smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1ccc([C@@H]2CCc3ccccc3N2C(=O)c2ccccc2)cc1 36381149 USTHYIAFNZXSAZ-QHCPKHFHSA-N 356.469 5.087 10 1 FKCF CCN=Nc1c(C)cc2cc(C)c(N=Nc3ccc(C)cc3)c(N)c2c1O 2356811902 BQZXAFYCMFEGMX-UHFFFAOYSA-N 361.449 6.572 10 1 FKCF CCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1 95581779 QCOOXQIBLRSNNZ-UHFFFAOYSA-N 357.457 5.209 10 1 FKCF Cc1cccc2c(Nc3ccc(/C=C/C(=O)O)cc3)c3ccccc3nc12 169322375 JDCJCWRLUVQROK-SDNWHVSQSA-N 354.409 5.538 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3c2)cc1 586898669 SBNWIMXPXCGJHG-UHFFFAOYSA-N 371.440 5.189 10 1 FKCF O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1 101851526 UKDSFHJOPFEAOG-WCWDXBQESA-N 371.396 5.025 10 1 FKCF C[C@@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 169727570 AZDDICUJFBRJFV-LDJRNAMNSA-N 352.441 6.066 10 1 FKCF Cc1ccc(C)n1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511524 HFYWLTGHLQOHBN-XMMPIXPASA-N 371.480 5.679 10 1 FKCF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 587968974 KBVKVESKSJFUET-ZIAGYGMSSA-N 372.468 5.268 10 1 FKCF [N-]=[N+]=NC[C@H](O)CCC/C=C\CCCCCCC/C=C\CCCC(=O)O 1857575173 AQLYVYVNPRMSLB-DPTNXLIISA-N 365.518 5.926 10 1 FKCF COc1ccc(OC)c(-c2ccc(O)c(CNC3CCCCCCC3)c2)c1 45320458 YIQFSZTVSRZPAY-UHFFFAOYSA-N 369.505 5.279 10 1 FKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc3ccccc3c2O)N1 962958769 VACJHNNEANTYPO-UPCLLVRISA-N 356.469 5.215 10 1 FKCF Cc1ccc(C(C)C)c(OCC(=O)N=Nc2c(O)n(C)c3ccccc23)c1 617989190 QNQFFAXNJIZTQN-UHFFFAOYSA-N 365.433 5.005 10 1 FKCF Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1 66099849 KKSYGXDYVXQMHH-UHFFFAOYSA-N 353.347 5.294 10 1 FKCF Cc1ccc2nc(/N=N/[CH-]c3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1 169700601 RIEQJGNAHUJUOA-DARPEHSRSA-N 372.364 5.400 10 1 FKCF [N-]=[N+]=NCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 36159045 QGPCJITWIDSYPE-UHFFFAOYSA-N 362.176 5.050 10 1 FKCF Fc1cc(Nc2ccncc2)cc(F)c1NCCc1c[nH]c2ccccc12 149237020 YHIXEQTZRNOQOM-UHFFFAOYSA-N 364.399 5.239 10 1 FKCF O=C(O)c1ccc(N[C@H](c2ccccc2)c2ccc3ccccc3c2O)cc1 653786104 SWAUPVBFZRAFSM-JOCHJYFZSA-N 369.420 5.445 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4coc5cc(F)ccc45)[nH]c3c2)cc1 587175394 RHCALXLRLXUQBG-UHFFFAOYSA-N 359.360 5.490 10 1 FKCF COc1cccc(-c2cc(-c3sccc3O)nc3c2oc2ccccc23)c1 587364354 BZXFMCKXHVBZAN-UHFFFAOYSA-N 373.433 6.091 10 1 FKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)cc(O)c1O 14693338 ZLQKZPMAXCSTJG-VZRGJMDUSA-N 356.506 6.180 10 1 FKCF endogenous,in-man Nc1ccc(Oc2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)cc1 587969235 ZUEGDZLRJSULCI-UHFFFAOYSA-N 371.484 5.777 10 1 FKCF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)cc(Cl)c1O 39194360 LJXLDKNBUBLQPF-UHFFFAOYSA-N 367.832 5.080 10 1 FKCF COc1cccc([C@H](C)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587932396 UBIOEGNXDYMRJR-OAHLLOKOSA-N 373.456 5.292 10 1 FKCF C(\C1=C2Sc3ccccc3N2CC1)=C1\CC[n+]2c1sc1ccccc12 1496703 HEZXQAGUUUWOJB-UHFFFAOYSA-N 361.515 5.204 10 1 FKCF Cc1nc(C2CC2)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587013186 YNOJJEOVEOGNFV-UHFFFAOYSA-N 362.458 5.247 10 1 FKCF Cc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1C 587196870 ZPVADUDZSNXXJN-UHFFFAOYSA-N 369.472 6.328 10 1 FKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(Br)s1 169687919 OEEBELIKFZUNPR-ZQHZZJAZSA-N 352.282 5.965 10 1 FKCF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1Cl 169334157 AGWGHNGJJCOWQV-UHFFFAOYSA-N 351.833 5.375 10 1 FKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C)c3ccc(C)cc13)CC2=O 587470887 MTJCPIWPFHXFPI-NRFANRHFSA-N 363.457 5.160 10 1 FKCF Fc1cc(Cl)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587077999 DWULOBZVVFVNNP-JKDFXYPNSA-N 374.246 5.835 10 1 FKCF COc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3c(ccc4ccc(O)cc34)O1)N2C 2382236334 GVSQKBSMNSSQNL-DEOSSOPVSA-N 373.452 5.084 10 1 FKCF Cc1cc(C)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 587277344 UCCHTJJEVLNULQ-CKJXQJPGSA-N 374.444 5.223 10 1 FKCF CCOC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841835 SRHMDLJLPSEIFK-UHFFFAOYSA-N 357.413 5.700 10 1 FKCF CCn1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514492 GBJRJFODGLRAID-JOCHJYFZSA-N 359.469 5.555 10 1 FKCF CC(C)(C)c1cc(CC2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O 102965529 UANSDJOURCHRJR-UHFFFAOYSA-N 364.485 5.225 10 1 FKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(O)cc1)c1ccccc1O 963221851 AWWBTPIIGKMIJW-CJAUYULYSA-N 373.496 5.046 10 1 FKCF Cc1cc(C)c2[nH]c(O)c(/N=N\C(=O)c3cc4c(s3)CCCC4)c2c1 13120614 QHSIUVMJKJGVLP-DQRAZIAOSA-N 353.447 5.355 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CSc2ccccc21 587415256 QTTWMIUTYCQPQV-HSZRJFAPSA-N 373.477 5.092 10 1 FKCF Cc1c(F)cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1F 587132700 JSWOUBZGFXNJHL-UHFFFAOYSA-N 351.356 5.191 10 1 FKCF O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 49034616 UEFGZIAVUWAUSY-FHSNZYRGSA-N 360.240 5.518 10 1 FKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 587514413 XRMNNUASPBQEIW-XMMPIXPASA-N 371.480 5.679 10 1 FKCF CN(CCCN1c2ccccc2Oc2ccccc21)CCc1ccccc1 299826180 ZJEUSMOJVJPSNI-UHFFFAOYSA-N 358.485 5.495 10 1 FKCF Cc1cc(-c2csc(-c3cccnc3N)n2)c(C)n1-c1ccccc1F 587922650 RUASXEIZMMTTRD-UHFFFAOYSA-N 364.449 5.001 10 1 FKCF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1C[C@@H](CCCN=[N+]=[N-])[C@@H]2O 28655120 GABMQPCRXRCFBL-OQJMNXIRSA-N 373.541 5.276 10 1 FKCF Clc1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169724114 CBHBIFDTGLYYOU-SOYKGTTHSA-N 372.859 6.158 10 1 FKCF Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(F)cc4F)[nH]c3c2)cc1 587150580 NENJILULVNYVQJ-SGAXSIHGSA-N 363.367 5.386 10 1 FKCF Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@H]3C=CC[C@@H]31)OCO2 169302124 YOLTZIVRJAPVPH-AGMRTUQYSA-N 370.246 5.004 10 1 FKCF COc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3c(ccc4ccc(O)cc34)O1)N2C 2382236335 GVSQKBSMNSSQNL-XMMPIXPASA-N 373.452 5.084 10 1 FKCF O=C(O)/C=C/C=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26935305 ZCAHIXFFORBBGS-VIKAGGQVSA-N 366.420 5.786 10 1 FKCF CCOC(=O)c1cc(C)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1C 587943988 UQIZFZSYZJKFBN-UHFFFAOYSA-N 355.384 5.216 10 1 FKCF O=C1C(=O)[C@H](CCC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 169714718 CEBMYVUPLIIHLP-AXVVYFOYSA-N 352.474 5.028 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccc(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587275377 CXYURLRQBFUUDP-XFQAVAEZSA-N 374.444 5.223 10 1 FKCF Cc1cc2c(cc1C)-c1oc(CNc3cccc(F)c3)c(C)c1C(=O)C2=O 1857636394 MAUDQUPICUORQZ-UHFFFAOYSA-N 363.388 5.002 10 1 FKCF CCCN1[C@H](c2c(O)ccc(Cl)c2Cl)c2ccccc2C[C@H]1C 963243966 UXAWIAOCZZYSNQ-BLVKFPJESA-N 350.289 5.445 10 1 FKCF Cc1ccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)cc1 1857537088 ICEJUKBJLVXGOH-UHFFFAOYSA-N 367.516 5.213 10 1 FKCF CCCN1CCc2cc(-c3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 43013693 DSINXCRDVCZBKB-OAQYLSRUSA-N 371.480 5.297 10 1 FKCF in-vivo COc1ccc2nc(/N=N/c3ccc(N(C)C)c4ccccc34)sc2c1 82151408 VPSVMUSOVIOXIZ-GHVJWSGMSA-N 362.458 5.940 10 1 FKCF CCn1c(=O)cc(C2CC2)c2cc(-c3[nH]c(C)nc3-c3ccccc3)ccc21 1857598223 BWZBSJUUEOEYTE-UHFFFAOYSA-N 369.468 5.264 10 1 FKCF CCc1ccc(CC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587940861 KWIDNBWFYXTHHZ-UHFFFAOYSA-N 371.522 6.869 10 1 FKCF CC(C)n1c(O)c(/N=N\c2ccc(Cl)c(C(=O)O)c2)c2ccccc21 13637435 RVMGZNBUWVCKDW-MRCUWXFGSA-N 357.797 5.695 10 1 FKCF CC(C)CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841658 BPAUODRVMLMBFI-UHFFFAOYSA-N 369.468 6.116 10 1 FKCF COc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587194830 BTNNIBAOAHGYJY-UHFFFAOYSA-N 371.444 5.720 10 1 FKCF CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc1 618016603 IJDKDDNYDGBEJN-QHCPKHFHSA-N 361.489 5.768 10 1 FKCF CCCN1[C@@H](c2ccc(-n3c(C)ccc3C)cc2)c2ccccc2C[C@H]1C 963221296 ABPRHCAHLMQAJB-NLFFAJNJSA-N 358.529 5.840 10 1 FKCF CC(=O)N1c2ccc(Cl)cc2[C@H]2C=CC[C@@H]2[C@H]1c1cccc2ccccc12 12379453 MGIXZCJBXIHKQQ-ZCVJKFOLSA-N 373.883 6.261 10 1 FKCF Cc1cc(CNCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 653856849 NWQWVLULFXKFBW-UHFFFAOYSA-N 359.300 5.691 10 1 FKCF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C1=Cc1c(O)c(O)cc(C=O)c1O 2356384599 MPRXQLBIQIHTOG-CBJTVTONSA-N 358.478 5.262 10 1 FKCF CCCCC=CCCCCCCCC(=O)CCCCc1ccc(O)c(O)c1 2356504474 SSDILCQDXPFNLP-UHFFFAOYSA-N 374.565 6.857 10 1 FKCF Cc1c(F)ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587195994 OHMPFKUOQHZWMS-UHFFFAOYSA-N 373.435 6.159 10 1 FKCF O=C(O)Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 49110776 FULXALAFPHCRAQ-CKNLXJGOSA-N 374.267 5.447 10 1 FKCF Cc1c2c(nc3ccccc13)C(=O)c1cc(CCCC(C)C)ccc1C2=O 96914029 GINLNPRDXAJVNL-UHFFFAOYSA-N 357.453 5.297 10 1 FKCF O=C(O)[C@H]1CCCN(CCC=Cc2cccc(N=Nc3ccccc3)c2)C1 1857630563 JPHRIPYLXUCDMH-IBGZPJMESA-N 363.461 5.302 10 1 FKCF Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 103285096 LUEXRQCSMOTYKM-OAQYLSRUSA-N 362.860 5.710 10 1 FKCF CCCSC(=S)c1c(-c2ccc(C)cc2)nn(-c2ccccc2)c1O 1857770808 KYFIVTRYFZXPLI-UHFFFAOYSA-N 368.527 5.372 10 1 FKCF Cc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)n(C)c3ccccc23)c1 100703129 QNQFFAXNJIZTQN-GHVJWSGMSA-N 365.433 5.005 10 1 FKCF FC(F)(F)Oc1ccc(C/N=N/c2c(Cl)cncc2Cl)cc1 169690371 MQZXOMJASIOUCG-QZQOTICOSA-N 350.127 5.571 10 1 FKCF CC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078528 USTFXSKEBFQNJL-MDOVXXIYSA-N 363.848 5.245 10 1 FKCF Cc1cccc2c(Nc3ccc(OCCC(=O)O)cc3)c3ccccc3nc12 169322379 YJYYMABUDMOFSH-UHFFFAOYSA-N 372.424 5.294 10 1 FKCF CN(CCc1ccccc1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 39239944 LQAOWOYKJQYVTC-UHFFFAOYSA-N 361.529 5.713 10 1 FKCF O=C(O)c1cccc(-c2ccc(C/N=N/c3nc4ccccc4s3)o2)c1 169730145 UJTMIBDBDDARJG-LSDHQDQOSA-N 363.398 5.538 10 1 FKCF Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccccc3Cl)C2)ccc1O 103281076 ODZKIMLAULGGSH-OAQYLSRUSA-N 362.860 5.710 10 1 FKCF Cc1c(-c2ccc(O)c(O)c2)c(=S)oc2ccc(Br)cc12 299833281 KLGFIDMBTACTMG-UHFFFAOYSA-N 363.232 5.311 10 1 FKCF Cc1cc(-c2csc(-c3cccc(O)c3)n2)c(C)n1-c1ccccc1F 587922060 IMLXKBORHVMOGS-UHFFFAOYSA-N 364.445 5.729 10 1 FKCF CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC(C)C 53276280 BLQDBFSUOJKASP-UHFFFAOYSA-N 357.457 5.961 10 1 FKCF Fc1cccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)c1 1857537239 NIFIYXCUGWMAML-UHFFFAOYSA-N 371.479 5.043 10 1 FKCF Cc1ccc(C(C)C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587939502 BBQBTCLMXWJYQS-UHFFFAOYSA-N 371.522 7.176 10 1 FKCF CN(C)c1ccc(/C=C/c2ccnc3c(-c4ccccc4)cccc23)cc1 6375070 BHBRLVACMHSLEH-SDNWHVSQSA-N 350.465 6.138 10 1 FKCF Cc1cc(CNCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1911576212 YTWIWEBVEGVYHL-UHFFFAOYSA-N 358.407 5.403 10 1 FKCF Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(F)(F)F)cc1)N2 84668788 RQSBAGBHFJEURL-KEYYUXOJSA-N 351.318 5.810 10 1 FKCF Cc1ccc2ccc([C@@H](Nc3ccccc3)c3ccc(Cl)cc3)c(O)c2n1 95564518 UWHFNNRJLQAJFT-NRFANRHFSA-N 374.871 6.104 10 3 FKCF Oc1ccc([C@@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)c(O)c1 169724726 TXRIMWVFFGXNQX-LEWJYISDSA-N 354.409 6.043 10 1 FKCF Cc1cc(-c2csc([C@@H]3CCCOC3)n2)c(C)n1-c1ccccc1F 587922872 YEDTZJVKEBFQNO-OAHLLOKOSA-N 356.466 5.251 10 1 FKCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(C(C)(C)C)cc1 103225972 XFBZAGUOGQGWJC-UHFFFAOYSA-N 362.521 5.377 10 1 FKCF O=C(O)[C@@H]1CCCN(CCC=Cc2ccc(N=Nc3ccccc3)cc2)C1 1857630343 VMIHXEGNEZCDNK-LJQANCHMSA-N 363.461 5.302 10 1 FKCF Cc1ccc(C(=O)/N=N/c2c(O)[nH]c3cc(Br)c(C)cc23)cc1 103969802 UKEGAVYWSHKWDQ-QZQOTICOSA-N 372.222 5.177 10 1 FKCF O=C1CCCN1[C@@H](c1cccc2ccccc12)c1c(O)ccc2ccccc12 1772650834 HQWQYZDWHMAYGN-VWLOTQADSA-N 367.448 5.410 10 1 FKCF Cc1cccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c1 103187561 HLBBIDSICYRZFU-QPLCGJKRSA-N 354.413 6.144 10 1 FKCF Clc1ccc2c(/N=N/Cc3ccccc3Br)ccnc2c1 169686822 XZBJUKLPTGDNPY-QZQOTICOSA-N 360.642 5.935 10 1 FKCF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587168784 MDGOIWNUWSTVHO-ZDUSSCGKSA-N 363.392 5.217 10 1 FKCF Cc1cc(-c2csc(-c3ccc(N)cc3)n2)c(C)n1-c1ccccc1F 587922062 IRYKSBYEDQTWTM-UHFFFAOYSA-N 363.461 5.606 10 1 FKCF CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2cc(Cl)ccc12 12243850 YDSJOXQUGFFAKB-INIZCTEOSA-N 369.940 5.964 10 1 FKCF CC(=O)Nc1ccc(C/N=N/c2c(Cl)cc(Cl)cc2Cl)cc1 169690352 CUCXFWVJFLQCGP-XUTLUUPISA-N 356.640 5.889 10 1 FKCF CCOC(OCC)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921875 DORTZTHIZLTGAP-UHFFFAOYSA-N 374.481 5.428 10 1 FKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1C 587277441 WAYNIPIBKIKKMN-GCKMJXCFSA-N 374.444 5.223 10 1 FKCF O=C1c2ccccc2-c2nc(-c3ccc(O)cc3)cc(-c3ccccc3O)c21 1857635594 OTXMXKKLIQNWSP-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF CSc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)C)c2c1 28019255 LTDQDXFMNUDCAS-UHFFFAOYSA-N 359.926 5.127 10 1 FKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(O)cc1)c1ccccc1O 963221848 AWWBTPIIGKMIJW-AVRWGWEMSA-N 373.496 5.046 10 1 FKCF C[C@H](N=O)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 169713712 XSYFBBBPBUXWCC-APPDUMDISA-N 364.492 5.120 10 1 FKCF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-n2c(C)ccc2C)cc1 963221292 ABPRHCAHLMQAJB-CPJSRVTESA-N 358.529 5.840 10 1 FKCF O=C(O)c1ccc([C@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1 4168317 KIOLLIIPTYWXJD-QNWVGRARSA-N 367.448 5.878 10 1 FKCF O=C(O)CCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26846950 PFPXDMURVHQDOX-UHFFFAOYSA-N 370.452 5.929 10 1 FKCF Cc1cc(N2CCCC2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515242 RLNDYKQREQBISV-HSZRJFAPSA-N 361.485 5.181 10 1 FKCF O=C(Nc1ccccc1Cl)c1ccccc1/N=N\c1c[nH]c2ccccc12 103191014 UVBVSBWMIIFQIV-QPLCGJKRSA-N 374.831 6.489 10 1 FKCF Cc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1 87722560 VLBXDZPUCXBWKB-SNAWJCMRSA-N 360.413 5.221 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@H](C)CC[C@H]3C(C)=CCC[C@]32C)c1 2356635979 RCRXILNRSJGNEM-FUKRKQLDSA-N 372.505 5.226 10 1 FKCF Cc1ccc(C(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1 587935711 PUWAKUVBANDDSN-UHFFFAOYSA-N 358.283 5.072 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@H](C)CC[C@H]3C(C)=CCC[C@@]32C)c1 2356635981 RCRXILNRSJGNEM-WSYSLKOQSA-N 372.505 5.226 10 1 FKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)o1 587922211 LIALJWJVJBVCMO-UHFFFAOYSA-N 352.434 5.925 10 1 FKCF C[C@@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1 169690358 IZFZLWCURGRGOW-GERIFHDVSA-N 374.611 5.291 10 1 FKCF C[C@@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1cccs1 169727578 KCKRMOXKTFGLAB-UEMQUKQSSA-N 358.470 6.127 10 1 FKCF COc1ccc(O)c([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1 103912888 CRTIRWOPBWLZSP-OAQYLSRUSA-N 364.445 5.272 10 1 FKCF Cc1cccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)c1 1857536859 JYXSUAMINMYZMG-UHFFFAOYSA-N 367.516 5.213 10 1 FKCF Cc1ccnc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c12 587195365 IJNSAEMGECGDLG-UHFFFAOYSA-N 356.433 5.415 10 1 FKCF CCOC(=O)c1c(O)csc1Nc1ccc(Cl)c(C(F)(F)F)c1 169730441 SAHMXCNZNRCQTH-UHFFFAOYSA-N 365.760 5.046 10 1 FKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 587514412 XRMNNUASPBQEIW-DEOSSOPVSA-N 371.480 5.679 10 1 FKCF CC[C@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924420 XROHBNDIXMMLFD-ZDUSSCGKSA-N 356.560 6.453 10 1 FKCF COC(=O)c1cc(-n2c(C)ccc2C(C)C)c(Cl)cc1Br 587936285 HXCITFSYVUYHIH-UHFFFAOYSA-N 370.674 5.112 10 1 FKCF Cc1ccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)cc1 1857537109 ONPCBAOSRYJMQZ-UHFFFAOYSA-N 367.516 5.213 10 1 FKCF Nc1[nH]c(/N=N\c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 8927382 OHQQJGGBAIQLIM-FCQUAONHSA-N 353.838 5.942 10 1 FKCF Cc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 34588299 YKIFPUSHPMDHGT-UHFFFAOYSA-N 355.268 5.752 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@H]3C(C)=CCC[C@@]32C)c1 238766324 RCRXILNRSJGNEM-MUDRNCSBSA-N 372.505 5.226 10 1 FKCF CCN1/C(=C\C=C/[C@@H]2C=Cc3ccccc3N2CC)C=Cc2ccccc21 101965372 HXATXDBGGTVKCE-CDCFKYJYSA-N 354.497 5.902 10 1 FKCF CCCCCCc1cc2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 473085564 XXQWWBJWTNWPOQ-UHFFFAOYSA-N 362.425 5.345 10 1 FKCF CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)c(C=O)cc(O)c1O 2356285604 ZLQKZPMAXCSTJG-UHFFFAOYSA-N 356.506 6.180 10 1 FKCF COCc1cc(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 13437240 YCNIFSHJDNZEIT-FJDVCKPCSA-N 358.522 5.301 10 1 FKCF biogenic Fc1ccc(-c2csc(/N=N/Cc3ccc4c(c3)OCO4)n2)c(F)c1 169728173 FESCESAMZLIVMD-LSDHQDQOSA-N 359.357 5.101 10 1 FKCF [N-]=[N+]=NC(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1 2178320045 BJUDNBKKQJGLHL-UHFFFAOYSA-N 369.424 6.130 10 1 FKCF COc1cccc([C@@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c1 95564753 MDOZEKOSAHOQPL-JOCHJYFZSA-N 370.452 5.459 10 3 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccc(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587275375 CXYURLRQBFUUDP-MRUHUIDDSA-N 374.444 5.223 10 1 FKCF Nc1ccc(Oc2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1 587024809 DCBSUUZSMHMUPP-UHFFFAOYSA-N 367.499 5.432 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161412 NOKNYJRWKWAAMR-RBUKOAKNSA-N 359.404 5.348 10 1 FKCF Cc1cc(Cl)cc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)c1O 962673226 YBNTWZCWUQMNFO-HSZRJFAPSA-N 363.888 5.430 10 1 FKCF Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 140370838 MYWGMSWBVBETON-UHFFFAOYSA-N 374.339 5.134 10 1 FKCF CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(Cl)c1 1772589291 FHBVLLLZGIEOFB-UHFFFAOYSA-N 351.901 5.334 10 1 FKCF Oc1ccc2ccccc2c1[C@H](NC1CCCCC1)c1ccc(Cl)cc1 143620363 DGUUZVKCEKLVKO-HSZRJFAPSA-N 365.904 6.211 10 1 FKCF Cc1ccccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921876 DOWQTOYDNZXCOF-UHFFFAOYSA-N 362.473 6.332 10 1 FKCF CC(=O)Nc1sc(/N=N/Cc2ccc(O)cc2)nc1-c1ccc(C)cc1 169688595 BESJWTFMJQXQMT-BSYVCWPDSA-N 366.446 5.066 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Cl)cc3[nH]1)N2 587078669 YWWVOTGFZNSHIC-JCGVRSQUSA-N 356.256 5.696 10 1 FKCF Cc1cc2c(n1-c1ccc(Oc3ccc4c(c3)CCC4)c(F)c1)CCCC2 587945404 OGCYLHPTNCCGFW-UHFFFAOYSA-N 361.460 6.085 10 1 FKCF Clc1ccccc1C/N=N/c1nc2ccccc2nc1Cc1ccccc1 169724115 ADNLHHZORGWZRU-SOYKGTTHSA-N 372.859 6.158 10 1 FKCF Cc1ccc(C(=O)/N=N/c2c3[nH]c4ccccc4nc-3c3ccccc23)cc1 169730526 HPYOIIWKVJDSGZ-CYYJNZCTSA-N 364.408 6.053 10 1 FKCF Oc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Sc2ccccc2N1 87612840 QDYZYVYQIFIQPE-WIYYLYMNSA-N 351.446 5.922 10 1 FKCF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@@H](C1)C2 101279834 IRXMRJWMAGHOQR-STQMWFEESA-N 353.857 5.606 10 1 FKCF Cc1cc2c(n1-c1cc(Cl)cc(Br)c1)CC(C)(C)CC2=O 308337693 FYQJDKJZRQUDLW-UHFFFAOYSA-N 366.686 5.357 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4cc(N)cc5ccccc45)[nH]c3c2)cc1 587251770 MNPGZTZABHNZRF-UHFFFAOYSA-N 366.424 5.340 10 1 FKCF CCN1C(=Cc2ccc3cc(Cl)ccc3[n+]2CC)C=Cc2ccccc21 1857536782 ODMQRQIHLNEBMF-UHFFFAOYSA-N 361.896 5.695 10 1 FKCF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587195139 GGTSQCAWZMANME-OAHLLOKOSA-N 372.472 5.155 10 1 FKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc4ccccc34)[nH]c21 49088399 UMCOPEJXWZMXEM-UHFFFAOYSA-N 374.399 5.159 10 1 FKCF O=C1Nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2/C1=C/c1cc[nH]c1 14956278 IHPGZWRZAMEWNG-MFOYZWKCSA-N 370.330 5.073 10 1 FKCF Clc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1 212325221 RQGHQZDHHNLISA-UHFFFAOYSA-N 358.832 5.530 10 1 FKCF COc1ccc2ccc(O)c([C@@H](c3cccs3)N3CCC(C)CC3)c2c1 653713125 AQJMJBANIMUGDQ-JOCHJYFZSA-N 367.514 5.437 10 1 FKCF CCCCN(CCCC)c1ccc([C@@H]2NCCc3cccc(Cl)c32)cc1 963391663 WGLQOPQQSDQANY-QHCPKHFHSA-N 370.968 5.982 10 1 FKCF O=C(OCCCCCCCCCCc1ccccc1)c1cccc(O)c1O 1857590843 RPCGXJZJXAVHLK-UHFFFAOYSA-N 370.489 5.618 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)cnc3[nH]1)N2 587078161 JLLCPJVQKUFDMF-OZVIIMIRSA-N 357.244 5.091 10 1 FKCF CN(C)c1ccc2[nH]c(Cl)c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c2c1 58592743 FETBWIGAGOFQCY-OQLLNIDSSA-N 372.255 5.033 10 1 FKCF Cc1sc2c(c1C)CCN[C@@]2(C)c1ccc(N2CCCCCC2)cc1 963005292 DSYGIXDBGHUKOE-QFIPXVFZSA-N 354.563 5.155 10 1 FKCF Cc1cccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c1C 98084395 UPVRJUNNSDINHZ-RQZHXJHFSA-N 368.440 6.452 10 1 FKCF Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]23)c(Cl)c1 101164109 NQIQRNIAYHHQBL-JLHGSKIFSA-N 366.291 6.973 10 1 FKCF Cc1ccc(C)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587938435 WRXHBWREYBNMPP-UHFFFAOYSA-N 353.465 6.340 10 1 FKCF C[C@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 169727573 VKGYHWFYDRAESS-FBQNGNFFSA-N 368.440 5.771 10 1 FKCF Fc1ccc(Nc2c(-c3ccccn3)nc3cc(C(F)(F)F)ccn23)cc1 2382237963 HSQWVAOJBNOBBX-UHFFFAOYSA-N 372.325 5.298 10 1 FKCF Cn1nc(-c2ccccc2)c2c(Cl)cc(C(=O)O)c-2c1-c1ccccc1 68586895 GFJYACJYICYFND-UHFFFAOYSA-N 362.816 5.211 10 1 FKCF biogenic O=C(O)c1cccc2c(-c3ccccc3)c(-c3cccc([N+](=O)[O-])c3)[nH]c12 587639037 YYNLOCSKNCRMFG-UHFFFAOYSA-N 358.353 5.108 10 1 FKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC)c3ccccc13)CC2=O 587470800 LZURRJKREVEMCC-OAQYLSRUSA-N 363.457 5.334 10 1 FKCF Cc1ccc([C@@H](C)/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727580 GYVMUYVMMLHSOG-UDYULJFISA-N 366.468 6.374 10 1 FKCF C[C@H](NCC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1O 299868115 QWPQTFRWJUISEY-UHSVVUDUSA-N 364.327 5.022 10 1 FKCF CC[C@@H](C(=O)O)c1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1 169322384 RVMAZKUAYXGDAB-GOSISDBHSA-N 370.452 6.018 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 587260018 LWKRVIOWBRKIHL-UHFFFAOYSA-N 358.190 5.017 10 1 FKCF Cc1cc(-c2csc(CC3CCCC3)n2)c(C)n1-c1ccccc1F 587922188 LFJBHIOJJQBNBX-UHFFFAOYSA-N 354.494 6.089 10 1 FKCF CCCN(CCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26579736 ANQDYJAYIFGZBM-UHFFFAOYSA-N 369.512 6.758 10 1 FKCF C[C@H](CCc1sccc1/N=N\c1c(O)ccc2ccccc12)CC(=O)O 15962064 ASVAWSJZAJVHOP-MPKYYTFTSA-N 368.458 6.066 10 1 FKCF CCc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 34588301 SIQDTIZBPQEDHQ-UHFFFAOYSA-N 369.295 6.006 10 1 FKCF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc1 103283006 JYDDUAAVNROIFL-JOCHJYFZSA-N 358.441 5.065 10 1 FKCF Fc1cc(F)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078526 UNNVVUNHQKGQGT-JKDFXYPNSA-N 357.791 5.321 10 1 FKCF CN1/C(=C/C=C/c2sc3ccccc3[n+]2C)Sc2ccc(Cl)cc21 169323914 FVOSXGKYBFVGPZ-UHFFFAOYSA-N 371.938 5.476 10 1 FKCF CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4cccnc4o3)cc2)cc1 18062572 XYKLAAMYYOXMHR-OCEACIFDSA-N 371.444 6.151 10 1 FKCF Clc1ccc2c(c1)/C(=C\CCN1CCCCC1)c1ccccc1S2 29486550 UONFEYAYBJCNHL-IUXPMGMMSA-N 355.934 6.112 10 1 FKCF CC1=CC[C@H](C[C@H](C)Oc2ccc(/C=C3/SC(O)=NC3=O)cc2)CC1 261125232 KCXMCDKKIBWBCH-XOTFQPJVSA-N 357.475 5.119 10 1 FKCF Cc1cc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c(C)n1 587196658 XBIBJWZVXLFBSW-UHFFFAOYSA-N 370.460 5.723 10 1 FKCF Fc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1F 587078512 TVZGXBVCPFZOMH-RVPKQNPDSA-N 357.791 5.321 10 1 FKCF Cn1cccc1CN1CCc2sccc2[C@H]1c1c(O)ccc2ccccc12 962402007 YHQFHBCOGJRFJO-QHCPKHFHSA-N 374.509 5.093 10 1 FKCF CC1(C)COc2c(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cccc21 586912980 YUSJDZAOVKAIOS-UHFFFAOYSA-N 371.440 5.274 10 1 FKCF Cc1ccc(C)n1-c1ccc(Br)cc1OCc1ccccc1 587941253 QUAGGJDZZWIWHO-UHFFFAOYSA-N 356.263 5.436 10 1 FKCF COc1cc(NC(C)=O)ccc1Nc1c2ccccc2nc2ccccc12 29348180 JNIVOHUWVKHQAK-UHFFFAOYSA-N 357.413 5.099 10 1 FKCF O=C1C(=O)[C@@H](CCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 169714721 CEBMYVUPLIIHLP-LJCCNALRSA-N 352.474 5.028 10 1 FKCF Cc1cc(-c2csc([C@H]3CCCOC3)n2)c(C)n1-c1ccccc1F 587922864 YEDTZJVKEBFQNO-HNNXBMFYSA-N 356.466 5.251 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCCO4)n3)c2C)c1 587924499 AULMTTFBHUMJTJ-IBGZPJMESA-N 370.543 5.791 10 1 FKCF O=C(O)[C@@H]1CCCN(CC/C=C/c2ccc(/N=N/c3ccccc3)cc2)C1 1857630882 VMIHXEGNEZCDNK-AQOUHXFMSA-N 363.461 5.302 10 1 FKCF CNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(C)c1 26840846 QECJHWKIHXTOJD-UHFFFAOYSA-N 356.429 5.191 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161411 NOKNYJRWKWAAMR-OALUTQOASA-N 359.404 5.348 10 1 FKCF C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1O 101392374 VGSQRECMCPQJNS-MDLVQSFPSA-N 358.478 5.262 10 1 FKCF Cc1ccsc1C/N=N/c1nc2ccccc2nc1Cc1ccccc1 169727585 VSWWHAGBGAPURX-YYDJUVGSSA-N 358.470 5.874 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C)c(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587277198 QMDBLPBSERMNCZ-XFQAVAEZSA-N 374.444 5.223 10 1 FKCF COc1ccc2ccc(O)c([C@H](c3cccs3)N3CCC(C)CC3)c2c1 653713126 AQJMJBANIMUGDQ-QFIPXVFZSA-N 367.514 5.437 10 1 FKCF CC(C)n1c(O)c(/N=N/c2ccc(Cl)c(C(=O)O)c2)c2ccccc21 101760702 RVMGZNBUWVCKDW-QZQOTICOSA-N 357.797 5.695 10 1 FKCF Cc1cccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)c1O 45374712 HOMOYDOJHAMLLJ-UHFFFAOYSA-N 364.420 5.074 10 1 FKCF CC[C@@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccccc1 169690384 LJPLTKCZMBJWDT-AQBNCOFJSA-N 372.639 5.975 10 1 FKCF C[C@@H](N=N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 169691558 WZPFRTRYPKJXBE-SNVBAGLBSA-N 356.223 5.050 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCCO4)n3)c2C)c1 587924500 AULMTTFBHUMJTJ-LJQANCHMSA-N 370.543 5.791 10 1 FKCF O=C1/C(=C/c2c(Cl)[nH]c3ccccc23)c2ccccc2N1c1ccccc1 26578791 RIAMCSQHTJHKHR-XMHGGMMESA-N 370.839 6.040 10 1 FKCF Cc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1F 587195369 IQZSFARFNPSJFW-UHFFFAOYSA-N 373.435 6.159 10 1 FKCF Nc1ccc(Oc2ccc3nc(COC/C=C/c4ccccc4)[nH]c3c2)cc1 587781874 YDINNXNSXMVUQC-QPJJXVBHSA-N 371.440 5.167 10 1 FKCF Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1O 14651577 JVTJXLKMWGQUTD-UHFFFAOYSA-N 354.534 6.784 10 1 FKCF biogenic C[C@@H](N=O)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 169713711 XSYFBBBPBUXWCC-PIGZYNQJSA-N 364.492 5.120 10 1 FKCF COc1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078076 GZQGUJUCDDGQLW-JCGVRSQUSA-N 351.837 5.051 10 1 FKCF Cc1nccc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c12 587195814 NVEHTOITPPBNFV-UHFFFAOYSA-N 356.433 5.415 10 1 FKCF CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 26651086 SYWWWBAWNCREPS-UHFFFAOYSA-N 355.869 5.226 10 1 FKCF Cc1nn(-c2ccccc2)c(Cl)c1C/N=N/c1nc2ccccc2n1C 169692002 PEABLCAOYCJYFD-XTQSDGFTSA-N 364.840 5.005 10 1 FKCF CN(Cc1ccccc1)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 103262364 ITXLGRAEBWMCLV-UHFFFAOYSA-N 357.453 5.361 10 1 FKCF Cc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(C)c(Br)c23)cc1 103969969 UXWSBFXLAKXPPP-QZQOTICOSA-N 372.222 5.177 10 1 FKCF Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]13)OCO2 13151536 YOLTZIVRJAPVPH-XAEJFWIOSA-N 370.246 5.004 10 1 FKCF Cc1cc(N2CCCC2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515244 RLNDYKQREQBISV-QHCPKHFHSA-N 361.485 5.181 10 1 FKCF Cc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)c(C)n2C 587514054 FEBWUXDJSZLEEB-QFIPXVFZSA-N 359.469 5.380 10 1 FKCF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CC)CC)cc1C)CC2=O 587471089 YVWJBGBNVQNPLK-QFIPXVFZSA-N 367.489 5.206 10 1 FKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C)c3cc(C)ccc13)CC2=O 587468858 BNSMKARZDURXJZ-NRFANRHFSA-N 363.457 5.160 10 1 FKCF O=C(Nc1cccc(Cl)c1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 103187654 DYVADOQPDCFCNO-QPLCGJKRSA-N 374.831 6.489 10 1 FKCF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)C1=Cc1c(O)c(O)cc(C=O)c1O 2356384602 MPRXQLBIQIHTOG-XJDIIYGHSA-N 358.478 5.262 10 1 FKCF Cc1ccc(C)c([C@@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c1 95564618 TVPCDBKWPDJXDZ-DEOSSOPVSA-N 368.480 6.067 10 3 FKCF Fc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587078250 MKLWKMUEVPGZKP-PISHQANHSA-N 357.791 5.321 10 1 FKCF O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 4131695 NZIKPNVRKKMIOU-PTGRRLNYSA-N 370.452 5.489 10 1 FKCF CN(C)c1ccc(/N=N/c2ccc(/C=C3\C(=O)Nc4ccccc43)cc2)cc1 95563223 GMYSOINRJLKZRC-RTKJFNHXSA-N 368.440 5.661 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cncc(Cl)c3[nH]1)N2 587078508 SZNGYLPMPMEQTH-USBNGQNGSA-N 357.244 5.091 10 1 FKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc3ccccc3c2O)N1 962958772 VACJHNNEANTYPO-VOIUYBSRSA-N 356.469 5.215 10 1 FKCF CCN(Cc1coc(-c2cccc3ccccc23)n1)c1ccc2c(c1)OCO2 72103146 YUQPGHHSVFZVLL-UHFFFAOYSA-N 372.424 5.250 10 1 FKCF CCCCOc1cccc2c1C(=O)c1c(OCCCC)cc(C)cc1C2=O 169343709 UZNHRNAYJXGJRH-UHFFFAOYSA-N 366.457 5.128 10 1 FKCF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CN=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@]12C 13760819 YTWNKJVSXXMYMF-HMWSDPSDSA-N 373.541 5.276 10 1 FKCF CCCN1CCc2cc(-c3ccccc3)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 43013691 DSINXCRDVCZBKB-NRFANRHFSA-N 371.480 5.297 10 1 FKCF in-vitro COc1ccccc1/N=N\c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 3877066 ISTFTATZQQNYEU-QPLCGJKRSA-N 354.413 6.168 10 1 FKCF Cc1cnc(SCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587207701 IYQBNIXHBKMXFJ-UHFFFAOYSA-N 374.490 5.503 10 1 FKCF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[n+]1ccccn1 29124834 ZTBVAUGEIUHTTN-DOFZRALJSA-N 367.557 6.155 10 1 FKCF Cc1ccc(C)n1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511523 HFYWLTGHLQOHBN-DEOSSOPVSA-N 371.480 5.679 10 1 FKCF Cc1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857635746 FYFPNCYMZWMPEG-UHFFFAOYSA-N 359.381 5.521 10 1 FKCF Clc1cccc(N/N=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 6040855 HBYYXZVMFQWKQB-UHFFFAOYSA-N 364.861 6.728 10 1 FKCF Cc1ccc(C(=O)N=Nc2c(O)[nH]c3ccc(C)c(Br)c23)cc1 617960164 UXWSBFXLAKXPPP-UHFFFAOYSA-N 372.222 5.177 10 1 FKCF COc1cncc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587195105 GCXNURCKGFZCKS-UHFFFAOYSA-N 372.432 5.115 10 1 FKCF CCOc1ccc(-c2n[n+]3c(C)cccc3c3ccc4ccccc4c23)cc1 13559575 VJJYMAFDHOFEGB-UHFFFAOYSA-N 365.456 5.501 10 1 FKCF CCOC(=O)c1sc2ccccc2c1/N=N/Nc1ccc(OC)cc1 299837225 JOZHILVANCRFQY-UHFFFAOYSA-N 355.419 5.197 10 1 FKCF Nc1nn2c(-c3ccco3)cc(-c3ccco3)nc2c1/N=N/c1ccccc1 1772622660 PKLSLORRMVLANV-WCWDXBQESA-N 370.372 5.247 10 1 FKCF Cc1cccc(C)c1-n1c(C)cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c1C 169692274 LBPIHOSLQWKNJM-GHVJWSGMSA-N 363.421 5.298 10 1 FKCF CC(=O)c1ccc2c(c1)/C(=C\CCN(C)C)c1cc(Cl)ccc1S2 40511626 QHHLFHJXDMYNFI-FZSIALSZSA-N 357.906 5.391 10 1 FKCF O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3cccc(Cl)c3Cl)c2c1 103966550 KOIXFWUMHJLOMB-VHEBQXMUSA-N 351.149 5.504 10 1 FKCF COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587078440 QYGYTYDKPOTSBQ-CRTZDJKQSA-N 369.827 5.191 10 1 FKCF Oc1ccc(CCCCCCCCCCCCc2ccccc2)cc1O 14651580 TWQAEQHXLKHMEH-UHFFFAOYSA-N 354.534 6.784 10 1 FKCF biogenic CCCCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 103204267 NEBODRBPPPGVOV-UHFFFAOYSA-N 355.869 5.227 10 1 FKCF Fc1ccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)cc1 1857538513 KINMQYKMEDBESL-UHFFFAOYSA-N 371.479 5.043 10 1 FKCF CC(C)N(CCC[C@@H](C)Nc1c2ccccc2nc2ccccc12)C(C)C 29563715 KUOMZDQBXHUPGW-LJQANCHMSA-N 363.549 6.087 10 1 FKCF O=C(O)c1cc(/N=N/Cc2ccc(-c3ccc(F)cc3)o2)ccc1Cl 169690818 ONFGRWBEYQTGRY-QURGRASLSA-N 358.756 5.721 10 1 FKCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(C(F)(F)F)cc1 103225957 QJFHESZDFUICBR-UHFFFAOYSA-N 374.410 5.098 10 1 FKCF Cc1ccc(C(=O)N=Nc2c(O)[nH]c3c(C)cc(Br)cc23)cc1 617960326 XBXJCEIKXQXOAB-UHFFFAOYSA-N 372.222 5.177 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)c1 13431222 NRCWDIHJNWCNBP-BOCKYXSRSA-N 372.505 5.226 10 1 FKCF biogenic Oc1c(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc12 4169982 PNJUUUNRFPGTPO-QGZVFWFLSA-N 357.240 5.291 10 1 FKCF Cc1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c(C)c1 587391294 UFVRIJAQDJZABU-HSZRJFAPSA-N 374.484 5.308 10 1 FKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)c1cc(O)c(O)c(O)c1 13513078 ICCHAXTXJXQCRL-BTMZFSHUSA-N 374.477 5.379 10 1 FKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1C 587277442 WAYNIPIBKIKKMN-VWKPWSFCSA-N 374.444 5.223 10 1 FKCF CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2cc(Cl)ccc12 12243849 YDSJOXQUGFFAKB-MRXNPFEDSA-N 369.940 5.964 10 1 FKCF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587168783 MDGOIWNUWSTVHO-CYBMUJFWSA-N 363.392 5.217 10 1 FKCF Cc1cc(C=O)c(C)n1-c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587210449 CBAAAOUNDJZPFK-UHFFFAOYSA-N 352.437 5.220 10 1 FKCF O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 4820645 RRCBSKUUIZVMFI-VEVIJQCQSA-N 359.347 5.230 10 1 FKCF O=C(c1ccc(N=Nc2ccccc2)cc1)c1coc2cc([N+](=O)[O-])ccc12 587279961 WTHMZGPBMKWDLN-UHFFFAOYSA-N 371.352 5.987 10 1 FKCF COc1ccc2[nH]c(C(=O)O)c(/N=N/c3ccc(Br)cc3)c2c1 1857557240 BJOPUPOIDDQQHW-FMQUCBEESA-N 374.194 5.053 10 1 FKCF COc1ccc(O)c(O)c1CC[C@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C 26151267 ITCMKMQTHHSCHB-XMGBXEQJSA-N 360.538 5.918 10 1 FKCF CC[C@@H](C(=O)O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847029 YZYCRCDYZBIVTR-QGZVFWFLSA-N 356.425 5.710 10 1 FKCF CC/C(=C(F)\C=C\C(C)=C\C(=O)O)c1ccc2c(c1)CCCN2C(C)C 26964398 JKDCFKHUINGQAP-JJMJITPISA-N 357.469 5.525 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3Cl)c2c1 72108490 PQLGXGGXVBBURX-UHFFFAOYSA-N 369.251 6.447 10 1 FKCF Clc1cccc([C@H](Cc2nc3ccccc3[nH]2)/N=N/c2ccccc2)c1 169692321 YBDIFVKUIDVYTC-QTJUSOIVSA-N 360.848 6.284 10 1 FKCF Nc1ccc2c(Nc3ccc(Br)cc3)c3ccccc3nc2c1 5162744 NVZJQBWRSSBKCD-UHFFFAOYSA-N 364.246 5.476 10 1 FKCF O=C(O)CCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845454 YPGCBIOHBACIGM-UHFFFAOYSA-N 372.424 5.375 10 1 FKCF C[C@@H](NCC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1O 299868116 QWPQTFRWJUISEY-XUXNNNHQSA-N 364.327 5.022 10 1 FKCF c1ccc(N=Nc2cc(CSc3ccccc3)c3cccccc2-3)cc1 2356836197 KYBQNNFQVBWEHD-UHFFFAOYSA-N 354.478 7.499 10 1 FKCF CCCC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26849187 DRLVWOSRLVHEKF-UHFFFAOYSA-N 355.441 5.870 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(NCCc3ccccc3)c2c1 45191396 YSPIBNBMHFZRID-UHFFFAOYSA-N 362.860 5.705 10 1 FKCF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@H](C1)C2 45284537 IRXMRJWMAGHOQR-QWHCGFSZSA-N 353.857 5.606 10 1 FKCF Cc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1 198904548 UMOOPCZGVUTNPA-OAQYLSRUSA-N 355.441 5.154 10 3 FKCF O=C(O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 4409813 WFPRFHVNTFKWKM-WVQJBOLRSA-N 360.240 5.518 10 1 FKCF Cc1ccc2c(ccc3c4ccc5ccccc5c4c(-c4ccccc4)n[n+]23)c1 40466321 HOJNSUQBJKEPNU-UHFFFAOYSA-N 371.463 6.255 10 1 FKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)cc1 587196294 SCZNKJXDXFNSOR-UHFFFAOYSA-N 360.396 5.245 10 1 FKCF CN(C)c1ccc(C(=C2C=CC(N(C)C)C=C2)c2ccccc2Cl)cc1 2356824970 HAHFAOUKRXGKDY-UHFFFAOYSA-N 364.920 5.264 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586882905 CVELYJITIHQJOS-SCCSSLRTSA-N 359.473 5.405 10 1 FKCF Cc1cc(-c2csc(-c3ccccc3O)n2)c(C)n1-c1ccccc1F 587922976 ZREDTDUMJBGZSE-UHFFFAOYSA-N 364.445 5.729 10 1 FKCF Cc1cc(C)c2[nH]c(O)c(N=NC(=O)c3ccc(Br)cc3)c2c1 617960171 YENUUYRLGKJLFW-UHFFFAOYSA-N 372.222 5.177 10 1 FKCF CC(=O)Oc1cc(O)c(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1 14822509 XDVXOTFLACDBRS-VZRGJMDUSA-N 372.505 5.985 10 1 FKCF CC/C(=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccc(C)cc1 587969219 ZSHARIRJKCRYPA-SAPNQHFASA-N 369.468 6.196 10 1 FKCF Cc1cc(C)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 587277347 UCCHTJJEVLNULQ-WHSLLNHNSA-N 374.444 5.223 10 1 FKCF Cc1cc(F)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587195819 NYRSVCNNPCSRMT-UHFFFAOYSA-N 373.435 6.159 10 1 FKCF Cc1sc2c(c1C)CCN[C@]2(C)c1ccc(N2CCCCCC2)cc1 963005282 DSYGIXDBGHUKOE-JOCHJYFZSA-N 354.563 5.155 10 1 FKCF CN(Cc1ccccc1)c1ccc(/C=C/c2ccnc3ccccc23)cc1 6375433 WKQNXJAPDXGCJY-SDNWHVSQSA-N 350.465 6.042 10 1 FKCF CCCC(=O)Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)O 12725943 HRXXVFOEIFIJEZ-UHFFFAOYSA-N 365.454 5.519 10 3 FKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(O)cc1)c1ccccc1O 963221852 AWWBTPIIGKMIJW-IQGLISFBSA-N 373.496 5.046 10 1 FKCF c1cc2c(cc1OCCCN1CCCCC1)CCCN2CC1CCCCC1 53274828 NYJYODFTHLFMNE-UHFFFAOYSA-N 370.581 5.274 10 1 FKCF Cc1cc(-c2csc(-c3ccsc3)n2)c(C)n1-c1ccccc1F 587922214 LJDFFMWWTVPNNH-UHFFFAOYSA-N 354.475 6.085 10 1 FKCF CC1(C)COc2c(NCc3ccccc3)ccc(C(=O)c3ccccc3)c2N1 602366 RGCOJZHFUCHUBV-UHFFFAOYSA-N 372.468 5.113 10 1 FKCF CC(C)(C)/C(O)=C/c1nc2ccc(C(=O)O)cc2nc1/C=C(\O)C(C)(C)C 103530600 CIXIXEJGAQALRN-IWSCKCOWSA-N 370.449 5.218 10 1 FKCF Oc1ccc(Br)cc1C/N=N/c1ccc(Br)cc1 169721398 WVKGAGDKWYSYDJ-WUKNDPDISA-N 370.044 5.201 10 1 FKCF Cc1ccc([C@H](C)/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727581 GYVMUYVMMLHSOG-BWBFJQJUSA-N 366.468 6.374 10 1 FKCF Nc1ccc(-n2c(-c3ccc(Br)cc3)nc3ccccc32)cc1 1911585388 IUINSXKVJWZMBR-UHFFFAOYSA-N 364.246 5.037 10 1 FKCF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1O 2356617860 VGSQRECMCPQJNS-FIRDEBMASA-N 358.478 5.262 10 1 FKCF Oc1c([C@@H](Nc2cccnc2)c2ccccc2)cc(Cl)c2cccnc12 1772619283 LUFVWZDWWYJCDI-IBGZPJMESA-N 361.832 5.190 10 1 FKCF COc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cn1 587196039 PGULFJCDUHBXOY-UHFFFAOYSA-N 372.432 5.115 10 1 FKCF Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(F)cc4F)[nH]c3c2)cc1 587150582 NENJILULVNYVQJ-WTDSWWLTSA-N 363.367 5.386 10 1 FKCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc2ccccc12 103225985 NFCHGHUEZLEGMI-UHFFFAOYSA-N 356.473 5.232 10 1 FKCF O=C1N=C(c2ccc3ccccc3c2)S/C1=C\c1ccc2[nH]ccc2c1 84757275 ZNRDDZVNCSEYGW-NDENLUEZSA-N 354.434 5.382 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(N=Nc3ccccc3)ccc1O)O2 587387666 RIGDFUCDQPOYMI-OAQYLSRUSA-N 373.412 5.405 10 1 FKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)cc1 587951550 OGBSPOALWLKRDT-UHFFFAOYSA-N 371.440 5.536 10 1 FKCF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1OC(=O)C=Cc1ccc(O)c(O)c1 2356630420 PCUAJYJVONNANK-LSWJPFSZSA-N 370.489 5.205 10 1 FKCF C[C@@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 169727582 VTXLFUAIEBZOTM-NWKGHFSSSA-N 367.456 5.648 10 1 FKCF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(Cl)c2ccccc2c1O 963260524 XQSKLNAMNQQUFB-LJQANCHMSA-N 374.267 5.096 10 1 FKCF CCOC(=O)c1c(O)csc1Nc1ccc2cc3ccccc3cc2c1 169730430 PMRKZNMVICIUMV-UHFFFAOYSA-N 363.438 5.680 10 1 FKCF Nc1ccc(Oc2ccc3nc(CCc4ccccc4Cl)[nH]c3c2)cc1 587057758 DLOSZOGXYNGIJA-UHFFFAOYSA-N 363.848 5.376 10 1 FKCF Cc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3ccccc3O)C2)cc1 4730022 AEDVTYDYLUKUJK-LADGPHEKSA-N 356.469 5.232 10 1 FKCF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(S(=O)(=O)N=[N+]=[N-])cc1 27518502 WSMINSRWJTXWBI-MSOLQXFVSA-N 359.451 5.079 10 1 FKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922034 HIBWPXRPVRGDTG-UHFFFAOYSA-N 362.473 6.332 10 1 FKCF CCN1/C(=C\C=C/[C@H]2C=Cc3ccccc3N2CC)C=Cc2ccccc21 101965370 HXATXDBGGTVKCE-UTLVZKEYSA-N 354.497 5.902 10 1 FKCF CC[C@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccccc1 169690385 LJPLTKCZMBJWDT-MUQGCMKUSA-N 372.639 5.975 10 1 FKCF Cc1c(F)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587077788 AADOGAHEFIOUKJ-QUJCMNEKSA-N 353.828 5.490 10 1 FKCF C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1cccc2ccccc12 45316690 DUQXORYAFWHLHU-SFHVURJKSA-N 353.465 6.063 10 1 FKCF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(O)ccc(Cl)c1Cl 963243969 UXAWIAOCZZYSNQ-CWTRNNRKSA-N 350.289 5.445 10 1 FKCF CC(=O)c1ccc2c(c1)/C(=C\[C@H](C)CN(C)C)c1cc(Cl)ccc1S2 40511573 SREZHYAFJGCSKY-YRUBURHZSA-N 371.933 5.637 10 1 FKCF CCC[C@H](/N=N/c1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1 169687561 BDNHDNISVZSFDS-LRDZBDLTSA-N 351.841 5.817 10 1 FKCF COC[C@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924185 KOWLMGJLCUHGDW-ZDUSSCGKSA-N 372.559 5.689 10 1 FKCF Cc1ccc2ccc([C@H](Nc3ccccc3)c3ccc(Cl)cc3)c(O)c2n1 95564517 UWHFNNRJLQAJFT-OAQYLSRUSA-N 374.871 6.104 10 3 FKCF CSc1cccc(-n2c(C)cc(-c3csc(C4CCCC4)n3)c2C)c1 587924658 HUHQNEPHIPKROH-UHFFFAOYSA-N 368.571 6.597 10 1 FKCF O=C(Nc1cccc(Cl)c1)c1ccccc1/N=N\c1c[nH]c2ccccc12 103191017 AKKUPEPBGRWWIY-QPLCGJKRSA-N 374.831 6.489 10 1 FKCF Cc1cc(CNC2CCCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1 1911576870 XAESDIYFOMKZHA-UHFFFAOYSA-N 351.321 5.823 10 1 FKCF CCN(CC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587504551 JVCRBDLMJVYFGV-QHCPKHFHSA-N 363.501 5.427 10 1 FKCF O=C(Nc1ccc(Cl)cc1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 98084171 APNVPJYOYFHKBN-QPLCGJKRSA-N 374.831 6.489 10 1 FKCF Cc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(N(C)C)cc3)oc2c1 40379995 YFOIWWRKWFHWGS-UHFFFAOYSA-N 371.440 5.122 10 1 FKCF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-n2c(C)ccc2C)cc1 963221293 ABPRHCAHLMQAJB-NBGIEHNGSA-N 358.529 5.840 10 1 FKCF CCOc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)[s+]c2ccccc12 17195234 MTZGBMVYCLWLSB-NXZHAISVSA-N 362.518 6.374 10 1 FKCF c1ccc(Cn2nc(-c3ccccc3)c3cccc-3c2-c2ccccc2)cc1 5518979 ANWMCPZPZLJKEY-UHFFFAOYSA-N 360.460 6.370 10 1 FKCF biogenic CCn1c2ccccc2c2cc(C(=O)c3cccc4c3NCCC4)ccc21 205445241 OTARXASAKXSPKF-UHFFFAOYSA-N 354.453 5.404 10 1 FKCF Cc1cccc(-c2c(O)c(O)cc3c2CCN(C)C[C@@H]3c2cccc(C)c2)c1 40937035 UMKIZESDRWUELC-JOCHJYFZSA-N 373.496 5.001 10 1 FKCF Cc1ccccc1-c1cc2c(C(=O)O)c(O)c(O)c(C(C)C)c2cc1C 653813143 DAMBWURSQGQZJS-UHFFFAOYSA-N 350.414 5.356 10 1 FKCF CCOc1ccc(-c2n[n+]3ccccc3c3ccc4ccccc4c23)cc1 40466269 AUCXXHFWNRQZJG-UHFFFAOYSA-N 351.429 5.192 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587260544 SYSAEEQPZBGQTK-UHFFFAOYSA-N 350.426 5.351 10 1 FKCF Cc1nc2sc3ccccc3n2c(=O)c1/N=N/c1ccc(Cl)cc1 6009782 PDXNGIPOFUSTLT-QZQOTICOSA-N 354.822 5.286 10 1 FKCF CCc1c(-c2ccc(O)cc2)cc(-c2ccccc2)n1-c1ccc(O)cc1 13558580 YBFZRGYWZJYEOK-UHFFFAOYSA-N 355.437 5.785 10 1 FKCF CCc1ccc(CC)n1-c1cccc(Cl)c1Oc1ccccc1OC 587941601 QBYGIONFOJLMIE-UHFFFAOYSA-N 355.865 6.056 10 1 FKCF CC(C)(C)c1ccc(Oc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 1543954 CONJRBMYVQMKRD-SFQUDFHCSA-N 369.511 5.265 10 1 FKCF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1 2356327936 LMXNIMPKTGEKNK-HSZRJFAPSA-N 367.489 5.273 10 1 FKCF Oc1ccc(O)c(CNc2ccc(O)c(/C=C/CCc3ccccc3)c2)c1 13491737 MQEHZHNYMFNXGH-WEVVVXLNSA-N 361.441 5.062 10 1 FKCF CCNc1ccc(Nc2ccccc2C(=O)O)c(-c2ccccc2)c1Cl 1911576957 KZZSLOOVXXIYDK-UHFFFAOYSA-N 366.848 5.881 10 1 FKCF CCCCn1cc(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 2382235853 FWIWRSVWHYNLEI-UHFFFAOYSA-N 363.844 5.384 10 1 FKCF NC(=O)CCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26939879 TWYKMGVHZKWCKU-UHFFFAOYSA-N 369.468 5.330 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@H]32)c1 103240708 VXQUGYOYJDITTO-KNSMUJDWSA-N 372.505 5.226 10 1 FKCF Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1-c1ccccc1F 587922538 PWBVFIIXJHSKQK-UHFFFAOYSA-N 364.445 5.729 10 1 FKCF CCN(CCCN(C)C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 1600572 FSQJLEBOLYICBW-JLHYYAGUSA-N 359.517 5.183 10 1 FKCF CCOC(=O)[C@@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922246 MDGGPUMNLHXORF-ZDUSSCGKSA-N 372.465 5.023 10 1 FKCF O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 4131703 NZIKPNVRKKMIOU-KNCYDQBVSA-N 370.452 5.489 10 1 FKCF CCc1oc2ccccc2c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586902390 AOYCAXIHRJGAEC-UHFFFAOYSA-N 369.424 5.913 10 1 FKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C)c3ccc(C)cc13)CC2=O 587470890 MTJCPIWPFHXFPI-OAQYLSRUSA-N 363.457 5.160 10 1 FKCF Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 84729776 ODVYIAMUSCZGRO-XMMPIXPASA-N 355.485 5.744 10 1 FKCF CCOC(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1/N=N/c1ccccc1 103216146 SORVKLLZSDVRBS-LSDHQDQOSA-N 354.797 5.322 10 1 FKCF Cc1cccc2c1cc1n2-c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 71341899 NLCMPVZLORLAMZ-XMMPIXPASA-N 353.469 5.520 10 1 FKCF CCCCCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924216 MHHHHRBYDYAUQG-UHFFFAOYSA-N 370.587 6.672 10 1 FKCF COc1ccccc1Oc1c(Cl)cccc1-n1c(C)cc2c1CCCC2 587940789 KGWBMXIWFPSNSN-UHFFFAOYSA-N 367.876 6.119 10 1 FKCF Cc1cccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c1C 98084390 IAOFVWQTZQOHBY-RQZHXJHFSA-N 368.440 6.452 10 1 FKCF CC[n+]1c(C=C2C=CN(c3ccc(Cl)cc3)C=C2)ccc2ccccc21 5585971 FWHRKUGBCGFFCM-UHFFFAOYSA-N 359.880 5.732 10 1 FKCF O=C(O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 11026162 WFPRFHVNTFKWKM-CZIZLABSSA-N 360.240 5.518 10 1 FKCF COc1cccc2c1[C@@H](C)C[C@@H](C)[C@H]2c1ccc2c(c1O)[C@@H](C)N[C@H](C)C2 95486318 CTZXUBSXMKUSBO-WUUQAYSMSA-N 365.517 5.271 10 1 FKCF biogenic,in-vitro Nc1[nH]c(N=Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 299813018 OHQQJGGBAIQLIM-UHFFFAOYSA-N 353.838 5.942 10 1 FKCF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(O)ccc(Cl)c1Cl 963243971 UXAWIAOCZZYSNQ-HXPMCKFVSA-N 350.289 5.445 10 1 FKCF Fc1ccc(-c2csc(/N=N/Cc3cccc4ccccc34)n2)c(F)c1 169728172 LDJRBTOMDLTDAW-WJTDDFOZSA-N 365.408 6.525 10 1 FKCF O=C(/N=N\c1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1 8694098 UKDSFHJOPFEAOG-VHXPQNKSSA-N 371.396 5.025 10 1 FKCF CCN1/C(=C/C=C/c2sc3ccccc3[n+]2C)Sc2ccc(F)cc21 169323920 CXYSWMZUULDZRP-UHFFFAOYSA-N 369.510 5.352 10 1 FKCF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1OC(=O)C=Cc1ccc(O)c(O)c1 2356630421 PCUAJYJVONNANK-NWSQWKLXSA-N 370.489 5.205 10 1 FKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)cc1 587196289 SAUPBVQXLRDCET-UHFFFAOYSA-N 357.417 5.417 10 1 FKCF CCc1ccc(CC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943624 LDFNQWUCNARVPO-UHFFFAOYSA-N 369.411 5.237 10 1 FKCF Oc1ccccc1CNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 473085882 YUDPFRNBCSBKPA-UHFFFAOYSA-N 359.347 5.570 10 1 FKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1C 587277443 WAYNIPIBKIKKMN-WHSLLNHNSA-N 374.444 5.223 10 1 FKCF Cc1cc(-c2csc(-c3ccccc3N)n2)c(C)n1-c1ccccc1F 587922072 JGKALAFKEXSHLN-UHFFFAOYSA-N 363.461 5.606 10 1 FKCF CCOC(=O)/C=C/C1=C(SCC)c2cc(C)n(-c3ccccc3)c2CC1 28524474 KUMYTKQYWVAQFM-WYMLVPIESA-N 367.514 5.315 10 1 FKCF Cc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n(C)c2c1 587516281 RHPCQDDAWYXZAW-QFIPXVFZSA-N 359.469 5.380 10 1 FKCF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)C1=Cc1c(O)c(O)cc(C=O)c1O 2356384601 MPRXQLBIQIHTOG-JCHSIQAQSA-N 358.478 5.262 10 1 FKCF c1ccc2c(Nc3ccc(NC4CCCC4)cc3)c3ccccc3nc2c1 53151298 YQCXYECPSLEGPU-UHFFFAOYSA-N 353.469 6.486 10 1 FKCF Oc1cc(-c2ccccc2)ccc1CNc1ccc(C2CCCCC2)cc1 473083756 PLITYGPXWILMNF-UHFFFAOYSA-N 357.497 6.719 10 1 FKCF O=[N+]([O-])c1ccc2[nH]c(O)c(N=Nc3cccc(Cl)c3Cl)c2c1 617960104 KOIXFWUMHJLOMB-UHFFFAOYSA-N 351.149 5.504 10 1 FKCF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1 2356327937 LMXNIMPKTGEKNK-QHCPKHFHSA-N 367.489 5.273 10 1 FKCF CSc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587079949 IYVHNVJNKUZOHA-KSMMKXTCSA-N 367.905 5.765 10 1 FKCF CCCCCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5315317 JATOTVFVQYRPDU-UHFFFAOYSA-N 369.512 7.124 10 1 FKCF C[C@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccccn1 169727577 YLVCLIPJDCVVQD-FBQNGNFFSA-N 353.429 5.461 10 1 FKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc1 587195752 MAFBWUCVYXBZKK-UHFFFAOYSA-N 359.408 5.850 10 1 FKCF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)C1=Cc1c(O)c(O)cc(C=O)c1O 2356384600 MPRXQLBIQIHTOG-FIRDEBMASA-N 358.478 5.262 10 1 FKCF CC(C)C(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26849167 FKJCQZXJNLSDJU-UHFFFAOYSA-N 355.441 5.726 10 1 FKCF Cc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c(C)c1 587391296 UFVRIJAQDJZABU-QHCPKHFHSA-N 374.484 5.308 10 1 FKCF Fc1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1Cl 587078684 ZPGWBZGBXOXKNL-PISHQANHSA-N 374.246 5.835 10 1 FKCF [N-]=[N+]=NC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501687 PXTGTCGLLXWNJU-HXUWFJFHSA-N 367.836 5.390 10 1 FKCF O=C1c2ccccc2-c2nc(-c3cccc(O)c3)cc(-c3ccccc3O)c21 1857629016 LZCSRHPBRSJFEN-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF C[C@@H](CCc1sccc1/N=N\c1c(O)ccc2ccccc12)CC(=O)O 15962062 ASVAWSJZAJVHOP-KBTGROTASA-N 368.458 6.066 10 1 FKCF COc1ccc(O)c(O)c1CC[C@H]1[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C 26151281 ITCMKMQTHHSCHB-RWNBKVOJSA-N 360.538 5.918 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CSc2ccccc21 587415264 QTTWMIUTYCQPQV-QHCPKHFHSA-N 373.477 5.092 10 1 FKCF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc1 103283004 JYDDUAAVNROIFL-QFIPXVFZSA-N 358.441 5.065 10 1 FKCF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 238733999 PCUAJYJVONNANK-OBMMMBRKSA-N 370.489 5.205 10 1 FKCF O=C(O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 4409811 WFPRFHVNTFKWKM-PSVSLLHZSA-N 360.240 5.518 10 1 FKCF COc1ccc(O)c([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1 103912884 CRTIRWOPBWLZSP-NRFANRHFSA-N 364.445 5.272 10 1 FKCF COc1ccc(/N=N/c2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1 72176982 DAOSTCNSNFMYJB-OCOZRVBESA-N 357.413 6.268 10 1 FKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(Br)s1 169687918 OEEBELIKFZUNPR-HEKIWLDQSA-N 352.282 5.965 10 1 FKCF O=C1C(=O)[C@H](CCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 169714720 CEBMYVUPLIIHLP-MIALQEHNSA-N 352.474 5.028 10 1 FKCF O=C(Nc1ccc(Cl)cc1)c1ccccc1/N=N\c1c[nH]c2ccccc12 103191020 HIUXHFSMATUCLE-QPLCGJKRSA-N 374.831 6.489 10 1 FKCF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCCN=[N+]=[N-])cc1OC2(C)C 13650883 NWUHIDITIWXYML-IAGOWNOFSA-N 355.482 6.026 10 1 FKCF Fc1ccc(Nc2c(-c3ccccn3)nc3ccc(C(F)(F)F)cn23)cc1 2382235031 PUPUDXJJPAKMBZ-UHFFFAOYSA-N 372.325 5.298 10 1 FKCF C[C@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1 169727583 VTXLFUAIEBZOTM-AVGDDSQUSA-N 367.456 5.648 10 1 FKCF CC(=O)c1cc2ccc([C@@H](c3ccc(F)cc3)N3CCCCC3)c(O)c2o1 2382258975 ZYMLIOQZKOLCNJ-HXUWFJFHSA-N 367.420 5.055 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]32C)c1 34721831 NRCWDIHJNWCNBP-WCAVRKLYSA-N 372.505 5.226 10 1 FKCF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586885591 COERZKUFJVQFFJ-QRQCRPRQSA-N 373.456 5.083 10 1 FKCF CC1(C)CCC(C)(C)c2cc(/N=[N+](\[O-])c3ccc(C(=O)O)cc3)ccc21 34094937 CLLYCGQMYJRFMZ-FCQUAONHSA-N 352.434 5.660 10 1 FKCF Cc1oc2c(c1-c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)C(=O)CCC2 586902928 CVAYFESNPQPXSG-UHFFFAOYSA-N 373.412 5.025 10 1 FKCF c1ccc(-c2nc(C3OCC4(CCCCC4)CO3)[nH]c2-c2ccccc2)cc1 13755448 CJUUTCIAEIIDEW-UHFFFAOYSA-N 374.484 5.740 10 1 FKCF CC(C)N(Cc1cnc[nH]1)c1ccc(OCc2ccccc2)c(Cl)c1 96177512 MMRQXCODLXKYEL-UHFFFAOYSA-N 355.869 5.057 10 1 FKCF [N-]=[N+]=N[C@H](CO)CCC/C=C\CCCCCCC/C=C\CCCC(=O)O 1857551535 NPJODABWUQUISW-CREVWWACSA-N 365.518 5.926 10 1 FKCF Clc1cccc(/N=N/[C@H](Cc2nc3ccccc3[nH]2)c2ccccc2)c1 169693913 DSELWJWIIYDOOC-RMBMZXQHSA-N 360.848 6.284 10 1 FKCF CCc1nc(/N=N/c2c(O)[nH]c3ccccc23)c2c3c(sc2n1)CCC3 13122290 VIQKPURUPNZOEZ-WCWDXBQESA-N 363.446 5.345 10 1 FKCF O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N\c2ccccc2)c1O 22013607 WYUHTVDGHDRPDW-QPLCGJKRSA-N 367.408 6.213 10 1 FKCF biogenic,in-vitro C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1O 101392377 VGSQRECMCPQJNS-JBWGREPBSA-N 358.478 5.262 10 1 FKCF CN(C)c1ccc(-c2nc3ccc(Cl)cc3n2CC2CCCCC2)cc1 73315433 LJLZXVXZYIAWHG-UHFFFAOYSA-N 367.924 6.003 10 1 FKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc3ccccc3c2O)N1 962958765 VACJHNNEANTYPO-GYCJOSAFSA-N 356.469 5.215 10 1 FKCF O=C(O)CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26850000 YISSTPLEMQTVKJ-UHFFFAOYSA-N 356.425 5.539 10 1 FKCF C[n+]1c(/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)ccc2ccccc21 96142723 KTPDNYVWXJTUKG-UHFFFAOYSA-O 361.468 5.983 10 1 FKCF Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cc4c(s3)CCCC4)c2c1 101914862 QHSIUVMJKJGVLP-QURGRASLSA-N 353.447 5.355 10 1 FKCF Cc1cc(O)nc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(N)nn12 45288841 WOUMDEGIADYYDK-VTJHEJDCSA-N 372.392 5.156 10 1 FKCF Cc1ccc(C(C)C)cc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12 103969912 KMSAUWXEUDZWCY-WCWDXBQESA-N 369.396 5.134 10 1 FKCF Cc1cc(C)cc([C@H](c2c(O)ccc3ccccc23)N2CCC(C)CC2)c1 653711495 NCRLMCJMEMPCAH-RUZDIDTESA-N 359.513 5.984 10 1 FKCF Cc1cc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2cc1C 587194954 DJSMQFVZJWJOJU-UHFFFAOYSA-N 369.472 6.328 10 1 FKCF Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)cc1 587639113 VWPBHALFGZMERK-UHFFFAOYSA-N 361.828 6.162 10 1 FKCF Cc1cc(/N=N/Cc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 169691789 JXIAMJWWKBGKFQ-YYDJUVGSSA-N 351.841 5.334 10 1 FKCF CC(C)=CCCC(C)=CCCC(C)=CCc1cc(C(=O)O)cc(O)c1O 2356391400 VWHKYMBCXCSQEZ-UHFFFAOYSA-N 358.478 5.758 10 1 FKCF Cc1cncc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587196636 WUSKINAZSKCYHP-UHFFFAOYSA-N 356.433 5.415 10 1 FKCF CCc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 34588302 FUOTYMXBFOLVBQ-UHFFFAOYSA-N 352.840 5.492 10 1 FKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1cccc(F)c1 169730521 FOJSYQYSRILVDA-CYYJNZCTSA-N 368.371 5.884 10 1 FKCF C[C@H](N=N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 169691559 WZPFRTRYPKJXBE-JTQLQIEISA-N 356.223 5.050 10 1 FKCF Fc1ccccc1C[n+]1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1 1857536477 LUXAGDGNBQSTBL-UHFFFAOYSA-N 371.479 5.043 10 1 FKCF O=C1c2ccccc2-c2nc(-c3ccccc3O)cc(-c3cccc(O)c3)c21 1857747821 UDAXEMSWHNPMFT-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF O=C(Nc1ccc(F)cc1)Nc1ccc(/C=C/c2ccc(O)c(O)c2)cc1 87722563 RTGNWDICAUSZQA-OWOJBTEDSA-N 364.376 5.051 10 1 FKCF c1ccc(-c2n[n+]3c4ccccc4ccc3c3ccc4ccccc4c23)cc1 38264993 ZFLPEILSRJUXMB-UHFFFAOYSA-N 357.436 5.947 10 1 FKCF C[C@H](Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21 45358566 WWLWTBLAXVQLFM-HXUWFJFHSA-N 353.509 5.438 10 1 FKCF Cc1cccc2c(Nc3ccc(O[C@H](C)C(=O)O)cc3)c3ccccc3nc12 169322389 UPMJDLBKWRLIKX-OAHLLOKOSA-N 372.424 5.292 10 1 FKCF O=C(C(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)c1ccccc1 587214255 PWHXQFQQVLYPTH-UHFFFAOYSA-N 363.416 5.066 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275378 CXYURLRQBFUUDP-ZOCZFRKYSA-N 374.444 5.223 10 1 FKCF CCN(CC)CCN(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1 1600568 MEPDCPZVVXCQDR-SDNWHVSQSA-N 373.544 5.573 10 1 FKCF CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](N=[N+]=[N-])[C@@](C)(CC[C@@H]21)C3 1772576466 ZTURTGKZUFVRJV-TXBWYJBJSA-N 373.541 6.031 10 1 FKCF CCCNC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26848082 OHWUOJBVACHSGL-UHFFFAOYSA-N 355.441 5.271 10 1 FKCF Oc1ccccc1CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 473085440 WOZISUDMPQCRGV-UHFFFAOYSA-N 351.449 6.338 10 1 FKCF Oc1cc(CCCc2ccc3ccccc3c2)ccc1CN1CCCCC1 474609271 OREYMMNXXWZCOC-UHFFFAOYSA-N 359.513 5.707 10 1 FKCF CCCc1cc2c(C)cc3c(c2o1)C(=O)c1c(OC(C)C)cccc1C3=O 473082124 GEQPAYZERSJOTN-UHFFFAOYSA-N 362.425 5.256 10 1 FKCF Cc1cc(C)n2nc(N)c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c2n1 45245291 JQFJEXDKJXYHEJ-QSZPNPOGSA-N 370.420 5.759 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586882901 CVELYJITIHQJOS-IOYDXJRHSA-N 359.473 5.405 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587260028 MNSVZWCATYROHO-UHFFFAOYSA-N 351.479 6.127 10 1 FKCF O=C(O)[C@H]1CCCN(CC/C=C/c2cccc(/N=N/c3ccccc3)c2)C1 1857636562 JPHRIPYLXUCDMH-GCEPAGLYSA-N 363.461 5.302 10 1 FKCF Nc1ccc(Oc2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)cc1 586906625 DPRRWZWMYPEXGR-UHFFFAOYSA-N 369.424 5.469 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(C4CCC4)n3)c2C)c1 587926469 YXIWFPMFIVRSJE-UHFFFAOYSA-N 354.544 6.207 10 1 FKCF CCc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1 95582223 VLFJKCIARIXLKD-UHFFFAOYSA-N 369.512 6.323 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 587259168 AVFXFXJTIKOQOL-UHFFFAOYSA-N 356.655 5.392 10 1 FKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(O)cc1)c1ccccc1O 963221850 AWWBTPIIGKMIJW-BVZFJXPGSA-N 373.496 5.046 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@H](C)CC[C@@H]3C(C)=CCC[C@]32C)c1 2356635982 RCRXILNRSJGNEM-ZIFPLYCDSA-N 372.505 5.226 10 1 FKCF Clc1cccc(/N=N/[C@@H](Cc2nc3ccccc3[nH]2)c2ccccc2)c1 169693912 DSELWJWIIYDOOC-QTJUSOIVSA-N 360.848 6.284 10 1 FKCF Cc1ccc(C(C)C)cc1OCC(=O)N=Nc1c(O)[nH]c2ccc(F)cc12 617960149 KMSAUWXEUDZWCY-UHFFFAOYSA-N 369.396 5.134 10 1 FKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C(=O)O)ccc(O)c1O 238749829 UCABGNLSVBUJSM-BTMZFSHUSA-N 358.478 5.758 10 1 FKCF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1OC(=O)C=Cc1ccc(O)c(O)c1 2356630422 PCUAJYJVONNANK-UNWVZKJWSA-N 370.489 5.205 10 1 FKCF Cc1cccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1C 587563191 AALIPNRQHKPNLD-UHFFFAOYSA-N 359.429 5.133 10 1 FKCF CCN(CC)c1ccc2c(c1)-c1nc3cnc4ccccc4c3cc1CO2 1857651929 CHYQBNXQGNYAID-UHFFFAOYSA-N 355.441 5.189 10 1 FKCF Cc1ccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)cc1 98084394 AUYBIPCRQVCYHU-QPLCGJKRSA-N 354.413 6.144 10 1 FKCF COc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078353 OMVYZBKXVXMANI-KSMMKXTCSA-N 351.837 5.051 10 1 FKCF COc1nccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587195544 LHLCLLOWCLBETC-UHFFFAOYSA-N 372.432 5.115 10 1 FKCF Oc1c(-c2cc3nc4ccccc4nc3c3ccccc23)ccc2ccccc12 72107157 SJKZAHPHLMEYQE-UHFFFAOYSA-N 372.427 6.462 10 1 FKCF CCc1nc(/N=N\c2c(O)[nH]c3ccccc23)c2c3c(sc2n1)CCC3 102660847 VIQKPURUPNZOEZ-VHXPQNKSSA-N 363.446 5.345 10 1 FKCF CN(C)c1ccc(/C=C/C=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1 474605022 FSPJMNNKHGSBTR-GZESYPFFSA-N 366.464 5.528 10 1 FKCF Oc1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccc(Cl)cc2)cc1 299825986 NWSQLUABZAZNLT-FQEVSTJZSA-N 364.832 5.107 10 1 FKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1C 587277440 WAYNIPIBKIKKMN-CKJXQJPGSA-N 374.444 5.223 10 1 FKCF Nc1ccc(Oc2ccc3nc(COC/C=C\c4ccccc4)[nH]c3c2)cc1 587781873 YDINNXNSXMVUQC-DAXSKMNVSA-N 371.440 5.167 10 1 FKCF Cn1nc(-c2ccccc2)c2c(Cl)cc(Cl)c-2c1-c1ccccc1 3147221 MSPSUKPVIHMYAC-UHFFFAOYSA-N 353.252 6.166 10 1 FKCF biogenic COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(F)cc2)cc1 587638908 XQLQVXFQSNQIGO-UHFFFAOYSA-N 361.372 5.348 10 1 FKCF CCN1/C(=C/C=C/c2oc3ccc(C)cc3[n+]2C)Sc2ccc(F)cc21 169323905 FWWAGEJWWRTPAQ-UHFFFAOYSA-N 367.469 5.192 10 1 FKCF CCC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@@H](C1)C2 45284543 HQUSYPKQXVWTEX-KGLIPLIRSA-N 367.884 5.997 10 1 FKCF C[C@@H](Cc1ccccc1)NCC=C1c2ccccc2CCc2ccccc21 45358564 WWLWTBLAXVQLFM-FQEVSTJZSA-N 353.509 5.438 10 1 FKCF CCc1nc(N=Nc2c(O)[nH]c3ccccc23)c2c3c(sc2n1)CCC3 299813114 VIQKPURUPNZOEZ-UHFFFAOYSA-N 363.446 5.345 10 1 FKCF CNc1cc(NC(C)=O)ccc1Nc1c2ccccc2nc2ccccc12 29348192 AXFAEHQVCXZVBE-UHFFFAOYSA-N 356.429 5.132 10 1 FKCF CCc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587277384 VDKRVVXPKJEVQZ-VWKPWSFCSA-N 374.444 5.168 10 1 FKCF N=C1CCn2nc(N)c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c2N1 45245530 GWXCVYXUOSVZMU-VTJHEJDCSA-N 359.397 5.089 10 1 FKCF COc1cccc2c1[C@H](C)C[C@H](C)[C@@H]2c1ccc2c(c1O)[C@@H](C)N[C@H](C)C2 2356455672 CTZXUBSXMKUSBO-MZGAPFDFSA-N 365.517 5.271 10 1 FKCF Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C 34801093 QBONYGHVEVRMDD-UHFFFAOYSA-N 360.505 5.103 10 1 FKCF CCN(CC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587504547 JVCRBDLMJVYFGV-HSZRJFAPSA-N 363.501 5.427 10 1 FKCF Fc1ccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)cc1 1857536931 OVEFHADUSNCMKF-UHFFFAOYSA-N 371.479 5.043 10 1 FKCF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)N=[N+]=[N-] 40575557 NCJVIVGBSNCLBW-OALUTQOASA-N 366.465 5.044 10 1 FKCF Cc1c(Br)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C 58494040 AAPTVJGJZCKWPI-UHFFFAOYSA-N 373.246 5.010 10 1 FKCF O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 4131700 NZIKPNVRKKMIOU-BYWRUVHUSA-N 370.452 5.489 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@H](C)CC[C@@H]3C(C)=CCC[C@@]32C)c1 2356635980 RCRXILNRSJGNEM-OIBKDOCCSA-N 372.505 5.226 10 1 FKCF Cc1ccc(C(=O)N=Nc2c(O)[nH]c3cc(Br)c(C)cc23)cc1 617960163 UKEGAVYWSHKWDQ-UHFFFAOYSA-N 372.222 5.177 10 1 FKCF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(C=O)c(O)c(O)cc21 35979710 NVDJGYXDFMEUPO-KGFDFFDMSA-N 356.462 5.638 10 1 FKCF biogenic,in-vitro Oc1ccc(Cl)cc1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 90485691 SFKZQPLTMNAEQR-UHFFFAOYSA-N 369.692 5.695 10 1 FKCF CC(C)(C)NCc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O 40861050 LJXZMAUHZHWTQH-UHFFFAOYSA-N 354.881 5.073 10 1 FKCF CCC[C@@H](CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12 29560067 GFHOQRLLLDDZLJ-IBGZPJMESA-N 363.549 6.091 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc4ccccc4cc3[nH]1)N2 587078087 HFROFFDIQZOUNP-JKSBSHDWSA-N 371.871 6.196 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(C)C)n3)c2C)c1 587924363 UPWZHOIWOBZUNR-UHFFFAOYSA-N 356.560 6.138 10 1 FKCF CC(=O)N1c2ccc(Cl)cc2[C@H]2C=CC[C@H]2[C@H]1c1cccc2ccccc12 12379455 MGIXZCJBXIHKQQ-XZDHIHRUSA-N 373.883 6.261 10 1 FKCF COc1cc(CCC(=O)O)ccc1Nc1c2ccccc2nc2ccccc12 26845980 UESIPPPOSZUNCM-UHFFFAOYSA-N 372.424 5.157 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(CC4CC4)n3)c2C)c1 587924319 RSSHAMIZVLVVLC-UHFFFAOYSA-N 354.544 5.892 10 1 FKCF COCCCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924411 XGDHFERDTNTAPK-UHFFFAOYSA-N 372.559 5.519 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCOC4)n3)c2C)c1 587925147 PCJMGJNVHNKHAC-HNNXBMFYSA-N 370.543 5.443 10 1 FKCF COc1ccc2ccc(O)c([C@H](c3cccs3)N3CCCCC3)c2c1 653708445 FQPBANSKJZAGEX-NRFANRHFSA-N 353.487 5.191 10 1 FKCF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCN=[N+]=[N-])C[C@@H]12 28655117 GABMQPCRXRCFBL-UIVXOMHLSA-N 373.541 5.276 10 1 FKCF CCN1/C(=C/C=C/C2=[N+](CC)c3ccccc3CC2)CCc2ccccc21 40394490 UGVKZCDZXPGQIL-UHFFFAOYSA-N 357.521 5.651 10 1 FKCF Cc1cc(Cl)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078111 HXCITRFPKZMDAW-KSMMKXTCSA-N 370.283 6.005 10 1 FKCF O=C(O)/C=C/C=C/c1cccc(Nc2c3ccccc3nc3ccccc23)c1 26941758 UKLHUIWGVNJKIX-OPIALYABSA-N 366.420 5.786 10 1 FKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccccc2)cc1 36381221 MCSGBFSEMVWBMB-UHFFFAOYSA-N 371.529 5.474 10 1 FKCF C/C(=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CCCCC1 587966648 DBPCHGUFHYMGST-BUHFOSPRSA-N 370.452 5.322 10 1 FKCF CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N(C)C)c1 29346209 GJEHNMGOJVRBSE-UHFFFAOYSA-N 370.456 5.156 10 1 FKCF Cc1ccc2ccccc2c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586884613 VENOZFDTUFPAPM-UHFFFAOYSA-N 365.436 6.066 10 1 FKCF O=C(Nc1ccccc1F)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 103187660 FSINRDSQSFNIPH-QPLCGJKRSA-N 358.376 5.975 10 1 FKCF NCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845610 GFFKPQFXNQATFR-UHFFFAOYSA-N 355.485 5.803 10 1 FKCF CC(C)n1c(O)c(N=Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 253915819 RVMGZNBUWVCKDW-UHFFFAOYSA-N 357.797 5.695 10 1 FKCF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(O)ccc(Cl)c1Cl 963243968 UXAWIAOCZZYSNQ-BUXKBTBVSA-N 350.289 5.445 10 1 FKCF CCc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587195822 NZCRQHMUAJEBHM-UHFFFAOYSA-N 369.472 6.274 10 1 FKCF CCN1C(=CC=C[C@H]2Sc3ccccc3N2CC)Sc2ccccc21 2356836500 LBDWECYMSVJFII-HXUWFJFHSA-N 366.555 5.975 10 1 FKCF Cc1c(C(=O)O)ccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 3904806 RLKBAZOHUJINDI-NOXFTYBFSA-N 355.437 5.673 10 1 FKCF CC[C@@H](Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O 26851169 XBOIINIDSLCBGN-OAQYLSRUSA-N 372.424 5.374 10 1 FKCF Cc1ccccc1C[n+]1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1 1857537921 QGPMZSJMMYTQOB-UHFFFAOYSA-N 367.516 5.213 10 1 FKCF CNc1ccc(Nc2ccccc2C(=O)O)c(-c2ccccc2)c1Cl 1911581961 RZIPOOPDWJBCHO-UHFFFAOYSA-N 352.821 5.491 10 1 FKCF Cc1ccc(C2CCCCC2)n1-c1cc(-c2ccccc2)sc1C(=O)O 299833209 LYGZEEHHHHNURD-UHFFFAOYSA-N 365.498 6.260 10 1 FKCF CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1cc(C(=O)O)cc(O)c1O 14658270 VWHKYMBCXCSQEZ-KKYJLSSQSA-N 358.478 5.758 10 1 FKCF endogenous,in-man C/C(=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CCCCC1 587966649 DBPCHGUFHYMGST-YPKPFQOOSA-N 370.452 5.322 10 1 FKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3c2)cc1 587085173 ZGGWRZIQDICPDO-UHFFFAOYSA-N 371.227 5.306 10 1 FKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4ccccc4c3)[nH]c21 103287067 ACBYLGOVFGTMMJ-UHFFFAOYSA-N 374.399 5.159 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587260327 RIGIMVHRUZIBLL-UHFFFAOYSA-N 362.306 5.025 10 1 FKCF O=C(O)c1ccc(N[C@@H](c2ccccc2)c2ccc3ccccc3c2O)cc1 653786105 SWAUPVBFZRAFSM-QFIPXVFZSA-N 369.420 5.445 10 1 FKCF Brc1ccc(-c2csc(/N=N/Cc3ccccc3)n2)cc1 169728276 IVWQOWMXEVHCSH-CZIZESTLSA-N 358.264 5.857 10 1 FKCF COc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccccc2)cc1 653746712 SJFZSJYHGDNVHV-FCQUAONHSA-N 355.441 6.355 10 1 FKCF O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 4820647 RRCBSKUUIZVMFI-ZJNRKIDTSA-N 359.347 5.230 10 1 FKCF COc1ccc([C@@H]2c3cc(OC)ccc3N(Cc3ccccc3)C[C@H]2C)cc1 96913154 KUPQUUWZDBYIDQ-IQGLISFBSA-N 373.496 5.492 10 1 FKCF O=C1Nc2ccccc2/C1=C\c1c(Cl)n(-c2ccccc2)c2ccccc12 1864212 DAOGBRCUNWMZGG-XMHGGMMESA-N 370.839 5.777 10 1 FKCF CC1(C)CC2=Nc3ccccc3N[C@@H](c3cc(Cl)ccc3O)C2=C(O)C1 100629521 YQOPJLDMZCYSQH-FQEVSTJZSA-N 368.864 5.917 10 1 FKCF COc1cc(CNc2c3ccccc3nc3ccccc23)cc(OC)c1OC 6004460 LHMZYYJPJUUPSG-UHFFFAOYSA-N 374.440 5.026 10 1 FKCF COc1ccc(CCN(C)c2c3ccccc3nc3ccccc23)cc1OC 169341634 DJYPDFFKNHMFEE-UHFFFAOYSA-N 372.468 5.084 10 1 FKCF COc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccccn2)cc1 169690679 DLLRUOMFQDKTOV-OCOZRVBESA-N 369.428 5.227 10 1 FKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(F)cc1 6258090 FFVYBZLPYLIREH-CYYJNZCTSA-N 368.371 5.884 10 1 FKCF Cc1ccc(C)c(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c1 103187566 PZTKGUDFVKDZQY-RQZHXJHFSA-N 368.440 6.452 10 1 FKCF O=C(O)c1cccc2c(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)[nH]c12 587637788 JBTOVBNJVXCKCB-UHFFFAOYSA-N 365.791 5.993 10 1 FKCF Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3ccc(Br)cc3)c2c1 103969380 YENUUYRLGKJLFW-QZQOTICOSA-N 372.222 5.177 10 1 FKCF Cc1cc(-c2csc(CC3CCCCC3)n2)c(C)n1-c1ccccc1F 587922081 JSHYCZFGQYZBNU-UHFFFAOYSA-N 368.521 6.480 10 1 FKCF Cc1ccccc1NC(=O)c1ccccc1/N=N\c1c[nH]c2ccccc12 103186245 BXFNWEGHPWHWFU-QPLCGJKRSA-N 354.413 6.144 10 1 FKCF CCCc1c(O)ccc2c1O[C@@](CN=[N+]=[N-])(c1ccc(Cl)cc1)CC2=O 587459367 CTXAFSPUOASLSM-IBGZPJMESA-N 371.824 5.169 10 1 FKCF O=C1Nc2ccc(F)cc2/C1=C\c1c(Cl)[nH]c2c1ccc1ccccc12 58582325 NYJRKQBUMXDYLS-LICLKQGHSA-N 362.791 5.606 10 1 FKCF COc1ccc(C/N=N/c2nc(-c3ccc(F)cc3)cs2)cc1OC 169725930 CTYZILHLNKMJQU-LSDHQDQOSA-N 357.410 5.250 10 1 FKCF O=[N+]([O-])c1cccc(-c2ccc(C/N=N/c3nc4ccccc4s3)o2)c1 169730130 CXABMPJZLQNUBF-XUTLUUPISA-N 364.386 5.748 10 1 FKCF O=C(O)c1cccc(N[C@@H](c2ccccc2)c2ccc3ccccc3c2O)c1 653786108 TUHAYLBLXPNFBE-QFIPXVFZSA-N 369.420 5.445 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587041169 AJWRJGVGHOZEEW-HXUWFJFHSA-N 359.454 5.327 10 1 FKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(F)cc3)c(C)c1C(=O)C2=O 1857630673 PAAJBITWSCFYNS-UHFFFAOYSA-N 363.388 5.002 10 1 FKCF CCCSC(=S)c1c(-c2ccccc2)nn(-c2ccccc2)c1O 1857649888 AQKKMVQSJUDRNA-UHFFFAOYSA-N 354.500 5.064 10 1 FKCF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587195137 GGTSQCAWZMANME-HNNXBMFYSA-N 372.472 5.155 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)c1 13431221 NRCWDIHJNWCNBP-HFJQGTKSSA-N 372.505 5.226 10 1 FKCF biogenic O=C1c2ccccc2-c2cc(-c3ccc(-n4cccc4)cc3)nc3cccc1c23 587104821 KBVWJVZLIPHBPC-UHFFFAOYSA-N 372.427 5.904 10 1 FKCF CC(=O)Oc1cc(O)c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1 2356440324 XDVXOTFLACDBRS-UHFFFAOYSA-N 372.505 5.985 10 1 FKCF Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)ccc1O 103285098 OPOARLQPGLZQDU-QHCPKHFHSA-N 371.484 5.122 10 1 FKCF CCCSC(=S)c1c(-c2ccc(F)cc2)nn(-c2ccccc2)c1O 1857653831 DANFXJZMLBYMIS-UHFFFAOYSA-N 372.490 5.203 10 1 FKCF Cc1ccc(C)n1-c1ccccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875883 ULUQUZJVYWGBDK-UHFFFAOYSA-N 373.387 4.891 10 1 FKCF O=C(O)c1cccc(N[C@H](c2ccccc2)c2ccc3ccccc3c2O)c1 653786107 TUHAYLBLXPNFBE-JOCHJYFZSA-N 369.420 5.445 10 1 FKCF Cc1ccc(C)c(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c1 98084391 RCADZRDNXNDYGA-RQZHXJHFSA-N 368.440 6.452 10 1 FKCF Oc1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccc(Cl)cc2)cc1 299825989 NWSQLUABZAZNLT-HXUWFJFHSA-N 364.832 5.107 10 1 FKCF CCCOc1ccc(N2CCCCC2)c2c(=O)c3ccccc3sc12 1857746144 ZMRFEGIGWCUDPE-UHFFFAOYSA-N 353.487 5.194 10 1 FKCF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2Cc2ccccc2-3)ccc1O 39194402 HIEFQKXGUKTMAI-UHFFFAOYSA-N 367.404 5.119 10 1 FKCF Cc1cccc(-c2cc3c(C(=O)O)c(O)c(O)c(C(C)C)c3cc2C)c1 653813189 QVOXDJSYAIGWRG-UHFFFAOYSA-N 350.414 5.356 10 1 FKCF O=C1c2ccccc2-c2nc(-c3ccccc3O)cc(-c3ccccc3O)c21 1857747453 WGCSDYMSPMLVIV-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF COc1cc(/C=C/C(=O)O)ccc1Nc1c2ccccc2nc2ccccc12 28005594 IIQURIGUMZTVEY-ACCUITESSA-N 370.408 5.238 10 1 FKCF CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c1ccccc1O 73198518 GZVWNCRETSUTMX-KRWDZBQOSA-N 369.785 5.422 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587041167 AJWRJGVGHOZEEW-FQEVSTJZSA-N 359.454 5.327 10 1 FKCF O=C(O)[C@H]1CCCN(CCC=Cc2ccc(N=Nc3ccccc3)cc2)C1 1857630342 VMIHXEGNEZCDNK-IBGZPJMESA-N 363.461 5.302 10 1 FKCF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(Cl)c2ccccc2c1O 963260522 XQSKLNAMNQQUFB-IBGZPJMESA-N 374.267 5.096 10 1 FKCF O=C1/C(=C\c2cnc3ccccc3c2)c2ccccc2N1Cc1ccccc1 29123785 KNULGOBZMZQHLL-JCMHNJIXSA-N 362.432 5.322 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(O)c3)c2c1 72108590 AFIOHDFSEWOLPE-UHFFFAOYSA-N 350.805 5.499 10 1 FKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cn1 587922762 SYUJDICXEDNKHO-UHFFFAOYSA-N 363.461 5.727 10 1 FKCF Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccccc3Cl)C2)ccc1O 103281074 ODZKIMLAULGGSH-NRFANRHFSA-N 362.860 5.710 10 1 FKCF Cc1cccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c1 103187550 XXWXLHUULUVQJX-QPLCGJKRSA-N 354.413 6.144 10 1 FKCF Cc1c(CNC(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857540386 RGJOFEHCPYEZNV-UHFFFAOYSA-N 373.327 6.258 10 1 FKCF [N-]=[N+]=NC[C@@H](O)CCC/C=C\CCCCCCC/C=C\CCCC(=O)O 1857584931 AQLYVYVNPRMSLB-CREVWWACSA-N 365.518 5.926 10 1 FKCF Cc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587196091 QFZZHZDLKTYAKE-UHFFFAOYSA-N 355.445 6.020 10 1 FKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1 53119682 MYLJCIMYZVMQAN-UHFFFAOYSA-N 366.505 5.141 10 1 FKCF COc1cccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)c1 72105329 AQGMBECYVGUJHF-UHFFFAOYSA-N 364.832 5.802 10 1 FKCF C[C@@H](/N=N/c1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1O 169689577 RZRIXOPFFLLMQS-OUDCYCMLSA-N 372.403 5.986 10 1 FKCF CN(Cc1ccccc1)c1ccc(/C=C/c2nc3ccccc3s2)cc1 36381222 JKQLKKHOFFVOPH-DTQAZKPQSA-N 356.494 6.103 10 1 FKCF Cc1cccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922778 VQTWKBVEDSSHTF-UHFFFAOYSA-N 362.473 6.332 10 1 FKCF CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2oc3ccccc3c12 72170694 NZMMQOKIDSBXPM-OAQYLSRUSA-N 365.816 5.171 10 1 FKCF CCC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@@H](C1)C2 101279843 HQUSYPKQXVWTEX-KBPBESRZSA-N 367.884 5.997 10 1 FKCF Nc1ccccc1C(=O)/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12 169730525 VZZCMPUPJIODCD-CYYJNZCTSA-N 365.396 5.327 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnco4)n3)c2C)c1 587924106 FWJHHUPMRCKCBG-UHFFFAOYSA-N 367.499 5.595 10 1 FKCF Cc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1N1CCCC1 963113275 QMYAHKCUNWHCED-HXUWFJFHSA-N 361.316 5.137 10 1 FKCF COc1cccc([C@@H](C)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587932393 UBIOEGNXDYMRJR-HNNXBMFYSA-N 373.456 5.292 10 1 FKCF O=C1c2ccccc2-c2nc(-c3ccc(O)cc3)cc(-c3cccc(O)c3)c21 1857745032 WBQAMCNADWRNSK-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O 96934376 TYGUTURXHKSOBP-UHFFFAOYSA-N 367.202 5.129 10 3 FKCF biogenic Cc1ccc(C)n1-c1ccc(OCCOc2ccc(-n3cccc3)cc2)cc1 473135795 LCLWQJZZEZTDBJ-UHFFFAOYSA-N 372.468 5.343 10 1 FKCF CC(C)=CCC/C(C)=C/CCc1ccc2c(c1)C(=O)c1ccccc1C2=O 2382221360 YGNPHNOMVBPITA-VCHYOVAHSA-N 358.481 6.087 10 1 FKCF CCC/C(=C(F)\C=C\C(C)=C\C(=O)O)c1ccc2c(c1)CCCN2C(C)C 26967048 XBYXPZOEILHORN-DLBKUULESA-N 371.496 5.915 10 1 FKCF O=C1C(=O)[C@@H](CCC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)c2ccccc21 169714719 CEBMYVUPLIIHLP-YZLZLFLDSA-N 352.474 5.028 10 1 FKCF COCc1cc(O)c(O)c2c1[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 38697344 YCNIFSHJDNZEIT-WKZKVMAPSA-N 358.522 5.301 10 1 FKCF C[C@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1cccs1 169727579 KCKRMOXKTFGLAB-JAFLTTMTSA-N 358.470 6.127 10 1 FKCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1cccc(Cl)c1 653808330 HFZZIAJYZAIVJC-UHFFFAOYSA-N 355.894 5.556 10 1 FKCF C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1c(O)c(O)cc(C=O)c1O 140101053 MPRXQLBIQIHTOG-YCZKDJDHSA-N 358.478 5.262 10 1 FKCF CCCc1c(O)ccc2c1O[C@](CN=[N+]=[N-])(c1ccc(Cl)cc1)CC2=O 587459376 CTXAFSPUOASLSM-LJQANCHMSA-N 371.824 5.169 10 1 FKCF COc1ccc(O)c(O)c1CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C 26151260 ITCMKMQTHHSCHB-GAOFFHQZSA-N 360.538 5.918 10 1 FKCF Cc1cc(C)cc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587563957 CXYDVONIGSKADC-UHFFFAOYSA-N 359.429 5.133 10 1 FKCF O=c1cc(/N=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1O 1857753481 PKRPFOSCDDARAN-GHVJWSGMSA-N 362.229 5.205 10 1 FKCF COc1ccc(CCCNc2c3ccccc3nc3ccccc23)cc1OC 169305377 RZITYDGAPJQGCV-UHFFFAOYSA-N 372.468 5.450 10 1 FKCF Cc1cc(C)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 587277345 UCCHTJJEVLNULQ-GCKMJXCFSA-N 374.444 5.223 10 1 FKCF CC(C)n1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)c2ccccc21 169689883 WVLASOYALYMNFU-QURGRASLSA-N 355.825 5.858 10 1 FKCF CCCC(=O)Nc1ccc(-c2csc(/N=N/Cc3ccncc3)n2)cc1 169694029 XSFBLHGGLUAISN-DARPEHSRSA-N 365.462 5.228 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCOC4)n3)c2C)c1 587925148 PCJMGJNVHNKHAC-OAHLLOKOSA-N 370.543 5.443 10 1 FKCF CCN1C(=CC=CC2=[N+](C)c3ccc(C)cc3C2(C)C)C=Cc2ccccc21 4117552 HEAUBHTWDMRUOC-UHFFFAOYSA-N 369.532 5.994 10 1 FKCF CO[C@@H]1c2cc(O)c(O)cc2O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]12 13412974 YKDSZDGDSDTQSB-VTRMHMOVSA-N 360.494 5.179 10 1 FKCF biogenic CSc1ccc(-c2ccc(C)n2-c2c(N)cccc2Br)cc1 587937712 WTSULZMGRUWISS-UHFFFAOYSA-N 373.319 5.519 10 1 FKCF COc1ccc(N(C)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 72102391 HHQJACIBXTYGMS-UHFFFAOYSA-N 362.351 5.005 10 1 FKCF Cc1cccc2c(Nc3ccc(O[C@@H](C)C(=O)O)cc3)c3ccccc3nc12 169322387 UPMJDLBKWRLIKX-HNNXBMFYSA-N 372.424 5.292 10 1 FKCF C[C@H](/N=N/c1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1O 169689578 RZRIXOPFFLLMQS-XFJJUJPYSA-N 372.403 5.986 10 1 FKCF Oc1c([C@H](Nc2cccnc2)c2ccccc2)cc(Cl)c2cccnc12 1772619284 LUFVWZDWWYJCDI-LJQANCHMSA-N 361.832 5.190 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)ccnc3[nH]1)N2 587078622 XPUDPKGNMOOZCR-RWSFTLGLSA-N 357.244 5.091 10 1 FKCF Cc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 25978017 YRCXDWPPNQDQCB-UHFFFAOYSA-N 372.082 6.666 10 1 FKCF O=C(O)c1cc(/N=N/Cc2ccc(-c3ccccc3)cc2)ccc1Cl 169690823 SENCFABEXVJPDD-GHVJWSGMSA-N 350.805 5.989 10 1 FKCF Cc1ccc2oc(/C=C/C=C3\Sc4ccc(Cl)cc4N3C)[n+](C)c2c1 169323899 QPLKKXUTXHPKKQ-UHFFFAOYSA-N 369.897 5.316 10 1 FKCF Cc1ccc(C)c2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587194895 CRSYRNOLUAZZHE-UHFFFAOYSA-N 369.472 6.328 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 587259649 GXHATPSPWIJZRD-UHFFFAOYSA-N 356.655 5.392 10 1 FKCF CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2oc3ccccc3c12 72170693 NZMMQOKIDSBXPM-NRFANRHFSA-N 365.816 5.171 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(F)cc3)c2c1 169306809 FIZKGNXRTCHNJT-UHFFFAOYSA-N 352.796 5.933 10 1 FKCF C[C@@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccccn1 169727576 YLVCLIPJDCVVQD-ZGKJFVQXSA-N 353.429 5.461 10 1 FKCF Cc1c(-c2ccc(-n3cccc3)c(Cl)c2)[nH]c2cc(F)cc(F)c2c1=O 1772653522 BEDLYAXTAZSMRR-UHFFFAOYSA-N 370.786 5.226 10 1 FKCF CCN(CC)CCC[C@@H](Nc1c2ccccc2nc2ccccc12)C1CC1 29564177 OCMHNIZGOXAYRL-OAQYLSRUSA-N 361.533 5.701 10 1 FKCF CC(C)N(CCC[C@H](C)Nc1c2ccccc2nc2ccccc12)C(C)C 29563712 KUOMZDQBXHUPGW-IBGZPJMESA-N 363.549 6.087 10 1 FKCF CC(C)(C)c1cc(C2=NN[C@@H](c3ccccc3)C2)cc(C(C)(C)C)c1O 5950613 PETUJRIUSTWSAR-LJQANCHMSA-N 350.506 5.426 10 1 FKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 103272233 JHLWIZXWQUVYEI-JOCHJYFZSA-N 370.517 6.808 10 1 FKCF CC(C)Nc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1 473109117 PUAFOSVYFFWFRR-UHFFFAOYSA-N 366.549 5.374 10 1 FKCF Cc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)Oc2ccccc2)cc1 96937648 FCXZXEWDBADHAJ-NRFANRHFSA-N 372.424 5.051 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(O)c3)c2c1 169306811 BWMSCUXQECKPDV-UHFFFAOYSA-N 366.804 5.205 10 1 FKCF [N-]=[N+]=NC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501686 PXTGTCGLLXWNJU-FQEVSTJZSA-N 367.836 5.390 10 1 FKCF Cc1cc(CNCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1911586072 OVCYDKGCBDULHZ-UHFFFAOYSA-N 359.300 5.691 10 1 FKCF Cc1cnc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587194969 DPZGPCHEUFHAHT-UHFFFAOYSA-N 356.433 5.415 10 1 FKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2cccc(F)c2)cc1 587638096 UAOHSMPTZALQFE-UHFFFAOYSA-N 361.372 5.348 10 1 FKCF COc1ccc(C/N=N/c2cc(C)nc3ccc(Br)cc23)cc1 169688733 BQIAOAGYKNPKBN-LSDHQDQOSA-N 370.250 5.598 10 1 FKCF CCCNc1cc(OCC)c(Br)cc1-n1c(C)ccc1C 587937726 UGZLNSXUSLQZLJ-UHFFFAOYSA-N 351.288 5.077 10 1 FKCF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(O)c(O)c1)N2 49090037 UCPLSQHMOLJMQH-JHVJFLLYSA-N 353.462 5.030 10 1 FKCF CCO[C@@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924076 CKOAYHJABLIQHQ-HNNXBMFYSA-N 372.559 6.037 10 1 FKCF Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 28528078 JREPMVRKNBXUEM-HSZRJFAPSA-N 364.448 5.901 10 1 FKCF CCN(CC)Cc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O 40401793 XOXINILXXZVJNT-UHFFFAOYSA-N 354.881 5.026 10 1 FKCF CCC[C@@H](/N=N/c1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1 169687560 BDNHDNISVZSFDS-GSWFEHRJSA-N 351.841 5.817 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(C)c(C)c3)c1C)O2 587388385 APJMWWQGVWEAJZ-HSZRJFAPSA-N 374.484 5.308 10 1 FKCF Nc1ccc2c(c1)C(=Cc1ccc(C(F)(F)F)cc1)c1cc(N)ccc1-2 2382249616 NYMAFQFVJNYIKF-UHFFFAOYSA-N 352.359 5.439 10 1 FKCF COc1cccc2c1[C@H](C)C[C@H](C)[C@@H]2c1ccc2c(c1O)[C@@H](C)N[C@@H](C)C2 2356455671 CTZXUBSXMKUSBO-BQXPFJCYSA-N 365.517 5.271 10 1 FKCF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)ccc1C(C)C 587943867 QROKPIWKVBCVOU-UHFFFAOYSA-N 355.207 5.027 10 1 FKCF O=C(O)[C@@H]1CCCN(CC/C=C/c2cccc(/N=N/c3ccccc3)c2)C1 1857636563 JPHRIPYLXUCDMH-OWHFMWQRSA-N 363.461 5.302 10 1 FKCF CSc1ccc(-c2ccc(C)n2-c2cccc(Br)c2N)cc1 587936510 JZOCQUAFSSJMCE-UHFFFAOYSA-N 373.319 5.519 10 1 FKCF COc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2n1 587194792 BDZHAQGAJBEGOE-UHFFFAOYSA-N 372.432 5.115 10 1 FKCF COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)[nH]c2cc1C 33917575 SYGPBMZOSVBCHF-KPKJPENVSA-N 373.239 5.284 10 1 FKCF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@H](C1)C2 101279831 IRXMRJWMAGHOQR-CHWSQXEVSA-N 353.857 5.606 10 1 FKCF COc1ccc2ccc(O)c([C@@H](c3ccccc3)N3CCC(C)CC3)c2c1 653708435 BDHAAHQZFHCWNY-XMMPIXPASA-N 361.485 5.375 10 1 FKCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)CC)cc1C)CC2=O 587471088 YVWJBGBNVQNPLK-JOCHJYFZSA-N 367.489 5.206 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Cl)nc3[nH]1)N2 587078513 TXTVTFTYEDGJLQ-USBNGQNGSA-N 357.244 5.091 10 1 FKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C)c1O 27998716 XARBTYSESWKQSE-UHFFFAOYSA-N 369.896 5.488 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4csc5ccc(O)cc45)[nH]c3c2)cc1 587033038 PPRZPYUHQCKWQJ-UHFFFAOYSA-N 373.437 5.525 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccc(C)c3[nH]1)[C@H]1CC=C[C@H]21 587275376 CXYURLRQBFUUDP-QYWGDWMGSA-N 374.444 5.223 10 1 FKCF COCCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924471 ZWMMNVDWGIXBSH-UHFFFAOYSA-N 358.532 5.128 10 1 FKCF COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1C 587078449 RKIQRQNXKVXERE-MNVSYLFESA-N 365.864 5.360 10 1 FKCF FC(F)(F)c1cccc(N2CCN(/C=C/N=N/c3ccccc3)CC2)c1 40949584 IMAIRVCYMPOPGR-XXITZDMESA-N 360.383 5.083 10 1 FKCF Cc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1N1CCCC1 963113274 QMYAHKCUNWHCED-FQEVSTJZSA-N 361.316 5.137 10 1 FKCF CN1C(=CC=C[C@@H]2N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 2356841345 NHLGTFXJAPLESH-QFIPXVFZSA-N 358.529 5.650 10 1 FKCF NCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847043 VJJIQSGCAFPHBN-UHFFFAOYSA-N 369.512 6.193 10 1 FKCF CCC(=O)c1ccc2c(c1)/C(=C\CCN(C)C)c1cc(Cl)ccc1S2 40818304 ZFBYDZLQTATWET-OMCISZLKSA-N 371.933 5.781 10 1 FKCF CCC(CC)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924230 NKQPLNQQEPYLNO-UHFFFAOYSA-N 370.587 6.843 10 1 FKCF Cc1cc(C)c2c3c(oc2c1)C(=O)c1cc(CCCC(C)C)ccc1C3=O 96914028 RWFRBRHGMAIPIU-UHFFFAOYSA-N 360.453 5.804 10 1 FKCF O=C(O)[C@H]1CCCN(CC/C=C/c2ccc(/N=N/c3ccccc3)cc2)C1 1857630883 VMIHXEGNEZCDNK-DAORHIMVSA-N 363.461 5.302 10 1 FKCF CC(C)CCn1cc(CCCCc2ccc(O)c(O)c2)c2ccccc21 2382226017 JDUTXQVHXQFTLR-UHFFFAOYSA-N 351.490 5.664 10 1 FKCF CCc1ccc2c(Nc3ccc(CC(=O)O)cc3)c3ccccc3nc2c1 27998200 OVXOMRREYHBALC-UHFFFAOYSA-N 356.425 5.321 10 1 FKCF Cc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)Oc2ccccc2)cc1 96937649 FCXZXEWDBADHAJ-OAQYLSRUSA-N 372.424 5.051 10 1 FKCF Oc1ccc(Cl)cc1C/N=N/c1nc(-c2ccc(Cl)cc2)cs1 169722295 DXTSJZPAVANTTA-XUTLUUPISA-N 364.257 6.106 10 1 FKCF C/C(=C\C(C)=C1\Sc2ccccc2N1C)[C@@H]1Sc2ccccc2N1C 95771725 JUPLQPTXTGGZFU-ZIWITMIQSA-N 366.555 5.975 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3O)c2c1 72107676 CFIOEUADRYXMIO-UHFFFAOYSA-N 350.805 5.499 10 1 FKCF Cc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587078525 UMXZTYSLBLFPBE-QUJCMNEKSA-N 370.283 6.005 10 1 FKCF CCc1c(CN2CCSCC2)cc(-c2ccccc2)n1-c1ccccc1 45256830 YFTQSYDKIWBHIN-UHFFFAOYSA-N 362.542 5.256 10 1 FKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(F)c1O 28769120 AHDVSHLQKVCXLN-UHFFFAOYSA-N 373.859 5.318 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3c2)cc1 587087975 QITYIOMFADBCRY-UHFFFAOYSA-N 374.831 5.739 10 1 FKCF COC[C@@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924184 KOWLMGJLCUHGDW-CYBMUJFWSA-N 372.559 5.689 10 1 FKCF CCCCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924193 KVBPTBPKIXUVOR-UHFFFAOYSA-N 356.560 6.282 10 1 FKCF CCC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@H](C1)C2 101279840 HQUSYPKQXVWTEX-ZIAGYGMSSA-N 367.884 5.997 10 1 FKCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 103225954 PPPSKWGJGYDJPC-UHFFFAOYSA-N 374.410 5.098 10 1 FKCF COc1ccc([C@H](/N=N/c2cnnc(Cl)c2Cl)c2ccccc2)cc1 169721064 WGUQQIVYXLZTGX-DUPNKOKHSA-N 373.243 5.665 10 1 FKCF Cc1cc(F)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078003 DZNWXCHNZQYLQE-JCGVRSQUSA-N 353.828 5.490 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C)c(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587277196 QMDBLPBSERMNCZ-MRUHUIDDSA-N 374.444 5.223 10 1 FKCF Cc1ccc(C)c([C@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c1 95564617 TVPCDBKWPDJXDZ-XMMPIXPASA-N 368.480 6.067 10 3 FKCF Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CN1CCCCC1 27555420 GHUNFIVNMZFIMX-UHFFFAOYSA-N 367.880 5.323 10 1 FKCF O=C(O)/C=C/C=C\c1cccc(Nc2c3ccccc3nc3ccccc23)c1 111464178 UKLHUIWGVNJKIX-GSDYDIRISA-N 366.420 5.786 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586882908 CVELYJITIHQJOS-ZHBRXAKASA-N 359.473 5.405 10 1 FKCF Oc1ccc2ccccc2c1[C@@H](NC1CCCCC1)c1ccc(Cl)cc1 143620167 DGUUZVKCEKLVKO-QHCPKHFHSA-N 365.904 6.211 10 1 FKCF CCc1cccc2c(Nc3ccc(CCC(=O)O)cc3)c3ccccc3nc12 26847023 DSBQOPCMNHPVRD-UHFFFAOYSA-N 370.452 5.711 10 1 FKCF [N-]=[N+]=NCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587259681 HMUGHUJGFVFYNP-UHFFFAOYSA-N 361.755 5.528 10 1 FKCF COc1ccc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc1 96926964 BGTZOETWBWQVFD-SNAWJCMRSA-N 374.484 5.249 10 1 FKCF COc1ccccc1NC(=O)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 103187656 JMXYBTOZKUPYQP-QPLCGJKRSA-N 370.412 5.844 10 1 FKCF CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Sc2ccc(Cl)cc21 169323901 MASYVPJWLLDFKM-UHFFFAOYSA-N 355.870 5.007 10 1 FKCF CC[C@@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924419 XROHBNDIXMMLFD-CYBMUJFWSA-N 356.560 6.453 10 1 FKCF CCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)n1-c1ccccc1 1772592621 OPJPPPHWOSHFCK-UHFFFAOYSA-N 362.517 5.047 10 1 FKCF Cc1ccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)cc1 103187563 SAXYGCSDSCOUST-QPLCGJKRSA-N 354.413 6.144 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(CC(C)C)c3ccccc13)O2 587391645 STLXDEJUJRMPLJ-NRFANRHFSA-N 362.473 5.203 10 1 FKCF COc1ccc(/N=N\c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 4851366 LEKYIHVWFVQKEF-QPLCGJKRSA-N 354.413 6.168 10 1 FKCF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12 34742930 PKFRXFDKJHUTSK-YVUMSICPSA-N 355.478 5.580 10 1 FKCF biogenic CCc1c(C(=O)Nc2ccc3ccccc3c2)cc(C)n1-c1ccccc1 1772648183 RYCCPUAHXXLZCA-UHFFFAOYSA-N 354.453 5.754 10 1 FKCF COc1ccc(C(=O)N=NC2=C(O)c3c(C)cc(C)cc3CC2(C)C)cc1 617995173 ZZCZIKOZZKTXCD-UHFFFAOYSA-N 364.445 5.414 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(F)c(F)c3)c2c1 169306810 YXNMHLINIKHHRM-UHFFFAOYSA-N 370.786 6.072 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161413 NOKNYJRWKWAAMR-RTBURBONSA-N 359.404 5.348 10 1 FKCF Cc1cccc2c1cc1n2-c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 71341900 NLCMPVZLORLAMZ-DEOSSOPVSA-N 353.469 5.520 10 1 FKCF CCc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587277383 VDKRVVXPKJEVQZ-GCKMJXCFSA-N 374.444 5.168 10 1 FKCF [N-]=[N+]=N[C@@H](CO)CCC/C=C\CCCCCCC/C=C\CCCC(=O)O 1857587378 NPJODABWUQUISW-DPTNXLIISA-N 365.518 5.926 10 1 FKCF CCOC(=O)c1cc(C)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1C 587943344 XKDQODXZXDEOJR-UHFFFAOYSA-N 370.276 5.365 10 1 FKCF COc1cccc(-c2cccc(-n3c(C)cc4c3CC(C)(C)CC4=O)c2)c1 587937783 NTWGQFZCPONMNK-UHFFFAOYSA-N 359.469 5.616 10 1 FKCF CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2ccc(OC)cc12 4416939 PCAVCGOUIHDLJZ-KRWDZBQOSA-N 365.521 5.319 10 1 FKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)cc1 587195247 HEOPRIYPBCDVCZ-UHFFFAOYSA-N 371.444 5.204 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586891547 UEXWTASZIWRGDU-RDPSFJRHSA-N 367.452 5.309 10 1 FKCF Cc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587078692 ZQTNIMUPZAGHFS-QUJCMNEKSA-N 353.828 5.490 10 1 FKCF Nc1ccc(Oc2ccc3nc(CNc4ccccc4Cl)[nH]c3c2)cc1 587061714 INKLILJUEXGQBY-UHFFFAOYSA-N 364.836 5.203 10 1 FKCF CCCOc1ccc(/C=C2\SC(c3ccc(Cl)cc3)=NC2=O)cc1 84669954 QXPQNMORXNOKSB-ATVHPVEESA-N 357.862 5.190 10 1 FKCF CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 1857759141 HWVYJFAFWQQLRF-UHFFFAOYSA-N 363.844 5.339 10 1 FKCF Cc1cc(-c2csc(C3CCCCC3)n2)c(C)n1-c1ccccc1F 587922843 XQZVUYSWKZEHCQ-UHFFFAOYSA-N 354.494 6.404 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccoc4)n3)c2C)c1 587924370 UXKUMVQVCZRARA-UHFFFAOYSA-N 366.511 6.200 10 1 FKCF CC/C(=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccc(C)cc1 587969221 ZSHARIRJKCRYPA-VKAVYKQESA-N 369.468 6.196 10 1 FKCF COc1cccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587195397 JWMTXDJPVDNHAD-UHFFFAOYSA-N 371.444 5.720 10 1 FKCF CN(C)c1ccc([C@H]2CCc3ccccc3N2C(=O)c2ccccc2)cc1 38142115 USTHYIAFNZXSAZ-HSZRJFAPSA-N 356.469 5.087 10 1 FKCF Cc1ccc(C(=O)/N=N/c2c(O)[nH]c3c(C)cc(Br)cc23)cc1 103973504 XBXJCEIKXQXOAB-QZQOTICOSA-N 372.222 5.177 10 1 FKCF C[C@@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1 169727572 VKGYHWFYDRAESS-ZGKJFVQXSA-N 368.440 5.771 10 1 FKCF CCCCN(Cc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1 45335538 AYBZPORZUSISPX-UHFFFAOYSA-N 367.276 5.533 10 1 FKCF Oc1ccccc1CNc1ccc(-c2cccc(OC(F)(F)F)c2)cc1 473082736 LAMJJWYPBRGNMS-UHFFFAOYSA-N 359.347 5.570 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4ccc5ccccc5c4N)[nH]c3c2)cc1 587253361 JGLWQFNLZWFUNC-UHFFFAOYSA-N 366.424 5.340 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]23C)c1 13431223 NRCWDIHJNWCNBP-FHJLPGHOSA-N 372.505 5.226 10 1 FKCF biogenic Cc1cc2c(cc1Sc1ncc(C(=O)O)s1)C(C)(C)CCC2(C)C 1486710 MFXZCSFIVCAYBX-UHFFFAOYSA-N 361.532 5.650 10 1 FKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 103272236 JHLWIZXWQUVYEI-QFIPXVFZSA-N 370.517 6.808 10 1 FKCF [N-]=[N+]=NCCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 2382222318 KOWFLRMZTONTHL-UHFFFAOYSA-N 364.518 6.131 10 1 FKCF O=[N+]([O-])c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12 13864584 WHGVDNGKHQECSW-QURGRASLSA-N 359.341 5.728 10 1 FKCF Oc1ccc2ccccc2c1-c1cc2nc3ccccc3nc2c2ccccc12 72110963 JFMRIONTNBECPF-UHFFFAOYSA-N 372.427 6.462 10 1 FKCF Oc1ccc(/N=N/c2ccccc2)cc1CNC12CC3CC(CC(C3)C1)C2 169337784 YUOBZADIWAQPRQ-OCEACIFDSA-N 361.489 5.866 10 1 FKCF COc1cc(Cl)ccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587066808 SGOUCRNTVXVPCM-UHFFFAOYSA-N 365.820 5.266 10 1 FKCF CCOC(=O)c1cc(C)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1C 587946414 XVGKRRVPISUSHQ-UHFFFAOYSA-N 371.383 5.341 10 1 FKCF CC[C@H](C)N(c1ccc(/C=C/c2ccnc3ccccc23)cc1)[C@H](C)CC 5499944 WNYHPCDURNAWDP-PYBMWBBRSA-N 358.529 6.809 10 1 FKCF Cc1ccccc1C[n+]1cccc(Cn2c3c(c4ccccc42)CCCC3)c1 1857537158 BMUDGTILWCNILM-UHFFFAOYSA-N 367.516 5.213 10 1 FKCF Cc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3ccccc3O)C2)cc1 4730021 AEDVTYDYLUKUJK-UPVQGACJSA-N 356.469 5.232 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C)c(C)c3[nH]1)[C@H]1CC=C[C@H]21 587277197 QMDBLPBSERMNCZ-QYWGDWMGSA-N 374.444 5.223 10 1 FKCF CCN(CC)c1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587925944 WGGIDXOVULDDIE-UHFFFAOYSA-N 354.544 6.045 10 1 FKCF Cc1cc(-c2csc(-c3ccnc(O)c3)n2)c(C)n1-c1ccccc1F 587922851 YBTXQEQHQZKCFK-UHFFFAOYSA-N 365.433 5.124 10 1 FKCF Cc1cc(C)cc([C@@H](c2c(O)ccc3ccccc23)N2CCC(C)CC2)c1 653711500 NCRLMCJMEMPCAH-VWLOTQADSA-N 359.513 5.984 10 1 FKCF O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccccc3Cl)[nH]c12 587637456 CYQYMUWJMNNNJI-UHFFFAOYSA-N 365.791 5.993 10 1 FKCF Cc1ccc2nc(/N=N/Cc3ccccc3F)nc(-c3ccccc3)c2c1 169691994 HUQNHVBUDCPKAQ-SOYKGTTHSA-N 356.404 6.028 10 1 FKCF COc1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169724116 BIXFSOKLHGGSHU-SOYKGTTHSA-N 368.440 5.513 10 1 FKCF CSc1ccc(-c2ccc(C)n2-c2ccc(O)c(-c3ccccc3)c2)cc1 587927278 SSRYYYRHBKKMPU-UHFFFAOYSA-N 371.505 6.547 10 1 FKCF CN1C(=CC=C[C@H]2N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 2356841344 NHLGTFXJAPLESH-JOCHJYFZSA-N 358.529 5.650 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161410 NOKNYJRWKWAAMR-MOPGFXCFSA-N 359.404 5.348 10 1 FKCF COc1cccc(-c2cc(C(C)(C)N=[N+]=[N-])nc3c2oc2ccccc23)c1 587362292 GNCJWCCXBRFJBY-UHFFFAOYSA-N 358.401 6.202 10 1 FKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C)c(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277199 QMDBLPBSERMNCZ-ZOCZFRKYSA-N 374.444 5.223 10 1 FKCF Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNC1CCCCC1 45372952 BITVBBPIIOCKEJ-UHFFFAOYSA-N 366.892 5.683 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3OC)c2c1 72107222 VQNBNCTXKXADOD-UHFFFAOYSA-N 364.832 5.802 10 1 FKCF COc1cc2c(/C=C3/C(=O)Nc4cc(Cl)ccc43)c(Cl)[nH]c2cc1C 58582613 XYCPZJMSKUXINB-VGOFMYFVSA-N 373.239 5.284 10 1 FKCF CC[n+]1c(/C=C2\Sc3oc4ccccc4c3N2C)ccc2cc(C)ccc21 4838698 SCNOPIWYMVOAAI-UHFFFAOYSA-N 373.501 5.742 10 1 FKCF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@@H](C1)C2 45284539 IRXMRJWMAGHOQR-OLZOCXBDSA-N 353.857 5.606 10 1 FKCF COc1cc(C)c2nc3cc(Cl)ccc3c(NCc3ccccc3)c2c1 96915354 PJYKPFLLBSNHHC-UHFFFAOYSA-N 362.860 5.971 10 1 FKCF CNc1cc(Cl)ccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587066788 RSHOBMCPFRCLPP-UHFFFAOYSA-N 364.836 5.300 10 1 FKCF Cc1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c(C)n1 587077865 BDMGOPYKSZPWMA-KSMMKXTCSA-N 350.853 5.055 10 1 FKCF CN(C)c1ccc2c(Nc3ccccc3)c3ccc(N(C)C)cc3nc2c1 29309534 QSGOIQOBDWICCI-UHFFFAOYSA-N 356.473 5.264 10 1 FKCF Nc1ccc(Oc2ccc3nc(Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1 587174014 BWJMWUKIMWKCFT-UHFFFAOYSA-N 372.403 5.149 10 1 FKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)cc1 586878792 AUAASEZDZYTLAF-UHFFFAOYSA-N 355.441 5.872 10 1 FKCF CCc1cccc2c(Nc3ccc(CC(=O)O)cc3)c3ccccc3nc12 26841245 VZMHPDIMJGXKCP-UHFFFAOYSA-N 356.425 5.321 10 1 FKCF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586885589 COERZKUFJVQFFJ-NYHFZMIOSA-N 373.456 5.083 10 1 FKCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCc2ccccc2C1 103262362 NYYCYXVNUFQHQK-UHFFFAOYSA-N 369.464 5.288 10 1 FKCF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)n1-c1ccccc1 587875465 OXDSYLLSUJWTMD-UHFFFAOYSA-N 373.387 4.891 10 1 FKCF O=C1c2ccccc2-c2nc(-c3cccc(O)c3)cc(-c3ccc(O)cc3)c21 1857744475 LVFLYHJJYSAZFJ-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF CC(=O)N1c2ccccc2[C@H]2C=CC[C@H]2[C@H]1c1cccc(Br)c1 1857762306 ODMXKZYWJPNFPZ-YVWKXTFCSA-N 368.274 5.217 10 1 FKCF Oc1ccc(CCCCc2cc3cccc4ccc5cccc2c5c43)cc1O 2382231510 GXODZZIYOIJTBP-UHFFFAOYSA-N 366.460 6.561 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586891538 UEXWTASZIWRGDU-GBXCKJPGSA-N 367.452 5.309 10 1 FKCF O=C(O)c1ccc([C@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1 4168320 KIOLLIIPTYWXJD-QZNHQXDQSA-N 367.448 5.878 10 1 FKCF CC(=O)c1cc2ccc([C@H](c3ccc(F)cc3)N3CCCCC3)c(O)c2o1 2382258974 ZYMLIOQZKOLCNJ-FQEVSTJZSA-N 367.420 5.055 10 1 FKCF CP(C)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 28240730 ZFICHPSNTDZKKU-UHFFFAOYSA-N 361.385 6.081 10 1 FKCF CC(C)=CCCC(C)=CCCC(C)=CCc1c(C(=O)O)ccc(O)c1O 2356417996 UCABGNLSVBUJSM-UHFFFAOYSA-N 358.478 5.758 10 1 FKCF Cc1cccc2c(Nc3ccc(CCC(=O)O)cc3)c3ccccc3nc12 26841281 WPNLEVAAVSLIMJ-UHFFFAOYSA-N 356.425 5.457 10 1 FKCF CCC[C@H](CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12 29560069 GFHOQRLLLDDZLJ-LJQANCHMSA-N 363.549 6.091 10 1 FKCF Cc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n(C)c2c1 587516278 RHPCQDDAWYXZAW-JOCHJYFZSA-N 359.469 5.380 10 1 FKCF COc1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12 45301066 VDXZGBDLAWWJHR-UHFFFAOYSA-N 367.452 5.533 10 1 FKCF O=C(Nc1ccccc1F)c1ccccc1/N=N\c1c[nH]c2ccccc12 98084392 LKXTWKWWLPVPHV-QPLCGJKRSA-N 358.376 5.975 10 1 FKCF Nc1[nH]c(/N=N/c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 101861992 OHQQJGGBAIQLIM-GHVJWSGMSA-N 353.838 5.942 10 1 FKCF CCCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1 29132182 ROQSZNSMJGPIEE-UHFFFAOYSA-N 363.501 5.924 10 1 FKCF Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c(Cl)c1 58502266 NQIQRNIAYHHQBL-HOIFWPIMSA-N 366.291 6.973 10 1 FKCF CC(C)CC1=CC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 2356415403 KKYHYIALLHGSET-UHFFFAOYSA-N 373.246 5.579 10 1 FKCF COc1ccc(C(=O)/N=N/C2=C(O)c3c(C)cc(C)cc3CC2(C)C)cc1 103939565 ZZCZIKOZZKTXCD-WCWDXBQESA-N 364.445 5.414 10 1 FKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)cccc4[nH]3)cc2)cc1 587194852 CFHWTPKKJFJCCG-UHFFFAOYSA-N 357.417 5.417 10 1 FKCF C[C@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1 169690360 IZFZLWCURGRGOW-BNBQJZKNSA-N 374.611 5.291 10 1 FKCF Cc1cc(-c2cc3c4c(cccc4n2)CC3)c(C)n1-c1ccc(C(=O)O)cc1 587210679 DNYDPSKXSIAHET-UHFFFAOYSA-N 368.436 5.106 10 1 FKCF CN(C)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)cc3)c2)cc1 28949045 NIMXHYVZRNIANZ-GFULKKFKSA-N 368.524 6.159 10 1 FKCF Cc1c(Br)cc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1C 587260593 VHZPHLQXOATEJH-UHFFFAOYSA-N 350.264 5.355 10 1 FKCF Fc1ccc(-c2csc(/N=N/Cc3c[nH]c4ccccc34)n2)c(F)c1 169728131 VWQSXLOEZKKYIJ-ZNTNEXAZSA-N 354.385 5.854 10 1 FKCF CCN1/C(=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 140091245 CGLXKOOTHFRWJT-UHFFFAOYSA-N 371.548 5.950 10 1 FKCF Cc1c(Cl)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078186 KFOGIZRESAZMKC-QUJCMNEKSA-N 370.283 6.005 10 1 FKCF CC(C)CN(CC(C)C)c1ccc(/C=C/c2nc3ccccc3s2)cc1 36381203 LZCDNRDMPQEBTD-SDNWHVSQSA-N 364.558 6.585 10 1 FKCF CCc1cc2n(c1C)-c1ccc(Cl)cc1C(c1c(F)cccc1F)=NC2 34588340 QQELXBUDSKTLPO-UHFFFAOYSA-N 370.830 5.631 10 1 FKCF O=C(O)c1cc(-n2c(-c3ccc(Cl)cc3)cc3c2CCCC3)ccc1O 39194368 QHNSPKRMNKJESS-UHFFFAOYSA-N 367.832 5.080 10 1 FKCF Cc1cccc(-c2c(O)c(O)cc3c2CCN(C)C[C@H]3c2cccc(C)c2)c1 40937033 UMKIZESDRWUELC-QFIPXVFZSA-N 373.496 5.001 10 1 FKCF Fc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1C(F)(F)F 103185114 YDZZKVSVSDWPOT-UHFFFAOYSA-N 373.309 5.352 10 1 FKCF Clc1ccc2c(/N=N/Cc3ccc(Br)cc3)ccnc2c1 169688171 NDQGWVYDYYRMIE-QZQOTICOSA-N 360.642 5.935 10 1 FKCF CCOP(=O)(OCC)[C@H](Nc1ccccc1Cl)c1ccccc1O 82152553 FSXWRYHYWJUFSM-KRWDZBQOSA-N 369.785 5.422 10 1 FKCF O=C1c2ccccc2-c2nc(-c3ccccc3O)cc(-c3ccc(O)cc3)c21 1857644137 BQMLWPJHXJVBIB-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF CC[C@@H](C)N(c1ccc(/C=C/c2ccnc3ccccc23)cc1)[C@H](C)CC 72122070 WNYHPCDURNAWDP-HZFXBWRWSA-N 358.529 6.809 10 1 FKCF Fc1cccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)c1 1857537563 RKDYNZRATAIMQF-UHFFFAOYSA-N 371.479 5.043 10 1 FKCF Cc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3ccccc3O)C2)cc1 4730024 AEDVTYDYLUKUJK-ISKFKSNPSA-N 356.469 5.232 10 1 FKCF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586885588 COERZKUFJVQFFJ-IVZQSRNASA-N 373.456 5.083 10 1 FKCF Oc1c(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc12 4169976 PNJUUUNRFPGTPO-KRWDZBQOSA-N 357.240 5.291 10 1 FKCF CC1(C)CC(C)(C)c2cc(NC(=S)NNc3ccccc3)ccc2S1 1857579460 OKJPCFFYBLMORI-UHFFFAOYSA-N 371.575 5.552 10 1 FKCF COCc1cc(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]1C2 13437238 YCNIFSHJDNZEIT-DPZOUVDISA-N 358.522 5.301 10 1 FKCF biogenic CCCCC1CCC(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 586884171 LDHYWAGOJINENE-UHFFFAOYSA-N 363.505 6.401 10 1 FKCF CC(C)CNc1ccc(C(=O)c2ccccc2)c2c1OCC1(CCCC1)N2 27559240 BOJVTPAAGBBEGA-UHFFFAOYSA-N 364.489 5.103 10 1 FKCF O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 4820646 RRCBSKUUIZVMFI-LXIYXOSZSA-N 359.347 5.230 10 1 FKCF CCCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1O 87530426 KNKDNJICGOOILC-HZJYTTRNSA-N 360.538 6.769 10 1 FKCF in-vitro Cc1cc(CNC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccc(Cl)cc1 653846310 VTLQWWSMIYMOCU-UHFFFAOYSA-N 368.952 5.662 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(N=Nc3ccccc3)ccc1O)O2 587387665 RIGDFUCDQPOYMI-NRFANRHFSA-N 373.412 5.405 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(C)c(C)c3)c1C)O2 587388388 APJMWWQGVWEAJZ-QHCPKHFHSA-N 374.484 5.308 10 1 FKCF Cc1cc(-n2c(C)ccc2C)nc(CCCCCCCCCCO)c1O 95557659 AUZSIEYKYIQOMD-UHFFFAOYSA-N 358.526 5.159 10 1 FKCF CC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)CN(C)C)c1cc(Cl)ccc1S2 40511572 SREZHYAFJGCSKY-LFMVTYOGSA-N 371.933 5.637 10 1 FKCF Cc1ccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c(C)c1 103187559 DPBVTWXYBSZZFD-RQZHXJHFSA-N 368.440 6.452 10 1 FKCF COc1ccc2ccc(O)c([C@H](c3ccccc3)N3CCC(C)CC3)c2c1 653708434 BDHAAHQZFHCWNY-DEOSSOPVSA-N 361.485 5.375 10 1 FKCF Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]23)c(Cl)c1 13634814 NQIQRNIAYHHQBL-YVHKJVDXSA-N 366.291 6.973 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(COC(C)=O)n3)c2C)c1 587924083 CVXGEJHZYYQXCK-UHFFFAOYSA-N 372.515 5.003 10 1 FKCF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/N=N/c1ccc(OC)cc1 1857568371 ILXTUEXYSOOQDD-QURGRASLSA-N 357.797 5.422 10 1 FKCF Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)ccc1O 103285100 OPOARLQPGLZQDU-HSZRJFAPSA-N 371.484 5.122 10 1 FKCF COc1ccccc1C/N=N/c1nc2ccccc2nc1Cc1ccccc1 169727587 OUAYPOGSNBDTSJ-SOYKGTTHSA-N 368.440 5.513 10 1 FKCF Cc1ccccc1NC(=O)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 103187658 XPOCHLFPXQBFAK-QPLCGJKRSA-N 354.413 6.144 10 1 FKCF c1ccc2c(Nc3ccc(NC4CCCCC4)cc3)c3ccccc3nc2c1 53151294 GEAMDDXMFDAPHC-UHFFFAOYSA-N 367.496 6.876 10 1 FKCF CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc1 618016589 IJDKDDNYDGBEJN-HSZRJFAPSA-N 361.489 5.768 10 1 FKCF Cc1ccc(C(C)C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943646 LZMCLVSVYUAQPJ-UHFFFAOYSA-N 369.411 5.544 10 1 FKCF Cc1ccc(-c2cc3c(C(=O)O)c(O)c(O)c(C(C)C)c3cc2C)cc1 653813141 CECXNCSIHSXTFC-UHFFFAOYSA-N 350.414 5.356 10 1 FKCF CC[n+]1cc(N(C)C)cc2ccc(/C=C/C=C/c3ccc(N(C)C)cc3)cc21 84385744 QZAVVMJLSCCQND-UHFFFAOYSA-N 372.536 5.006 10 1 FKCF CCCCN(CCCC)c1ccc([C@H]2NCCc3cccc(Cl)c32)cc1 963391662 WGLQOPQQSDQANY-HSZRJFAPSA-N 370.968 5.982 10 1 FKCF c1ccc2c(Nc3ccc(CN4CCCC4)cc3)c3ccccc3nc2c1 26637369 QPIPWQDMZKDMIG-UHFFFAOYSA-N 353.469 5.727 10 1 FKCF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586885590 COERZKUFJVQFFJ-OYHNWAKOSA-N 373.456 5.083 10 1 FKCF CC[C@H](Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O 26851174 XBOIINIDSLCBGN-NRFANRHFSA-N 372.424 5.374 10 1 FKCF COc1cccc2c1[C@H](C)C[C@H](C)[C@@H]2c1ccc2c(c1O)[C@H](C)N[C@@H](C)C2 2356455673 CTZXUBSXMKUSBO-VPEYGQHGSA-N 365.517 5.271 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)c1 137672776 VXQUGYOYJDITTO-OVOQHVDUSA-N 372.505 5.226 10 1 FKCF CCN(CC)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 95589170 FLMDWYWUDLNEMN-UHFFFAOYSA-N 358.529 5.735 10 1 FKCF Cc1ccc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1F 587146208 DDSZULWCOGTREO-WCIBSUBMSA-N 359.404 5.555 10 1 FKCF CO[C@@H]1c2cc(O)c(O)cc2O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 13412977 YKDSZDGDSDTQSB-QTTNWMCISA-N 360.494 5.179 10 1 FKCF biogenic Cn1cccc1CN1CCc2sccc2[C@@H]1c1c(O)ccc2ccccc12 962402005 YHQFHBCOGJRFJO-HSZRJFAPSA-N 374.509 5.093 10 1 FKCF Nc1ccc(Oc2ccc3nc(CCCCc4cccc(O)c4)[nH]c3c2)cc1 586896479 RPJRIDGLAKUTRL-UHFFFAOYSA-N 373.456 5.208 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4ncccc4C(F)(F)F)[nH]c3c2)cc1 587108745 QMJOZEDFKFALCE-UHFFFAOYSA-N 370.334 5.018 10 1 FKCF CCCCCNCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26578587 DKIYQVPLLLIBAW-UHFFFAOYSA-N 369.512 6.411 10 1 FKCF CO[C@@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924247 OHBWQVBONFDMSC-AWEZNQCLSA-N 358.532 5.647 10 1 FKCF CCCOc1ccc(C/N=N/c2ccc(C(=O)O)cc2)c(OCCC)c1 169689890 XUSMHQQUYIITOK-QURGRASLSA-N 356.422 5.246 10 1 FKCF CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 72106657 RZRNCVTVGPHQKV-PDGQHHTCSA-N 362.816 5.005 10 1 FKCF Oc1ccc([C@@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)c(O)c1 169724724 TXRIMWVFFGXNQX-SFTDATJTSA-N 354.409 6.043 10 1 FKCF CC(=O)N1c2ccc(Br)cc2[C@H]2C=CC[C@H]2[C@H]1c1ccccc1 1857760932 GXQJQHBGCSQYFE-SQGPQFPESA-N 368.274 5.217 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cccc(Cl)c3[nH]1)N2 587077951 CMCJXDRPCFJBAI-JKDFXYPNSA-N 356.256 5.696 10 1 FKCF CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2ccc(OC)cc12 6382063 PCAVCGOUIHDLJZ-QGZVFWFLSA-N 365.521 5.319 10 1 FKCF CCCCC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26849180 JAIFJGUAEYREBQ-UHFFFAOYSA-N 369.468 6.260 10 1 FKCF Cc1ccc([C@@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c(C)c1 199240881 BXTGHAOTRRMZBK-XMMPIXPASA-N 368.480 6.067 10 3 FKCF CCSc1nn(-c2c3ccccc3nc3ccccc23)c(=S)s1 5580960 WOELHTGKZYFIQW-UHFFFAOYSA-N 355.513 5.477 10 1 FKCF Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(CNC(C)(C)C)c1O 26664555 AZLDJCPMKDPGKB-UHFFFAOYSA-N 369.896 5.534 10 1 FKCF [N-]=[N+]=NCc1cc(CN=[N+]=[N-])cc(-c2cc(CN=[N+]=[N-])cc(CN=[N+]=[N-])c2)c1 146004189 MWHLGWPGFJDLBU-UHFFFAOYSA-N 374.372 6.595 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4cc(S)ccc4F)[nH]c3c2)cc1 587142890 POIDVTWFUHYUSE-UHFFFAOYSA-N 351.406 5.032 10 1 FKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C)c3cc(C)ccc13)CC2=O 587468862 BNSMKARZDURXJZ-OAQYLSRUSA-N 363.457 5.160 10 1 FKCF O=C(O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 11026166 WFPRFHVNTFKWKM-VGTOOOLASA-N 360.240 5.518 10 1 FKCF Clc1ccc(/N=N/c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 72177087 SGHKFADESMRBHP-OCOZRVBESA-N 366.251 7.557 10 1 FKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(O)cc1 169730522 ICPMRCPVULQDNL-OCEACIFDSA-N 366.380 5.451 10 1 FKCF Cc1c(C[C@@H](N)c2ccccc2)c2cc(F)ccc2n1Cc1ccccc1 1857538452 ZHFNWZKXPYJBOH-HSZRJFAPSA-N 358.460 5.380 10 1 FKCF CC(C)(C)c1cc(C2=NN[C@H](c3ccccc3)C2)cc(C(C)(C)C)c1O 5950611 PETUJRIUSTWSAR-IBGZPJMESA-N 350.506 5.426 10 1 FKCF Cc1c(CN2CCSCC2)cc(-c2ccccc2)n1-c1ccc(F)cc1 53122836 NBCCOHRERXORQE-UHFFFAOYSA-N 366.505 5.141 10 1 FKCF CCc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1CC 586878593 GSFIESMHYKPZTA-UHFFFAOYSA-N 357.457 5.729 10 1 FKCF FC(F)(F)c1cc(/N=N/C2=CN(CC3C=CC=C3)CCC2)ccc1Cl 58581054 YIWIEEPZLJUPGH-WCWDXBQESA-N 367.802 6.122 10 1 FKCF CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C=Cc3ccccc3O2)cc1 5586353 BLXGQCWGQHENFJ-UHFFFAOYSA-N 370.496 5.168 10 1 FKCF Cc1cc(/N=N/Cc2ccccc2Cl)nc(NCc2ccccc2)n1 169688069 LSYZEGFYJVGRCA-YYDJUVGSSA-N 351.841 5.334 10 1 FKCF Cc1cc(Cl)cc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)c1O 962673231 YBNTWZCWUQMNFO-QHCPKHFHSA-N 363.888 5.430 10 1 FKCF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)ccc32)cc1 95596867 IIVDCVVZBFHHRJ-UHFFFAOYSA-N 371.484 5.599 10 1 FKCF Cc1ccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c(C)c1 103187652 IFRMFDSHDPPTNX-RQZHXJHFSA-N 368.440 6.452 10 1 FKCF Oc1ccc([C@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)c(O)c1 169724725 TXRIMWVFFGXNQX-RTWAWAEBSA-N 354.409 6.043 10 1 FKCF COc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1 5853993 BHBVGCPGLSBKEQ-UHFFFAOYSA-N 364.832 5.802 10 1 FKCF Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)n12 17142209 KFYKXFZNZAHSDY-QZQOTICOSA-N 363.402 5.695 10 1 FKCF Cc1cccc(C(=O)Nc2ccc3nc(-c4ccc(N(C)C)cc4)oc3c2)c1 40860038 GSZAPANPNREHMO-UHFFFAOYSA-N 371.440 5.122 10 1 FKCF O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)N2 49089971 TVDDEOHTELKSSG-RVKKMQEKSA-N 359.347 5.230 10 1 FKCF Cc1ccc([C@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c(C)c1 199240867 BXTGHAOTRRMZBK-DEOSSOPVSA-N 368.480 6.067 10 3 FKCF Oc1ccc([C@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)c(O)c1 169724727 TXRIMWVFFGXNQX-NHCUHLMSSA-N 354.409 6.043 10 1 FKCF Cc1cc(C)c2[nH]c(O)c(N=NC(=O)c3cc4c(s3)CCCC4)c2c1 299813311 QHSIUVMJKJGVLP-UHFFFAOYSA-N 353.447 5.355 10 1 FKCF CC1(C)CCC(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 587959948 CLPRBMSKRCNLQL-UHFFFAOYSA-N 372.468 5.097 10 1 FKCF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 84729780 ODVYIAMUSCZGRO-DEOSSOPVSA-N 355.485 5.744 10 1 FKCF CCOC(=O)[C@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922245 MDGGPUMNLHXORF-CYBMUJFWSA-N 372.465 5.023 10 1 FKCF COc1ccc([C@@H](/N=N/c2cnnc(Cl)c2Cl)c2ccccc2)cc1 169721063 WGUQQIVYXLZTGX-AWZKZOKMSA-N 373.243 5.665 10 1 FKCF Cc1cnc(Cl)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587077966 DFVWNWQAENONPU-OZVIIMIRSA-N 371.271 5.400 10 1 FKCF Nc1ccc(Oc2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)cc1 587959902 IQVYHACTCLSIKH-JXFKEZNVSA-N 355.441 5.284 10 1 FKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3F)c2c1 72108489 JSYODRTYHJDABP-UHFFFAOYSA-N 352.796 5.933 10 1 FKCF [N-]=[N+]=NC(COc1cccc2ccccc12)COc1cccc2ccccc12 2178320260 UGUWQPQGFKHJQL-UHFFFAOYSA-N 369.424 6.130 10 1 FKCF COc1ccc2nc3ccccc3c(NCCc3c[nH]c4ccccc34)c2c1 45285037 YVWWRHFXKICYSK-UHFFFAOYSA-N 367.452 5.533 10 1 FKCF Cc1cc(-c2csc(-c3ccc(F)cc3)n2)c(C)n1-c1ccccc1F 587922535 PTXRDTVBBGMBRG-UHFFFAOYSA-N 366.436 6.163 10 1 FKCF Oc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Sc2ccccc2N1 87612839 QDYZYVYQIFIQPE-GHTZIAJQSA-N 351.446 5.922 10 1 FKCF O=C1CCCN1[C@H](c1cccc2ccccc12)c1c(O)ccc2ccccc12 1772650833 HQWQYZDWHMAYGN-RUZDIDTESA-N 367.448 5.410 10 1 FKCF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2ccc(N3CCCC3)cc2)cc1 962664864 HWJIOBBMWKNRJQ-VWLOTQADSA-N 354.497 5.189 10 1 FKCF c1ccc(N=Nc2ccc3c(-c4ccccc4)n[nH]c(-c4ccccc4)c2-3)cc1 2356815116 COWSMKSQVMUGMX-UHFFFAOYSA-N 374.447 7.264 10 1 FKCF Oc1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727574 FVTVODSPEDSUEY-WNAAXNPUSA-N 354.413 5.210 10 1 FKCF COc1ccc2ccc(O)c([C@@H](c3cccs3)N3CCCCC3)c2c1 653708446 FQPBANSKJZAGEX-OAQYLSRUSA-N 353.487 5.191 10 1 FKCF Cc1ccccc1-c1ccccc1C/N=N/c1c(Cl)cncc1Cl 169719155 HTTGCYHUGFQKSU-WCWDXBQESA-N 356.256 6.648 10 1 FKCF CCCC/C=C\CCCCCCCC(=O)CCCCc1ccc(O)c(O)c1 136331310 SSDILCQDXPFNLP-WAYWQWQTSA-N 374.565 6.857 10 1 FKCF C[C@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccccc1 169727571 AZDDICUJFBRJFV-QUNNOBFSSA-N 352.441 6.066 10 1 FKCF O=C(c1ccc(N=Nc2ccccc2)cc1)c1coc2ccc(Cl)cc12 587277793 CGLBFCUZZOBDRD-UHFFFAOYSA-N 360.800 6.733 10 1 FKCF Clc1ccc2c(/N=N\Cc3ccc(CN4CCCC4)cc3)ccnc2c1 169719669 QTCNNZDTAHGGNH-IZHYLOQSSA-N 364.880 5.768 10 1 FKCF Cc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)c(C)n2C 587514049 FEBWUXDJSZLEEB-JOCHJYFZSA-N 359.469 5.380 10 1 FKCF COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)[nH]c2cc1C 6522236 IHDRBUNCSBKAIX-VGOFMYFVSA-N 373.239 5.284 10 1 FKCF CCCCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26578124 RBOVNWIDQKQXDL-UHFFFAOYSA-N 370.496 7.091 10 1 FKCF CC1(C)CC2=Nc3ccccc3N[C@H](c3cc(Cl)ccc3O)C2=C(O)C1 100629523 YQOPJLDMZCYSQH-HXUWFJFHSA-N 368.864 5.917 10 1 FKCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccc(Cl)cc1 653808301 CBIYQMWUNBDPJX-UHFFFAOYSA-N 355.894 5.556 10 1 FKCF COc1cccc([C@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c1 95564754 MDOZEKOSAHOQPL-QFIPXVFZSA-N 370.452 5.459 10 3 FKCF Cc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3ccccc3O)C2)cc1 4730023 AEDVTYDYLUKUJK-VWNXMTODSA-N 356.469 5.232 10 1 FKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 587196078 QDXVTOIZQDGQDD-UHFFFAOYSA-N 359.408 5.850 10 1 FKCF CN1C=C2Sc3cc(-c4ccccc4)cc(O)c3N=C2c2ccccc21 1857538629 NLORAPKYGVUSBN-UHFFFAOYSA-N 356.450 5.577 10 1 FKCF COc1ccc(C(Nc2ccccc2)(c2ccccc2)c2ccccc2)cc1 84742243 TYIAYYYRYRRVQX-UHFFFAOYSA-N 365.476 6.099 10 1 FKCF Oc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Sc2ccccc2N1 87612841 QDYZYVYQIFIQPE-RXVVDRJESA-N 351.446 5.922 10 1 FKCF CCn1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514493 GBJRJFODGLRAID-QFIPXVFZSA-N 359.469 5.555 10 1 FKCF Cc1cc(-c2csc(-c3cccc(F)c3)n2)c(C)n1-c1ccccc1F 587922797 WJHXETPKGBJBNE-UHFFFAOYSA-N 366.436 6.163 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(CCC(C)C)n3)c2C)c1 587924318 RSRDWUMYUKFBLC-UHFFFAOYSA-N 370.587 6.528 10 1 FKCF COc1ccccc1Oc1c(Cl)cccc1-n1c(C)ccc1C(C)C 587941735 RXPXXQSXGGINAC-UHFFFAOYSA-N 355.865 6.363 10 1 FKCF C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1cccc2ccccc12 45316693 DUQXORYAFWHLHU-GOSISDBHSA-N 353.465 6.063 10 1 FKCF C(=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)\c1ccccc1 26941766 PERKXVZYLUAPPN-CCEZHUSRSA-N 372.471 7.302 10 1 FKCF Cc1cccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)c1 1857537295 NPFRFURVDIOCDF-UHFFFAOYSA-N 367.516 5.213 10 1 FKCF Cc1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12 45301109 LFSZZKXGZXVBRK-UHFFFAOYSA-N 351.453 5.832 10 1 FKCF CCc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587277385 VDKRVVXPKJEVQZ-WHSLLNHNSA-N 374.444 5.168 10 1 FKCF CN(C)CCCN(/N=N/c1ccccc1)c1cccc(C(F)(F)F)c1 45316083 LWSFGZMGUMXTFB-GHVJWSGMSA-N 350.388 5.162 10 1 FKCF CO[C@@H]1c2cc(O)c(O)cc2O[C@@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 38494885 YKDSZDGDSDTQSB-YMYKFTITSA-N 360.494 5.179 10 1 FKCF COc1cc(/C=C/c2ccc(NCc3ccccc3O)cc2)cc(OC)c1 96926945 ZXYMZUAQRPMDCR-BQYQJAHWSA-N 361.441 5.192 10 1 FKCF CC[C@H](C(=O)O)c1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1 169322385 RVMAZKUAYXGDAB-SFHVURJKSA-N 370.452 6.018 10 1 FKCF COc1cccc(-c2csc(/N=N/Cc3cccc4ccccc34)n2)c1 169723898 IFNNGSWNMXKSBZ-ZNTNEXAZSA-N 359.454 6.256 10 1 FKCF Cc1ccccc1C(C)(C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587955285 MLYQDJFHPSVCGC-UHFFFAOYSA-N 357.457 5.572 10 1 FKCF CC(C)=CCC/C(C)=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587969483 XZSPXVNSLVCJCY-FYWRMAATSA-N 370.452 5.488 10 1 FKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(OC(F)F)cc4)nc3c2)cc1 587130796 ROXDVJBDMYZBEV-UHFFFAOYSA-N 367.355 5.206 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(C(C)(C)C)n3)c2C)c1 587924057 BAVGGZVGFRDFLR-UHFFFAOYSA-N 356.560 6.237 10 1 FKCF FC(F)(F)Oc1ccc(Nc2c(-c3ccccn3)nc3ccccn23)cc1 2382225819 RKOKXOQCEDONFC-UHFFFAOYSA-N 370.334 5.039 10 1 FKCF CCc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1 212334721 CGCLNNLTACVRFF-UHFFFAOYSA-N 352.441 5.439 10 1 FKCF Cc1cc(C)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587196100 QPGFLGIPFSUCJA-UHFFFAOYSA-N 369.472 6.328 10 1 FKCF COc1c(O)c(O)cc(C)c1C/C=C(\C)CC/C=C(\C)CCC=C(C)C 1911584046 FIGCWERMIWBURQ-OUBUNXTGSA-N 358.522 6.377 10 1 FKCF O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 4131698 NZIKPNVRKKMIOU-SIHNRPMKSA-N 370.452 5.489 10 1 FKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC)c3ccccc13)CC2=O 587470799 LZURRJKREVEMCC-NRFANRHFSA-N 363.457 5.334 10 1 FKCF Oc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Sc2ccccc2N1 87612842 QDYZYVYQIFIQPE-NQIIRXRSSA-N 351.446 5.922 10 1 FKCF Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O 103285093 LUEXRQCSMOTYKM-NRFANRHFSA-N 362.860 5.710 10 1 FKCF Cc1ccc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1F 587146207 DDSZULWCOGTREO-NYYWCZLTSA-N 359.404 5.555 10 1 FKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc3ccccc3c2O)N1 962958762 VACJHNNEANTYPO-FYSMJZIKSA-N 356.469 5.215 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)ncc3[nH]1)N2 587078365 OSGJQLKTHVSAPI-RVPKQNPDSA-N 357.244 5.091 10 1 FKCF CCc1c(C(=O)Nc2cccc3ccccc23)cc(C)n1-c1ccccc1 1772639107 GMVKCYXMQGUCGI-UHFFFAOYSA-N 354.453 5.754 10 1 FKCF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)CNC2=O 2356439761 CADSRKLISUDMAF-UHFFFAOYSA-N 369.505 5.303 10 1 FKCF Cc1cccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587194939 DECUAPOEBBULJR-UHFFFAOYSA-N 355.445 6.020 10 1 FKCF Cc1c(C(=O)O)ccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 3904804 RLKBAZOHUJINDI-LEDOBFOHSA-N 355.437 5.673 10 1 FKCF O=C(O)[C@@H]1CCCN(CCC=Cc2cccc(N=Nc3ccccc3)c2)C1 1857630564 JPHRIPYLXUCDMH-LJQANCHMSA-N 363.461 5.302 10 1 FKCF Oc1ccc(C/N=N/c2nc(-c3ccccc3F)nc3ccccc23)c(O)c1 169689870 BDKQGMJNSVBBLT-WNAAXNPUSA-N 374.375 5.131 10 1 FKCF CC[C@H](C)N(c1ccc(/C=C/c2ccnc3ccccc23)cc1)[C@@H](C)CC 17161647 WNYHPCDURNAWDP-MKIFFDSSSA-N 358.529 6.809 10 1 FKCF Cc1cc(Nc2ccc(N=Nc3ccc(O)c4ncccc34)cc2)nc(C)n1 263609204 UUNGCXMWHCKSED-UHFFFAOYSA-N 370.416 5.506 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586891545 UEXWTASZIWRGDU-HYBUGGRVSA-N 367.452 5.309 10 1 FKCF Cc1ccc2nc(/N=N/Cc3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1 169689213 KSZPWYLWGXZPIL-DARPEHSRSA-N 373.372 5.390 10 1 FKCF Cc1ccc(C(C)C)cc1OCC(=O)N=Nc1c(O)[nH]c2c(C)cccc12 617960147 JBGCMXCQVAKFON-UHFFFAOYSA-N 365.433 5.303 10 1 FKCF C(=C\c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)\c1ccccc1 28011878 PERKXVZYLUAPPN-PFONDFGASA-N 372.471 7.302 10 1 FKCF Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 28528079 JREPMVRKNBXUEM-QHCPKHFHSA-N 364.448 5.901 10 1 FKCF Cc1cc(-c2csc(Cc3ccccc3)n2)c(C)n1-c1ccccc1F 587922322 OJPMGBDWFAMYFB-UHFFFAOYSA-N 362.473 5.948 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3c2)cc1 587115170 GPVQRRHXBHDCEH-UHFFFAOYSA-N 370.334 5.018 10 1 FKCF CCCOc1cccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587778829 QRRZRWDXUDVKLU-UHFFFAOYSA-N 373.456 5.317 10 1 FKCF CCN1C(=CC=C[C@@H]2Sc3ccccc3N2CC)Sc2ccccc21 2356836499 LBDWECYMSVJFII-FQEVSTJZSA-N 366.555 5.975 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc4ncccc4c3[nH]1)N2 587078177 KAILHEOFWLZEAB-QTCYRWPVSA-N 372.859 5.591 10 1 FKCF COc1ccc(O)c(O)c1CC[C@@H]1[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C 26151274 ITCMKMQTHHSCHB-FOMKBEIMSA-N 360.538 5.918 10 1 FKCF Cc1c(C[C@H](N)c2ccccc2)c2cc(F)ccc2n1Cc1ccccc1 1857538453 ZHFNWZKXPYJBOH-QHCPKHFHSA-N 358.460 5.380 10 1 FKCF CCCC1=CC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 2356308712 QGAHKWMTQOQXCQ-UHFFFAOYSA-N 359.219 5.333 10 1 FKCF C/C(=C\C(C)=C1\Sc2ccccc2N1C)[C@H]1Sc2ccccc2N1C 95771724 JUPLQPTXTGGZFU-PVKFDACPSA-N 366.555 5.975 10 1 FKCF COc1c(/C=C2/C(=O)Nc3ccccc32)c2ccccc2n1-c1ccccc1 169310850 VCQOWCWYULRIIB-XDJHFCHBSA-N 366.420 5.132 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccnc(Cl)c3[nH]1)N2 587078585 WQHXDEAROPKFPU-RWSFTLGLSA-N 357.244 5.091 10 1 FKCF Clc1cccc([C@@H](Cc2nc3ccccc3[nH]2)/N=N/c2ccccc2)c1 169692320 YBDIFVKUIDVYTC-RMBMZXQHSA-N 360.848 6.284 10 1 FKCF O=C1c2ccccc2-c2nc(-c3cccc(O)c3)cc(-c3cccc(O)c3)c21 1857632162 BXBRVAHVJZYJKM-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF CN(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 8536349 NKUBZDPTLCVZAC-UHFFFAOYSA-N 358.420 5.011 10 1 FKCF Nc1ccc(Oc2ccc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1 587114296 YPUBJZYZPBWMMB-UHFFFAOYSA-N 369.346 5.623 10 1 FKCF Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c(Cl)c1 13634819 NQIQRNIAYHHQBL-JKSBSHDWSA-N 366.291 6.973 10 1 FKCF Fc1ccccc1C[n+]1cccc(Cn2c3c(c4ccccc42)CCCC3)c1 1857538412 BPHLAOHKWPXJSC-UHFFFAOYSA-N 371.479 5.043 10 1 FKCF O=C(N=Nc1c(O)n(Cc2ccccc2)c2ccccc12)c1ccc(O)cc1 253989105 UKDSFHJOPFEAOG-UHFFFAOYSA-N 371.396 5.025 10 1 FKCF aggregator CCN(CC)c1ccc(/C=C/c2ccc3ccc(OC)cc3[n+]2CC)cc1 4167195 ZINFUAVVCNJLBU-UHFFFAOYSA-N 361.509 5.172 10 3 FKCF CN1/C(=C/C=C/c2oc3ccc(Cl)cc3[n+]2C)Sc2ccccc21 169323894 SDGDFDFVVUIZFP-UHFFFAOYSA-N 355.870 5.007 10 1 FKCF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCCCCC1 587212905 SDPWMHMNLOIFAB-UHFFFAOYSA-N 358.485 5.082 10 1 FKCF CCN(CC)Cc1cccc(Nc2ccnc3cc(Cl)ccc23)c1O 40845232 OHVRPDAHQQMVAD-UHFFFAOYSA-N 355.869 5.179 10 1 FKCF CCC(C)(C)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 586882259 YJNYFMKXNIAIIQ-UHFFFAOYSA-N 371.484 6.292 10 1 FKCF O=C(O)c1cccc2c(-c3ccc(Cl)cc3)c(-c3cccc(F)c3)[nH]c12 587638444 YFHCRAUACMFNGF-UHFFFAOYSA-N 365.791 5.993 10 1 FKCF CN(Cc1ccccc1)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1 36382713 ZOHHUNPGGRFPSQ-UHFFFAOYSA-N 371.529 5.533 10 1 FKCF Cc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2n1 587196303 SHOUZFDOCUDGLU-UHFFFAOYSA-N 356.433 5.415 10 1 FKCF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1OC(=O)C=Cc1ccc(O)c(O)c1 2356630419 PCUAJYJVONNANK-KJXAQDMKSA-N 370.489 5.205 10 1 FKCF Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(N(C)C)cc4)oc3c2)cc1 40429144 ZJXGXQUMSMQMCO-UHFFFAOYSA-N 371.440 5.122 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586882903 CVELYJITIHQJOS-MUXBHBPPSA-N 359.473 5.405 10 1 FKCF CCO[C@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924077 CKOAYHJABLIQHQ-OAHLLOKOSA-N 372.559 6.037 10 1 FKCF CO[C@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924248 OHBWQVBONFDMSC-CQSZACIVSA-N 358.532 5.647 10 1 FKCF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(-n2c(C)ccc2C)cc1 963221286 ABPRHCAHLMQAJB-CJFMBICVSA-N 358.529 5.840 10 1 FKCF Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@@H]3C=CC[C@H]13)OCO2 169302122 YOLTZIVRJAPVPH-BLWXERESSA-N 370.246 5.004 10 1 FKCF COCC1(c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)CCC1 587922084 JUTKNXOXOPRFDL-UHFFFAOYSA-N 370.493 5.425 10 1 FKCF Cc1cc2c(cc1O)/C(=C\c1c(Cl)[nH]c3c1ccc1ccccc13)C(=O)N2 58591434 ZRRKDAKYXZNXFX-RQZCQDPDSA-N 374.827 5.481 10 1 FKCF Fc1cc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2cc1F 212324819 FHHFBVIZRSSIGS-UHFFFAOYSA-N 360.367 5.155 10 1 FKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cnc4ccccc4c3[nH]1)N2 587078050 GDYAIVCDAIPCBR-QTCYRWPVSA-N 372.859 5.591 10 1 FKCF Cc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1 198904529 UMOOPCZGVUTNPA-NRFANRHFSA-N 355.441 5.154 10 3 FKCF O=C(Nc1ccccc1Cl)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 98082457 KQYQIZVVRYINAN-QPLCGJKRSA-N 374.831 6.489 10 1 FKCF O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)[nH]c12 587638431 PVESHTCRINVPNY-UHFFFAOYSA-N 365.791 5.993 10 1 FKCF Cc1cc2c(n1-c1ccc(-c3cccc(F)c3)c(F)c1)CC(C)(C)CC2=O 587945878 SHMNTHBUBJZNRG-UHFFFAOYSA-N 365.423 5.886 10 1 FKCF CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)c(C=O)c(O)c(O)c1O 2356593126 XQTQSUUULVXJPG-UHFFFAOYSA-N 372.505 5.886 10 1 FKCF CC(C)=CCC/C(C)=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587969485 XZSPXVNSLVCJCY-SQFISAMPSA-N 370.452 5.488 10 1 FKCF Oc1ccc(O)c(CNc2ccc(O)c(/C=C\CCc3ccccc3)c2)c1 13491736 MQEHZHNYMFNXGH-UITAMQMPSA-N 361.441 5.062 10 1 FKCF O=C1c2ccccc2-c2nc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c21 1857748925 MCOODOKLGBGUSW-UHFFFAOYSA-N 365.388 5.038 10 1 FKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586891548 UEXWTASZIWRGDU-YKSBVNFPSA-N 367.452 5.309 10 1 FKCF Oc1c(CNc2ccccc2)cc(COCc2ccccc2)c2cccnc12 36380689 ASJYEGKARGMWBX-UHFFFAOYSA-N 370.452 5.269 10 3 FKCF CCN(CC)CCC[C@H](Nc1c2ccccc2nc2ccccc12)C1CC1 29564181 OCMHNIZGOXAYRL-NRFANRHFSA-N 361.533 5.701 10 1 FKCF Cc1cc(C)n2c1CN=C(c1c(F)cccc1F)c1cc(Cl)ccc1-2 34588305 GAEPAOHSOMZPCB-UHFFFAOYSA-N 356.803 5.377 10 1 FKCF CN(C)c1ccc(/C=C/c2c(Br)cnc3ccccc23)cc1 6375036 BODRPOJUVQCCQN-FMIVXFBMSA-N 353.263 5.234 10 1 FKCF CCOc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1C 587778858 VTYMQCSULQVSIR-UHFFFAOYSA-N 359.429 5.312 10 1 FKCF Cc1cc(-c2csc(-c3ccccc3F)n2)c(C)n1-c1ccccc1F 587921960 FJDUDOZEHHHAHX-UHFFFAOYSA-N 366.436 6.163 10 1 FKCF COC(=O)c1cc(O)c(O)c(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@]23C)c1 13431219 NRCWDIHJNWCNBP-LYHRCORUSA-N 372.505 5.226 10 1 FKCF biogenic CC[C@H](C(=O)O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847031 YZYCRCDYZBIVTR-KRWDZBQOSA-N 356.425 5.710 10 1 FKCF Cc1cc(C)n2c1CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 34588303 KVMWFJJYLRXMHG-UHFFFAOYSA-N 355.268 5.752 10 1 FKCF COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 108702843 YDBVCGRHZYULMP-SILNSSARSA-N 353.421 5.167 10 1 FKCF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ccc(N3CCCC3)cc2)cc1 962664862 HWJIOBBMWKNRJQ-RUZDIDTESA-N 354.497 5.189 10 1 FKCF Cc1cc(CNC2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F 1911573142 CESCBFPFYAWTKX-UHFFFAOYSA-N 350.428 5.535 10 1 FKCF CN(C)c1ccc(/C=C/c2ccnc3ccc(-c4ccccc4)cc23)cc1 6375056 ZWRFGIWMSREHLY-DHZHZOJOSA-N 350.465 6.138 10 1 FKCF CCc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587277382 VDKRVVXPKJEVQZ-CKJXQJPGSA-N 374.444 5.168 10 1 FKCF S=C(c1ccc2c(c1)Sc1ccccc1N2)c1c[nH]c2ccccc12 653915972 MQMXSBYPYQUOTL-UHFFFAOYSA-N 358.491 6.142 10 1 FKCF Cc1ccc(C(C)C)cc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cccc12 103969407 JBGCMXCQVAKFON-WCWDXBQESA-N 365.433 5.303 10 1 FKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(CC(C)C)c3ccccc13)O2 587391646 STLXDEJUJRMPLJ-OAQYLSRUSA-N 362.473 5.203 10 1 FKCF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(Cl)cc2)cc1 587637541 CGRNIZLBVGHSQV-UHFFFAOYSA-N 361.828 6.162 10 1 FKCF Clc1ccc2c(c1)/C(=C/CCN1CCCCC1)c1ccccc1S2 33953727 UONFEYAYBJCNHL-CAOOACKPSA-N 355.934 6.112 10 1 FKCF CCC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCN=[N+]=[N-])c3[C@H](C1)C2 45284541 HQUSYPKQXVWTEX-UONOGXRCSA-N 367.884 5.997 10 1 FKCF O=C(O)c1cccc2c(-c3ccccn3)c(-c3ccc(Cl)cc3F)[nH]c12 587637406 IKKRDDDGXDYQRR-UHFFFAOYSA-N 366.779 5.388 10 1 FKCF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(C=O)c(O)c(O)cc21 51768792 NVDJGYXDFMEUPO-JJJFATQHSA-N 356.462 5.638 10 1 FKCF biogenic O=C(c1ccc2c(-c3ccccc3)[nH]nc(-c3ccccc3)c1-2)C(F)(F)F 103521385 DTNBLZCQZBXQBS-UHFFFAOYSA-N 366.342 5.594 10 1 FKCF COc1cccc2c1[C@H](C)C[C@H](C)[C@@H]2c1ccc2c(c1O)[C@H](C)N[C@H](C)C2 2356455674 CTZXUBSXMKUSBO-WEJQGVMSSA-N 365.517 5.271 10 1 FKCF CCN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC 26578586 KANKKQYTIXONRQ-UHFFFAOYSA-N 357.457 5.596 10 1 FKCF Cc1cc(C)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 587277346 UCCHTJJEVLNULQ-VWKPWSFCSA-N 374.444 5.223 10 1 FKCF CC1(C)CCC[C@]2(C)C3=Cc4c(cc(O)c(O)c4Cl)O[C@@]3(C)CC[C@@H]12 137177145 OQPMTQAYYDQSBV-JHVJFLLYSA-N 362.897 5.912 10 1 FKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccco4)n3)c2C)c1 587924361 UMGMCXPWXFZDBN-UHFFFAOYSA-N 366.511 6.200 10 1 FKCF