.031	3.981	10	40	KHCB	
CCOc1ccc(NC(=O)[C@@H](/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)C(C)=O)cc1	104123815	GKDRWALHGQSUBZ-ZFZZVZNFSA-N	502.578	3.726	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409043915	AEDLAAOVIDTWMW-KGENOOAVSA-N	530.493	3.677	10	40	KHCB	
CCOC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br	409399517	JGKKZNMXFAVKNF-ZROIWOOFSA-N	554.191	3.624	10	40	KHCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1	100165666	NXEWRJXHTCGJOS-PDGQHHTCSA-N	519.457	3.729	10	40	KHCB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)CC1	100912740	TWWZNJLEKBAXKC-NMWGTECJSA-N	533.723	3.979	10	40	KHCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	112237944	IHZGUFWAEQZQGO-KQWNVCNZSA-N	568.568	3.652	10	40	KHCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	223659519	CBZAYLNGBYRZAS-ZEQRLZLVSA-N	509.588	3.942	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OC(C)C	408800300	LSICKXHPBPVJDF-LICLKQGHSA-N	578.359	3.930	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1	408889011	APZOWFMVLJQYNL-KGENOOAVSA-N	599.415	3.978	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)CC2)cc1	408924276	FRAQKQVWZMVXOM-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1	102923360	MVZZEFODBFMCDW-UHFFFAOYSA-N	555.568	3.641	10	40	KHCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C	223148250	GXQBEUCSEILCAH-UIOOFZCWSA-N	536.658	3.711	10	40	KHCB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCOCC5)cc4)c(=O)n32)c1	409056923	FJNPMBPSJBVWPW-HSUOJCLFSA-N	566.683	3.719	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)cc1	20083563	ZCYFLYRVZGKSQS-VWLOTQADSA-N	501.635	3.807	10	40	KHCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)CC2)cc1	26109616	OPAYAHHPCLPBQN-SFHVURJKSA-N	526.486	3.893	10	40	KHCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408899720	QBBZHXZRNGFSMJ-KGENOOAVSA-N	503.486	3.827	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N(c2ccccc2)C1=O	409015821	BPCQBOPORXEHDH-QJOMJCCJSA-N	501.539	3.906	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409070258	FCBZQHHKKOWUQF-HYARGMPZSA-N	544.516	3.816	10	40	KHCB	
CCOc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)ccc1OCC(=O)N1CCOCC1	103115728	BEPQIPSXWMMSTP-UHFFFAOYSA-N	578.618	3.557	10	40	KHCB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)NS(=O)(=O)c1ccccc1-2	150387019	KGCFHYFJMUXILO-JGCGQSQUSA-N	702.767	3.857	10	40	KHCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	17245950	BBQUKNPVFJTWJU-HKWRFOASSA-N	501.008	3.582	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1	409074100	KEDBBVPWSRWDDH-XDHOZWIPSA-N	615.414	3.678	10	40	KHCB	
O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)SC1=S)NC1CCCC1	101002474	BWXHNCYBTFADAY-FMQUCBEESA-N	568.812	3.597	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccco1	408537244	UTRUQVSMKNLZPN-LFIBNONCSA-N	511.284	3.936	10	40	KHCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1OC	409226023	RHISSRDGIYJJAB-VGOFMYFVSA-N	611.243	3.540	10	40	KHCB	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	97972021	RWBOKLJRXYGNQD-AWEZNQCLSA-N	524.478	3.700	10	40	KHCB	biogenic
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)OC)c(OCC)c3)C2=O)c1	103845956	AFSQTAZNDYAPDH-LICLKQGHSA-N	591.411	3.863	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409057577	QAOIWXUBNXECEV-PXLXIMEGSA-N	543.532	3.556	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3Cc3ccco3)CC2)cc1	1382050	CPLJRDIVPKODHT-MHZLTWQESA-N	525.613	3.693	10	40	KHCB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)c1	6135942	RBKUZKNSOKPHPZ-XMMPIXPASA-N	550.685	3.736	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(NC[C@H](O)c3ccccc3)nc12	97947410	GLBOLZDLYLYRSZ-RLKVQFJASA-N	552.678	3.995	10	40	KHCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408778130	BMTVNRGCPQMMAD-YPZMPRRGSA-N	504.583	3.794	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(I)c1OC	408871941	ZWCLREFMWQHCTG-GDNBJRDFSA-N	520.323	3.927	10	40	KHCB	
O=C1/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	409141100	IRWYYSBGESTOAH-NHDPSOOVSA-N	528.656	3.880	10	40	KHCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1	13765648	LEHQPRFGUXRVBZ-HAHDFKILSA-N	509.518	3.720	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1	41084083	XWZQNYVNXKVKKM-VHARHKTESA-N	512.613	3.773	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59418544	SOHYKHLXUVUAAI-GTWFGUSFSA-N	513.619	3.723	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	97947732	SECZHNAYXMOVQZ-XLNRJJMWSA-N	553.685	3.706	10	40	KHCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccccc1I	100299783	RXTVVASYGQLVEI-CXUHLZMHSA-N	555.371	3.805	10	40	KHCB	
O=C1C[C@@H](c2cc3cccc4c3n(c2=O)CC4)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	108447501	YTMNKIODANRXHW-HNNXBMFYSA-N	525.469	3.594	10	40	KHCB	biogenic
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	223678289	IRMFJJLCXFPGNE-RRPNLBNLSA-N	519.671	3.861	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409052213	CFYHQCPPMFPBSX-ABBNRAPFSA-N	547.677	3.806	10	40	KHCB	
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1	409189943	OBJPPBQMUNEDTK-WOJGMQOQSA-N	503.374	3.611	10	40	KHCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6135936	FHMDEDNVORXPPI-JOCHJYFZSA-N	540.715	3.784	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)c1	103843845	QNAWGLWZGZNZEJ-RIYZIHGNSA-N	520.292	3.527	10	40	KHCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(Br)cc1	106710359	QNGXCFSOBGIROF-UNOMPAQXSA-N	504.406	3.752	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408693891	AQSMZAZJPXLUAK-WOJGMQOQSA-N	589.386	3.722	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)O	408776900	SDGKEXWPKCTIFZ-VGOFMYFVSA-N	523.723	3.631	10	40	KHCB	
O=C(C[C@@H]1[C@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccccc3)c(O)c2)O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]21)c1cc(O)c(O)c(O)c1	1857787531	FXCKTDPHONCAKY-POXRERTPSA-N	872.741	3.681	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1	41077952	NZOAIRHTJKCDMI-UHFFFAOYSA-N	519.417	3.837	10	40	KHCB	
CCCCN1C(=O)/C(=c2/s/c(=C/C=C3\Sc4c([n+](C)cn4-c4ccccc4)N3CC)c(=O)n2CC)SC1=S	97944388	BEDMGRFGPOENAG-RPYVOCANSA-N	584.838	3.568	10	40	KHCB	
CCOc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2cccnc2)[C@@]12SC(=S)N(Cc1ccco1)C2=O	100228005	KYHUTAUWXBXOGM-ZFWHIUCFSA-N	534.663	3.774	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Cl)c1OC(=O)c1cccs1	101394662	TULPLBIHDISDOM-STFAQDPBSA-N	539.016	3.641	10	40	KHCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2	223189211	VAXBQIVUOHKMLB-KAYWLYCHSA-N	519.671	3.913	10	40	KHCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(I)o2)C(=O)NC1=S	408951000	HFCZAWDARJNENW-UXBLZVDNSA-N	517.142	3.786	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409054618	AMQTWHJPMOJECE-CSJROMOCSA-N	547.677	3.806	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409271748	MPQGIYMXFNVSCJ-STZFKDTASA-N	501.564	3.852	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	409371032	AKVDHXMYNOEYBS-GIJQJNRQSA-N	602.337	3.832	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OC	12363063	GDXLRKUWQDZVPB-QPEQYQDCSA-N	506.334	3.514	10	40	KHCB	
COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1OC	408981384	ATJSZWXOEACLMA-AUWJEWJLSA-N	526.714	3.937	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC	409101241	AQFOXGADYQVVAX-OWXSRONMSA-N	583.552	3.941	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2107609	FXKWVJKZOFVETQ-DBXPASCUSA-N	541.677	3.667	10	40	KHCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1	22698771	MKLDAMHXEIHVLN-UHFFFAOYSA-N	504.631	3.752	10	40	KHCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O	102588300	AHSLJXMAJMMEQK-GTVARFKMSA-N	500.433	3.868	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccccc1Br	408888705	ZJDOHVJPOBPJJZ-UHFFFAOYSA-N	571.165	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)o1	408978952	BBWNMJQEJCLPQI-GVMLUORFSA-N	559.644	3.894	10	40	KHCB	
CCCCCN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S	8858370	GGBYKTFMGQLMNM-MNDPQUGUSA-N	529.688	3.673	10	40	KHCB	
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(C2CCCCC2)N=C1C	33689140	IUBMPGWPOSOPBO-AERNQAQFSA-N	512.701	3.728	10	40	KHCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	100774614	ZDXIPJNUTAGFOA-SBOLGIJOSA-N	535.695	3.791	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(Cl)c(C)c1	101394155	LIRSJZCSYZREEY-LXEXHQCYSA-N	549.030	3.736	10	40	KHCB	
CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](C(=O)OC)(c4ccccc4)[C@@H]3C2=O)cc1	229917912	FOPBPMHDNXUDOV-OKUYAMHMSA-N	513.594	3.670	10	40	KHCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1	408847999	OVFZRDPWXNNLBS-MHWRWJLKSA-N	528.258	3.946	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cc(C)cc(C)c1	408886976	KQHAKFZHQTVYIO-UHFFFAOYSA-N	520.323	3.635	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409064794	GIIWWYXNSJSQSW-XDHOZWIPSA-N	512.927	3.783	10	40	KHCB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409097490	GSWQQXLPFRRXDE-NULZLWRNSA-N	592.762	3.976	10	40	KHCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409340325	VEPXXXOPBIOMAN-PDGQHHTCSA-N	577.643	3.979	10	40	KHCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C	9245039	MRIJIIHIAVOHLG-PLWGRFDCSA-N	519.587	3.942	10	40	KHCB	
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1I	408739847	GCDFVNMWQXFFQM-NTUHNPAUSA-N	587.155	3.912	10	40	KHCB	
CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC	408810078	OWROUAPVFGPLMP-GZTJUZNOSA-N	578.359	3.932	10	40	KHCB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc6c(c5)OCO6)c4C)c(=O)n32)cc1OCC	408936298	PBVFBYXIENIQAQ-BZSVIMGHSA-N	601.681	3.952	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC	2049582	VXGGCCBFYKUIBR-ZGOFBEGVSA-N	571.655	3.913	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1	223127698	QNDNOALMGHQPFP-VMPREFPWSA-N	546.741	3.630	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1	408913057	SGUWDFARAVRVGV-AUWJEWJLSA-N	542.782	3.789	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc2c(c1)OCCO2	409207685	XJAZDPIUKLUWEG-SRZZPIQSSA-N	550.501	3.789	10	40	KHCB	
COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1	409386473	FMQVRHAIXXJVIF-UHFFFAOYSA-N	509.628	3.556	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(C(=O)O)c1	223186878	OTXFZQPELFYXFY-UIOOFZCWSA-N	519.671	3.882	10	40	KHCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1	225952314	BWDKDFJPRJZDFD-UHFFFAOYSA-N	515.687	3.920	10	40	KHCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	2249594	SLVGJIKYFXUXPK-SILNSSARSA-N	509.632	3.771	10	40	KHCB	
O=C1/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	2426587	CXUOWHQWWKLZGL-BJLUOBIUSA-N	504.637	3.637	10	40	KHCB	
Cn1c(/C=C2\C(=O)Nc3ccc(Br)cc32)nc2ccc(I)cc2c1=O	9270243	ZHXPDCOVCATYSZ-WQLSENKSSA-N	508.113	3.793	10	40	KHCB	
CCN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S	12614912	HZMOOUCHJNGWFI-LTGZKZEYSA-N	505.669	3.546	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1	97964733	IZKJYQGNZGPYEZ-PUZISAOJSA-N	536.975	3.562	10	40	KHCB	
Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1	100870531	TVNNQPIHKDVTGK-BNDVRQRFSA-N	547.706	3.710	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCCOc1ccc(C)cc1C	101394465	NWHPXBCLWFLFEI-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408842454	PEGRHBLYCBADHY-MTCPJELPSA-N	590.485	3.635	10	40	KHCB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	408854861	ANADIDZNFFNPGL-YRNVUSSQSA-N	591.210	3.981	10	40	KHCB	
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)N4S(=O)(=O)c3ccc(F)cc3)CC2)cc1	20449699	UOYQPRGEFJPCRF-IBGZPJMESA-N	509.603	3.937	10	40	KHCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	41084068	FFPBIYOSEUDDBO-XSZXRDMNSA-N	519.004	3.809	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC	97958087	VXGGCCBFYKUIBR-QPJBPQEWSA-N	571.655	3.913	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C	97964447	QSDXPKWJIUWUDL-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccccc1Cl	101394165	PYMSMMATDWHVGI-VZKNCDIUSA-N	549.030	3.818	10	40	KHCB	
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1Cc1ccccc1	102056721	VURRSYPTEONZKN-YFMKTMAWSA-N	555.641	3.748	10	40	KHCB	
Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc(OC(F)F)cc1	103125963	SWCFFWCGFKMSFB-BGYRXZFFSA-N	500.498	3.763	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408982203	JBWJINQXCWWBII-UQDCTOEPSA-N	601.681	3.921	10	40	KHCB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1Br	409351458	UTGINEHCGYAPKE-RIYZIHGNSA-N	513.416	3.609	10	40	KHCB	
O=C(C[C@@H]1[C@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccccc3)c(O)c2)O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]21)c1cc(O)c(O)c(O)c1	1857787533	FXCKTDPHONCAKY-ROCMPPEOSA-N	872.741	3.681	10	40	KHCB	
CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1	902585	MHKOWROBOVEKIU-NDEPHWFRSA-N	542.596	3.634	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1	6442229	UMSBLNGTUYONDW-HSZRJFAPSA-N	522.675	3.749	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S	8858068	RGHJIAYNMXUMFJ-ZHZULCJRSA-N	510.641	3.861	10	40	KHCB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)OCO3)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O	100497432	KEMGLYBNPSPUKG-BDTNDASRSA-N	501.878	3.764	10	40	KHCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408889365	DAUWKJUEQHXXNP-HYARGMPZSA-N	506.536	3.746	10	40	KHCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1	408889395	GCQBDNUKAZRDJH-UYRXBGFRSA-N	510.499	3.577	10	40	KHCB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n32)cc1OCC	408936324	PEENIQTZYMEVBO-PKVQIGPHSA-N	535.666	3.662	10	40	KHCB	
CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	2347170	QUJTWHNNQYPTOO-ZHZULCJRSA-N	510.641	3.896	10	40	KHCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	9308970	DNPQPVXFQNUWIN-HMMYKYKNSA-N	518.492	3.783	10	40	KHCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(Cl)cc4)cc3)C(=N)N21	20206022	SFVUWHHNWIRIKZ-DHKQOHTGSA-N	519.004	3.809	10	40	KHCB	
COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n(Cc5ccc(F)cc5)c(=O)c5ccccc5n34)CC2)cc1	101531485	MJHQXPOTJXIJPF-UHFFFAOYSA-N	597.695	3.501	10	40	KHCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Cc1ccccc1Cl	408865526	CXIPADVCHRYCQG-UHFFFAOYSA-N	526.783	3.848	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	409062500	VSSIYRNKNRXUKJ-OCEWKHMESA-N	517.651	3.716	10	40	KHCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)SC1=S	409139550	OCNKQGALIWSYPM-BKUYFWCQSA-N	502.618	3.687	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NCCCN3CCOCC3)nc12	9007520	QVVVVDNTNKRYPJ-FXBPSFAMSA-N	527.716	3.671	10	40	KHCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1	408764440	IQGSWRJQUMMXKU-MOSHPQCFSA-N	618.443	3.965	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	408949389	HYEBSFUFGZBRIQ-VXLYETTFSA-N	517.450	3.578	10	40	KHCB	
Cc1ccc(C)c(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1	409258776	VXEFVZWIGPUJHX-UHFFFAOYSA-N	567.259	3.760	10	40	KHCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409261435	BUSBSYDPRGUKCF-XKZIYDEJSA-N	544.520	3.904	10	40	KHCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)c1C	409267744	WCIPEYDYQXTYSY-XKZIYDEJSA-N	514.494	3.896	10	40	KHCB	
Cc1cc(C(=O)CSc2nnc(-c3cccs3)[nH]2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	2662724	GKXJBZNQCVEDLS-UHFFFAOYSA-N	543.696	3.937	10	40	KHCB	
Oc1c(I)cc(I)cc1CN1CCC(N2CCCC2)CC1	48311424	BELAIFMSHRIIQS-UHFFFAOYSA-N	512.173	3.662	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCSc1ccccc1	101394373	IGXOVVQSNMVEGX-YHBINRDGSA-N	530.653	3.878	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O	101661006	TVOIALBOBYXRRD-YPAWHYETSA-N	532.892	3.952	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	141595443	KYTVPDJFEYKJSV-STGXNMSHSA-N	581.694	3.781	10	40	KHCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(I)c3)C(=O)NC2=S)c1	408741940	SXIWHJAZZMDXGC-AWNIVKPZSA-N	573.206	3.989	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCC	408944773	VBAGOABGKZXSEZ-OQLLNIDSSA-N	503.305	3.611	10	40	KHCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)C1=O	409219117	JCHFDAZYQGCYTN-VZUCSPMQSA-N	571.609	3.704	10	40	KHCB	
CC(=O)N/C(=C\c1ccc(Cc2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O	5723019	NJKTYQPOGPZXFS-UCQKPKSFSA-N	567.561	3.909	10	40	KHCB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6077419	BTQPTQZGTGJIMQ-HXUWFJFHSA-N	528.704	3.640	10	40	KHCB	
CCCCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1CC(=O)OCC	100496588	VFIODHRDORTCDU-YFMKTMAWSA-N	548.690	3.524	10	40	KHCB	
COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1[N+](=O)[O-]	408758458	KIHNTHWBLMTEFE-WUXMJOGZSA-N	586.136	3.945	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040221	XZMFTVIUZXMWIJ-QYIOYSLNSA-N	673.744	3.855	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409092151	VSKSPPLGSXEMIO-UHFFFAOYSA-N	572.147	3.735	10	40	KHCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409189715	RTGPRTQKQUEBMB-UDWIEESQSA-N	504.524	3.840	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	409192082	UNSNZMTXWITHEY-CSJROMOCSA-N	571.655	3.911	10	40	KHCB	
CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S	1451377	JNQIDJKQOAZLSC-HKWRFOASSA-N	509.632	3.690	10	40	KHCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Br)cc1	9264527	MOZDHXAAUFRSEI-CPNJWEJPSA-N	502.390	3.961	10	40	KHCB	
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CNCCc2ccc(O)c(O)c2)ccc1Cl	12624756	USAFHRUKKGSXBV-UHFFFAOYSA-N	504.008	3.737	10	40	KHCB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1	20060982	NUMCUXRNNMSLBM-UHFFFAOYSA-N	509.628	3.638	10	40	KHCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408848128	PVYIIVXWXATBSZ-RQZCQDPDSA-N	531.359	3.683	10	40	KHCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(C)cc1	408919249	VIGDYTPKJRLGCG-CXUHLZMHSA-N	536.391	3.834	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408936408	GDOJUXOVXRGYGJ-YBFXNURJSA-N	570.963	3.789	10	40	KHCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1C	409192901	GVJIREIAQHMVSM-YBFXNURJSA-N	520.523	3.540	10	40	KHCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC	8819513	NZDGSZATJJUREI-ODLFYWEKSA-N	502.570	3.728	10	40	KHCB	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H](C)O1	94303296	RDYXRPGVNWOQLW-YRKJKFEBSA-N	765.768	3.581	10	40	KHCB	in-vitro
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccccc1	103857101	NLGMOMNZWZLNIB-UHFFFAOYSA-N	536.391	3.868	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I	164395961	JSLSQEYRTAHWLL-IZZDOVSWSA-N	619.206	3.576	10	40	KHCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1	223187111	RQRBUBWOPMMPOE-UIOOFZCWSA-N	519.671	3.882	10	40	KHCB	
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccco1	408527751	AACBJVGOBBAMTK-VBKFSLOCSA-N	528.258	3.770	10	40	KHCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1	409268620	WQYWEAZGBDZEAK-HMAPJEAMSA-N	500.467	3.587	10	40	KHCB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2OC)c1	101393732	OWBQULMAOCWFBC-VZKFJVGXSA-N	542.639	3.645	10	40	KHCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)O)c(OCC)c3)C2=O)c1	103844169	MKKJFVYMTKLXSG-CXUHLZMHSA-N	577.384	3.775	10	40	KHCB	
COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1	225951347	KYWXCDCWWAFRFI-UHFFFAOYSA-N	503.676	3.899	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1	409067423	YBFODVARAZNIKK-VCHYOVAHSA-N	649.375	3.642	10	40	KHCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F	409273669	KUMAPBYURKKNSP-YVLHZVERSA-N	522.461	3.524	10	40	KHCB	
CCOC(=O)[C@@H](C)Oc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1	409400336	OREQJXSYJSLZDN-NLKUQUHMSA-N	535.553	3.897	10	40	KHCB	
COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S	1867614	PCPBTIFTVNIILJ-VHEBQXMUSA-N	521.542	3.909	10	40	KHCB	
Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C	103447353	BJORDACYXILTAC-KGENOOAVSA-N	536.635	3.833	10	40	KHCB	
CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	103845057	KAFUWTIHITZGBV-IWTIEGKHSA-N	564.332	3.872	10	40	KHCB	
Cc1cc(O)c([C@@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c2c1C[C@](C)(O)[C@@H](c1ccc(O)c(O)c1)O2	256007879	VWKAFYWVDIOMSL-PFMFHPBYSA-N	590.581	3.988	10	40	KHCB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408686172	MSABIQWEKUWIHN-SDHSZQHLSA-N	532.593	3.688	10	40	KHCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1	409063994	BCRWCUKIZKGJOY-LDADJPATSA-N	543.351	3.589	10	40	KHCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(=O)N1CCOCC1	409202056	YTBGJCWTFKFUMA-CFRMEGHHSA-N	585.748	3.772	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19940399	CSCNTEBOZQSEHI-MHZLTWQESA-N	529.645	3.949	10	40	KHCB	
Cc1ccc(C)c(OCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	41077866	APAHSSBPEHBTKB-VZKFJVGXSA-N	521.624	3.958	10	40	KHCB	
CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408844031	IBSMTAVENMDJEU-RQZCQDPDSA-N	578.359	3.525	10	40	KHCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCN(CCO)CC2)c1O	20170702	UAQLMXCPROMYSW-UHFFFAOYSA-N	504.631	3.848	10	40	KHCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	103750723	CZOOMVRALINZBX-RQLGBQGVSA-N	556.482	3.635	10	40	KHCB	
COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	408856485	IWCWYCXVOLKDNZ-AWNIVKPZSA-N	556.138	3.569	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409364611	QLAUFNWLOLOLBO-BKUYFWCQSA-N	548.483	3.817	10	40	KHCB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1	1382371	LCNRMUITNGNWBM-HHHXNRCGSA-N	525.613	3.639	10	40	KHCB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)c1	97964823	BLMYHTCXOACFLU-QVKWDTFWSA-N	542.639	3.800	10	40	KHCB	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccc(F)cc1	409362031	FFRQWWNMCAZFQU-ODLFYWEKSA-N	509.877	3.869	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC	2049580	VXGGCCBFYKUIBR-BIWBSIMWSA-N	571.655	3.913	10	40	KHCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	6232864	DXXKWQSQRSLGGW-QBXVKSGMSA-N	510.974	3.891	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC	408740441	KRDKLPJVKIMTIY-NTUHNPAUSA-N	557.138	3.737	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	408978677	AKDFZYURTCLONJ-GKTKDVHMSA-N	571.655	3.943	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409055923	BTQRMVGSCIBASD-QPJBPQEWSA-N	577.703	3.814	10	40	KHCB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C	6442822	RUAYPMBPHMRSQW-XMMPIXPASA-N	534.686	3.954	10	40	KHCB	
COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(I)cc4)N=C3C)cc2)nc(OC)n1	8440974	AYEZXTMIKHBBGX-UYRXBGFRSA-N	620.429	3.618	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cc(OC)ccc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1	19940635	LNZWHIMAVSBYTG-MHZLTWQESA-N	529.645	3.949	10	40	KHCB	
O=C1/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	102622632	ZUMAWSXUMIEUCD-SWEABUAFSA-N	578.491	3.638	10	40	KHCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(I)c3)C2=O)cc1	100215918	ZYPSNMHUSFGGSF-NTUHNPAUSA-N	604.138	3.579	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1	100336509	VWCKWMXBUHPCEO-CUNXSJBXSA-N	532.670	3.624	10	40	KHCB	
O=C1[C@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1	100369502	OBSXPFFGNRSMHP-FSSWDIPSSA-N	563.347	3.982	10	40	KHCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1C	101394140	BZQWLDQEXJHQCJ-MBYGRGGXSA-N	542.639	3.781	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409405605	IBXDMSJJHUIOIY-ODLFYWEKSA-N	587.345	3.918	10	40	KHCB	
COc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	101148917	YIHGFGSMKBPTJM-BKUYFWCQSA-N	530.924	3.724	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408759017	WMHBOFCZPHNWFQ-BKUYFWCQSA-N	583.600	3.601	10	40	KHCB	
COc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)cc3)C(=O)N(c3ccc(OC)cc3)C2=S)cc1	408989186	KJHPKDKEHWTCBD-UHFFFAOYSA-N	518.547	3.916	10	40	KHCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	409404096	BXDKBICOMUQSCJ-UNOMPAQXSA-N	522.355	3.937	10	40	KHCB	
Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1	8777663	XYDLXGRTMCDNPI-OYKKKHCWSA-N	522.583	3.540	10	40	KHCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1	20207179	DOMBUIJPLJOIFS-OEMPCWLZSA-N	512.613	3.853	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccc(C)cc1	20207322	BZNULDUCDQFHME-RQUXIJKASA-N	512.613	3.982	10	40	KHCB	
COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108450155	QRNVBSDQDHBBBP-CQSZACIVSA-N	531.473	3.525	10	40	KHCB	biogenic
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12	409139934	CDUPIQYEIIXWDF-GVWWDMIMSA-N	513.685	3.879	10	40	KHCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	9345604	RVOVFVNHDQGRQF-GSSIAHSFSA-N	522.652	3.529	10	40	KHCB	
COc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)cc1	97964510	ATHXRUWSURLNOZ-NKFJNAIASA-N	537.623	3.740	10	40	KHCB	
CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	100870072	OYPDHXRTJQYLNM-QOCHGBHMSA-N	535.695	3.649	10	40	KHCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	103806048	CLMYMLAYLOXUPI-HUUCEWRRSA-N	593.668	3.950	10	40	KHCB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	408852303	SDIZQEYTXYWKGQ-UXBLZVDNSA-N	577.183	3.893	10	40	KHCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(I)o3)C2=O)c1	408951294	IONDFFXWKYXDSG-IZZDOVSWSA-N	501.074	3.622	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	409009093	VYEDICGEJSSPGY-UHFFFAOYSA-N	555.587	3.906	10	40	KHCB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1	409064412	CJORZMFDLQBSKY-PVPFEYIBSA-N	581.694	3.781	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	2070092	UIIOWDVPNXHSHN-PBMMVTTKSA-N	505.640	3.653	10	40	KHCB	
COCCCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S	2399444	CWMWXNHXPLMHKA-QNGOZBTKSA-N	506.653	3.803	10	40	KHCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c(C)c1	408955463	UMTBOMGQNGBODG-RGVLZGJSSA-N	501.495	3.584	10	40	KHCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1	409363245	KPGZADHNPBTMRX-HZHRSRAPSA-N	503.486	3.908	10	40	KHCB	
CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1	12480891	WXMNOLHALBOSGP-DWACAAAGSA-N	530.604	3.706	10	40	KHCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)c2C)cc1	12524861	SMGDVSZFMAOTFN-UHFFFAOYSA-N	512.584	3.592	10	40	KHCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2	103857165	KVTJMKHXPQFOMG-UHFFFAOYSA-N	580.400	3.596	10	40	KHCB	
COc1ccc(S(=O)(=O)Nc2nc(-c3csc(NS(=O)(=O)c4ccc(OC)cc4)n3)cs2)cc1	104814438	YQJGODDDKAINRK-UHFFFAOYSA-N	538.654	3.885	10	40	KHCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	225367795	YRNNEOGFOMLKOW-JOCHJYFZSA-N	529.703	3.762	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(I)cc1	408915173	VNPYUVJWCVVVPD-VGOFMYFVSA-N	634.233	3.740	10	40	KHCB	
COc1ccc(O)c([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccc3c(c2)OCO3)c1	668952	VHOVVJSETBDMEB-NRFANRHFSA-N	512.316	3.804	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC(C)C	2773434	WWECCFPCPLUDRN-OQLLNIDSSA-N	506.296	3.753	10	40	KHCB	
C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1)c1ccccc1	9191661	MHHAHZKCXLXQBH-NXOPLNNASA-N	503.584	3.695	10	40	KHCB	
COc1ccc(N2CCN([C@@H](c3cc4cccc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)cc1	19826349	SWZHRORCYOTPSN-NDEPHWFRSA-N	521.625	3.792	10	40	KHCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1	97964500	GECMUVMUOHFUCT-WPTKKBASSA-N	530.653	3.796	10	40	KHCB	
O=C1/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	97968900	ZUMAWSXUMIEUCD-RQNDZEIBSA-N	578.491	3.638	10	40	KHCB	
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N=C(O)N(c2ccc(F)cc2)C1=O	97969952	BZESXNVWPTVZNI-CIAFOILYSA-N	529.480	3.510	10	40	KHCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cc(Br)c2OC(C)=O)C1=O	408536148	PYNLPMFSMGFNPR-JYRVWZFOSA-N	538.148	3.812	10	40	KHCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)ccc1Br	408751619	AMYRMAZRWXISSL-VZUCSPMQSA-N	572.109	3.642	10	40	KHCB	
CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)c(Br)cc21	408534326	QJECZSZJCGUTLD-NTCAYCPXSA-N	526.391	3.801	10	40	KHCB	
Cc1cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1Br	408689212	ROEXXKPAOWWQPX-RZUBCFFCSA-N	525.399	3.802	10	40	KHCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nnnn4-c4ccccc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408992063	QHUSHCWOIQBEOD-LMTOTAIGSA-N	613.725	3.584	10	40	KHCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1	409087723	HJUNGLRYXUUKQS-LDADJPATSA-N	532.421	3.748	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1O	409251188	ZZNJPKRIQSAKAR-LFYBBSHMSA-N	548.280	3.856	10	40	KHCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	409382957	PMRYUACRRNYMNK-WQRHYEAKSA-N	550.911	3.941	10	40	KHCB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(F)cc2)cc1OC	10113595	QSJKCSJTAPICDM-UHFFFAOYSA-N	527.618	3.955	10	40	KHCB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	13671256	AGGMAIRPBTYOQO-UHFFFAOYSA-N	514.047	3.997	10	40	KHCB	
COc1cccc(OCCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1	97964508	VLOSCDNNJJBQKP-SMTYPRMSSA-N	537.623	3.740	10	40	KHCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)CC	408533260	JSEHLRPIOXSKCU-WJDWOHSUSA-N	534.306	3.672	10	40	KHCB	
O=C(O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	408776329	YQWJZSNBWJHWEF-LFYBBSHMSA-N	668.634	3.844	10	40	KHCB	
COc1ccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3Cc3ccco3)CC2)cc1	1382051	CPLJRDIVPKODHT-HHHXNRCGSA-N	525.613	3.693	10	40	KHCB	
O=C(O)CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3I)cc2)SC1=S	2932768	RYIHRMGNQOGLPJ-OQLLNIDSSA-N	525.345	3.796	10	40	KHCB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc2)nn1	101001351	DKBUBGXZVLOHSH-PDGQHHTCSA-N	576.081	3.779	10	40	KHCB	
COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	108450159	QRNVBSDQDHBBBP-AWEZNQCLSA-N	531.473	3.525	10	40	KHCB	biogenic
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OC)C2=O)cc1	409039266	CDEOTEXELWUWJE-RIYZIHGNSA-N	538.148	3.673	10	40	KHCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409067651	PANIFGPCHNKIOR-XDHOZWIPSA-N	557.924	3.691	10	40	KHCB