smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1-c1ccccc1 632983 QKMLQUINIYVPPY-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB Cc1cc(C)n([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)n1 858223 MRYIEECJHRGVFZ-DEOSSOPVSA-N 368.480 5.025 0 40 FKAB COc1cccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)c1 984776 BEKZGXSAFLYQHA-QFIPXVFZSA-N 361.466 5.759 0 40 FKAB CC(=O)Nc1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1 1006921 YEFRMZBDSZDAQT-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB Cc1ccc(-c2csc3ncnc(Oc4ccc5c(c4)OCO5)c23)cc1 1061253 ODSQQEXLZDSYJQ-UHFFFAOYSA-N 362.410 5.188 0 40 FKAB O=[P@@]1(c2ccccc2)OCC2=C(c3ccccc3)CC2=C1c1ccccc1 1572988 OYEHBSHWVGZDLZ-MHZLTWQESA-N 370.388 5.889 0 40 FKAB Cc1cc(C)c2nc(C(F)(F)F)nc(N[C@@H](C)CCc3ccccc3)c2c1 1890982 PEOVYTFSDAQKLN-HNNXBMFYSA-N 373.422 5.699 0 40 FKAB Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12 2077488 GPWUPSSZORXDKI-UHFFFAOYSA-N 370.495 8.149 0 40 FKAB CCCCn1nc(NC(=O)C2CCCCC2)c2cc3cc(C)ccc3nc21 2588254 OHRSLVWIZUYQJZ-UHFFFAOYSA-N 364.493 5.212 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3032620 HIAJCGFYHIANNA-ZKQDMOBOSA-N 374.565 5.427 0 40 FKAB biogenic Cc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655346 LLLISZOSMXOMID-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB C[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110312 YENHYTINCMYKIP-DSYPUSFNSA-N 362.966 6.072 0 40 FKAB CCC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 4130399 LXPLNTYYZYKNAF-UHFFFAOYSA-N 358.850 5.156 0 40 FKAB Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 4199451 BJKRYMSYDSTALD-OAQYLSRUSA-N 367.279 6.349 0 40 FKAB CC1=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H](C(=O)c5ccccc5)CC[C@@H]34)[C@]2(C)CC1 4533021 YKMWBUJFIQUVEI-IBUWKJIZSA-N 362.557 6.838 0 40 FKAB Cc1ccc(C)c(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)c1 4561787 XOICNFYOJZUWBM-UHFFFAOYSA-N 361.363 5.082 0 40 FKAB Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1Cl 4678546 XIXYUNIZAZSUPS-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)/C=C/c2ccccc2)cc1 4860246 OIBOAGVEYAIFRH-DTKKNGCVSA-N 366.464 5.386 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2sccc2n1Cc1ccccc1 4970877 LRZRBTXICAHLTD-HZPDHXFCSA-N 352.503 5.154 0 40 FKAB CC(C)C(CNC(=S)Nc1ccccc1)(c1ccccc1)c1ccccc1 5498894 DMXXTEFURDHRHS-UHFFFAOYSA-N 374.553 5.615 0 40 FKAB COc1ccccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6955394 UPTGDSYDORVVAI-UHFFFAOYSA-N 360.788 5.176 0 40 FKAB Clc1ccc(CSc2nc3ccccc3n2Cc2ccccc2)cc1 7343149 VWAFMWPUHCEMNZ-UHFFFAOYSA-N 364.901 6.030 0 40 FKAB Cc1nc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2nc1C 8061103 GAHOTYMDQZYSDL-UHFFFAOYSA-N 367.452 5.090 0 40 FKAB CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 8087413 KGTCDDGSFDSNOF-DOXZYTNZSA-N 353.849 5.427 0 40 FKAB CCCCc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12563183 PAVYVKOOIGGDID-UHFFFAOYSA-N 369.465 5.269 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3cc(C)ccc3C)cc2)c(C)c1 12569292 LDYWPRRPMWMNIO-UHFFFAOYSA-N 361.510 6.324 0 40 FKAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(c1ccccc1)c1ccccc1 12814393 FUDCQDKNPWJGJG-ZWKOTPCHSA-N 361.407 5.056 0 40 FKAB CCCn1c(SCc2nc3ccccc3o2)nnc1-c1cccc(C)c1 14129237 KGGVUCNVCFRWSV-UHFFFAOYSA-N 364.474 5.097 0 40 FKAB COc1ccc(/C=C\c2cc(/C=C/c3ccc(OC)cc3)c(N)cc2N)cc1 16926279 RXBPXGIEMLRJMB-INWPEIIHSA-N 372.468 5.209 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(Cl)cc1 17315193 OLGIOGQAKIOFOF-OAHLLOKOSA-N 353.897 5.052 0 40 FKAB O[C@H](CNCc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 19872484 ASLRYPGIFKSHGM-GOSISDBHSA-N 362.256 5.077 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 20036439 GSZXMQHDWOVMIE-CQSZACIVSA-N 357.759 5.155 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 20111520 XSCIFEIYUNKASR-HJTPGIPUSA-N 364.272 5.283 0 40 FKAB Cc1cccc2sc(NC(=O)c3csc(-c4ccsc4)n3)nc12 32768240 GCXZPMQBPLVLCC-UHFFFAOYSA-N 357.485 5.042 0 40 FKAB Cc1cc(/C=C/c2nc3ccccc3o2)cc(C)c1OCc1ccccn1 36834874 DTULAJCGNVWXQK-ZHACJKMWSA-N 356.425 5.589 0 40 FKAB CCOP(=O)(OCC)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 38215049 OQLRBFNNEQUJPK-UHFFFAOYSA-N 372.442 5.685 0 40 FKAB COc1ccc(-c2nn3c(Nc4ccc(C)cc4)cc(C)nc3c2C)cc1 40216841 HAPIIXUSSGTBSJ-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 44947441 PPBFPJDTWAAZHI-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB COCCN(Cc1cccc2ccccc12)Cc1cccc2ccccc12 57211698 QEGGHDIYCBEWNP-UHFFFAOYSA-N 355.481 5.642 0 40 FKAB CCn1c(CNC(C)(C)c2ccc(Cl)c(Cl)c2)nc2ccccc21 58166693 JQZMCBBTJLKTLJ-UHFFFAOYSA-N 362.304 5.388 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1Nc1ccccc1 72214166 AVJHRKUFIDSIME-GOSISDBHSA-N 353.466 5.287 0 40 FKAB CC1=Nc2c(cnn2-c2ccccc2Cl)[C@H](c2ccc(O)cc2)S1 79491798 SLMNMJCAYJCHKQ-KRWDZBQOSA-N 355.850 5.117 0 40 FKAB CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 100003870 CFJCNWQXOICKIF-QGFMHUBQSA-N 364.520 7.244 0 40 FKAB CN(C)c1ccc([C@@H]2[C@H](C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 103107276 YEQWUTURGFFZLM-PCCBWWKXSA-N 365.860 5.379 0 40 FKAB COc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2C)cc1 103229437 PBKRGJQLTBTYFA-UHFFFAOYSA-N 357.862 5.199 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H]5[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 118936710 JTSBNWGLFUOUIT-UMNRCOCRSA-N 364.476 5.372 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)c(C)c1 222856653 GAOJTIATAXJMGH-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223247259 BSMJZGUEGQENFN-BTYIYWSLSA-N 371.908 5.172 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COC(C)C 224716151 DDJVTWNGGGKBMX-UHFFFAOYSA-N 361.869 5.224 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1)[C@H]2O 253498560 LZOCUXGUHLCYSF-FKLXPMKRSA-N 364.573 6.474 0 40 FKAB biogenic CCn1c2ccccc2c2cc(NC(=O)CSCc3ccccc3)ccc21 408575721 PUYDEIWCMVBSOZ-UHFFFAOYSA-N 374.509 5.686 0 40 FKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nccs1 408621959 NSGYKZABEYJVBJ-DUXPYHPUSA-N 365.241 5.362 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 409116149 UELDZVHFUSIWMB-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(OC)cc1 944204 MSKXJAZTISVYJN-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB COc1ccc(N[C@@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)cc1 1298072 OGCCLCVQPODCDS-DEOSSOPVSA-N 372.468 5.695 0 40 FKAB CCN(C(=O)c1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356400 LCZPOWRSZIVEBR-UHFFFAOYSA-N 371.531 5.231 0 40 FKAB CCCc1cc(=O)oc2cc(OCc3ccc(C(C)(C)C)cc3)ccc12 1893435 GIKVOPLBRBEMCC-UHFFFAOYSA-N 350.458 5.622 0 40 FKAB COc1ccccc1[C@@]1(CCN[C@@H](C)c2ccccc2)CCOC(C)(C)C1 2151566 KPEPVCCCQXCJGC-CYFREDJKSA-N 367.533 5.263 0 40 FKAB biogenic Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 3082029 RQWVLTNMVRWNMS-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 3109497 XJTKOBQPYHPDNE-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB CSc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 4251158 LGQSWGHOGPCNGK-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB Clc1ccc(-c2csc3ncnc(Nc4cccc(Cl)c4)c23)cc1 4679823 FLLHHAFEOFADDI-UHFFFAOYSA-N 372.280 6.409 0 40 FKAB CCCCN(C(=O)c1ccccc1C)c1nnc(-c2ccccc2C)s1 4982400 HMPDGBDBZDCNIS-UHFFFAOYSA-N 365.502 5.269 0 40 FKAB CC(=O)NCC[C@@H]1[C@H](c2c(C)n(Cc3ccccc3)c3ccccc23)C1(C)C 5484745 RHNGAHSUYWFDQN-ZJSXRUAMSA-N 374.528 5.264 0 40 FKAB CC(C)CC[C@]1(CCNCc2ccc(Cl)cc2)CCOC(C)(C)C1 5518153 IITNGOXQLLLQSD-NRFANRHFSA-N 351.962 5.831 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 6053033 GGKHGWPPNMZYDE-GOSISDBHSA-N 367.448 5.913 0 40 FKAB O=C1c2ccccc2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 6341562 MASYXTPYXFJUMT-UHFFFAOYSA-N 365.841 5.292 0 40 FKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1 8254604 QTHBCJITXTWTFC-UHFFFAOYSA-N 369.549 5.969 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 8913991 OGAXVLDYMRJGOH-UHFFFAOYSA-N 371.893 5.408 0 40 FKAB CCCCCc1cc2c(c(O)c1C(=O)O)C=C[C@](C)(CCC=C(C)C)O2 13382957 HRHJHXJQMNWQTF-QFIPXVFZSA-N 358.478 5.734 0 40 FKAB biogenic,in-vitro C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1cc2ccccc2o1 15378282 WZHFCROVBFUCIJ-CYBMUJFWSA-N 359.878 5.197 0 40 FKAB CCCCNC(=O)c1c(-c2ccc(Cl)cc2)c2cc(CC)ccc2n1C 19894356 AIEFATDLRBMBGV-UHFFFAOYSA-N 368.908 5.591 0 40 FKAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(-c3ccccc3)cc1)NCC2 20506930 ZECGBUYROKQBIO-VWLOTQADSA-N 373.496 5.386 0 40 FKAB Cc1ccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)cc1 22053835 OQFCDRCKKGCAAG-UHFFFAOYSA-N 355.800 5.178 0 40 FKAB CCCCc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1 27586196 OCAHWBIALHIXFU-UHFFFAOYSA-N 370.500 6.099 0 40 FKAB CC1(C)C[C@@H](NCC[C@@](C)(c2cccc(C(F)(F)F)c2)C2CC2)CCO1 32087948 MXIQFLMWRRVXLL-AZUAARDMSA-N 369.471 5.310 0 40 FKAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2csc(-c3cccs3)n2)c1 32843949 DHDBDHVCKVKAQW-UHFFFAOYSA-N 372.515 5.056 0 40 FKAB Cc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)c(C)c1 36716569 IDLKHTUPUCSYDZ-UHFFFAOYSA-N 358.869 5.845 0 40 FKAB C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(F)cc1 38753064 NQVGADJMHFWEHH-MRXNPFEDSA-N 365.473 5.609 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(C)c1 38856139 YNPFIVIYFQHHRV-INIZCTEOSA-N 350.506 5.096 0 40 FKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 44899935 RZZNKPOKVJLIGZ-UHFFFAOYSA-N 363.501 5.734 0 40 FKAB C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc21 58368849 NJGGWTWZGZJFIG-HNNXBMFYSA-N 365.404 5.152 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 85345313 HZYYKIHATKUBOE-UHFFFAOYSA-N 353.219 5.561 0 40 FKAB CCOc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(C)cc1)=N2 100251164 DSIJIWPKYALVPW-UHFFFAOYSA-N 369.468 5.136 0 40 FKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCc2sccc2[C@H]1c1ccccc1 104804753 IRVYYJQZXYIVKJ-CTWQGKMFSA-N 351.515 5.049 0 40 FKAB CC[C@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(C)cc1C 219865569 RAHOARYKPBCMFW-QHCPKHFHSA-N 364.533 5.096 0 40 FKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1 224093306 YJLGJWCTNSYDPS-UHFFFAOYSA-N 367.489 5.117 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c3c(cccc13)CC2 224472766 PLBRBODMPAVNEZ-OAQYLSRUSA-N 359.469 5.351 0 40 FKAB CCC1(CC)C[C@@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2O1 225457231 CGBYDSPRQNNDSX-QGZVFWFLSA-N 358.482 5.195 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225546344 UBKUQIPDKGRERM-UHFFFAOYSA-N 355.453 5.292 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1Cl 225852851 ZJBMIYCFSVUMLL-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB Cc1ccc(C(=O)n2c3c(c4cc(Br)ccc42)CCCC3)cc1 227158351 VVMDCAMLILVQET-UHFFFAOYSA-N 368.274 5.280 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 408677374 DDYFAUAJFRFWBZ-INIZCTEOSA-N 371.786 5.463 0 40 FKAB Clc1cc(Br)cc(-n2c3ccccc3c3ccccc32)c1 725239891 BJWISAZIWBYQRE-UHFFFAOYSA-N 356.650 6.200 0 40 FKAB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)C1CCCCC1 1453227 HFVXCGNOSWQBHU-UHFFFAOYSA-N 369.317 5.560 0 40 FKAB Clc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)c1 1672430 UWGCTYZENHHSID-UHFFFAOYSA-N 352.044 5.758 0 40 FKAB CCCCOc1ccc(C(=O)NCCOc2cc(C)ccc2C(C)C)cc1 2176430 IJOPBUILXUQZOF-UHFFFAOYSA-N 369.505 5.106 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 2593473 JRLQRLNLGQLLCZ-FQEVSTJZSA-N 361.422 6.149 0 40 FKAB Clc1ccc(Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2669476 SDFDBIMHUPRLNX-UHFFFAOYSA-N 369.704 6.438 0 40 FKAB O=C(NC1CCCCCCC1)c1cccc(COc2ccccc2Cl)c1 2759017 UAFMWFSZXJIPDV-UHFFFAOYSA-N 371.908 5.762 0 40 FKAB CCn1c2ccccc2c2cc(-n3c(=S)[nH]c4ccccc4c3=O)ccc21 4864447 AKGVUCMGUYQKFH-UHFFFAOYSA-N 371.465 5.176 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5383302 XYGMEFJSKQEBTO-WNVSVPKVSA-N 364.913 5.017 0 40 FKAB CC(C)(C)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 6543472 JHNVGQZZDMJAEO-UHFFFAOYSA-N 359.469 5.378 0 40 FKAB CCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3C)n2)cc1 6569706 ZGNCDEDYROEVKH-UHFFFAOYSA-N 351.475 5.601 0 40 FKAB COc1ccc(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 7538630 NELSYDFGAUVVGE-UHFFFAOYSA-N 362.256 5.552 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 7699476 VFBVQJWEOJQQCS-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB FC(F)Oc1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1 12739707 QUQFZZKIRRTBCE-UHFFFAOYSA-N 350.752 5.209 0 40 FKAB CN(C(=O)c1ccccc1F)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835603 ZVZOTNZGFIERAU-FQEVSTJZSA-N 364.445 5.230 0 40 FKAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C(C)C)nc2onc(C)c12 19714753 ZCOYSBNNJQWGPA-GOSISDBHSA-N 369.440 5.017 0 40 FKAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(C(F)(F)F)cc1 19927069 NFZJFMINTAKGID-OAHLLOKOSA-N 357.784 5.137 0 40 FKAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1 20100672 JZCWFEQFCIJBLR-UHFFFAOYSA-N 358.466 5.202 0 40 FKAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C(C)C)cc1 22072977 KBLRMPVZSOMXSM-UHFFFAOYSA-N 361.445 5.210 0 40 FKAB O=C(Nc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccccc1 40002653 KIJKQCRQRKSPJI-LJQANCHMSA-N 352.434 5.067 0 40 FKAB Nc1cccc(-c2nc3ccccc3n2-c2ccc(Br)cc2)c1 73740005 KMWGNSDQRWEUMD-UHFFFAOYSA-N 364.246 5.037 0 40 FKAB CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 80344280 LLAYMJPUPQJSLM-IAGOWNOFSA-N 350.245 5.134 0 40 FKAB Cc1ccc(N[C@@H](CSc2ccc(C)c(C)c2C)C(=O)O)c(C)c1C 95093050 XFSQICKORDODRV-IBGZPJMESA-N 357.519 5.195 0 40 FKAB in-vitro COc1ccc([C@H](C)N[C@H](C)c2c(F)cccc2F)cc1Br 97393785 OAHQBBSTRVPNLM-WDEREUQCSA-N 370.237 5.148 0 40 FKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccco3)[C@@H]1[C@@H]2C 105365956 YMIQZMUWJPTDGH-VNTSLDCZSA-N 366.457 5.043 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 107887526 OVQMGCPAFWCADB-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2O1 223849856 DYQHRSYZPZJMGM-JKIKYLSZSA-N 369.892 5.552 0 40 FKAB O=C(Cc1ccccc1Cl)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225434300 TUPFVHYIWZVZGD-LJQANCHMSA-N 369.892 5.225 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225810156 TYRPLQIRYDXXHS-QZMQVMSPSA-N 369.505 5.551 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225845422 GDCBXQDDQBXZKJ-QGZVFWFLSA-N 361.404 5.028 0 40 FKAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc4ccccc34)oc12 226269475 GUTGKVZGAYGAHA-UHFFFAOYSA-N 370.330 5.457 0 40 FKAB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(C)c1 408620819 KFMDVSLDBRNJSX-UHFFFAOYSA-N 368.889 5.237 0 40 FKAB O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(Cl)c1 409392222 OCUHXXYIPAFVQR-UHFFFAOYSA-N 367.861 5.100 0 40 FKAB COc1ccccc1NC(=S)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 854343 NHTSXPOPSLSSJY-UHFFFAOYSA-N 371.546 5.783 0 40 FKAB biogenic Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 945322 RPDFQXXYWXBHMQ-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB O=C(Nc1ccc(Br)cc1)N(c1ccccc1)c1ccccc1 947967 OZDIGTYUZUXOMI-UHFFFAOYSA-N 367.246 5.819 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC(C)C)cc1 949555 DRGUDVIXLLYMGR-UHFFFAOYSA-N 364.445 5.251 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 995369 QQBUHLDJOJCUAB-UHFFFAOYSA-N 352.437 5.717 0 40 FKAB Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)cc1C 2126533 HMHQAAWZYJIUFQ-LKUDQCMESA-N 369.420 5.678 0 40 FKAB biogenic Cc1ccc(C2=C[C@@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1 2917792 MMGOYGKUCMECEZ-QHCPKHFHSA-N 351.453 5.709 0 40 FKAB aggregator Cc1ccc(Sc2cc(CSc3ccc(Cl)cc3)nc(C)n2)cc1 3105876 MNJSIIFXYOFQDR-UHFFFAOYSA-N 372.946 6.190 0 40 FKAB O=P1(NC[C@@H]2CCCO2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205504 WXLCTURUSKDZSZ-IBGZPJMESA-N 367.385 5.061 0 40 FKAB O=C(OCc1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 3275277 WDEUILVBSNXIIV-UHFFFAOYSA-N 359.450 5.172 0 40 FKAB O=C(NC1CCCCCC1)c1cccnc1Sc1ccc(Cl)cc1 3425107 OTKVTVUCHQOLLI-UHFFFAOYSA-N 360.910 5.339 0 40 FKAB CC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)nc1-c1ccccc1 4070144 BMTCWBOTXSAFKD-UHFFFAOYSA-N 372.449 5.418 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4070761 KAASKSVTHCKDCH-URUNWYKUSA-N 373.518 6.008 0 40 FKAB O=C(c1ccco1)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1 5299686 QQCABTKUTQJXIW-UHFFFAOYSA-N 368.845 5.390 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 6202956 YBGBPNOSTVKJSZ-KPZWWZAWSA-N 372.509 5.857 0 40 FKAB C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1cc2ccccc2o1 8189039 JNOYQXAOWARPKM-HNNXBMFYSA-N 361.397 5.096 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 9064410 NCFRYOLMULYKJC-ZDUSSCGKSA-N 363.288 5.625 0 40 FKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1C 9141152 WJIRCTGWAVXAJD-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB COc1ccc(-c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)cc1 9261184 XZFDNTZFQMMMRO-UHFFFAOYSA-N 369.346 5.091 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 9660049 LAGLHMHKFDVLAU-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(NC(C)(C)C)c1ccccc1 12437303 DAJGFDWVRFTHOQ-SYSFZUQMSA-N 351.471 5.371 0 40 FKAB O=C(Nc1cc(F)ccc1F)c1sc2cccc(Cl)c2c1Cl 12921225 AQIYLRWCNZLUDK-UHFFFAOYSA-N 358.196 5.739 0 40 FKAB O=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CCc1ccccc1-2 13972898 IGQKBXLVZWLDNQ-UHFFFAOYSA-N 370.477 5.243 0 40 FKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(O)oc2ccccc2c1=O 17220071 PRSOPHSUKXJKIM-PCCVJEDISA-N 366.501 6.460 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cccc(Cl)c1Cl 20018168 BQXQFGDCKPULHI-KRWDZBQOSA-N 362.281 5.574 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 20110232 BKJWTHVCDXVGFX-OAHLLOKOSA-N 374.720 6.156 0 40 FKAB COc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccc(C)cc3)c12 21017316 QRXDLZGSEJHYHU-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB Cc1cc2oc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c2cc1C 28287322 YMSIWPODPKEMCH-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB c1csc(CN(Cc2nc(-c3cccs3)no2)Cc2cccs2)c1 32759644 XMHYKKLEFVBERL-UHFFFAOYSA-N 373.528 5.124 0 40 FKAB COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OC 35018453 YLWGHIQTNKOBKS-UHFFFAOYSA-N 370.674 5.040 0 40 FKAB O=C(Nc1cccc2ccccc12)c1cc(C2CC2)nc2onc(C3CC3)c12 36617431 VVLOYLKITZOGQF-UHFFFAOYSA-N 369.424 5.383 0 40 FKAB CC(C)(C)[C@H](NC(=O)Nc1ccccn1)c1cccc(C(F)(F)F)c1 58300479 XETITFUORDMXRU-OAHLLOKOSA-N 351.372 5.009 0 40 FKAB CCc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 98073277 OALMMXKHGXUBOX-QGZVFWFLSA-N 357.453 5.222 0 40 FKAB O=C1[C@H]2CC[C@@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101464078 COXAAIGTNDLOER-KBMXLJTQSA-N 374.267 5.067 0 40 FKAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)CCCC2 222905625 RXSOHVACKZFZMJ-DLBZAZTESA-N 353.531 5.065 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 225592563 JFMAWOZMKRJORE-KRWDZBQOSA-N 358.869 5.544 0 40 FKAB Fc1ccccc1NC(=S)NCCCSCc1ccccc1Cl 225606373 ABTMHELHDYGZQC-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB Cc1ccnc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225769635 CRUVRYUOMJVBDE-OAQYLSRUSA-N 361.514 5.083 0 40 FKAB O=C(ON=C/C=C(\Cl)c1ccc(Cl)cc1)c1ccc(Cl)cc1 257351104 CCJZSNDUCRJVMO-ZILQHULQSA-N 354.620 5.416 0 40 FKAB Cc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(C)c1 408908102 TXJKZIQPNWPWHZ-HMMYKYKNSA-N 361.872 6.136 0 40 FKAB Cc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 409094304 DBVIXDHOBZKDAF-UHFFFAOYSA-N 371.509 5.578 0 40 FKAB CCCOc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1C 409114141 CPKUTZJWTVOIHQ-UHFFFAOYSA-N 358.696 6.356 0 40 FKAB CCc1cc(C(=O)Nc2ccc(C(C)C)c(C)c2)sc1-c1ccccc1 526052534 YBMKNBPDWJCOLD-UHFFFAOYSA-N 363.526 6.662 0 40 FKAB CCCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1 726977546 WIERNKSMXBMTIM-UHFFFAOYSA-N 372.881 5.341 0 40 FKAB Cc1ccc2cc(S(=O)(=O)Oc3ccc(C(C)C)c(C)c3)ccc2c1 1889217647 CYBSXMCLOQJIQJ-UHFFFAOYSA-N 354.471 5.348 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 679123 DHPOHCWPYLBODR-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 858878 WMWDJJOLHPEXGF-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 892231 QBNVQVXOLDVQHF-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB Cc1cc(-c2ccccc2)c2c(N)c(C(=O)Nc3ccccc3C)sc2n1 938273 MJBKFXVBBDUTLX-UHFFFAOYSA-N 373.481 5.415 0 40 FKAB CC(C)c1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1411896 SDLADHUJGNOIBV-JOCHJYFZSA-N 374.509 5.154 0 40 FKAB FC(F)(F)c1cccc(Oc2ncnc3sc4c(c23)CCCCC4)c1 1895272 RWHRLWSYHZPVSQ-UHFFFAOYSA-N 364.392 5.771 0 40 FKAB O=C(CCc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 2516735 OKYBBKLLEVXDJX-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 2520636 SLYVJKWIKHCMSX-UHFFFAOYSA-N 352.886 6.372 0 40 FKAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1 3060954 CEBFJPBOROCJKF-DEOSSOPVSA-N 369.508 5.865 0 40 FKAB Cc1ccc(Sc2snnc2-c2ccc(Cl)cc2Cl)cc1 3118894 BEPSQCLVXFHIKJ-UHFFFAOYSA-N 353.299 5.972 0 40 FKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1 3909373 NAUJWFFTWNDQPA-LLVKDONJSA-N 366.383 5.097 0 40 FKAB Clc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccccc2)cc1 4171388 OGPTVBDNOZNHIF-NTCAYCPXSA-N 374.871 5.939 0 40 FKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1 5021706 BWSOLFCCLXKFEE-UHFFFAOYSA-N 356.816 5.289 0 40 FKAB O=c1oc2ccccc2c2c1[C@@H](c1ccccc1)C=C(c1ccccc1)O2 5181032 KJTMYOPCEJVZFO-LJQANCHMSA-N 352.389 5.358 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 5418222 BLQQANOVYWBZAO-VLCRHTCISA-N 360.538 6.263 0 40 FKAB COc1ccc(NC2=NC(=O)S/C2=C\C(C)=C\c2ccccc2)cc1 5807850 XEWBHYLBKSSNSK-COVZNBLNSA-N 350.443 5.360 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cccc(OCC)c3)sc2c1 6398139 CJIXZBDQWPRVLU-UHFFFAOYSA-N 354.475 5.290 0 40 FKAB Clc1cc(Cl)cc(-c2ccc(CNCc3ccccc3Cl)o2)c1 7524693 LKUGMOGRQDTMPC-UHFFFAOYSA-N 366.675 6.197 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1 8477830 BLSSVJRJIXCBJF-LLVKDONJSA-N 372.679 5.670 0 40 FKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCC[C@@H](C)C1 8572553 GRLPCGKDEINVJF-MRXNPFEDSA-N 362.473 5.273 0 40 FKAB C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1cc2ccccc2o1 12763967 MEZJGDVWGBOQSX-OAHLLOKOSA-N 366.424 5.611 0 40 FKAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCCCCC1 12822971 RQHZOHVCOZTOSB-UHFFFAOYSA-N 352.459 5.086 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 30865090 LATXOPQUEFSCAW-SJKOYZFVSA-N 351.874 5.227 0 40 FKAB c1ccc2cc3c(ccc4[nH]c5ccc6cc7ccccc7cc6c5c43)cc2c1 32289613 KDUULFYEZKATGP-UHFFFAOYSA-N 367.451 7.934 0 40 FKAB COc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cccc(C)n12 35616367 LRXFKXDKOGKOEC-UHFFFAOYSA-N 372.472 5.128 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)c(Cl)c1 44903337 LRLOMNGJMAPPIW-INIZCTEOSA-N 352.261 5.406 0 40 FKAB CC[C@@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)c1ccccc1 206897181 SZXCGKYXIDUMRC-GOSISDBHSA-N 355.441 5.134 0 40 FKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C(C)C)cc3)N21 222642078 AHMJIWIHTRRBKG-YSIASYRMSA-N 351.519 5.184 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222817261 IUNBWPPSPYPGFH-SFHVURJKSA-N 361.485 5.355 0 40 FKAB O=C(NCc1cccc2ccccc12)c1ccccc1CCc1ccccc1 222865048 WKKJIDYANANDDP-UHFFFAOYSA-N 365.476 5.555 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(F)(F)F)c1 222945810 FHDSTZCZZUNFTK-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1Cl 224118191 QZANDNQJXDBZMR-XYOKQWHBSA-N 371.908 5.154 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)CCCSc1ccc(Cl)cc1 225652001 IEPIEQDPXCDBDY-UHFFFAOYSA-N 361.938 5.350 0 40 FKAB CCCCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225865434 YQMIFBJBSABSRL-UHFFFAOYSA-N 366.505 5.410 0 40 FKAB CC/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253617484 PCFLWNUQAQQXOU-IWGBQXNPSA-N 358.566 6.297 0 40 FKAB C1=C[C@@H]2[C@H](C=C1)[C@@H]1C=CC=C[C@@H]1[C@H]2CC[C@H]1[C@@H]2C=CC=C[C@@H]2[C@@H]2C=CC=C[C@H]12 299888297 DMENCZPZLSKLMQ-DMCRMSAJSA-N 366.548 6.460 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1ccccc1)c1ccccc1 408576478 VWWDCIAGFSTFGO-OEAKJJBVSA-N 357.497 5.312 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Br)cc2)cc1 408628839 DFFBWUURVQLWNI-AWEZNQCLSA-N 373.294 5.080 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408680611 OCGWXPGFHDPJEV-UHFFFAOYSA-N 368.658 5.142 0 40 FKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)c2ccccc21 409114615 KNPBFISLQPYKGK-QNGOZBTKSA-N 373.427 5.312 0 40 FKAB CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 575624874 CRRKVZVYZQXICQ-XCXHLKQJSA-N 358.522 5.086 0 40 FKAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc2c1 907296 SNDCXWJOVNKCCF-UHFFFAOYSA-N 367.861 5.246 0 40 FKAB Cc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C 924385 XPUISAXLRCUQOI-UHFFFAOYSA-N 350.487 5.199 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cc(C)ccc1OC 953632 PYMRQIACQSLHEV-UHFFFAOYSA-N 364.445 5.089 0 40 FKAB CCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3c2)c1C 1018237 QOPILPAAQBTHNX-UHFFFAOYSA-N 355.441 5.149 0 40 FKAB Clc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1 1248167 VESFWAGWNVSCRM-UHFFFAOYSA-N 352.850 5.019 0 40 FKAB CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 2074613 DEDJGEXLHDKFRX-UHFFFAOYSA-N 367.496 5.958 0 40 FKAB CCCN(CCC)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2092997 MGUAIFBFOMRXAY-UHFFFAOYSA-N 366.892 5.817 0 40 FKAB CCCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc1=O 2151412 DTIUWERITWOGHP-UHFFFAOYSA-N 352.817 6.121 0 40 FKAB biogenic Fc1ccc(C2=CC(Cl)=C(c3cccs3)Oc3ccccc32)cc1 2330381 ADUGXPJQGDLAKA-UHFFFAOYSA-N 354.833 6.319 0 40 FKAB Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1 3063469 ODGMNIWCYMMMBK-UHFFFAOYSA-N 370.239 5.034 0 40 FKAB CCCCOc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 3067892 RJSYXNLPYSGFLS-UHFFFAOYSA-N 351.490 6.166 0 40 FKAB O=C(Nc1nc2ccc(Br)cc2s1)c1cc2ccccc2o1 3408049 AUCKAJRQRWSAEW-UHFFFAOYSA-N 373.231 5.057 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1Oc1ccccc1 4070092 LKOOVQKRQCJSFA-UHFFFAOYSA-N 369.420 5.893 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 6284736 ZAOCKKLHTDNSIW-UHFFFAOYSA-N 374.720 5.445 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1)c1ccccc1 6594148 LMKLSWJOWGUQDO-QGOAFFKASA-N 368.263 6.173 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCCC2)c(C(C)C)c1 6616923 BFIZWIDEROGSNR-UHFFFAOYSA-N 351.556 5.278 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 6845811 ONRKHCIZOWAJBZ-UHFFFAOYSA-N 361.510 6.156 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 9064446 JKEXPGMSEBTSCG-ZDUSSCGKSA-N 363.288 5.625 0 40 FKAB c1ccc(CSc2nnc(C[C@@H](c3ccccc3)c3ccco3)o2)cc1 12408149 HXYYACVOBHZITP-SFHVURJKSA-N 362.454 5.330 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccccc3OC)c3ccccc3o2)cc1 12861386 AHAXQURLMNPFTJ-HIXSDJFHSA-N 357.409 5.349 0 40 FKAB biogenic c1cc2c(cc1Nc1nc(C34CC5CC(CC(C5)C3)C4)cs1)OCCO2 16046625 UUZBBXVWNQURAJ-UHFFFAOYSA-N 368.502 5.126 0 40 FKAB Cc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1C 20494061 IGCSBFNARKAPOX-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)CCc1ccccc1 20494355 UUUMTEFDDDQQFX-XMSQKQJNSA-N 361.485 5.135 0 40 FKAB COc1ccc(C(C)=O)cc1CSCc1csc(-c2ccco2)n1 31420586 GHQXXHNTWKOQKH-UHFFFAOYSA-N 359.472 5.048 0 40 FKAB Cc1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1 38651604 WVHPECOLFLREOF-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB Cc1ccccc1-c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)[nH]n1 46914401 ZSLNVHTZMHXQRV-UHFFFAOYSA-N 370.334 5.121 0 40 FKAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1cccc(Cl)c1 57992388 KSVGXKKLMGEBGR-KRWDZBQOSA-N 368.889 5.441 0 40 FKAB CCOc1ccc(OCC)c(NC(=S)Nc2cccc(Cl)c2C)c1 71761773 BOHWINYJJTWASK-UHFFFAOYSA-N 364.898 5.255 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC(C)C 72214742 GADIMLFFPZYYPJ-GOSISDBHSA-N 361.530 5.026 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80345009 UDQZCNMIBXOOCA-LSDHHAIUSA-N 374.189 5.754 0 40 FKAB O=C(Nc1ccccc1OC(F)(F)F)c1cccc(Oc2ccccn2)c1 96122627 NOFLEKMGRNFAQE-UHFFFAOYSA-N 374.318 5.025 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1[C@@H]3CC[C@H](C3)[C@@H]21 102027788 HLZNOJRSHYTLRA-JTYUIPPMSA-N 353.849 5.335 0 40 FKAB CC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118929294 KYOSVBVRSIAGAV-LDZVTSBZSA-N 360.538 5.166 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(OC(F)(F)F)c2)c1 199719890 WIBGAZMCDQJRIZ-UHFFFAOYSA-N 368.355 5.362 0 40 FKAB O=C(Nc1ccccc1Cl)N1CCS[C@H](c2cccs2)CC1 219532932 OXEUPNQXJMJBLY-HNNXBMFYSA-N 352.912 5.114 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2)c1ccccc1C 224365698 PCNSWPBFQQEOOV-XZOQPEGZSA-N 365.517 5.299 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc2c(ccc3ccccc32)o1 225275758 FWEICLYODWGHGQ-UHFFFAOYSA-N 369.342 5.535 0 40 FKAB Fc1ccccc1CSCCCNC(=S)Nc1ccccc1Cl 225611504 VGCQYZJDFXLPDM-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225748353 KDAIOKUPFIDGDL-IBGZPJMESA-N 355.906 5.443 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)cc1 225933472 FEHJKKUCDIVTMK-UHFFFAOYSA-N 371.480 5.069 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)ccc2oc1=O 226041452 LDYKLVDZZWTCSV-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB O=C(CCc1cccc(Cl)c1)NCc1nc(C2CCCCC2)cs1 390830404 KWJOGXNUAJFHRR-UHFFFAOYSA-N 362.926 5.093 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 408681842 ZSXTXURBCDQXEY-HNNXBMFYSA-N 357.759 5.155 0 40 FKAB Cc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1C 409107123 VDXNFYDCKXBVDD-UHFFFAOYSA-N 358.470 5.097 0 40 FKAB C[C@H](CCc1c(C(=O)O)[nH]c2ccccc12)Oc1cccc2ccccc12 2037875156 KLPYDSNASKSORV-OAHLLOKOSA-N 359.425 5.419 0 40 FKAB C[C@H]([C@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C 1758882 AWQGSQRZGAHTHE-OSPHWJPCSA-N 371.480 5.034 0 40 FKAB C=Cc1ccc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 2145804 JDSVTPCKDYHSAD-UHFFFAOYSA-N 368.432 5.990 0 40 FKAB biogenic CCCCn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2321502 SOWZRNTULSFMFV-UHFFFAOYSA-N 354.519 5.131 0 40 FKAB CCc1nc(SCC(=O)c2ccc(C)cc2)c2oc3ccccc3c2n1 2450584 IAXFDSOZWRRJNT-UHFFFAOYSA-N 362.454 5.222 0 40 FKAB CCc1ccc(NC(=O)CSCCOc2ccc(C(C)C)c(C)c2)cc1 2655079 PETPELHLFADJRM-UHFFFAOYSA-N 371.546 5.432 0 40 FKAB Cc1cc(C)c(C)c(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)c1 2886957 ZZPMEUAUUGMTQL-UHFFFAOYSA-N 366.413 5.072 0 40 FKAB COC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 3012209 QFEQLCSJTUSOJB-UHFFFAOYSA-N 367.489 5.321 0 40 FKAB Cc1ccc(-c2csc(Nc3c(C(C)C)cccc3C(C)C)n2)cc1 3324635 HPBDBFSLDOJADS-UHFFFAOYSA-N 350.531 7.109 0 40 FKAB CC1=CCc2c(c3ccccc3c(=O)n2Cc2ccccc2)-c2oc(C)cc21 4029462 FHFLKMYWZYLXNP-UHFFFAOYSA-N 367.448 5.578 0 40 FKAB biogenic C[C@]12O[C@@H](c3ccccc3)[C@](C)(C1=O)C(c1ccccc1)=C2c1ccccc1 4976480 KOFXUASYYBAGTQ-SKBVVQJISA-N 366.460 5.717 0 40 FKAB CCCCCC(=O)N[C@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 5250121 PTJRKHXFOVBDGR-HNNXBMFYSA-N 365.732 5.108 0 40 FKAB COc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 6368949 KEUJARIGTJDGBD-NRFANRHFSA-N 365.860 5.775 0 40 FKAB Fc1ccc([C@H](CCN2Cc3ccccc3C2)c2ccc(Cl)cc2)cc1 6670326 KUEDFDMOVZBOME-HSZRJFAPSA-N 365.879 6.017 0 40 FKAB FC(F)(F)c1cccc(NCc2n[nH]c(=S)n2C2CCCCC2)c1 6847808 FXZFKGDBRDZYRV-UHFFFAOYSA-N 356.417 5.077 0 40 FKAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@H]1CCCc2ccccc21 12923326 MIJJDYYETOIXKV-PZJWPPBQSA-N 365.473 5.213 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OCc1ccccc1 13687280 OPXATGGREOFKHG-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN12 17118374 PXWPTMQPXMKXRK-QPPBQGQZSA-N 370.452 5.246 0 40 FKAB CCc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 17198185 XGLRTFOYVXLCDT-QGZVFWFLSA-N 351.393 5.046 0 40 FKAB Cc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 20042566 VTICZPUMSDGLAY-RUZDIDTESA-N 373.496 5.368 0 40 FKAB CCc1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1 27749108 GVAAEIJZKATTKO-UHFFFAOYSA-N 350.849 5.144 0 40 FKAB Cc1ccc(-c2nc(C)c(C(=O)N3CCCSc4ccccc43)s2)o1 33157907 RYMQWAXTOAPJLN-UHFFFAOYSA-N 370.499 5.163 0 40 FKAB COc1ccc(-c2nc3ccc(NC(=O)CCc4ccccc4)cc3o2)cc1 41086047 WFOXCLDMQZLJQN-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB C=Cc1ccc(CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 45925353 PXHIOFWQWZYRHT-UHFFFAOYSA-N 371.509 5.948 0 40 FKAB Cc1sc(CNc2nc3ccccc3o2)nc1-c1ccc(Cl)cc1 65587045 ZYNIYBVPNAROCW-UHFFFAOYSA-N 355.850 5.525 0 40 FKAB Fc1ccc([C@H]2C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1 101218749 QNLCNRIJDAJCIB-CTNGQTDRSA-N 361.395 5.461 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COCC(C)C 224448827 IXTMBQSVIVHJFG-UHFFFAOYSA-N 361.869 5.082 0 40 FKAB O=C(Cc1ccccc1F)Nc1ccc(CSc2ccccc2)cc1 225444829 PTCASHJDOCMXHE-UHFFFAOYSA-N 351.446 5.299 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225514982 YJTQYDDVYSJVAN-UHFFFAOYSA-N 355.453 5.455 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225652837 WMTHWYZHMGEMIF-GCJKJVERSA-N 363.542 5.876 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c2ccccc12 225830311 CONFPFJXLNWOCC-UHFFFAOYSA-N 369.505 5.697 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1OC 225932370 TYBOXTUMXXNVQW-UHFFFAOYSA-N 373.880 5.198 0 40 FKAB C[C@H]1CCC[C@@H](OC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 226357841 CICGXGGFHBMCLY-HNAYVOBHSA-N 362.425 5.196 0 40 FKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Cl)cc1 408826943 UHSSHCALTUQEAE-UHFFFAOYSA-N 370.905 5.977 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409119730 UBTYLPFUSDNBEP-GDNBJRDFSA-N 356.208 5.746 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2ccccc2c1 1256166 DFIFTBXYSUTQMA-VQHVLOKHSA-N 372.251 5.807 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 2095291 MLOJMLAXYGKONV-SDNWHVSQSA-N 362.498 5.760 0 40 FKAB Cc1ccc(-c2nn(CN(c3ccccc3)c3ccccc3)c(=S)o2)cc1 2188565 APUUUBUDNORLCU-UHFFFAOYSA-N 373.481 5.977 0 40 FKAB Clc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCCC1 2407394 NVMUCFXRHKTPLP-UHFFFAOYSA-N 362.864 5.805 0 40 FKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccc(Br)cc1F 2517766 BYNHRSIXCPHHPU-UHFFFAOYSA-N 359.597 5.196 0 40 FKAB Cc1ccc(OC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1C 2751311 MMMJXLVDWSAXDA-UHFFFAOYSA-N 370.408 5.240 0 40 FKAB Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2-c2ccccc2)c1 3184149 IUSPECYUBMENAC-UHFFFAOYSA-N 373.496 5.594 0 40 FKAB CCOc1ccccc1C(=O)Oc1ccc2cc(Br)ccc2c1 3282041 SWFHBOXEAYAABB-UHFFFAOYSA-N 371.230 5.220 0 40 FKAB CCCC1CCC(c2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1 3583683 KOMUGGSVYFHWOS-UHFFFAOYSA-N 362.473 6.183 0 40 FKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 4524972 AJTJBLIFAGTZAF-SJJOOFSGSA-N 366.332 5.406 0 40 FKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 4953878 NAHYAVGPYXCEHL-UHFFFAOYSA-N 373.839 6.538 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2ccccc23)cc1 4970028 JQVRJOMHSFPPRS-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB CC(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C 5104386 WRNWDURPUAFISP-LVPODZADSA-N 358.610 6.897 0 40 FKAB CSc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 5333847 QSXIDJMDSJSNDB-UHFFFAOYSA-N 371.506 5.433 0 40 FKAB Fc1ccccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 6399533 VAAQYNNQEAWRJN-UHFFFAOYSA-N 363.417 5.173 0 40 FKAB CCCn1c(NC(=O)c2ccccc2Nc2ccccc2)nc2ccccc21 6587428 NEOXMRSIAUUHNI-UHFFFAOYSA-N 370.456 5.442 0 40 FKAB FC(F)(F)c1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1 6969741 MJIUQIZIWJCLEP-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB CC1CCN(Cc2c(-c3ccccc3)nc3ccc(Cl)cc3c2O)CC1 8717280 YISKUJGSKXCRKU-UHFFFAOYSA-N 366.892 5.493 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)c1 9063953 POCCVZDBZJLFDA-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Clc1cccc(-c2ccc(Cc3ccc(-c4cccc(Cl)c4)o3)o2)c1 12274186 SONRZKVRASVHAF-UHFFFAOYSA-N 369.247 7.104 0 40 FKAB CC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)cc1 12409497 QDXSTQWSRRRZJV-UHFFFAOYSA-N 370.861 5.227 0 40 FKAB O=C(c1cc(Cl)ccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12999837 JVIBJMFXHBKVDW-LBPRGKRZSA-N 374.868 5.109 0 40 FKAB Cc1ccccc1Cn1nc(C)c(NC(=O)CCC2CCCCC2)c1C 27922031 FHUDSKXSMSFYAD-UHFFFAOYSA-N 353.510 5.156 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 30865666 VNAXYXHQSBLKHK-GCJKJVERSA-N 361.510 5.381 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 36617411 LGWSSQNGIILBAJ-UHFFFAOYSA-N 367.836 5.192 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2ccccc2)cs1 59477550 YWQHRCVNBAABNX-WYMLVPIESA-N 372.449 5.722 0 40 FKAB OC1=C2C(=Nc3ncnn3[C@H]2/C=C/c2ccccc2)C[C@@H](c2ccccc2)C1 102626453 PBEWGUDXKHEQPV-OUFALPRKSA-N 368.440 5.008 0 40 FKAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)ccc1Cl 222858693 ILQAAACJEPIJNB-QGZVFWFLSA-N 373.924 5.288 0 40 FKAB Cc1cccc(C2(NC(=S)Nc3ccc(OC(C)C)cc3)CCCC2)c1 225867042 VYHMOBWLNGZNGX-UHFFFAOYSA-N 368.546 5.538 0 40 FKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 1776003777 BKHMAORDYYGSJR-UHFFFAOYSA-N 364.681 5.064 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc(Br)c(C(F)(F)F)c1 1029967 NOARCMXNADDBFX-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB O=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl 1097937 XFHAUSWKGNHGSE-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB CSc1nc2ccc(NC(=O)c3cc4c(s3)CC[C@H](C)C4)cc2s1 2664322 QJYWMNNVUNXITM-JTQLQIEISA-N 374.556 5.457 0 40 FKAB O=c1cc(-c2ccc(Cl)cc2Cl)oc2c(Cl)cc(Cl)cc12 2666259 ZHTFQXXCPXBDCU-UHFFFAOYSA-N 360.023 6.074 0 40 FKAB biogenic Cc1sc(NC(=O)CCC2CCCCC2)c(C(=O)OC(C)C)c1C 2744977 WCYNSNBLLCAEPN-UHFFFAOYSA-N 351.512 5.229 0 40 FKAB O=C(c1ccccc1)c1cc(Cl)c(C(=O)c2ccccc2)cc1Cl 3210986 GCOKWFSUHBLOBH-UHFFFAOYSA-N 355.220 5.455 0 40 FKAB CCn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21 3581887 ANRJAJVJWYXPBG-UHFFFAOYSA-N 367.499 5.002 0 40 FKAB Clc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 3911644 PLZSJFIUZBITPG-UHFFFAOYSA-N 363.804 5.127 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N[C@@H](C)c1ccccc1 5958509 PGMDLTCAUHDQNP-AWEZNQCLSA-N 368.864 5.546 0 40 FKAB CN(C)CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 6437063 DUXSZTVKCUAERV-QHCPKHFHSA-N 373.496 5.055 0 40 FKAB Cc1cc2oc(=O)cc(COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)c2cc1C(C)C 6611592 YEFFADSCHKFGFX-BBWFWOEESA-N 368.473 5.094 0 40 FKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccc(Cl)c2)S1 8277634 AOFWRRACNYNNGZ-OQLLNIDSSA-N 363.269 5.193 0 40 FKAB Cc1cccc(OCc2nc(C)c(C(=O)Nc3ccc(C)cc3C)s2)c1 9251007 KGWFMLQCTLUBLY-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB Cn1c(SCc2cccc3ccccc23)nnc1-c1c[nH]c2ccccc12 9277703 ZNEDGQSEFDNCTD-UHFFFAOYSA-N 370.481 5.409 0 40 FKAB Nc1ncnc2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c12 19894493 XGXRAHRQTKWASC-UHFFFAOYSA-N 363.420 5.806 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20137631 QEMNZEUHEXUYDK-UHFFFAOYSA-N 369.848 5.468 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc(C)c1Cl 20485868 YQHHWGRSBCUFPD-XLIONFOSSA-N 373.924 5.628 0 40 FKAB Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc(C(C)C)cc3)n2c1 35622035 ZBMOEOKYJVVLAI-UHFFFAOYSA-N 357.457 5.882 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 58837566 MSRSBWYWTOCUKB-GOSISDBHSA-N 353.506 5.956 0 40 FKAB CC(=O)Oc1ccc(Cl)cc1/C=C/c1ccccc1Br 66351908 RZELIUUDCHQPEY-VOTSOKGWSA-N 351.627 5.198 0 40 FKAB CCCCCn1c(SCc2ccccc2C)nc2ccsc2c1=O 67259648 QVJSOWZSVMWSSW-UHFFFAOYSA-N 358.532 5.249 0 40 FKAB CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215817 BBIOKLAWSYFWST-LJQANCHMSA-N 367.493 5.312 0 40 FKAB Nc1cc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)cc1Cl 72229434 RCBMLWOMHAJAJR-UHFFFAOYSA-N 350.032 5.135 0 40 FKAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(Oc3ccccc3)ccc2n1 78401719 FGVJEJVLAASBNU-UHFFFAOYSA-N 370.408 5.777 0 40 FKAB O=C(O)CC/C(=C/c1ccc2ccccc2c1)c1nc2ccccc2s1 82070603 YJIQDIFGIUHPTJ-JXAWBTAJSA-N 359.450 5.855 0 40 FKAB O=C(c1cccc(F)c1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 96012495 FGTDABWNXPXRBU-GOSISDBHSA-N 368.795 5.064 0 40 FKAB C/C(=C\C(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccccc1Cl 96316184 WPYBGMOOSWGSDD-ACCUITESSA-N 365.807 5.003 0 40 FKAB Cc1cccc(/N=c2/ssc3c2-c2cc(F)ccc2NC3(C)C)c1 103121472 XFZXCCAIMCERON-DYTRJAOYSA-N 356.491 5.817 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl 106978934 IBUUSKWMWWPEQR-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)c1 113932652 WAQLDRBUNXHCFF-CQSZACIVSA-N 365.901 5.207 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223151756 YZEZLLUCRIWVIW-KBPBESRZSA-N 359.922 5.187 0 40 FKAB C[C@H](CNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 223393262 UEZGBCNAGOLBBE-GOSISDBHSA-N 361.510 5.512 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223438705 LWVRXQDCFJWBCW-WOJBJXKFSA-N 369.505 5.045 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1 225061146 ZMKNSJZTYZEZCW-HXUWFJFHSA-N 352.817 5.082 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225844351 HHQWIKOHUSMGDJ-HSZRJFAPSA-N 371.521 5.799 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c(C(F)(F)F)c2)CCCCC1 225851177 XWALPFCAMLMCBN-UHFFFAOYSA-N 373.415 5.172 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408623282 SBNLVLGIENKZGD-UHFFFAOYSA-N 359.784 5.390 0 40 FKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccccc1 409111392 CLCNSKKZRIIQTN-ZHZULCJRSA-N 371.436 5.157 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2-c2ccccc2)c1 409130580 WLOGWEWVQMCFCV-UHFFFAOYSA-N 361.510 5.842 0 40 FKAB O=C(O)c1cc(-c2ccccc2)nc2c(Cl)cc(Br)cc12 1857793862 LIFQPTPUNFQXJD-UHFFFAOYSA-N 362.610 5.016 0 40 FKAB C/C=C/c1ccc(Oc2nc(C)nc3sc4c(c23)CCC4)c(OC)c1 715719 KNHHJKYDRDYHLP-GQCTYLIASA-N 352.459 5.322 0 40 FKAB Brc1ccc2nc(-c3cccs3)c(NC3CCCC3)n2c1 904311 ALQCUAWMRCXYLT-UHFFFAOYSA-N 362.296 5.180 0 40 FKAB O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1-c1ccc(Cl)cc1 1301081 XCTWRTJUIWPHHO-UHFFFAOYSA-N 370.886 5.430 0 40 FKAB Cc1ccc(Cn2c(-c3cccnc3Cl)nc3cc(C)c(C)cc32)cc1 1401764 XUDBWDNFQTZNHF-UHFFFAOYSA-N 361.876 5.725 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccc(Cl)cc1 1463209 PEWGQEWGNLXKDF-GOSISDBHSA-N 353.878 5.788 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1c2c(nc3ccc(OC)cc13)CCCC2 1591926 IPOMDZLYRWCOMB-KRWDZBQOSA-N 369.553 5.045 0 40 FKAB COc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1Cl 3340254 XCFDWZVAACLTSN-UHFFFAOYSA-N 367.861 5.764 0 40 FKAB Cc1cc(-c2csc(NCc3ccccc3)n2)c(C)n1C[C@@H]1CCCO1 3393030 YCOWDPFVIQBVGV-SFHVURJKSA-N 367.518 5.020 0 40 FKAB Cc1csc(N(C(=O)CSc2ccc(Cl)cc2)c2ccccc2)n1 3442317 KHKIHALFPQIPEU-UHFFFAOYSA-N 374.918 5.562 0 40 FKAB CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(C)cc2)cc1 3911615 ZVJJBGBOINFCFT-UHFFFAOYSA-N 359.498 6.084 0 40 FKAB O=C(OCCN1CCCC12CCCCC2)[C@H](c1ccccc1)[C@@H]1C=CCC1 4538938 DMBOPNLNZCYIRI-FGZHOGPDSA-N 367.533 5.078 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 5863741 NUWJCFXXZGIUMF-UHFFFAOYSA-N 358.652 5.445 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2C)N3)C1 6396185 UMSRODFODVKDIG-KUHUBIRLSA-N 368.546 6.027 0 40 FKAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1Sc1ccccc1 6625998 DQJSMLKVLXPJSF-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB COc1ccc(NCC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 6673386 MQACWAGGGYERMJ-QFIPXVFZSA-N 369.867 6.122 0 40 FKAB O=C(OCc1c(Cl)cccc1Cl)c1ccccc1Oc1ccccc1 6829609 LROIKBVXKATPOZ-UHFFFAOYSA-N 373.235 6.143 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(Cl)c2Cl)c1 8335587 LIYRLNFJOYFXSE-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CSc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 8728879 CJYDJSWOULRMRQ-UHFFFAOYSA-N 371.965 5.329 0 40 FKAB C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2 8837652 NNLZRTQGMULSBB-SYGKUVGHSA-N 365.561 5.682 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 11637157 FPDZREUYQSQEMW-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB O=C(Nc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 12137979 GTNDLHOIRYFRBO-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB NC(=O)c1ccccc1/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc12 12374231 KKYOUUOVONQGSL-PLRJNAJWSA-N 374.827 5.085 0 40 FKAB c1ccc2sc([C@@H]3CCCCN3c3ncnc4sccc34)nc2c1 12751619 FDATVXVRJFZXLB-AWEZNQCLSA-N 352.488 5.033 0 40 FKAB Cc1cc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)c(Cl)c1 12792660 VCQKACQXXTWBPL-UHFFFAOYSA-N 362.907 5.323 0 40 FKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccccc1 18210603 GYOACUPHDPDDRJ-UHFFFAOYSA-N 370.456 5.105 0 40 FKAB COc1cc2c(cc1OC)[C@@H]([C@H](c1ccccc1)c1ccc(C)cc1)NCC2 19853638 DDGCLVTZEWOIMF-RPBOFIJWSA-N 373.496 5.031 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)CCc1ccccc1 20040594 ISPUUMSGSPKGJV-WZONZLPQSA-N 361.485 5.135 0 40 FKAB Cc1nc(COc2ccccc2)sc1C(=O)Nc1ccc(C(C)C)cc1 20427857 LEQPUQPJVGOYSB-UHFFFAOYSA-N 366.486 5.406 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(C)ccc1C 22510880 ATVRCTXPEAKBHI-WZONZLPQSA-N 361.485 5.491 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)C[C@H](C)O3)cc1 30836274 PGHAVLRCECLPSD-QMHKHESXSA-N 370.452 5.090 0 40 FKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C/C(=C\c1ccccc1)[C@@H]2O 36614389 XBBFULYUUHIPON-YLWWUGQOSA-N 374.524 5.606 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3Cl)c2c1 46085627 XBNMZGJAXJOQGF-UHFFFAOYSA-N 357.837 5.826 0 40 FKAB COc1cc(N)cc2sc(Nc3nc4cc(C(C)(C)C)ccc4o3)nc12 57352683 BGIIVANLGNJMKC-UHFFFAOYSA-N 368.462 5.069 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(C(F)(F)F)c1 59477512 AHNXUZAQCJRVMP-ZRDIBKRKSA-N 357.331 5.617 0 40 FKAB COC(=O)CCCCCCCCCCCCCCCCCCCCO 64220139 YCYYZXLJQNQRSH-UHFFFAOYSA-N 356.591 6.564 0 40 FKAB biogenic Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1Cl 71760906 NTKHMXJQSREQGJ-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccccc3)oc12 101386546 PKUVIIIJWJZZIS-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB CC(C)CCC[C@H](C)N1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102043867 UOZUFDWIHKSHFC-HNNXBMFYSA-N 369.534 5.587 0 40 FKAB O=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@H]1c1ccccc1 104183308 MJSUUSHGYQJORK-BKMJKUGQSA-N 360.393 6.622 0 40 FKAB Ic1cc(-c2ccccc2)cc(-c2ccccc2)c1 118269591 LICOFADCKUKHJI-UHFFFAOYSA-N 356.206 5.625 0 40 FKAB O=C(c1ccc(C(F)(F)F)cc1)N1CCS[C@H](c2cccs2)CC1 219482405 QJNOYFQAOMORLV-HNNXBMFYSA-N 371.449 5.087 0 40 FKAB CC(C)C[Si](CC(C)C)(CC(C)C)c1c(F)ccc(C(=O)O)c1F 219799443 OZERAJAOOVCSKT-UHFFFAOYSA-N 356.529 5.287 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)cc1 222899763 APVURQZFHVFDOF-FCHUYYIVSA-N 353.506 5.291 0 40 FKAB CC[C@H](NC(=O)CSCc1ccccc1)c1ccc2c(c1)CCCC2 223017554 DMYVDDMCMRUUAH-NRFANRHFSA-N 353.531 5.066 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2)cc1C(C)C 223267663 ZMJSRFCEBBLURI-QGZVFWFLSA-N 371.546 5.238 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(F)cc2)on1 224067511 CZSVDKRQQGDYBC-UHFFFAOYSA-N 374.371 5.525 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 225024153 WORPMJDHDIJKGS-UHFFFAOYSA-N 361.510 5.777 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(C)c1OCC(C)C 225505310 IDWBGXNSARCFRU-UHFFFAOYSA-N 365.517 5.789 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225518767 NPDKYZRSUIHMQT-UHFFFAOYSA-N 355.453 5.455 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3cccc(C)c3)CCCC2)cc1 225840661 NSGZSZATKVJOTM-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)c1ccc(C(C)C)cc1 226356040 JVCWMDIJEHPDQG-UHFFFAOYSA-N 363.413 5.329 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1Cl 408620563 HIEALUKERPERAZ-UHFFFAOYSA-N 365.043 5.561 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 409026757 XDKWBPOUSBWLLF-CYBMUJFWSA-N 357.972 5.003 0 40 FKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccccc1F 409114297 GURZSDKJCYQYIL-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB COc1cnc(-c2ccccn2)nc1Sc1ccc(Cl)cc1Cl 1381783 ZJCZYZYRESXNND-UHFFFAOYSA-N 364.257 5.005 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(C)cc23)cc1 2073138 SRVNSKVVMCMPOX-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB COc1ccc(-c2cc(=O)c3cc(OCc4ccc(C)cc4)ccc3o2)cc1 2886922 ZZQAETQSKQKRPH-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB CCCn1cc(SCC(=O)Nc2cccc3ccccc23)c2ccccc21 4060591 DIVMAVRGGBBRNB-UHFFFAOYSA-N 374.509 5.935 0 40 FKAB C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 4214555 ILBBYVOOXMPNTM-CYBMUJFWSA-N 366.452 5.506 0 40 FKAB in-man CCOc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2C)cc1 4294103 PQFPRMRGRFGEJO-UHFFFAOYSA-N 374.412 5.048 0 40 FKAB CC(C)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 4313418 BQIJQUGKICFGMV-PXNSSMCTSA-N 356.853 5.233 0 40 FKAB Cc1ccccc1-n1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O 4898825 HEKMTJUINMFNQJ-NTCAYCPXSA-N 356.400 5.004 0 40 FKAB CCCCSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 5047157 QOGKEBVYEINFOY-UHFFFAOYSA-N 372.515 5.206 0 40 FKAB Fc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)c(F)c1 5774934 BUKVUIBWVZHBPU-NRFANRHFSA-N 368.814 5.974 0 40 FKAB COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(C(C)=O)c(C(C)C)cc3CC[C@@H]12 5963387 HFNSWUWOTLFFOE-PUHATCMVSA-N 356.506 5.196 0 40 FKAB CCOc1ccc2nc(NC(=O)c3c(Cl)cccc3Cl)sc2c1 6048410 OTFTVJVYEDHQIP-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)C(=O)CC(C)(C)C4)C1 6085669 KYOLGYAWSFUEMZ-LBPRGKRZSA-N 365.498 5.836 0 40 FKAB Cc1cc2nc(/C=C/c3cccc(Oc4ccccc4)c3)sc2cc1C 6203388 NCBTWQKABMKVCV-VAWYXSNFSA-N 357.478 6.876 0 40 FKAB FC(F)(F)c1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)nc1 6867076 JNWRZVNZHXXBHU-WYMPLXKRSA-N 357.335 5.339 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 8040921 KCZMYDMPTOFJRT-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3oc4cc(C)c(C)cc4c3C)on2)cc1 11914746 HUUCSLDJCLPBIN-UHFFFAOYSA-N 360.413 5.574 0 40 FKAB COc1ccc(CCNc2ccc(OCCC3CCCCC3)cc2)cc1 19738563 RAJWPDPCPAUCGI-UHFFFAOYSA-N 353.506 5.699 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 22519847 FOIVPQDQPNNEIW-UHFFFAOYSA-N 364.533 5.513 0 40 FKAB CC(C)c1ccc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)cc1 26564439 MQIOQXMIXKKCFN-UHFFFAOYSA-N 369.509 5.022 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 30859439 RYUPMYMXABVYQW-DNQXCXABSA-N 373.496 5.367 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(-c2ccccc2)cc1 32679610 WDFJZPORFINTEV-UHFFFAOYSA-N 366.848 5.066 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc(OC3CCCC3)c2)c1 32771730 UAGPNJNCKMHCJB-QGZVFWFLSA-N 352.478 5.064 0 40 FKAB Cc1ccc(-c2noc(-c3cccnc3N[C@@H](C)c3ccccc3)n2)cc1 33004366 ZORRIMYBZUWOCN-INIZCTEOSA-N 356.429 5.280 0 40 FKAB Clc1ccc(C2=N[C@@H](C3CCCCC3)N3[C@H]2[C@@H]3c2ccccc2)cc1 34895830 YWYLMPYWIUGPLF-AZRAODJOSA-N 350.893 5.475 0 40 FKAB CC[C@H](c1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193851 GYVYRBJYIFMRDC-OAHLLOKOSA-N 360.442 5.141 0 40 FKAB O=C(c1c[nH]c2ccccc12)N1CCS[C@H](c2ccccc2Cl)CC1 206993117 WEPWCHALWYAZME-IBGZPJMESA-N 370.905 5.142 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219322028 FLENRKMUEVYWJD-OALUTQOASA-N 359.897 5.382 0 40 FKAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222931720 SGFSZYABOWNXSG-FQEVSTJZSA-N 355.478 5.179 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 223029393 WLMBBNMPPGPVCV-RTWAWAEBSA-N 373.924 5.709 0 40 FKAB CC[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)CCCC2 223124921 DCOPJRTZCVBORT-VWLOTQADSA-N 371.524 5.919 0 40 FKAB CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 225484740 SKSJTOARVBCAKR-INIZCTEOSA-N 352.261 5.192 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 225705015 NQJPTYMZJLEENU-OAQYLSRUSA-N 367.533 5.501 0 40 FKAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)c2ccccc12 225844135 LAANAFAFNUMSCT-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)cc1 226093085 XEGFVPQHBFIJQI-UHFFFAOYSA-N 352.659 5.226 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5s4)cc3)sc2c1 226237243 ZFBGTXWIQREDHM-UHFFFAOYSA-N 372.518 6.857 0 40 FKAB CC(C)CN1C(=O)N(c2ccccc2F)[C@@H]2[C@H](c3ccccc3)CC[C@@H]21 257224979 FEGAYLFXLVYLDS-DZFGPLHGSA-N 352.453 5.039 0 40 FKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccccc1Cl 409120020 SGIKQTPGHCDSDH-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB COc1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1 675689 CMLTWDOIGMIRAI-UHFFFAOYSA-N 354.500 5.604 0 40 FKAB C[C@@H]1CC(C)(C)C[C@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 1397765 VRWPWKKRDRVORF-ADLMAVQZSA-N 354.277 5.089 0 40 FKAB S=C(Nc1cccc(Cl)c1)N1CCS[C@@H]1c1ccc(Cl)cc1 1441164 ZNPZZYPUCSBDMF-OAHLLOKOSA-N 369.342 5.438 0 40 FKAB Cc1cc(OC(=O)c2ccccc2)c(C)c(C)c1OC(=O)c1ccccc1 1594243 WQYMVLAZGLEXEI-UHFFFAOYSA-N 360.409 5.050 0 40 FKAB FC(F)(F)[C@@](F)(Cl)[C@](F)(Cl)Sc1c[nH]c2ccccc12 2256799 CBJUZZYVUOQKRP-NXEZZACHSA-N 350.139 5.589 0 40 FKAB Cc1ccc(OCCn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1 3655922 OJEVFOWYHXEUSP-UHFFFAOYSA-N 361.485 5.792 0 40 FKAB c1ccc2c(NC34CC5CC(CC(C5)C3)C4)nc(N3CCCCC3)nc2c1 4269402 PVJREZZOMIZWSZ-UHFFFAOYSA-N 362.521 5.001 0 40 FKAB CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@H](C)c1cccs1 5477722 GLYFRAIVXQXWND-UTKZUKDTSA-N 365.583 5.669 0 40 FKAB CC(C)c1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 5545395 BWNIUOLDWYDXLF-SAPNQHFASA-N 352.481 6.378 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc2ccccc12 5900483 HECQNPCSBWUCTA-UHFFFAOYSA-N 368.436 6.063 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1nc2cc(Cl)c(C)cc2s1 6826365 PKUSDGPZVHGJHM-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB CCOc1ccc2ccccc2c1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 8325143 HLFHPPKDAAAVSF-SELVFMLMSA-N 363.545 5.933 0 40 FKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccccc1F)c1ccccc1 8535315 VSFIHRNWJBEQDE-MRXNPFEDSA-N 369.867 5.909 0 40 FKAB C/C=C/c1ccc(OCCCSc2nc3ccccc3[nH]2)c(OC)c1 9250289 LVOAXNGCQWSPDC-XVNBXDOJSA-N 354.475 5.166 0 40 FKAB C[C@@H]1CCc2c(sc3nc(-c4ccc(F)cc4)cc(-c4ccco4)c23)C1 12633506 LGKROXDJGPWGEX-CYBMUJFWSA-N 363.457 6.487 0 40 FKAB Cn1nc(-c2ccccc2)c(-c2nc3ccccc3n2C)c1-c1ccccc1 12634174 BCAAEKXHAHEFBU-UHFFFAOYSA-N 364.452 5.308 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(OCc2ccccc2)cc1 12763507 RZSXBUNUUHKING-UHFFFAOYSA-N 356.425 5.308 0 40 FKAB CC(C)c1ccc([C@@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 13810407 HOVITIFMNZUZLM-HSZRJFAPSA-N 356.469 5.290 0 40 FKAB CCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 15831746 XZDAZHTWKWHPCV-UHFFFAOYSA-N 369.486 5.363 0 40 FKAB Cc1cc2oc(C(=O)Nc3cccc4cccnc34)c(C)c2cc1Cl 15835461 UVDCKQMIQCOJAP-UHFFFAOYSA-N 350.805 5.504 0 40 FKAB Clc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 15952674 JYKIGLBDAOYJFM-UHFFFAOYSA-N 358.292 5.465 0 40 FKAB Cc1ccc(Cn2nc(-c3ccccc3C)cc2-c2ccccc2C)cc1 17073083 JTENTLIGXKFIFJ-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)Nc2ccc(Cl)cc2Cl)C1 19075257 OTBFWMJIFLSYBW-SJKOYZFVSA-N 357.350 5.591 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20490792 HFNDHAPSXJUZBC-UHFFFAOYSA-N 356.897 5.133 0 40 FKAB O=C(CCCc1ncc(-c2ccccc2)o1)Oc1ccc2ccccc2c1 31665289 KWDIKYBISQDBCL-UHFFFAOYSA-N 357.409 5.423 0 40 FKAB c1ccc(-c2cnc(SCc3cccc4cccnc34)n2C2CC2)cc1 32899133 LROOYNMXBRIJRT-UHFFFAOYSA-N 357.482 5.726 0 40 FKAB Clc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 67321930 OODLWBNXFORWOC-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC[C@H]1c1ccccc1 69922970 MAQVUSZDLLVLRQ-AWEZNQCLSA-N 374.918 5.502 0 40 FKAB CCCCc1c(C)c2ccc(OCc3ccc(OC)cc3)cc2oc1=O 72326141 HJBGTTONLZHDCT-UHFFFAOYSA-N 352.430 5.032 0 40 FKAB biogenic O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc(Oc2nccs2)c1 84562577 ZFXMPPQUTGENPU-UHFFFAOYSA-N 372.449 5.855 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@H]1[C@H]2C 100740641 GFPXAFZFUGVACR-AABFTTDASA-N 357.494 5.269 0 40 FKAB biogenic Cc1cccc(CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 214622049 DOMVUIFQYIFQQL-YBFXNURJSA-N 362.454 5.021 0 40 FKAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc2c(c1)CCCC2 223083621 SPPRYSXTWUDJPH-QFIPXVFZSA-N 365.517 5.137 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)cc1 223801723 XOUBKYUATSGMPW-VWLOTQADSA-N 357.497 5.450 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(C)c(C)c2)c1 224625563 NQCXZCUWOSRGJM-GOSISDBHSA-N 369.505 5.200 0 40 FKAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408555604 GMANSUUFFHIWGI-QGZVFWFLSA-N 368.285 5.171 0 40 FKAB Oc1nc(-c2cccc(Cl)c2Cl)nc2sc3c(c12)CCCCC3 408990854 OOFDRRAEFUVKJY-UHFFFAOYSA-N 365.285 5.640 0 40 FKAB CC(C)Oc1ccc(/C=C2\Sc3ccccc3NC2=O)c2ccccc12 409093754 AYDCVEWSUBTKAQ-BKUYFWCQSA-N 361.466 5.712 0 40 FKAB Brc1ccc2[nH]cc([C@@H](c3cccs3)N3CCCC3)c2c1 1775970886 KINRELLGDXTHHT-KRWDZBQOSA-N 361.308 5.177 0 40 FKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 1023588 KXKWGUOBESJNJC-OVVICAPSSA-N 367.492 5.949 0 40 FKAB Cc1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 1260351 XNSHQHVSRNQUDD-UHFFFAOYSA-N 364.754 5.917 0 40 FKAB Cc1cc2c(cc1C)-c1nnc(-c3ccc4ccccc4n3)n1C(C)(C)C2 1261340 AOWIURVETPHHGI-UHFFFAOYSA-N 354.457 5.068 0 40 FKAB Cc1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3C)sc2c1 2091863 AYMKWPQBFOLFFI-UHFFFAOYSA-N 374.893 5.364 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(OC(F)(F)F)cc1 3456104 JZRBAXUGRAWECL-UHFFFAOYSA-N 371.786 5.616 0 40 FKAB Cc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1ccc(Cl)cc1)=N2 4168685 HIBGMAAYZWCFGE-UHFFFAOYSA-N 363.823 5.221 0 40 FKAB CC1(C)OC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 5496815 UMSIGAOAHUCMMZ-HSZRJFAPSA-N 374.480 5.147 0 40 FKAB COc1ccc2c(CC(=O)Oc3ccc4oc5ccccc5c4c3)coc2c1 6304960 WTBVLGFLGXOYPH-UHFFFAOYSA-N 372.376 5.489 0 40 FKAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 6566148 CIYHPEWTPLAZKP-FJDLLSKQSA-N 373.540 5.617 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1nc2ccc(Cl)cc2s1 6886112 FLOKDRHKGJEAMY-UHFFFAOYSA-N 368.845 5.120 0 40 FKAB CCCCCNCc1cc(Br)ccc1OCc1ccccc1 7261267 XNMTVEAGPAXKGT-UHFFFAOYSA-N 362.311 5.308 0 40 FKAB COc1cccc(CNC2CCCCCCC2)c1OCc1ccccc1 7522487 XJOHRGJJDDTHQL-UHFFFAOYSA-N 353.506 5.477 0 40 FKAB C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1cc2ccccc2o1 8238279 IGRZZHFNNORDKP-QGZVFWFLSA-N 371.436 5.356 0 40 FKAB COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1 8470373 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5.381 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 20808386 DWTCCHLHEGBRHZ-UHFFFAOYSA-N 372.424 5.318 0 40 FKAB CCOc1ccc(-c2cc(C(=O)Sc3ccc(Cl)cc3)no2)cc1 20896755 LBVXMAIXUIIKCP-UHFFFAOYSA-N 359.834 5.326 0 40 FKAB O=C(CCc1ccsc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24709229 WPUWVDWDWLNVSR-QFIPXVFZSA-N 361.466 5.333 0 40 FKAB CCCc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)sc1C 26562315 VAQOMYFNBKLPPE-ZDUSSCGKSA-N 370.474 5.285 0 40 FKAB CCc1ccc([C@@H](NC(=O)c2ccc(C(C)=O)s2)c2cccs2)cc1 29429106 QDHAKGNZRJYLLB-LJQANCHMSA-N 369.511 5.094 0 40 FKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccccc1)CC(O)=N2 32102186 VFPQEQMCPCNZLC-INIZCTEOSA-N 362.454 5.432 0 40 FKAB Cc1ccc(C)c(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)c1 35040482 MSYRKURHACIYAD-MHWRWJLKSA-N 359.903 5.363 0 40 FKAB CSc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2C)cc1 35616337 RLCCAWQBMROCTC-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB CN(Cc1cc(Cl)cc2c1OCOC2)Cc1csc2ccccc12 58582079 CSROVHSFTAVXPL-UHFFFAOYSA-N 359.878 5.053 0 40 FKAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102181021 OSTLLWRZYOJDGD-HUEXKOPYSA-N 365.542 5.461 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 106970816 CQYADBZSTMIIPV-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](N5CCCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118925801 CKLNKKSOWCISAB-XBUBOJNLSA-N 359.598 5.245 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 223217964 WOYFYMUCPUIACU-KRWDZBQOSA-N 355.478 5.312 0 40 FKAB CCc1ccc(CCC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 224591274 WGNNOXVMENNSBI-OAQYLSRUSA-N 365.517 5.380 0 40 FKAB CCO[C@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225718537 OHDHMAZCQDHTLF-KSFYIVLOSA-N 361.526 5.262 0 40 FKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12 226296462 FNVLLNYFDBSCLM-RUZDIDTESA-N 350.417 6.335 0 40 FKAB O=C(c1cccc(Cl)c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363075 IALZCYJDTNJNJV-UHFFFAOYSA-N 372.276 6.437 0 40 FKAB Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)o1 253497910 ZMDCSLTVAOWENP-NOWXPOJSSA-N 368.561 6.375 0 40 FKAB O=C(NC1CCCCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 408574674 KACMJWLDGRCAMC-HEHNFIMWSA-N 367.920 6.110 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(-c3nc(C)sc3CC)cc2)cc1 408580676 QPQIFZYLZFBZTL-UHFFFAOYSA-N 366.486 5.332 0 40 FKAB CCCOc1ccccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 408600300 BIPWOJYATBIZPA-BOPFTXTBSA-N 373.861 5.370 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cccc(C(F)(F)F)c3)sc2C)c(C)c1 409044906 FFCYONANBZMHSF-UHFFFAOYSA-N 362.420 5.920 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 409118194 SUVGHQJJWOHBCR-UHFFFAOYSA-N 365.448 5.588 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2ccccc2F)c(Cl)c1 409118427 ZRJRVOQSAZDZTR-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1cc2oc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(C)c2cc1Cl 526052294 SPBZWQHODYAIDE-UHFFFAOYSA-N 355.865 6.253 0 40 FKAB O[C@@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(Cl)cc1 1615864 KLWHJONHJZVCLM-YDHSSHFGSA-N 369.936 5.088 0 40 FKAB Clc1c(Cl)c(Cl)c(SCc2ccccc2)c(Cl)c1Cl 1687468 KYUMKYGLPMWORT-UHFFFAOYSA-N 372.531 7.246 0 40 FKAB Cc1cccc2c(C(=O)OCC(C)C)cc(-c3ccc(Cl)cc3)nc12 2079505 JRDKYZBSGBCYAA-UHFFFAOYSA-N 353.849 5.676 0 40 FKAB O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1Cl 2083519 LKYVGGVLOCAWAT-FNORWQNLSA-N 361.055 5.952 0 40 FKAB Cc1nn2c(Nc3ccc(F)cc3)cc(C(C)C)nc2c1-c1ccccc1 2219635 CTRMMSRTYFJSMU-UHFFFAOYSA-N 360.436 5.711 0 40 FKAB CCc1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1 2658915 HLCZEMCZTKPXIH-LLVKDONJSA-N 354.302 5.675 0 40 FKAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccccc1Cl 2713881 YVNMYHRDRRLJPC-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB O=C(c1cccc(Cl)c1)N1N=C(c2cccs2)C[C@H]1c1cccs1 4306623 FLNPMRVWDWXCPZ-HNNXBMFYSA-N 372.902 5.455 0 40 FKAB Cc1ccc(-c2nc3sc4ccccc4n3c2Nc2c(C)cccc2C)o1 4734369 YZJBWHBOXGICQO-UHFFFAOYSA-N 373.481 6.478 0 40 FKAB CCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccc(C)c2)s1 4982513 SMLQLAXOHLVLBQ-UHFFFAOYSA-N 369.465 5.100 0 40 FKAB CC(C)(C)c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 6022951 MPWHXEBMCFDRKS-RMKNXTFCSA-N 372.295 6.715 0 40 FKAB COc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1Cl 8161673 PGCHQEOYWUOQGN-UHFFFAOYSA-N 361.681 5.464 0 40 FKAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@H]21 10215623 OFOJPDNZFLWDCH-AUSIDOKSSA-N 374.440 5.229 0 40 FKAB COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)ccc1O 13056759 HCFGJZXDCSIFNB-DUXPYHPUSA-N 362.212 5.132 0 40 FKAB CCOC(=O)Nc1cccc(C(=O)Nc2c(CC)ccc(Cl)c2CC)c1 15607599 BGRJINWECWMLIF-UHFFFAOYSA-N 374.868 5.286 0 40 FKAB CC(C)c1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17113674 ZYEVLARHOIHZPF-UHFFFAOYSA-N 363.852 5.336 0 40 FKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 20137683 ZXSWQYSSBITFJC-UHFFFAOYSA-N 363.457 5.297 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccccc1 20486021 XNDMKNRYYVNRSU-GCJKJVERSA-N 361.485 5.511 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCSc2ccccc21 32740817 MFCDECCWRKZDBF-UHFFFAOYSA-N 366.511 5.261 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1C(F)(F)F)CC2 35339599 MTWBPBAXDQYNQU-QBFSEMIESA-N 369.342 5.439 0 40 FKAB COC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)c2cccc(C)c2n1 38487146 WVEQCIVUQRHZMM-UHFFFAOYSA-N 360.335 5.092 0 40 FKAB CSc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1 57510989 GMMJYMYEAABJQJ-UHFFFAOYSA-N 362.458 5.132 0 40 FKAB O=C(Nc1ncc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 68755484 IXDIFGFDQLIRIF-UHFFFAOYSA-N 357.240 5.159 0 40 FKAB c1ccc2oc(-c3nnc4sc(-c5cccc6ccccc56)nn34)cc2c1 96193832 DDRFKZIYPSFJLU-UHFFFAOYSA-N 368.421 5.419 0 40 FKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1 214636257 YFTOXZAQYICZAA-DEDYPNTBSA-N 359.450 5.385 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222563260 NYVQGMFMRSIECM-OAHLLOKOSA-N 361.938 5.652 0 40 FKAB C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222902743 MCSNJWXIPTYTSB-FYXHJSOBSA-N 361.529 5.754 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220670 NEYQSICVYGJBGP-MZNJEOGPSA-N 373.496 5.363 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1C(C)C 223268941 BMYGDGJDMCQYML-IRXDYDNUSA-N 371.546 5.485 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 223457785 WYCDYLZOFILHDT-IBGZPJMESA-N 369.574 6.234 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521343 WMTQNAZXKXPLJJ-KRWDZBQOSA-N 369.480 5.762 0 40 FKAB CCN(CC)c1ccc(-c2nc3cc(C)cc(C)c3o2)cc1Br 226332129 FKXLZMUYQRXMNO-UHFFFAOYSA-N 373.294 5.720 0 40 FKAB O=C(ON=C/C=C(/Cl)c1ccc(Cl)cc1)c1ccc(Cl)cc1 257351103 CCJZSNDUCRJVMO-IHXCVFSQSA-N 354.620 5.416 0 40 FKAB O=C(NCc1ccc(-c2ccsc2)o1)C1(c2cccs2)CCCC1 575611355 UYQUWWNRSZXLAH-UHFFFAOYSA-N 357.500 5.198 0 40 FKAB Cc1ccc(Br)cc1SCC(=O)Nc1ccccc1Cl 938571 DCZNGTIBTRONQG-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB CCCCCCc1c(C)c2ccc(O[C@@H]3CCCCC3=O)cc2oc1=O 2210630 GPCDHNDSJDQEHH-HXUWFJFHSA-N 356.462 5.115 0 40 FKAB C[C@@H]1C[C@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1 3213964 SUTOOAKGISNEJH-JPYJTQIMSA-N 356.469 5.208 0 40 FKAB COc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 3218150 PCFYYGHPEJOUKZ-UHFFFAOYSA-N 358.466 6.229 0 40 FKAB Cc1ccc2c(c1)/C(=C/c1ccccc1)c1cnc(/C=C/c3ccccc3)cc1-2 4359676 ZOLLAHMQDCHMTL-BECMDXFXSA-N 371.483 7.130 0 40 FKAB Fc1ccc(NC(=S)N(C2CCCCC2)C2CCCCC2)cc1Cl 4503326 MQZSIZKYAIRTCG-UHFFFAOYSA-N 368.949 6.143 0 40 FKAB c1ccc([C@@H]2CC(c3ccc4c(c3)CCCC4)=NN2c2ccccc2)cc1 4652658 CTPNPSVQLQQVSQ-VWLOTQADSA-N 352.481 5.921 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 4666418 HZJMRTKTAUILLV-LJQANCHMSA-N 373.496 6.420 0 40 FKAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1c[nH]c2ccccc12 4691462 RRSZEFIZTHQMOR-MWTRTKDXSA-N 356.469 5.683 0 40 FKAB Cc1cc(-n2cnc3ccccc32)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5244505 KPATWUOGVAXIGR-UHFFFAOYSA-N 373.847 5.005 0 40 FKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc(Cl)c1 5478316 VXGBAIFYCICCKG-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB Cc1ccn2c(NC(=O)c3ccccc3Cl)c(-c3ccccc3)nc2c1 5634990 LAWGIMNNALDCMO-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB Cc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1 6814388 LMFLBIAFVNWCBY-UHFFFAOYSA-N 364.492 6.755 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCCc1ccccc1 7540234 APCOLBCQDCUNPR-UHFFFAOYSA-N 367.533 5.519 0 40 FKAB Cc1ccc(C(C)C)c(OCCCCn2c([C@@H](C)O)nc3ccccc32)c1 7547482 DCFQUKGKBMYHQG-GOSISDBHSA-N 366.505 5.381 0 40 FKAB Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(C4CC4)o3)c12 7990895 ZSHSTSAWLSVQRU-UHFFFAOYSA-N 366.471 5.078 0 40 FKAB Cc1ccccc1-c1noc(CSc2nc(C)c(C)n2C2CCCC2)n1 8013039 FYKPNXOMKBASER-UHFFFAOYSA-N 368.506 5.266 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 10449017 XHOFVENUUOANPU-UHFFFAOYSA-N 359.494 5.490 0 40 FKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2ccccc2)cc1 12553776 RSNKZABHGVDBJU-UHFFFAOYSA-N 368.436 5.580 0 40 FKAB Cc1ccc(C(=O)COC(=O)c2oc3ccc(Cl)cc3c2C)c(C)c1 12690993 VVLYIBQRXDJFEU-UHFFFAOYSA-N 356.805 5.051 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 12818624 VGEHEUYWAFGTIY-SFHVURJKSA-N 359.922 5.429 0 40 FKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13649207 VGSQCXPOGNHWKM-IIBYNOLFSA-N 369.505 5.028 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3Cl)o2)cc1Cl 16346824 CHKPZUHOBQHANW-PKNBQFBNSA-N 372.251 6.214 0 40 FKAB Cc1ccccc1N[P@@]1(=O)OCCCN1Cc1ccccc1Cl 17380699 ZBYOZLJGPPQQHR-HSZRJFAPSA-N 350.786 5.091 0 40 FKAB CCOC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 20004290 UXOBNSMPOIAHJD-UHFFFAOYSA-N 368.496 5.609 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1cc(C)ccc1C 20106006 FENZDMNUOUKVRK-PGRDOPGGSA-N 361.485 5.491 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1C 20450205 IEALCOGTGUTOGW-MRXNPFEDSA-N 354.302 5.811 0 40 FKAB C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(F)cc1 20486523 HYPGBULRLZHUGT-NSHDSACASA-N 372.292 5.243 0 40 FKAB Clc1cc(CSCc2csc(-c3ccco3)n2)cc2c1OCO2 23103509 WCVTXEIPDYRQPY-UHFFFAOYSA-N 365.863 5.219 0 40 FKAB O=C(N(Cc1ccco1)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 27795744 WORJAFSDPVGAFQ-UHFFFAOYSA-N 369.892 5.683 0 40 FKAB Clc1ccc(Cc2nnc(SCc3ccccc3Cl)o2)cc1 75342216 AJDODHDGRLBKGW-UHFFFAOYSA-N 351.258 5.260 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344334 KMEOSRFJJJBBDD-MOPGFXCFSA-N 356.252 5.889 0 40 FKAB Cc1ccc(-c2csc3ncnc(N[C@@H](C)c4ccccn4)c23)cc1C 84181046 NRODRIBJKRWQGD-HNNXBMFYSA-N 360.486 5.543 0 40 FKAB Cc1ccc(Cc2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1C 96194250 JXIBINSNFNTUIC-UHFFFAOYSA-N 374.469 5.115 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(F)c1 98073102 VEJUESNXDCAKAT-MRXNPFEDSA-N 361.416 5.107 0 40 FKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N/c1ccc(Cl)cc1 101379543 JUWIKAXDPQBVFC-LVZFUZTISA-N 358.919 6.023 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1 107628970 AZUZKIFPPLKDOY-UHFFFAOYSA-N 367.448 5.980 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1Oc1ccccc1 222669128 UWWJRZKCKXACED-UHFFFAOYSA-N 367.448 6.203 0 40 FKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(F)c(Cl)c1 225361268 BHOQIBVWNMFHHA-UHFFFAOYSA-N 368.930 5.007 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)cc1 226333222 OFLWCQNVMZPNAV-LAJDLSKKSA-N 361.485 5.805 0 40 FKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2)cc1 409057788 HZJLWKDMJJVNPU-UNOMPAQXSA-N 367.470 5.019 0 40 FKAB Cc1cc(OCc2nnc(SC(C)C)n2-c2ccccc2)ccc1Cl 793887 RGAXOYRADSUUQZ-UHFFFAOYSA-N 373.909 5.309 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1c1ccc(F)cc1 799696 WDVLRBGPCWFGEU-IBGZPJMESA-N 352.796 5.250 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 834120 VOTOLJSYBKHGPL-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB COc1ccc(C2=C(C)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC 1321588 BLUILMSZRZVUTA-DEOSSOPVSA-N 372.464 5.968 0 40 FKAB biogenic O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(Oc2ccccc2)c1 1506399 IUEVTNWIYVPUHP-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB CCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 1842377 YVITZIRUWMVPBM-UHFFFAOYSA-N 374.864 5.339 0 40 FKAB CCC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccco1 2112034 JBHCGQIMUASSDG-QFIPXVFZSA-N 363.542 5.420 0 40 FKAB biogenic Cc1ccc2oc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc(=O)c2c1 2414109 TYJWBSDCBUXXBZ-UHFFFAOYSA-N 371.219 6.335 0 40 FKAB COc1ccccc1[C@H](Nc1cc(C)cc(C)c1)c1c(C)[nH]c2ccccc12 2546275 AYLSUSMKJKTDGC-VWLOTQADSA-N 370.496 6.303 0 40 FKAB O=C(c1ccc2nc(-c3ccc(Cl)cc3)sc2c1)N1CCCCCC1 3066785 HUWPNJMTARPJGB-UHFFFAOYSA-N 370.905 5.633 0 40 FKAB Cc1ccc(N=[P@@](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1C 5571048 XJLZGQJEKXLXAO-VWLOTQADSA-N 355.466 5.666 0 40 FKAB Fc1cccc(COc2cccc3c2Oc2nc4ccccc4nc2O3)c1 5705118 JZEZTUCLNJHMCA-UHFFFAOYSA-N 360.344 5.246 0 40 FKAB Clc1ccc2nc(C34CC5CC(CC(C5)C3)C4)cc(-c3ccccc3)c2c1 5896663 UOBZQOSBPGPTLG-UHFFFAOYSA-N 373.927 7.023 0 40 FKAB COc1ccc2nc(C)cc(Oc3ccc(OCc4ccccc4)cc3)c2c1 6831691 AEBQUKHXDCDMSO-UHFFFAOYSA-N 371.436 5.923 0 40 FKAB CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 7262344 KAUNVRRRROKUOA-UHFFFAOYSA-N 358.696 5.725 0 40 FKAB Cc1ccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7653956 ZYVRTMJIVSYBRU-IBGZPJMESA-N 360.482 5.100 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 10978899 CAUADRZHRBDSSQ-KGLIPLIRSA-N 363.910 5.097 0 40 FKAB O=C1C[C@@H](c2cccc(Cl)c2)c2sc(Nc3ccccc3)nc2N1 15110019 NGRASRYJUNBQJH-AWEZNQCLSA-N 355.850 5.014 0 40 FKAB Clc1ccccc1CNCc1cccc(OCc2ccccc2Cl)c1 16449766 MIDPRKNNJDQXGI-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB Clc1ccc(-c2noc(-c3cccnc3NC3CCCCC3)n2)cc1 21787762 IWBVNYCOILXRPX-UHFFFAOYSA-N 354.841 5.197 0 40 FKAB CCCCN(CCCC)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 22289102 MFLRSWOWPIQLAJ-NIEGGPFSSA-N 372.534 5.139 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 30849012 AETXXSAXAXDANW-NRFANRHFSA-N 353.506 5.193 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 59472254 DISNWYWTFWQWEE-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CCCN(C(=O)c1cn2c(C)cccc2n1)[C@@H](C)c1cc2ccccc2o1 64820306 BLZUFYFNOMSCTO-INIZCTEOSA-N 361.445 5.002 0 40 FKAB Fc1ccc2c(c1)[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)CCS2 90805906 XXTCEMCTMCPVFN-YSGRDPCXSA-N 357.494 5.120 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21)c1ccccc1 101150414 MHYNSJVWRVYYJJ-KOUHRCEDSA-N 372.512 5.540 0 40 FKAB aggregator CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(F)cc1 216354681 DMTXSHRWWFQWKQ-MGPUTAFESA-N 351.421 5.014 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224130449 MQBAWMFDOFWDHM-MRXNPFEDSA-N 373.496 5.642 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Cc2ccccc2Cl)c2ccccc2O1 225434390 GMOHELXOJFOOKF-GOSISDBHSA-N 357.881 5.081 0 40 FKAB Cc1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225676939 TVKDIPWSWUKCSZ-GOSISDBHSA-N 354.519 5.201 0 40 FKAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(N)nc12 226309318 MJDHEYHCODRPGK-UHFFFAOYSA-N 359.454 5.106 0 40 FKAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327127 OVJBXOANESDNQP-UHFFFAOYSA-N 366.027 5.577 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)ccc1Cl 408628838 DEZXAHXSBYCELM-MRXNPFEDSA-N 372.896 5.045 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 408702078 BLXNMSGSBOXXRI-KRWDZBQOSA-N 363.482 5.552 0 40 FKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccco2)C1=O 408819227 ZYISGXUYERQRQD-GRXRTFJCSA-N 367.494 5.334 0 40 FKAB COc1cc2c(cc1C)-c1[nH]c(=Nc3ccc(C)c(Cl)c3)sc1CC2 408899909 RUSPEUFUFYROMH-UHFFFAOYSA-N 370.905 5.353 0 40 FKAB O=C(c1cc2c(Cl)cccc2s1)N1CCCC[C@H]1c1cccnc1 604405460 TZOFNJOBRFKMDR-INIZCTEOSA-N 356.878 5.317 0 40 FKAB biogenic C[C@H]1CCCN(C(=O)c2ccc(COc3cccc4ccccc34)cc2)C1 673061 XWPDRMHCZYSUAO-SFHVURJKSA-N 359.469 5.291 0 40 FKAB Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1 877973 LPPMVETUKVWBFN-UHFFFAOYSA-N 368.264 5.220 0 40 FKAB COc1ccc(C2=Nc3ccccc3N=C(c3cc(C)ccc3O)C2)cc1 1245404 KIESUAVMCBJKCY-UHFFFAOYSA-N 356.425 5.355 0 40 FKAB biogenic COc1ccc(C2=C(C)[C@H](c3ccccc3)c3ccccc3O2)cc1OC 1321738 CRUJUVBDNKOWQA-HSZRJFAPSA-N 358.437 5.659 0 40 FKAB biogenic CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc2c(c1)OCO2 2274959 YKYKACFSDWNPLK-ZZEZOPTASA-N 368.483 5.098 0 40 FKAB CCN(CC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2296635 VJHKTXSRUIKHHH-UHFFFAOYSA-N 354.523 5.088 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 2761388 DBUNVUICBXCJES-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Fc1ccc(-c2csc3ncnc(Sc4ccc(Cl)cc4)c23)cc1 2888987 DCFLLEVHOORWPZ-UHFFFAOYSA-N 372.877 6.302 0 40 FKAB CCc1ccc(C(=O)c2cnc3cc(Cl)ccc3c2-c2ccccc2)cc1 4452690 JSDBRXIJLUOJAW-UHFFFAOYSA-N 371.867 6.349 0 40 FKAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 4543646 KIEWHBTUYMEKOA-UHFFFAOYSA-N 368.436 5.493 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1 4545070 ICKHYCSQSDEQRM-UHFFFAOYSA-N 353.849 6.032 0 40 FKAB Fc1cc(F)c(F)c(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1F 4613835 QYUFXJWKTZLZIA-SFHVURJKSA-N 370.349 5.599 0 40 FKAB c1ccc(-c2ccc(-c3cn4nc(-c5cccs5)sc4n3)cc2)cc1 4649546 CRRFFSDWJWLZBQ-UHFFFAOYSA-N 359.479 5.853 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)c1ccccc1 4698666 JWNMZYLANVDJON-XDHUDOTRSA-N 370.496 5.991 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 4746827 OCIZMXVNDAUWCJ-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5516046 CUSHEAUHOXGSHY-UHFFFAOYSA-N 358.445 5.155 0 40 FKAB Clc1ccccc1OCc1nnc(SCc2ccccc2)n1C1CC1 5627212 JHMPQIIJSSVAQD-UHFFFAOYSA-N 371.893 5.138 0 40 FKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccccc1 6208560 FCXGYSANNPFPFR-IBGZPJMESA-N 374.871 5.383 0 40 FKAB COc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 6237053 DBIOUKBEFRJZDP-UHFFFAOYSA-N 361.485 5.415 0 40 FKAB O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccccc1 6362298 YJWDJDBTXGUJTG-UHFFFAOYSA-N 367.514 5.027 0 40 FKAB CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6983588 CKGGMZYKFMJHJM-KRWDZBQOSA-N 354.881 5.116 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1ccncc1 8316018 PJZQWTJJFNNAKO-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9421444 GKSDMEYZAHTWQE-QFIPXVFZSA-N 367.452 5.207 0 40 FKAB CC(C)c1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 11869360 ZWPSESHUMRNWTE-UHFFFAOYSA-N 355.438 5.050 0 40 FKAB Cc1ccc(Nc2nc(CSc3nc4ccccc4[nH]3)cs2)cc1 12311763 ULTGZFPLVYNSQE-UHFFFAOYSA-N 352.488 5.364 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 20044106 UUORVCBWNZHBBD-QHCPKHFHSA-N 361.485 5.979 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1C(F)(F)F 28210997 VMQDMUTZRUOGRY-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 30116743 UCLWCJVVKGERKD-GFCCVEGCSA-N 374.362 5.160 0 40 FKAB O=C(NCc1nc(-c2ccccc2)cs1)c1cc2c(F)cccc2s1 36390495 PBPCNKBRMQRRQZ-UHFFFAOYSA-N 368.458 5.094 0 40 FKAB Cc1ccc(CSc2nccn3nc(-c4ccc(C(C)C)cc4)cc23)cc1 45925413 FMZGOVQTMOSCME-UHFFFAOYSA-N 373.525 6.120 0 40 FKAB O=C(NCc1cc(-c2ccccc2)on1)c1sccc1-c1ccccc1 58171491 UNHYAPVAESOBGL-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB COc1ccc(-c2cc(C(F)(F)F)cnc2-c2ccc(OC)cc2)cc1 81224930 FZYCFPGPWPSBMZ-UHFFFAOYSA-N 359.347 5.452 0 40 FKAB CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 85430382 DYYQRBZMEFVULR-AUUYWEPGSA-N 350.437 5.436 0 40 FKAB Clc1ccc(/N=c2/scc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 102962656 WYJOTHJYNDROQN-LQTLECTNSA-N 370.905 5.281 0 40 FKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 107042665 MFCXUQMPQVIIJQ-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C 224095067 MZANXJVXLUAMGE-UHFFFAOYSA-N 367.489 5.035 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224619832 KUARFTPSZWTKLY-FQEVSTJZSA-N 359.425 5.691 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(C)c(C)c2)c2ccccc2O1 225126540 XJQAEQWVBMPRDM-FQEVSTJZSA-N 351.490 5.045 0 40 FKAB CC(C)Oc1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225373659 RGLBBNSTTPWLMD-UHFFFAOYSA-N 366.288 5.030 0 40 FKAB CC(C)COc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784595 IGAKNFQGNCQMSD-UHFFFAOYSA-N 360.668 5.183 0 40 FKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 225809555 KIXDGXRTNMZTOK-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(OC)cc1 408824404 HMZVZPMQSCZZMK-UHFFFAOYSA-N 366.486 5.332 0 40 FKAB Cc1ccc(C2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](C)C2)cc1 682177 SBAKIPUQSZKOBH-SFHVURJKSA-N 354.453 5.555 0 40 FKAB O=C(C[C@H](SCc1ccco1)c1ccc(Cl)cc1)c1cccs1 729813 QLKBLQHBCHCQCO-SFHVURJKSA-N 362.903 6.242 0 40 FKAB O=C(Nc1ncccc1Cl)[C@H](Sc1ccccc1)c1ccccc1 994540 NBSRSDRLYKIACS-QGZVFWFLSA-N 354.862 5.207 0 40 FKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Oc1ccccc1 1388503 GKWUMTJHJIUZJJ-UHFFFAOYSA-N 358.850 5.223 0 40 FKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccccc1 1403533 FOZMSYLKQAXJSG-UHFFFAOYSA-N 372.295 5.297 0 40 FKAB CC1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 1456482 MKCFQCXHORDERC-UHFFFAOYSA-N 365.583 5.477 0 40 FKAB CC[C@@H](COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1 1710588 CCXSAEHBOIKXRL-NRFANRHFSA-N 365.517 5.063 0 40 FKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 2185679 ZWPNHPUNUPQKSE-HJPURHCSSA-N 374.459 6.110 0 40 FKAB CC(C)(Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2273254 DDVVQVMGLBIAEF-HNNXBMFYSA-N 354.302 5.457 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 2369286 XNYCLSGVJVZDLR-UHFFFAOYSA-N 358.828 5.808 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2558916 XIIAYQZJNBULGD-LUWBJXLVSA-N 372.681 8.498 0 40 FKAB biogenic Cc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)c1 2688296 MPCZQUIZQZDWPQ-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB Cc1cc(C)c(NC(=O)CSc2ccc(Br)cc2)c(C)c1 3528480 YEFYJTHBFKKVDQ-UHFFFAOYSA-N 364.308 5.105 0 40 FKAB CCOc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 4124695 JDPQCUOGYOKFFB-UHFFFAOYSA-N 355.441 5.308 0 40 FKAB CC(C)c1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 4151474 OFLWCQNVMZPNAV-HMNPXLOQSA-N 361.485 5.805 0 40 FKAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C1CCCCC1 4162426 VHEFJLXXYDZURM-UHFFFAOYSA-N 362.429 5.204 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N[C@H](C)c2ccccc2)cc1 4691522 KHTFQQBMMTVIDX-ZWKOTPCHSA-N 366.505 5.042 0 40 FKAB COc1cccc(-c2cc(C(F)(F)F)nc(N[C@H](C)c3ccccc3)n2)c1 4757759 VNGBBCKOYMEMQI-CYBMUJFWSA-N 373.378 5.344 0 40 FKAB Cc1cc(C)nc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)n1 4966326 VOLWAUQQDGHTFP-UHFFFAOYSA-N 364.518 6.008 0 40 FKAB Cc1nn2c(NCCC(C)C)cc(C(C)(C)C)nc2c1-c1ccccc1 5557484 JOVSILWGLQLMEF-UHFFFAOYSA-N 350.510 5.460 0 40 FKAB CCCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 5597707 GCOLTQRONGFSHD-UHFFFAOYSA-N 371.786 5.329 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC(F)F 6649660 PJWUWUYIGORCLX-UHFFFAOYSA-N 364.150 5.295 0 40 FKAB CCOc1cc(CNc2ccccc2Cl)cc(Br)c1OC 6959110 CUQHXEABQBUTBL-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 8383055 AFGQOZPLMQZXPU-UHFFFAOYSA-N 363.844 5.386 0 40 FKAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCc2sccc2C1 10923222 AIBMKSWZSVQOSC-DUXPYHPUSA-N 371.811 5.018 0 40 FKAB CC(C)[C@@H](C[C@]1(Cc2ccccc2)CCOC(C)(C)C1)NCc1ccco1 13682155 ZYXKVLNBYOOWPU-ISKFKSNPSA-N 369.549 5.602 0 40 FKAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccc(F)cc3)oc2c1 14244594 PEFSPTPZVSXCEE-UHFFFAOYSA-N 361.372 5.500 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14397671 QQPJSAIPXXUYMD-GFCCVEGCSA-N 368.260 5.025 0 40 FKAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1C1CCCCC1)CCC2 15840347 YPSUIQMGUJCCAS-UHFFFAOYSA-N 374.937 5.183 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccccc1 23623572 PFQXADSXLVMYTA-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB C[C@H]1C[C@H](C)CN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1 28632079 LSGLXOBUBXDHFI-LHAJZYKRSA-N 354.582 5.155 0 40 FKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 106982358 TUMIHFPOPMDRAJ-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB CN(C(=O)c1ccc(OCCSc2ccccc2)cc1)C1CCCCC1 216426312 RHZDTHZYZUZJNZ-UHFFFAOYSA-N 369.530 5.262 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 222935030 CSZFYZSTRPWBSG-UTKZUKDTSA-N 353.506 5.327 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 223106208 IEYSJIQCVDZVIY-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB CCC[N+]1=C(/C=C/c2ccccc2)C(C)(C)c2cc(Br)ccc21 223813119 DRTMQMJDMJKSEU-JLHYYAGUSA-N 369.326 5.949 0 40 FKAB S=C(NCCSCc1ccccc1Cl)Nc1cccc(Cl)c1 225295436 JTYOJXJPWNOYJI-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1 225374251 QQXMLHLYZOIIQI-SFHVURJKSA-N 350.289 5.502 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225539140 DIDXNWXPBCPQEZ-UHFFFAOYSA-N 365.517 6.015 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225826170 ALIJVTOCMYQYBP-UZUQRXQVSA-N 371.521 5.941 0 40 FKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)cc1 408572284 IGEDWKZLQPZBPI-UHFFFAOYSA-N 361.510 5.293 0 40 FKAB COc1c(C(=O)Nc2cccc(C)c2)cc2ccccc2c1Br 408623937 VKLKDWAEFKAODV-UHFFFAOYSA-N 370.246 5.172 0 40 FKAB CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3S[C@@H]2c2ccc(Cl)cc2)C1 409336873 WXRXIYDGTKJONV-WOJBJXKFSA-N 369.917 6.265 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 675105 MIUKVLRUZAJKTR-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl 682306 GBVLYFWRCZVRJK-UHFFFAOYSA-N 370.279 6.154 0 40 FKAB COc1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682559 UNLSPAYUZOEYSM-VIFPVBQESA-N 374.651 5.061 0 40 FKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1Br 1861147 ZREUHIFWVAMBSH-UHFFFAOYSA-N 353.215 5.335 0 40 FKAB CCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O 2091095 AYMFLMQGGSGSRU-UHFFFAOYSA-N 372.420 5.079 0 40 FKAB biogenic Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C(C)(C)C)cc1)CO3 2117953 OPGRWTHIAJCJSL-UHFFFAOYSA-N 363.457 5.064 0 40 FKAB biogenic O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1ccccc1 2361420 KKSSNFHRTRFOOV-IBGZPJMESA-N 352.411 5.569 0 40 FKAB CC[n+]1c(/C=C2/C=C(Cl)CC(C)(C)C2)sc2c3c(ccc21)CCCC3 3110443 FRMSXTFKXMUERH-QINSGFPZSA-N 372.985 6.414 0 40 FKAB CCOc1ccc(CN(C)C(=S)Nc2c(CC)cccc2CC)cc1 3330096 SBCURKCCGWHVTN-UHFFFAOYSA-N 356.535 5.039 0 40 FKAB Fc1ccc(C2=NN=C(c3ccc(F)cc3)CC(c3ccccc3)=C2)cc1 4344428 PBIPYVSJTXSPBU-UHFFFAOYSA-N 358.391 5.646 0 40 FKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc4ccccc4c3)C(=O)O2)cc1 4458516 QQAFWVVCBKLFGZ-QNGOZBTKSA-N 355.437 5.482 0 40 FKAB Cc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2C)cc1 4688972 VWVYJNPLLVQQBT-UHFFFAOYSA-N 359.498 5.160 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(C)o2)nc2nc(C)cc(C)n12 4734224 UWCSNHRCBNAUKC-UHFFFAOYSA-N 360.461 5.529 0 40 FKAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(O)c1ccccc12 4817144 SEBPOBRHOLNFGR-UHFFFAOYSA-N 359.425 5.283 0 40 FKAB biogenic Fc1ccccc1-c1nnc(SCc2ccccc2Cl)n1C1CC1 5333404 ZKPZMYJPVSPFBC-UHFFFAOYSA-N 359.857 5.365 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 7096878 WVODSHVBWGHTJF-LGVFNWMJSA-N 367.448 5.878 0 40 FKAB Cc1ccc(-c2nc(CNC(=O)c3ccc(C(C)(C)C)cc3)cs2)cc1 15832463 BSMHYVUCKILISU-UHFFFAOYSA-N 364.514 5.346 0 40 FKAB CC(C)C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 20460856 GMHJNNCXYUKOLF-VWLOTQADSA-N 371.524 5.989 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 20478747 JUKQSMSKWZGHAH-UHFFFAOYSA-N 358.441 5.465 0 40 FKAB CC(C)C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 20493894 WAEIQFQGXOGJDD-NRFANRHFSA-N 353.506 5.267 0 40 FKAB COc1ccc(Cl)cc1CC(=O)Nc1ccccc1Cc1ccccc1 21587373 CWLYLKGHLXHXJH-UHFFFAOYSA-N 365.860 5.121 0 40 FKAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 21801888 OEBAEWNNOOVJCM-UHFFFAOYSA-N 363.440 5.007 0 40 FKAB O=C(Nc1ccccc1F)c1cccc(OCc2ccccc2Cl)c1 22258076 KRQKWPOEDMBKFK-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c(Cl)c1 33700810 XEGNEWWPVYUPCJ-UHFFFAOYSA-N 363.288 5.544 0 40 FKAB CCOc1cc(NC(=S)Nc2ccc(C)cc2C)ccc1OC(F)F 36611113 YNPLILHYLGWQQO-UHFFFAOYSA-N 366.433 5.112 0 40 FKAB Cc1ccc(-c2nnco2)cc1NC(=O)c1oc2c(Cl)cccc2c1C 47320767 NZNSTSQRBCIIFX-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB CC(C)(C)c1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1 58160864 YIGXISMVLURNIP-UHFFFAOYSA-N 372.512 5.302 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217630 VBYRJUFDWPBWGF-SFHVURJKSA-N 370.518 5.695 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 78458543 ARVHFWIKHMHLKS-VGSWGCGISA-N 367.533 5.581 0 40 FKAB CC(C)C[C@@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918407 USTAGMANLYZOHZ-ZDUSSCGKSA-N 359.379 5.463 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219321823 NTOPGRRFRHCTRQ-RTBURBONSA-N 359.897 5.382 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C 223455768 XBWGOZZZPOGMPW-NRFANRHFSA-N 371.524 6.011 0 40 FKAB C[C@H]1C[C@@H]2C[C@@H](C)C[C@](c3cc(Br)c(O)c(C=O)c3)(C1)C2 254615219 AGMSQKWELKKRGR-BKQKLNMISA-N 351.284 5.071 0 40 FKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(C(C)C)c3C)N21 260771924 MARZADRDSJRWAX-AHRSYUTCSA-N 368.550 5.060 0 40 FKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(F)cc1 408829453 XFHNMRNCMPUSSA-UHFFFAOYSA-N 354.450 5.462 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 408836004 PCBFSBIUOCPZQG-UHFFFAOYSA-N 350.245 5.212 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 651948 XPWKVCKMDUCKTC-UHFFFAOYSA-N 374.651 6.253 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1Cl 1266119 BUZBVUVOUQLYAZ-UHFFFAOYSA-N 368.786 5.211 0 40 FKAB O=C(c1ccccc1Cl)[C@@H](Nc1ccccc1)c1ccccc1Cl 2042455 ZNLDXUATLQISIG-IBGZPJMESA-N 356.252 6.030 0 40 FKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1 2134884 JIARVRSFHWMRRD-UHFFFAOYSA-N 362.498 5.264 0 40 FKAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(Cl)cc2)n1 2422924 FXSQKGXINPGKBM-UHFFFAOYSA-N 363.804 5.128 0 40 FKAB O=C(CCc1cccc(Br)c1)c1ccc(Cl)cc1Cl 2516732 MESYQMRILHCAQI-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)C1CCCCC1 4328219 WJVPCYRSQJYSFB-UHFFFAOYSA-N 367.927 5.003 0 40 FKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccc(F)c1 4359359 KJNOWCRJIPXAMI-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB Cc1ccc(-n2nc3c(c2-c2cccc(F)c2)-c2ccccc2CC3)cc1 4568152 HYHZIIODXTWSSS-UHFFFAOYSA-N 354.428 5.752 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1ccnc(/C=C\c2ccc(Cl)cc2)c1 5121128 FIDFDSHBKIWNIN-GFBZKKKVSA-N 371.956 5.828 0 40 FKAB CCCCN(CCCC)C[C@@H](O)c1ccnc2c(Cl)cc(Cl)cc12 5499209 KKIDSYHNLHKVRP-GOSISDBHSA-N 369.336 5.477 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1Cl 5705214 MVNPIEMDUKJUEX-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB CCCCN(CCCC)CC[C@@H](O)c1cc2c(c3ccccc13)CCCC2 5973413 DYLWYXWERCOYOB-RUZDIDTESA-N 367.577 6.044 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 6629136 AFEFKNLYXUMSEL-UHFFFAOYSA-N 366.505 5.354 0 40 FKAB C[C@H](NC(=S)Nc1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 6996139 YZXSAWKGXGIWDQ-SCUMNGBJSA-N 364.558 5.731 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 8049214 PPJKDWGZPKWJEJ-NRFANRHFSA-N 373.496 5.300 0 40 FKAB CCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 9341506 ZJAQOMMWMVCXJR-UHFFFAOYSA-N 352.434 5.371 0 40 FKAB Cc1sc(NC(=O)[C@H]2CC=CCC2)nc1-c1ccc(OC(F)F)cc1 10954908 DTVIRPHUJGKCIX-ZDUSSCGKSA-N 364.417 5.015 0 40 FKAB Clc1ccccc1-c1cs/c(=N\c2ccccc2)n1Cc1ccco1 12559493 NLUVNYWODIUWDC-XDOYNYLZSA-N 366.873 5.744 0 40 FKAB CCOc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12 13121849 RLZHXNXRBZKKPE-UHFFFAOYSA-N 358.397 5.193 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OCc1ccccc1 13687171 NBUBCUNDSUSOAY-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCCC 14494893 HGWAKQDTQVDVRP-OKULMJQMSA-N 354.575 6.338 0 40 FKAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccs4)nc32)c(C)c1 15842338 JUIITYVAGYFGAH-UHFFFAOYSA-N 373.485 5.030 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 20460340 CWWMBLJLAMPNKC-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB COc1cccc(C2=C[C@@H](c3cccc(F)c3)n3c(nc4ccccc43)N2)c1 20754442 MTCYYFINEOFKPF-QFIPXVFZSA-N 371.415 5.240 0 40 FKAB C[C@H](SCc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1F 22883678 VWGDXGCCHXEWNX-JTQLQIEISA-N 358.265 5.393 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2cccc(Cl)c2)o1 27969143 RQCIHMAIHFQROC-AWEZNQCLSA-N 367.832 5.103 0 40 FKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1C[C@H]1c1ccc(F)cc1 29787064 YBGCSVBGBIKITC-OALUTQOASA-N 369.823 5.159 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(-c2ccccc2F)o1 32502372 YPVULQYKBXRYLG-UHFFFAOYSA-N 371.437 5.237 0 40 FKAB CCCCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 36147412 YWYBPDWAQZOYDV-FQEVSTJZSA-N 364.489 5.005 0 40 FKAB O=C(c1csc2c1CCCC2)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 40135079 FRLDIBNLCQPMOR-MRXNPFEDSA-N 364.514 5.128 0 40 FKAB Cc1cccc(Nc2nn(CN(C)Cc3ccccc3C)c(=S)s2)c1 57452147 FTRMZYBOPLXAIX-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 59498112 NCWLEAZHVHUGOX-QHCPKHFHSA-N 370.496 5.751 0 40 FKAB COc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 106977147 IOGLQNQYRLZFSI-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB Clc1ccc(NCc2ccccc2OCc2ccccc2)cc1Cl 107040564 YMMPVCVFMGJJMB-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](N5CCCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2O 118925809 CKLNKKSOWCISAB-HIOAPMMISA-N 359.598 5.245 0 40 FKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 170569246 YCTNJFKQPSOQOY-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB O=C(CSCc1c(F)cccc1Cl)NCc1cccc2ccccc12 222830129 FCLWTHAKPNDVED-UHFFFAOYSA-N 373.880 5.182 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NCC3=CCCCC3)cc2)cc1 223457413 BWSIRQPSDFJYNL-UHFFFAOYSA-N 351.515 5.518 0 40 FKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(F)c(Cl)c1 223870353 SKIQZMAHTKJOMN-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccccc2Br)cc1C(C)C 225656054 IKZDDUIIZSZXOQ-UHFFFAOYSA-N 362.267 5.142 0 40 FKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)c(Cl)c1 225659714 GJSBLZVWUKCLDN-CYBMUJFWSA-N 364.917 5.522 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C)sc2c1 408969258 KEUIJIXQSGKDJG-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB CCOc1cc(C)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1C(C)C 409010415 KJGAHQVRNQYQAU-XWAFYUISSA-N 361.507 5.352 0 40 FKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1cccc(Cl)c1 409115312 LVHJAVQVCSTROI-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(Cl)(Cl)Cl 575360895 KWOJSQKIICRMBB-UHFFFAOYSA-N 359.480 5.277 0 40 FKAB FC(F)(F)c1ccnc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)c1 1942112082 LQLJPPMMXXVVNG-RBUKOAKNSA-N 368.358 5.360 0 40 FKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 723749 ZPKWBUPPHZCIPE-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB COc1ccc([C@@H](CC(=O)c2cccs2)Sc2ccccc2N)cc1 948855 KPXQDJLSKLMPBH-HXUWFJFHSA-N 369.511 5.445 0 40 FKAB CCOc1ccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 1281067 HRGZIFBPLYCZLD-QHCPKHFHSA-N 357.457 5.472 0 40 FKAB Cc1cccc(C(=O)N(CC(C)C)c2nnc(-c3ccccc3C)s2)c1 1345338 IZXHKRXTIMUEJN-UHFFFAOYSA-N 365.502 5.125 0 40 FKAB CCC(=O)Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl 1385662 SZJXHTSTNSEDHC-UHFFFAOYSA-N 360.788 5.254 0 40 FKAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 2104847 HDKJRPSUPBXKGK-UHFFFAOYSA-N 372.877 5.505 0 40 FKAB CCOc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 2221076 WPMSOVJXQWSWGB-UHFFFAOYSA-N 357.413 5.145 0 40 FKAB COc1ccc(Sc2nnc(Cc3ccccc3)c3ccccc23)cc1 3133425 UAYVYCGOVFMUNW-UHFFFAOYSA-N 358.466 5.380 0 40 FKAB O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(Oc2ccccc2)cc1 3445883 HSCXIUGEHSZIHK-NTCAYCPXSA-N 367.408 5.074 0 40 FKAB O=C(Nc1nc(-c2ccncc2)cs1)c1sc2ccccc2c1Cl 4063470 ROYKIUWYXGTROV-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 5245442 PCNADKTXSOLDGB-BJMVGYQFSA-N 366.313 5.056 0 40 FKAB CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1cccc2ccccc12 5483395 UMJQCMNMHJSHOW-UHFFFAOYSA-N 371.436 5.660 0 40 FKAB CCCCNc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 5808013 OCSNEXGZWUYMIS-UHFFFAOYSA-N 354.523 5.283 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)C(F)(F)F)c3)nc2c1 8053925 DUGHRJZXOUUVHB-UHFFFAOYSA-N 368.742 5.266 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 8198258 PPGDDDOQORAXQJ-INIZCTEOSA-N 370.452 6.261 0 40 FKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(SC(F)F)cc1 8734526 YARUKVZJOMNRFY-UHFFFAOYSA-N 374.412 5.228 0 40 FKAB Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)o1 9667296 ZCODLMDINGSORC-QFIPXVFZSA-N 356.425 5.123 0 40 FKAB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111784 YJTJYTLCMLAZGV-QGZVFWFLSA-N 355.547 5.652 0 40 FKAB c1ccc2c(Cc3nc4ccccc4n3CCC3CCCCC3)cccc2c1 12360368 IUPCNZYNLFIVSF-UHFFFAOYSA-N 368.524 6.751 0 40 FKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 13030898 ZHLXTYWXOGKKHW-HXUWFJFHSA-N 368.524 6.435 0 40 FKAB O=C1C[C@H](c2cccs2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 13518352 WCLFZMGZDCHVQX-QGZVFWFLSA-N 371.465 5.075 0 40 FKAB Cc1ccc(-c2nn(C)c(-c3ccc(C)c(C)c3)c2Br)cc1C 17075693 WIEFUBMOKCLWQB-UHFFFAOYSA-N 369.306 5.750 0 40 FKAB c1csc([C@H]2Nc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN23)c1 26456162 NJSHLRGCECJNPJ-VXKWHMMOSA-N 357.482 5.301 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccc3ccccc23)[nH]n1 44837950 IXFVDPWJTVDGJI-UHFFFAOYSA-N 367.452 5.361 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)cc1 44935889 QQIOJBFMZLOSJF-HSZRJFAPSA-N 364.533 5.108 0 40 FKAB Cc1ccc(-c2cs/c(=N\Cc3ccccc3)n2-c2ccccc2)cc1 100053049 QOORWMGUXMBVCC-VHXPQNKSSA-N 356.494 5.615 0 40 FKAB C[C@@]12CC3CC(NC(=O)c4cc(F)c(F)cc4Cl)(C1)C[C@@](C)(C3)C2 100136226 MJTAYMHVUBVPFE-DGZNVGHZSA-N 353.840 5.097 0 40 FKAB CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F 196558273 SEHGNHOGQDPQRC-UHFFFAOYSA-N 374.328 6.219 0 40 FKAB in-vitro O=C(CSCc1c(F)cccc1Cl)NCc1ccc2ccccc2c1 222751081 SIHRPXMPDWSATH-UHFFFAOYSA-N 373.880 5.182 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222919773 DESYJDNBLCNOPZ-OAQYLSRUSA-N 367.533 5.905 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc2c(c1)CCCC2 223097117 UYJWXKHRFXIKJU-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc2c(c1)CCCC2 223125641 GPKDKGCGYJMYDU-QFIPXVFZSA-N 367.558 5.375 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1Cl 223133657 YUGAEKFOONPHLJ-FQEVSTJZSA-N 371.908 5.499 0 40 FKAB COc1ccc(C(=O)N2CCCCCC2)cc1CSc1ccccc1 224328733 NNGPSQIOSJPHPZ-UHFFFAOYSA-N 355.503 5.004 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225432884 ISLBCGCXXMPEOL-OAHLLOKOSA-N 355.503 5.083 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225468225 TZZRCJHBKBSXCG-NSHDSACASA-N 372.843 5.715 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@H](C)C1 225661558 XNZZNBNCONGCRQ-HTAPYJJXSA-N 359.510 5.322 0 40 FKAB CCO[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@H](C)C1 225713555 WLLNRIPLQPUHDG-FDDCHVKYSA-N 367.489 5.190 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(F)c(Cl)c2)o1 408620354 LZPQVAJCKGWSTH-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB Cc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1Cl 409180690 YOZKZORNCRGBGE-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)cc1C 996969 SXKDLPZDWKMPGS-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB Cc1ccc2c(c1)-c1nc(SCc3ccc(F)cc3)ncc1CS2 1403606 XRFIZHDYFULEDK-UHFFFAOYSA-N 354.475 5.489 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)sc2c1 1749389 VKRHCMKYGDBDPC-RIYZIHGNSA-N 370.477 5.924 0 40 FKAB CCCC1CC(C(=O)Oc2ccc(-c3ccc([C@@H](C)CCC)cc3)cc2)C1 2049271 MEOMGKAKGDOFFF-HGCBZUSOSA-N 364.529 6.989 0 40 FKAB Cc1nc(C)c(-c2cnc(Nc3ccc(Br)cc3)s2)s1 5587356 SQWORYSZUGBHDC-UHFFFAOYSA-N 366.309 5.390 0 40 FKAB O=C(C1=C[C@H]2Cc3ccccc3[C@H]2C=C1)c1cccc(Br)c1 5875461 PTTZZBPFQKBWPC-APWZRJJASA-N 351.243 5.084 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(NC(=O)[C@@H](CC)CCCC)cc1 6043044 DQNQSMCMWQELFO-ROUUACIJSA-N 360.542 5.996 0 40 FKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc2ccccc2c1 6260101 IJUIDHODAANBAF-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2C)N3)C1 6396195 UMSRODFODVKDIG-AUUYWEPGSA-N 368.546 6.027 0 40 FKAB COc1ccc(C)cc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 7504102 QSRNREUADMIDBJ-NRFANRHFSA-N 371.440 5.255 0 40 FKAB CSc1ccccc1C(=O)Nc1nc2c(ccc3ccccc32)s1 7511843 JYTKBFCYNNZUTH-UHFFFAOYSA-N 350.468 5.424 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 9910830 SJUMEMIMDKDIOO-UHFFFAOYSA-N 374.720 6.158 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 10324951 IGIQELHJAMGPGG-UHFFFAOYSA-N 372.251 5.967 0 40 FKAB COc1ccc(-c2c/c(=N/c3cccc(C)c3)c3cc(O)ccc3o2)cc1 12661460 FBRGMBUWXORKRD-FLFQWRMESA-N 357.409 5.355 0 40 FKAB biogenic Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1cccc(Cl)c1 12885597 PUDOJKTUXFVXFM-JTQLQIEISA-N 362.907 5.324 0 40 FKAB CC(C)(C)n1c(-c2ccc(Cl)cc2)cs/c1=N\Cc1cccnc1 13285712 WZMYQCDKGVXSNO-PYCFMQQDSA-N 357.910 5.121 0 40 FKAB C/C(=C\c1ccccc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15017644 IDYDKUGGKZEUMP-ABQKOSDSSA-N 372.493 5.721 0 40 FKAB Fc1ccc(-c2csc3ncnc(Oc4ccccc4Cl)c23)cc1 15346337 MZVCOYFWOCAEMA-UHFFFAOYSA-N 356.809 5.943 0 40 FKAB Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1cccc(Cl)c1 23126669 FOXKUKJMKRIGOV-UHFFFAOYSA-N 352.850 5.020 0 40 FKAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27742399 QZFBTOUHRVAYDR-IBGZPJMESA-N 370.562 5.003 0 40 FKAB c1ccc(CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1 45925252 KHFUSCMCIJEMJW-UHFFFAOYSA-N 367.477 5.842 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(Cl)c1F 71326215 PQPYBLGWGZCGOE-UHFFFAOYSA-N 359.253 5.258 0 40 FKAB CC(C)CNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213344 XKFLCPULKJZBBB-FQEVSTJZSA-N 367.493 5.013 0 40 FKAB Cc1ccc(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)c(C)c1 90593239 FPPDXMCUTMLLPW-UHFFFAOYSA-N 370.905 5.319 0 40 FKAB CCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 106964804 BAXXECFXSSODQW-UHFFFAOYSA-N 372.665 5.643 0 40 FKAB Cc1ccc(C(=O)NC[C@H](C)Cc2cccc3ccccc23)c(Cl)c1 225005179 QJGJTUMVBGZVKR-MRXNPFEDSA-N 351.877 5.410 0 40 FKAB O=C(NCCC1CCCCCC1)c1cc(Br)ccc1Cl 225074241 FLKOLGMAHCTCKJ-UHFFFAOYSA-N 358.707 5.193 0 40 FKAB CCO[C@@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225718460 OHDHMAZCQDHTLF-ZHRRBRCNSA-N 361.526 5.262 0 40 FKAB COc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225846664 RXBWWKKEAFQCRL-UHFFFAOYSA-N 360.910 5.105 0 40 FKAB Cc1cc(-c2nc3cc(Cl)ccc3o2)ccc1I 226239515 XGQBTBPBLNBFAT-UHFFFAOYSA-N 369.589 5.061 0 40 FKAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253617176 BESWZNZZPZNJEO-PTFKKOSVSA-N 358.566 6.312 0 40 FKAB S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 408571585 BSQBADUERRMKDX-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 408619488 CJSQOZVXQDAVQS-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc12 408621989 OLMRGQYEGLDKGT-UHFFFAOYSA-N 368.502 5.228 0 40 FKAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCC(=O)c3ccccc32)o1 670789677 UWGVKLFTYMXTIC-WOJBJXKFSA-N 365.473 5.046 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 1250246 ATGPEQSSJDVXFJ-UHFFFAOYSA-N 371.440 5.440 0 40 FKAB O=C(c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 1382864 QAIIYMOYRSEIEW-KGLIPLIRSA-N 370.073 5.742 0 40 FKAB COC(=O)c1cc2ccccc2c2c1Nc1ccc3ccccc3c1S2 1602280 ZFJYOKYHGAQEPV-UHFFFAOYSA-N 357.434 5.988 0 40 FKAB CCN(CC)C(=O)C[C@H](Cc1ccccc1)c1ccc(OC(C)C)cc1 2343850 SQMIARWJRZJBOF-NRFANRHFSA-N 353.506 5.059 0 40 FKAB CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C/c1c(C)cc(OC)c(C)c1C 3872538 HQMNCQVAMBCHCO-CBEMYHMWSA-N 354.490 5.646 0 40 FKAB in-man COc1ccc(-c2nc(NC(=O)c3ccccc3SC)sc2C)cc1 4517428 KRPUAKXOGCWXSS-UHFFFAOYSA-N 370.499 5.101 0 40 FKAB Cc1ccc(C)c(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 4660123 YEIGYDQMWXOJPB-UHFFFAOYSA-N 350.465 6.446 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCC(=O)O 5510364 YLEARPUNMCCKMP-BJCBFJDFSA-N 361.526 5.333 0 40 FKAB CC[C@H](C)Oc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 6555311 IQVWQIDRIMMYLP-LBPRGKRZSA-N 374.893 5.688 0 40 FKAB CCCN(C(=O)c1c(F)cccc1F)c1nc(-c2ccc(C)cc2)cs1 6825206 UMMFGMPXYGQGOM-UHFFFAOYSA-N 372.440 5.454 0 40 FKAB CCOc1cc(CN[C@@H](C)CC)cc(Cl)c1OCc1ccccc1F 8326679 LEJLVUZIGWXUDS-AWEZNQCLSA-N 365.876 5.345 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 8391522 PYIRUGNLJSJQPM-HNNXBMFYSA-N 372.896 5.002 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 10368748 ODRSORPUJNYTDH-UHFFFAOYSA-N 371.480 5.776 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Oc3ccc(Cl)cc3)o2)cc1C 11326902 WWLRMOBVEWXFTL-UHFFFAOYSA-N 355.821 5.150 0 40 FKAB Cc1ccc2c(C)cc(SCC(=O)Nc3ccccc3F)nc2c1C 12538134 OKSIKYAZUNKLNA-UHFFFAOYSA-N 354.450 5.030 0 40 FKAB Cc1ccccc1[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 13005388 YVWOERLZGHAROT-HXUWFJFHSA-N 361.514 5.681 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 13709632 ZBJMFJLKPXLIEQ-HNNXBMFYSA-N 367.832 5.538 0 40 FKAB O=C(Nc1ccccc1Cl)N1c2ccccc2Sc2ccccc21 13717074 OEGYHSYRGPLMQZ-UHFFFAOYSA-N 352.846 6.175 0 40 FKAB Cc1ccc(-n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 13881735 YGVOTXGGWVOAIK-UHFFFAOYSA-N 364.301 5.483 0 40 FKAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCCCC1 14093414 SZPSUDXQWJQMOT-UHFFFAOYSA-N 374.484 5.344 0 40 FKAB CSc1ncc(C(=O)Nc2ccccc2C(C)C)n1-c1ccc(F)cc1 15326651 KXNMRJGIHBPTPB-UHFFFAOYSA-N 369.465 5.109 0 40 FKAB Cc1noc2nc(C3CCN(CC4CCCCC4)CC3)cc(C(F)F)c12 19564988 KXJYPKQPKQXGQT-UHFFFAOYSA-N 363.452 5.229 0 40 FKAB c1ccc2c(CCNc3ccc(OCCC4CCCCC4)cc3)cccc2c1 19738564 BMMPBQBURLIWRH-UHFFFAOYSA-N 373.540 6.844 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1cccc(C)c1 20460758 JYWMPZRARDFWME-IBGZPJMESA-N 361.938 5.268 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 22531318 LJJQYEXQTUKKBD-SFHVURJKSA-N 374.267 5.943 0 40 FKAB Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2Br)c(C)c1 40095818 PDLHFUYYYSRARW-UHFFFAOYSA-N 361.283 5.038 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1C 44856404 UKNFHDXXYRUQEE-FQEVSTJZSA-N 364.533 5.170 0 40 FKAB COc1ccc(OC)c2c1[C@@H]1C(=C(C)C)[C@H]2c2c(F)c(F)c(F)c(F)c21 45071358 HAZODKJEOGUBOS-OKILXGFUSA-N 364.338 5.187 0 40 FKAB Cc1cc(C)c2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352873 PVZMUPXVFKTWCL-UHFFFAOYSA-N 371.465 6.465 0 40 FKAB C[C@H]1CCCCN1C(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 59843066 KKCYCLNHFOPOMF-ZDUSSCGKSA-N 354.450 5.117 0 40 FKAB Clc1ccc(COc2ccc3ccccc3c2CNc2ccccc2)cc1 106970698 LOCMGRGRMGVGGX-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1 137731779 MMVXBDDUNADJPU-UHFFFAOYSA-N 354.452 7.821 0 40 FKAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 224175974 GNKAKLVTGXSEBC-UHFFFAOYSA-N 371.845 5.181 0 40 FKAB CC(C)c1ccccc1O[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225088493 MAAZNAFFBAEPOZ-KRWDZBQOSA-N 353.245 5.192 0 40 FKAB CC(C)C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225332232 YNVWTBDSHMUXTR-IBGZPJMESA-N 364.316 5.830 0 40 FKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 225502488 DSZFJDFUPGBNBK-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515039 CGQXBMYSBCDYPT-MRXNPFEDSA-N 355.453 5.454 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 225536673 PNODOIFHVAVTSQ-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB COc1cc(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C(C)C 225658074 SURGKJDBXDMQNQ-UHFFFAOYSA-N 365.517 5.222 0 40 FKAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 225774373 CNCDKDDOCDEBOV-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 408623174 RUDJNZCDUOOQTB-SFHVURJKSA-N 365.517 6.265 0 40 FKAB CCn1c(Cc2ccccc2)nnc1SCc1ccc2ccccc2c1 664163 DMUIWZOFFDWLJR-UHFFFAOYSA-N 359.498 5.334 0 40 FKAB COc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)Nc3ccccc32)cc1 832677 MFBDWJPPFCAIQR-GAJHUEQPSA-N 372.468 5.287 0 40 FKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccco3)n2)cc1 932673 JSYFOUXFZROMQE-UHFFFAOYSA-N 374.465 5.559 0 40 FKAB C[C@@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 1438228 PICLVTIVPWKLBJ-BTYIYWSLSA-N 362.860 5.542 0 40 FKAB COc1ccc2nc(NC(=O)Nc3c(Cl)cccc3Cl)sc2c1 1590160 JVJRTFXHKZXTCQ-UHFFFAOYSA-N 368.245 5.256 0 40 FKAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C)c1-c1ccccc1 1903585 HTTJOYSWZWMXIX-UHFFFAOYSA-N 371.502 5.419 0 40 FKAB c1ccc(-c2c3cccccc-3c(-c3ccccc3)c2-c2ccccc2)cc1 2144105 BBAHZGDEGNYDBK-UHFFFAOYSA-N 356.468 7.792 0 40 FKAB biogenic CC(C)c1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 2556194 HBCKFPHXVUCAMA-DQEYMECFSA-N 372.464 5.712 0 40 FKAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2cccs2)nc2ccccc12 2653202 LWLZIOAZSFFXRQ-UHFFFAOYSA-N 370.477 5.704 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)cc1F 3434434 CUXRGCFDGKWHAO-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB COCc1c(C(=O)Nc2ccccc2Cc2ccccc2)oc2ccccc12 3495782 LBLQVMIIQLBMEC-UHFFFAOYSA-N 371.436 5.422 0 40 FKAB CCCCCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 6509389 MDKWRMMHWXUNFT-UHFFFAOYSA-N 365.502 5.041 0 40 FKAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 6602101 KJZXFLMCHOUMNZ-SECBINFHSA-N 362.178 5.503 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 8041382 SVUPWYJQLZVSIL-UHFFFAOYSA-N 363.482 6.232 0 40 FKAB O=C(Cc1ccsc1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185459 FXNLKJZHRDQGIT-MRXNPFEDSA-N 372.515 5.151 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 14002781 DXYIWVLRKKBBOD-UHFFFAOYSA-N 371.868 5.000 0 40 FKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1cccc(Cl)c1 22072408 UWQVHPLDOIUPAE-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504106 IAPNQZCYNPAEIU-UTTOWIBESA-N 374.871 5.276 0 40 FKAB C[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1cc2ccccc2o1 30545622 UTAYXPJYLROSGN-QGZVFWFLSA-N 358.441 5.258 0 40 FKAB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccccc1F 35647285 JCVGFZPAPILKGZ-VGOFMYFVSA-N 367.232 5.024 0 40 FKAB CC[C@H](C)c1ccc([C@@H](CC)NC(=O)c2cc(C)nc3onc(C)c23)cc1 36613779 ZKJWUJGXYDNURJ-ORAYPTAESA-N 365.477 5.234 0 40 FKAB CN(Cc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)nc1 57984588 VIEIPJUCGNSNEY-UHFFFAOYSA-N 367.836 5.191 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351543 AULJURUPYDADCT-AVRDEDQJSA-N 367.533 5.636 0 40 FKAB Clc1cccc(-c2csc(Nc3cccc(Br)c3)n2)c1 67321864 SSECAQNPJBVPIV-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB Fc1ccc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccc3ncccc3c2)cc1 72380349 HBILLSJAEMVCIR-JOCHJYFZSA-N 372.447 5.101 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 75285030 XJCCLYGGNKSAET-SDNWHVSQSA-N 363.844 6.093 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1F 98073297 GGTSIWHEHVFHLJ-MRXNPFEDSA-N 361.416 5.107 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1Cl 106971433 CDIYPIYPVDAQJH-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(CCc1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1 222663196 RVRSJCPLRCRDNV-UHFFFAOYSA-N 357.497 5.254 0 40 FKAB Cc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2F)c2ccccc2)cc1 223879078 IQECFFUYDFARES-QFIPXVFZSA-N 367.851 5.236 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225282358 NKDQGKDHAYRMKY-QGZVFWFLSA-N 353.506 5.649 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc3c(c2)CCCC3)cc1 225630173 AYMAFBCFUBFYKS-QFIPXVFZSA-N 351.490 5.091 0 40 FKAB COc1ccccc1NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225766944 QJEPWHCTNLCXIF-UHFFFAOYSA-N 368.820 5.785 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225826157 ALIJVTOCMYQYBP-SBUREZEXSA-N 371.521 5.941 0 40 FKAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCCC1 225829438 WGSVNAKDSGDLGW-UHFFFAOYSA-N 355.478 5.162 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)cc1 225842594 YVFGEHARQGMLTP-UHFFFAOYSA-N 368.546 5.458 0 40 FKAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)cc1 409000432 SXQKPIGWUVHRIU-PUHATCMVSA-N 355.437 5.164 0 40 FKAB Cc1ccc([C@H]2CC(=O)n3nc(-c4cccc5ccccc45)nc3S2)cc1 957027 BYDJRKBNPHZZOA-LJQANCHMSA-N 371.465 5.284 0 40 FKAB Cc1ccccc1NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C 1445573 NVXVTFFHRVUKQA-HETPVDKPSA-N 353.465 5.477 0 40 FKAB C[C@@H](OC(=O)c1ccccc1C(=O)O[C@H](C)c1ccccc1)c1ccccc1 1651939 RZHCBUNQWKVGAW-QZTJIDSGSA-N 374.436 5.523 0 40 FKAB CCCCSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2336362 SZWCMWZHEWFPFS-UHFFFAOYSA-N 354.544 6.129 0 40 FKAB CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2748191 YHRUGWLGRZUBNS-UHFFFAOYSA-N 373.283 5.737 0 40 FKAB CC(=O)Nc1cccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 3175089 DTKBQDRPSDHVPW-UHFFFAOYSA-N 373.387 5.187 0 40 FKAB CCOC(=O)N1CC(c2ccc3cc(C)ccc3n2)=Cc2cc(C)ccc21 4063515 BNLBJODVOJMRNG-UHFFFAOYSA-N 358.441 5.369 0 40 FKAB Cc1nc2cc(NC(=O)c3ccc(Cc4ccccc4)cc3)ccc2s1 4075720 UXLWTBYSVCWRQL-UHFFFAOYSA-N 358.466 5.448 0 40 FKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1 4079261 VPSVJLJRICXYCN-UHFFFAOYSA-N 366.442 5.236 0 40 FKAB aggregator Cc1c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccc(Cl)cc12 4520408 RMNDOEVVKFUCKR-ZHHULCEESA-N 371.908 5.729 0 40 FKAB COc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5459280 GFLWJKMKPHVBHQ-RBBKRZOGSA-N 373.431 5.330 0 40 FKAB Cc1ccc(CSc2nccc(-c3cc(Cl)sc3Cl)n2)cc1 5541283 HIEKKNFVUCTGQU-UHFFFAOYSA-N 367.326 6.113 0 40 FKAB FC(F)(F)c1ccc(Cl)c(NC(=S)Nc2ccc3cn[nH]c3c2)c1 5902652 FUVRQHKMSLCJMQ-UHFFFAOYSA-N 370.787 5.044 0 40 FKAB O=C(Nc1ccc(Br)cc1Cl)c1cccc2ccccc12 9141833 FGRZSJDRGCZXPE-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB CC(C)C(=O)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl 9668720 XBQZZGWSGNUNIB-UHFFFAOYSA-N 365.285 5.865 0 40 FKAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10692098 KHCFBVCKURFSHN-NRFANRHFSA-N 354.453 5.038 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)c1 12635588 FRZNXIAPSIRHHY-OAHLLOKOSA-N 365.502 5.174 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 14028276 NPGICSVDCMMACC-UHFFFAOYSA-N 366.288 6.205 0 40 FKAB CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 15016750 ZZMAYUGCYSCZQN-DENIHFKCSA-N 360.482 5.553 0 40 FKAB COc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 15720111 KDKRDPIWVCYTIV-UHFFFAOYSA-N 355.484 5.301 0 40 FKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(C(=O)O)cc3)c2c1 19911645 CTBFTWUEPVEZKS-HIXSDJFHSA-N 355.393 5.339 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 20459789 JHCFNMOBLWDDLC-HUUCEWRRSA-N 359.897 5.282 0 40 FKAB Cc1cccc(C)c1NC(=O)CCSc1ccccc1Br 40128808 MHLQPFFXOOQYEM-UHFFFAOYSA-N 364.308 5.187 0 40 FKAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 40914961 MSSRKTSVXGKBDH-FQEVSTJZSA-N 368.816 5.207 0 40 FKAB COc1cc(Br)c2oc(-c3cccc4ccccc34)nc2c1 45920300 WYYMQTRLYGMZID-UHFFFAOYSA-N 354.203 5.419 0 40 FKAB O=C(c1ccccc1)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 57576100 QNWAIMWBOKAZQY-UHFFFAOYSA-N 367.514 5.377 0 40 FKAB O=C1[C@H]2[C@@H]3CC[C@@H]([C@@H]2[C@@H]2[C@@H]4C[C@@H]([C@@H]12)[C@@H]1[C@H]4[C@@H]2CC[C@@H]1C2)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 100354189 YJUVCBGGFBYMBC-YQXYQARGSA-N 362.557 5.048 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@H]1[C@H]2C 100740642 GFPXAFZFUGVACR-AMVAKQTESA-N 357.494 5.269 0 40 FKAB biogenic COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](C(C)C)C3=C(O)C2)cc1 102740808 JIOFYVQBPDJADQ-RDTXWAMCSA-N 352.434 5.207 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219591349 IGSQDQWGNDLCHX-QFIPXVFZSA-N 373.452 5.022 0 40 FKAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222905037 FLJHFLNBGAFMHB-OAHLLOKOSA-N 373.949 5.329 0 40 FKAB O=C(Cc1cccs1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223737304 PFVFLYCWPNEGAK-UHFFFAOYSA-N 351.515 5.397 0 40 FKAB CC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344779 LZSPZZRRSBGWIL-ZDUSSCGKSA-N 363.910 5.169 0 40 FKAB Cc1ccc([C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)c(C)c1 224483202 JWIBJARINFKUQQ-HSZRJFAPSA-N 363.888 5.405 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c2ncccc12 225907794 IRTDCQMSRPZMPD-QFIPXVFZSA-N 372.509 5.338 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(N)c1 226347333 GDSKUDCHVULJED-UHFFFAOYSA-N 351.258 5.351 0 40 FKAB FC(F)(F)c1ccc2sc(Cc3cccc(Br)c3)nc2c1 247663447 USNKGIKWXHWWSL-UHFFFAOYSA-N 372.209 5.668 0 40 FKAB Oc1nc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc12 253536005 BJJYXGAERRRHBC-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB Cc1cccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1 408563040 TUNFUJOQDSQMDA-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 851908 LGGUTBJLZZZKRT-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB FC(F)(F)c1cc(Oc2ccc(Cl)cc2)nc(-c2ccccn2)n1 1387869 KMUUESLAKHDOIA-UHFFFAOYSA-N 351.715 5.003 0 40 FKAB Cc1nc(C)c(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)s1 1421775 POKKTGLENKADAB-UHFFFAOYSA-N 356.303 5.934 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3cccc(C)c3C)c2c1 2079365 PKYMEGIFWCFDSM-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB CCCCc1ccc(N(C(F)F)S(=O)(=O)c2ccc(Cl)cc2)cc1 2713515 LEDONMICUWICHX-UHFFFAOYSA-N 373.852 5.101 0 40 FKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(Cl)c1 2961520 HSVWKQKVQGGVAQ-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CCOc1c(C(C)C)cc(NS(=O)(=O)c2ccccc2)cc1C(C)C 3138917 SSLQFXUDNDRYKJ-UHFFFAOYSA-N 361.507 5.133 0 40 FKAB O=C(Oc1ccc(F)cc1)c1ccccc1OCc1ccc(Cl)cc1 3222403 USNMUZJTTCZRQV-UHFFFAOYSA-N 356.780 5.277 0 40 FKAB CCC(C)(C)c1ccc(Oc2nc(C)nc3sc4c(c23)CCC4)cc1 3323039 AQURRLCEVMHLDN-UHFFFAOYSA-N 352.503 5.968 0 40 FKAB Fc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccccc1 3330135 PZBUZZJKZHARMH-UHFFFAOYSA-N 350.462 5.225 0 40 FKAB C[C@@H](CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O)CC(=O)O 3851380 RJTQRENDRIOHRF-LKDYQKJYSA-N 352.515 5.052 0 40 FKAB Cc1ccn2c(Nc3ccccc3C)c(-c3c(F)cccc3Cl)nc2c1 4733758 XPDKVJJYSXAPFB-UHFFFAOYSA-N 365.839 6.154 0 40 FKAB Cc1ccc(NC(=O)N2c3ccccc3S[C@@H]2c2ccco2)c(C)c1 5664424 RVVYLXMIGDRGQU-LJQANCHMSA-N 350.443 5.739 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)o2)cc1C 6044502 QMOMDSBLCMFITC-UHFFFAOYSA-N 374.484 5.806 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)Cc1ccco1 6526471 VFZAVOKXJTXKFK-UHFFFAOYSA-N 358.800 5.306 0 40 FKAB CCSc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 7597776 ZIXRTZHYXCLPSF-UHFFFAOYSA-N 372.490 5.242 0 40 FKAB CCn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 7779063 AJLDNHNJBMKQRM-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 8747958 GHBIWDSMXGNABL-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1C 8991748 XYCLDFAGISVUNR-UHFFFAOYSA-N 358.397 5.070 0 40 FKAB CSc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 10252255 CNQNZAHHIUVGDL-UHFFFAOYSA-N 354.500 5.022 0 40 FKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)no1 12927970 CVFAQFXXXAERND-UHFFFAOYSA-N 367.474 5.046 0 40 FKAB Cc1ccc2nc(-c3ccc(NCc4ccc5[nH]ccc5c4)cc3)sc2c1 15424279 NVXGZEDFQFAUGK-UHFFFAOYSA-N 369.493 6.365 0 40 FKAB Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=O)CC(C)(C)C2 16740206 MZBCWKAGSNNQKT-UHFFFAOYSA-N 367.228 5.269 0 40 FKAB Cc1c(Cl)cccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 20671994 BPBXAPMNFYLIPY-CYBMUJFWSA-N 365.864 5.343 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 26780158 BBMILOGJRXUKSN-UHFFFAOYSA-N 364.876 6.139 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1Cl 32610245 MRHBJNNYIJBQLJ-UHFFFAOYSA-N 350.249 5.238 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2ccc(F)cc2Br)c1 71326246 RVNDAQNIULLBEF-UHFFFAOYSA-N 367.287 5.521 0 40 FKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@H]2CCCC[C@H]21 72302736 NEBSQZKNAQPTKP-QVKFZJNVSA-N 352.453 5.046 0 40 FKAB FC(F)SCc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)o1 95989242 SYSBOBZOGQGVEA-HNNXBMFYSA-N 373.852 5.392 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 222715242 RBPHDFUUSZEYNE-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222726177 UFHKFCRSTNWAJT-CYBMUJFWSA-N 368.329 5.412 0 40 FKAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223266633 FOKWGXWHOHSRLS-FMQWLBJXSA-N 367.489 5.026 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)c(C)c1 225331929 UCYLPKXGLPRYBC-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225546398 RXMRLUDQTFFTNB-UHFFFAOYSA-N 369.480 5.682 0 40 FKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)c1 225564125 LNDGMBLKGXEMJC-UHFFFAOYSA-N 370.562 5.516 0 40 FKAB O=C(Cc1cccc(Br)c1)Nc1ccccc1-c1ccccc1 225616644 QMOITJZAOGPUMJ-UHFFFAOYSA-N 366.258 5.297 0 40 FKAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2ccccc12 225810094 AFILLIUTHWBTOV-SBUREZEXSA-N 369.505 5.553 0 40 FKAB CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 248231346 KYBFXPNLJQXJLP-VHDSIXQDSA-N 374.528 5.511 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1Cl 408586081 KZOFJGKJLBTUSY-UHFFFAOYSA-N 372.679 6.078 0 40 FKAB COc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3C)cc2)c1 408619581 JLSCXVIIPQGZSH-UHFFFAOYSA-N 351.377 5.187 0 40 FKAB COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)nc2c1 408713194 NOWREPTXRNPYRD-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2)c1 409179554 QEQSOLVTBWGGCR-UHFFFAOYSA-N 368.432 5.946 0 40 FKAB FC(F)(F)c1cc(Br)cc(Cl)c1OCc1ccccc1 642814556 QICODKLFTFOHTR-UHFFFAOYSA-N 365.576 5.700 0 40 FKAB COc1cccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 675297 TXIWYYPRBAXHMG-UHFFFAOYSA-N 362.267 5.008 0 40 FKAB Cc1ccc(OC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cccc23)cc1 2079521 WPPAFOLDYRPBIU-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 4703920 QHKITALJMZGNOC-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB Cc1ccccc1[C@@H]1Sc2ccccc2N=C2c3ccccc3C(=O)[C@H]21 4713507 DBNIJUSZXPFFCJ-REWPJTCUSA-N 355.462 5.775 0 40 FKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1Cl 4997205 CBFSZKDGJMKGMZ-LLVKDONJSA-N 355.850 5.725 0 40 FKAB CC(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 5150186 BPCMKAXMMFOQRN-UHFFFAOYSA-N 372.516 5.990 0 40 FKAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1ccc(Cl)cc1 6242306 YFJPMFDZAOJOIO-UHFFFAOYSA-N 362.816 5.013 0 40 FKAB CCc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc(C)o3)=NN2)cc1 6821900 UJFNFWWWYADEDN-UHFFFAOYSA-N 363.848 5.238 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@H]21 7097764 CRNCUXZZPSIYFE-DRMXPCRNSA-N 367.448 5.878 0 40 FKAB O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C\c1ccsc1 7701016 PEWTVFFYPAVBIV-XNTDXEJSSA-N 362.479 5.131 0 40 FKAB CCc1ccc2oc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1 8087668 UOKKLABVIKJQFL-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB C[C@H](NC(=O)c1ccccc1Nc1nc2ccccc2o1)c1ccccc1 8194598 XWRWVVUUPDLTMJ-HNNXBMFYSA-N 357.413 5.062 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 13563210 QFUUJYQGUWNUIK-QOCHGBHMSA-N 371.893 5.081 0 40 FKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccs4)c3)nc2c1 14257966 OTLVIGSWZOGNIB-UHFFFAOYSA-N 362.454 5.679 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 14268874 VJDPDEWUMQNUSG-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(Cl)cccc2Cl)N3)C1 17086061 JGMLVNJJJKURTE-AYVTZFPOSA-N 367.301 5.034 0 40 FKAB CCCCOc1ccc(NC[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 19738152 DPFUSPDWPMMWPV-CTNGQTDRSA-N 369.549 6.649 0 40 FKAB CCc1ccccc1-n1nc(-c2ccccc2)c2cnc3c(F)cccc3c21 21017507 ZTSDDEUMVKEDDR-UHFFFAOYSA-N 367.427 5.942 0 40 FKAB CC[C@H](C)n1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21 21596601 WXXZHTVEINKPHZ-ZDUSSCGKSA-N 364.474 5.178 0 40 FKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCCCCC1 22246092 ABTGTXRZTIFVJY-UHFFFAOYSA-N 361.486 5.177 0 40 FKAB FC(F)(F)c1cnc(-c2ccnc3cc(-c4ccccc4)nn23)c(Cl)c1 22996575 XOUFATWFARAMFW-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 24838078 VXJAOPRBDQIMJI-QGZVFWFLSA-N 372.468 5.360 0 40 FKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cc(C)cc(C)c3)oc12 67339982 PGWQHSIXLUXUNK-SNAWJCMRSA-N 355.821 5.364 0 40 FKAB CN(C(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)C1CC1 83855506 UYJFCIXITPXEIT-UHFFFAOYSA-N 366.313 5.520 0 40 FKAB O=C(Nc1cccc2cnccc12)N[C@@H](c1ccc(Cl)cc1)C1CC1 84494055 ZMCCONJFSGPWMD-LJQANCHMSA-N 351.837 5.161 0 40 FKAB CC[C@H](N[C@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 95968427 PJSBTOJEZIVMGA-ACJLOTCBSA-N 355.482 5.455 0 40 FKAB CCc1ccccc1/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc12 101268586 FCFQEIRCNGALHJ-WNAAXNPUSA-N 369.464 6.212 0 40 FKAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102181017 OSTLLWRZYOJDGD-XMVRCVLPSA-N 365.542 5.461 0 40 FKAB COCc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 118212635 ICRSOVOKENPWCQ-OAQYLSRUSA-N 355.522 5.179 0 40 FKAB in-vitro Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)o1 118916285 ZMDCSLTVAOWENP-KXWHSLNISA-N 368.561 6.375 0 40 FKAB biogenic Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 222847878 SHFGVUATNJZCHZ-QGZVFWFLSA-N 373.924 5.288 0 40 FKAB O=C(CSCc1ccc(Cl)cc1F)NCc1cccc2ccccc12 222895409 HIJIRPDZTFEEAA-UHFFFAOYSA-N 373.880 5.182 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 222934578 FPDNHDKNKXUNTC-FGZHOGPDSA-N 365.517 5.335 0 40 FKAB CCCCOCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OC 224442581 MCAUIPQAPYTOIA-UHFFFAOYSA-N 355.478 5.189 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 224893327 JQTBYMKLPXRQJH-UHFFFAOYSA-N 374.827 5.914 0 40 FKAB CCc1nc2ccc(NC(=S)N[C@@H](C)c3ccc(F)cc3)cc2s1 225208493 IRVPJWQITWSOCC-NSHDSACASA-N 359.495 5.045 0 40 FKAB CCCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225862373 BIKAYSZLKJPFFR-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB COc1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 408586637 OJGBMEYTNHBAKR-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB COc1ccccc1Oc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 408603610 SAEDKYBQRYAZDP-UHFFFAOYSA-N 373.235 6.025 0 40 FKAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)cc1 409000424 SXQKPIGWUVHRIU-MZYLBHOOSA-N 355.437 5.164 0 40 FKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 409111347 IJSGQBVCZHNGEO-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1C 682509 XXKVOGDTMTZEFT-NSHDSACASA-N 372.679 5.670 0 40 FKAB COc1ccc(C2=Nc3ccccc3N=C(C(F)(F)C(F)F)C2)cc1 1100785 LMRGYWXXCXLVCM-UHFFFAOYSA-N 350.315 5.193 0 40 FKAB Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)CCC3 1339915 MFADRCQAABXHDJ-UHFFFAOYSA-N 362.498 5.071 0 40 FKAB O=C(Nc1ccc(F)cc1)c1sc(-c2ccccc2)nc1C(F)(F)F 1385575 ULCUTEFVOFVXHD-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](c1ccccc1)C1CCCC1 2056994 RYUFWEGNPLISHE-VWLOTQADSA-N 367.492 6.170 0 40 FKAB COc1cccc(-c2nc(Oc3ccc(C)cc3)c3ccccc3n2)c1O 2404898 MIPONSWSYUTNPI-UHFFFAOYSA-N 358.397 5.112 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2n1 2632642 WKLZWSBWBWURPY-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB CCCOc1ccc(-c2cc(C)nc(-c3ccc(OCCC)cc3)c2)cc1 2677411 YJHYTPZGPHILRJ-UHFFFAOYSA-N 361.485 6.302 0 40 FKAB Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C 2762277 KDZMTOLWOYMQLF-UHFFFAOYSA-N 353.421 5.738 0 40 FKAB Cc1ccc(OCCOc2ncnc3scc(-c4ccccc4)c23)cc1 3304673 GIWVSQRMTKLOIQ-UHFFFAOYSA-N 362.454 5.125 0 40 FKAB O=C(OCc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 3339921 QKTUHYGDZMVIEJ-UHFFFAOYSA-N 370.370 5.581 0 40 FKAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCCCC 3875990 HGWAKQDTQVDVRP-FFXXTYGZSA-N 354.575 6.338 0 40 FKAB CCCCC(=O)OCC1(COC(=O)CCCC)[C@@H](C)CC(C)=C[C@H]1C 4023597 XDMBDIBUEQTDBG-MSOLQXFVSA-N 352.515 5.062 0 40 FKAB biogenic CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5383267 XYGMEFJSKQEBTO-PSRAAJKCSA-N 364.913 5.017 0 40 FKAB biogenic CC(C)Cc1nc2oc3c(NCc4ccccc4)ncnc3c2c2c1CCC2 5423486 KPFVDSJCPLSPOK-UHFFFAOYSA-N 372.472 5.070 0 40 FKAB CCn1c(SCc2c(F)cccc2F)nnc1-c1cccc(Cl)c1 5478537 BCGKSGBPCXUJTE-UHFFFAOYSA-N 365.836 5.189 0 40 FKAB CCOc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 6156098 LNZQPSHXNBFFNQ-UHFFFAOYSA-N 366.269 5.859 0 40 FKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nccs2)cc1 7684215 FRHACJPFKDYDDI-UHFFFAOYSA-N 362.376 5.010 0 40 FKAB COc1ccc(-c2nc(-c3cc(C)n(C4CC4)c3C)cs2)cc1OC 9386441 VLASISIGTCJFAC-UHFFFAOYSA-N 354.475 5.248 0 40 FKAB O=C(Nc1cc(F)ccc1F)[C@@H](Sc1ccccc1)c1ccccc1 12790993 KEZHXJITEVZXNM-IBGZPJMESA-N 355.409 5.437 0 40 FKAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 14784316 VRAWVDYOSGCROV-UHFFFAOYSA-N 367.301 5.244 0 40 FKAB Clc1ccc(COc2ccccc2CNCc2ccccc2)c(Cl)c1 16480155 UQBSKYZXLSUCBM-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(-c3nnc(S)n3C)c2c1 17076676 DECBZOKEYFIAOL-UHFFFAOYSA-N 374.513 5.418 0 40 FKAB CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccn1)c1ccc(F)cc1 19142434 BXZWUECLOYRKJW-GOSISDBHSA-N 366.373 5.375 0 40 FKAB CC(C)Oc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19450947 UUCLUOYKZWYDGU-SFHVURJKSA-N 358.532 5.065 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(C)C)cc2)o1 28237969 BEBBOHYLZPKRCG-UHFFFAOYSA-N 365.429 5.243 0 40 FKAB CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623592 KUMHUYMNMWZOEC-UHFFFAOYSA-N 369.852 5.432 0 40 FKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1c1cc(C)nc(-c2ccncc2)n1 72280816 AZIBCNRCPOKMJF-RTWAWAEBSA-N 358.489 5.010 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CSc1ccccc1C(N)=O 90628555 GZTMFRUGZMZCRD-ILUNCUQESA-N 357.563 6.297 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1Cl)CC2 95950286 RXUNUZLRNBSQSD-XFXZXTDPSA-N 370.235 5.727 0 40 FKAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccccc1 222714667 OSFQSEDOXRIOLT-GFCCVEGCSA-N 354.302 5.104 0 40 FKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 224746865 LZUVMOYZBDICGJ-UHFFFAOYSA-N 351.833 6.001 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OCC 225063404 RSCXSALAPALWNL-INIZCTEOSA-N 369.505 5.273 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 225332129 IQIJCRNPJWTACF-GOSISDBHSA-N 366.288 5.202 0 40 FKAB FC(F)(F)c1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225543447 QOLHLGWYSSYJQN-UHFFFAOYSA-N 372.843 5.278 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2ccccc12 225833726 GWOUWIVKAQZEEG-HXOBKFHXSA-N 369.505 5.553 0 40 FKAB Brc1ccc2nc(-c3ccc4c5c(cccc35)CC4)sc2c1 226296139 NSDPYOYCOMDXNB-UHFFFAOYSA-N 366.283 5.978 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 248332404 IRMKYIKRTDTRSN-VRIGVRMUSA-N 361.485 5.387 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccccc1 408560741 DZXCKQCQVJFZSM-FCQUAONHSA-N 364.514 5.239 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1Cl 409109873 NBBGMXSRQUKHHO-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Clc1ccccc1NCc1ccc(OCc2cccc3ccccc23)cc1 409179821 TZOGTEVFQMXJGD-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4C)c3C)nc2c1 1413933 AJLHLPOQVUOMOX-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB C[C@@]12C(c3ccccc3)=C(c3ccccc3)[C@@H](c3ccccc31)[n+]1ccccc12 1564564 IHHJUAPMWDWYNN-VSGBNLITSA-N 372.491 5.808 0 40 FKAB CCCSc1nc(SC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2220273 HOMYQSUHMPIEHF-UHFFFAOYSA-N 368.593 5.545 0 40 FKAB CC(C)Oc1ccc(-c2nc(N3CCC[C@H](C)C3)c3ccccc3n2)cc1 2225114 OPVKWENHMARYRK-KRWDZBQOSA-N 361.489 5.320 0 40 FKAB CCC(=O)N(CC(C)(C)C=C=C(C)CCC=C(C)C)c1cccc(OC)c1 4024049 NUZNWKXAQKKACO-UHFFFAOYSA-N 369.549 6.312 0 40 FKAB biogenic O=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1ccccc1 4063867 GFVBPDVQAUJJNQ-UHFFFAOYSA-N 371.465 5.806 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 4666308 HYWAYCIRDZDJAS-IBGZPJMESA-N 357.497 6.361 0 40 FKAB CCOc1ccc(NC(=S)Nc2ccc3c(c2)oc2ccccc23)cc1 4949787 FUDQGCALKMTDOL-UHFFFAOYSA-N 362.454 5.794 0 40 FKAB CC(C)CC[C@@]1(CCNCc2ccc(Cl)cc2)CCOC(C)(C)C1 5518155 IITNGOXQLLLQSD-OAQYLSRUSA-N 351.962 5.831 0 40 FKAB CC1(C)CC(Nc2ncnc3sc(-c4ccccc4)cc23)CC(C)(C)N1 6602688 SPFRNUBNNKKWNZ-UHFFFAOYSA-N 366.534 5.079 0 40 FKAB Cc1ccc(NC(=O)c2cc3ccccc3o2)c(C(=O)c2ccccc2)c1 7613696 KBKDEXUZZDLWKE-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 8266982 SCKVRXKMCIGTEP-SNVBAGLBSA-N 358.816 5.406 0 40 FKAB Cc1ccccc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 8571006 HPMJCMIKMZPZOQ-UHFFFAOYSA-N 361.224 5.919 0 40 FKAB CC1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 10372804 WCWSTTXWLWJTBS-UHFFFAOYSA-N 362.517 5.373 0 40 FKAB CSc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 12775171 KKWNNQMUKRSSIA-UHFFFAOYSA-N 370.499 5.005 0 40 FKAB O=C(CCc1ccccc1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 12790584 WRKRFHYVDZNXJB-FQEVSTJZSA-N 374.509 5.110 0 40 FKAB CCc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)cc1 12943328 WCAHOQBDTTWYGF-UHFFFAOYSA-N 363.442 5.002 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1 14042493 DZUQODKQBLLTIU-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)c(Cl)c1 20893853 QGHPGBDBLKMKJP-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB COc1ccc(CCNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 22107485 YPETVBMNHNFLSJ-UHFFFAOYSA-N 359.828 5.080 0 40 FKAB CCC(C)(C)[C@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C1 22459998 ZFOIXXZJKJJXAJ-KRWDZBQOSA-N 363.932 7.096 0 40 FKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccccc2C(F)(F)F)cc1 35671941 LLJXXNIYCDVRKX-UHFFFAOYSA-N 360.335 5.230 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)c(C)c1 38651978 ILSYQWUNARLERC-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)CCCC2 39897733 CEWCSZWABSMJQZ-UHFFFAOYSA-N 353.771 5.490 0 40 FKAB Cc1ccc(-c2nnc([C@@H](C)Nc3c(C)nn(-c4ccccc4)c3C)o2)cc1 55471465 OPJQNANCCDNTQC-MRXNPFEDSA-N 373.460 5.021 0 40 FKAB Cc1ccc2cccc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2n1 57313200 PSDUQFCLRRNOQX-UHFFFAOYSA-N 374.484 5.608 0 40 FKAB C[C@H](NC(=O)CSCCCc1ccccc1)c1ccc2ccccc2c1 58014154 KVIQTBMOWZTHAC-SFHVURJKSA-N 363.526 5.383 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80345012 UDQZCNMIBXOOCA-GJZGRUSLSA-N 374.189 5.754 0 40 FKAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 101214977 UESRSGGAWUCSIK-UNMCSNQZSA-N 373.887 6.144 0 40 FKAB C[C@@H]1Oc2c(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cccc2[C@H]1C 103282048 DTXIBQQLTJRPHS-MJBXVCDLSA-N 366.486 5.014 0 40 FKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 106957964 XOWSLNIIICUWHW-UHFFFAOYSA-N 361.485 5.812 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 107031206 FSPVBQVYUSSAMH-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219325037 TWNNOSBDYUADHR-WOJBJXKFSA-N 359.897 5.382 0 40 FKAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC)c(C)c1 224460945 KOJNKGAPZAEWKE-FQEVSTJZSA-N 369.505 5.082 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225867198 XMFWJCUHFBQIIL-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1Cl 408822424 BPMKLUKIBRVIIA-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408993967 DXXONJSEWHPLIJ-OZTQZWFPSA-N 363.457 5.080 0 40 FKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1OC 409111082 BNZSBHKSRJKUIU-UHFFFAOYSA-N 364.283 5.031 0 40 FKAB Cc1ccc(C)c(NCc2ccccc2OCc2ccc(C(=O)O)cc2)c1 409118371 PLKOJDIJJSADOI-UHFFFAOYSA-N 361.441 5.193 0 40 FKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2)cc1 409246309 ASFBPPQWZVJKLJ-PDGQHHTCSA-N 369.511 5.591 0 40 FKAB C[C@@H](CC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)CC(C)(C)C 575361280 WJVBVFSMZIVFKQ-JTQLQIEISA-N 354.334 6.369 0 40 FKAB Ic1ccc(Oc2ccccc2-c2ccccc2)nc1 685937886 YZDDOWVNSWZHRT-UHFFFAOYSA-N 373.193 5.146 0 40 FKAB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cccnc2)cc1 717920 MPFPZIJBXYKDIG-UHFFFAOYSA-N 372.346 5.453 0 40 FKAB Fc1ccc(Cc2cnc(Nc3ccc(Br)cc3)s2)cc1 953106 FSPRFVBEZZNWLX-UHFFFAOYSA-N 363.255 5.379 0 40 FKAB Cc1cc(SCC(=O)c2ccc(OC(F)F)cc2)nc2ccccc12 1465763 COMXRWLRADDNGY-UHFFFAOYSA-N 359.397 5.120 0 40 FKAB O=C(C[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1)c1ccccc1 1705925 YEANANYGJKAFAG-OAQYLSRUSA-N 353.421 5.002 0 40 FKAB in-vitro C[C@@H](/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1 1712857 ZIBMZYVKNSKPBU-JDGPPOGSSA-N 366.096 6.029 0 40 FKAB Clc1ccc(-c2csc3ncnc(NCCc4cccs4)c23)cc1 1746315 KMIVFQBBUBJCRS-UHFFFAOYSA-N 371.918 5.728 0 40 FKAB C[C@H](NCC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 1836234 RWXOIELWFZDPDK-NKKJXINNSA-N 365.561 5.791 0 40 FKAB biogenic Cc1cc2c(cc1C)CSC(c1c(O)ccc3ccccc13)SC2 2060211 XNFQEPQAXDDBTN-UHFFFAOYSA-N 352.524 6.341 0 40 FKAB aggregator CCCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 2720682 VXUOAOUJJOPAES-UHFFFAOYSA-N 363.486 5.068 0 40 FKAB Cc1cccc(CCCCCCCCCCCc2nc3ccccc3[nH]2)c1 3066275 YIGDCQNHEOKJHC-UHFFFAOYSA-N 362.561 7.167 0 40 FKAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 3093667 YTQWSRNRVZDERD-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB Cc1ccc(Cl)cc1N[P@@](C)(=O)Oc1ccc(Cl)cc1Cl 3154604 ZYIPPXDOILERRA-NRFANRHFSA-N 364.596 6.269 0 40 FKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 3897020 LFQVCFZVMJZYEN-UHFFFAOYSA-N 352.459 5.241 0 40 FKAB CCCCCn1c(NCc2ccc(Br)cc2)nc2ccccc21 4114824 IHPJRQACSJEJTC-UHFFFAOYSA-N 372.310 5.601 0 40 FKAB Cc1ccccc1COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340398 XIWXKYVSKVMRCQ-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB biogenic CCCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5714779 JWZCBRNNDGHJRJ-UHFFFAOYSA-N 371.786 5.329 0 40 FKAB C[C@@H](C(=O)Nc1ccc(O)cc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419067 PWFWNVNUKMCENP-GFCCVEGCSA-N 364.832 5.422 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 11473508 LGMZOBFZJOLOPR-HNNXBMFYSA-N 366.436 5.566 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cc(C)ccc3C)s2)cc1 12862533 QQYNATXAJLAXSC-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 13736150 UJXBUVCDXADSNX-UHFFFAOYSA-N 367.861 5.506 0 40 FKAB CSc1ccc([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 20025317 AMMCJGNGUJDFKT-KRWDZBQOSA-N 361.510 5.418 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(C(C)C)cc1 22237699 IFGNYOJPWWNTLO-UHFFFAOYSA-N 365.502 5.595 0 40 FKAB O=C(NCc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1 22479681 RTDKYIKJYPAHCJ-UHFFFAOYSA-N 367.405 5.017 0 40 FKAB CCCCNc1nnc(SCc2coc(-c3ccc(C)cc3C)n2)s1 24833485 VMFCWATWLHWEPI-UHFFFAOYSA-N 374.535 5.314 0 40 FKAB CC(=O)c1cccc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c1 25432633 CRHDUHVPMDXDOE-UHFFFAOYSA-N 359.425 5.029 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1 28231214 KJBIBPGRMAIWDG-UHFFFAOYSA-N 357.356 5.006 0 40 FKAB Clc1ccc(COc2ccccc2CNc2ccccc2Cl)cc1 33680114 JRFZREZVAWMQSY-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(OC)c3)c2c1 46086198 PLGYZIVJGOTEIE-UHFFFAOYSA-N 353.418 5.181 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 58839971 RRFNTZXMEAZUML-NSHDSACASA-N 357.759 5.073 0 40 FKAB c1ccc(-c2nnn3c2nc(NC2CCCCCC2)c2ccccc23)cc1 67262171 YUAPFKOVWAABIX-UHFFFAOYSA-N 357.461 5.079 0 40 FKAB c1ccc(CN2CCCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 72217687 SMHULYPLIIIDMB-JOCHJYFZSA-N 360.526 5.960 0 40 FKAB Brc1cccc(-c2nc3ccc(Br)cc3s2)c1 73638908 JXXWUCLWUFNHKD-UHFFFAOYSA-N 369.081 5.488 0 40 FKAB CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1 79060583 RVKYFZOVKUQFOT-LSDHHAIUSA-N 360.548 5.400 0 40 FKAB CSc1ccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc1 96861792 HRUSWVQJFXRBEK-SQFISAMPSA-N 369.511 5.814 0 40 FKAB CC(C)C(NC(=O)c1cc(Cl)ccc1OCc1ccccc1)C(C)C 219762568 VWAUAODCBGQBNY-UHFFFAOYSA-N 359.897 5.329 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222996618 AKXNMOPWBYZDGB-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB CC1(C)COc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2OC1 225359990 RKUPPFXZMVBWRZ-UHFFFAOYSA-N 366.244 5.043 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC)c3ccccc23)CCC[C@H](C)C1 225855665 DWDPDNLCSDFXRI-KSFYIVLOSA-N 355.478 5.162 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225862976 PLHJIWPKMMLWMQ-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB Nc1c(-c2ccc(Cl)cc2)cnn1-c1c(Cl)cc(Cl)cc1Cl 408947719 DALNTONEJJQCKI-UHFFFAOYSA-N 373.070 5.735 0 40 FKAB Clc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1 409180394 WWRJTKQUBPQDSO-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(OC)cc1 702217 LXUOJHWGYBDXDN-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB COc1ccc(-c2cc(C(=O)OCC(C)C)c3cccc(Cl)c3n2)cc1 992742 PVSCFERBDPVPLK-UHFFFAOYSA-N 369.848 5.377 0 40 FKAB CC(C)C(=O)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1337739 FRXYGBLPMQAAIB-UHFFFAOYSA-N 363.486 5.099 0 40 FKAB FC(F)(F)c1cccc(-c2nnc(-c3csc(-c4ccccc4)n3)o2)c1 1391500 PIAPXRXMEZLOJK-UHFFFAOYSA-N 373.359 5.546 0 40 FKAB CCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)Nc2ccccc21 1902041 UOZNFQGLDVSMHC-GCJKJVERSA-N 350.506 5.935 0 40 FKAB CCC[C@@H](C)NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2105797 PXFVPPJPFKKIEU-CQSZACIVSA-N 366.892 5.782 0 40 FKAB CC(C)CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2251839 UPXJXIIRONSVNP-UHFFFAOYSA-N 371.575 5.990 0 40 FKAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc2ccccc12 2305585 AFDWSOJJQQWIHD-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1Cl 2325126 RAPCRIPLYHGCHR-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 2447903 XIFJFEKYUMVUPR-UHFFFAOYSA-N 356.303 5.143 0 40 FKAB Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1 2569355 RPPNJBZNXQNKNM-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1 2765361 KRVMGNWQCMYHMN-UHFFFAOYSA-N 354.321 6.101 0 40 FKAB Clc1ccc(Sc2ncccc2-c2nc3cc(Cl)ccc3o2)cc1 3051104 QIPKROGQSQVJEP-UHFFFAOYSA-N 373.264 6.348 0 40 FKAB O=C(OCc1cccs1)c1ccc(-c2nc3ccccc3s2)s1 3299240 IBUFOXIYNFWCGI-UHFFFAOYSA-N 357.481 5.443 0 40 FKAB Cc1cc(OCc2c(C)c(C)cc(C)c2C)c2c3c(c(=O)oc2c1)CCC3 4151934 IOJKFRVFQWYOSX-UHFFFAOYSA-N 362.469 5.403 0 40 FKAB O=C(NCCc1ccc2oc3ccccc3c2c1)Nc1cccc(Cl)c1 4788760 JIRSKUIOFBZMKF-UHFFFAOYSA-N 364.832 5.604 0 40 FKAB COc1ccccc1/C=C/c1nc2ccccc2n1[C@@H](C)c1ccccc1 5248996 NJJMRZYIRZSBFW-GVJQPLCZSA-N 354.453 5.825 0 40 FKAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccccc1C(F)(F)F 5638209 OMCSFHYGISJYDF-UHFFFAOYSA-N 368.786 5.211 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C)c1CC 6123492 ZULOFKXLYGCKBQ-UHFFFAOYSA-N 373.518 5.345 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 6272103 PUXWUPKQZJTBMK-UHFFFAOYSA-N 361.285 5.593 0 40 FKAB Cc1ccc(Cl)c(Oc2ncnc3scc(-c4ccccc4)c23)c1 6596954 UIAUPABPVNRVHU-UHFFFAOYSA-N 352.846 6.112 0 40 FKAB CC(C)N[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 6638866 MZJHAWOTDKNKOP-INIZCTEOSA-N 370.802 5.037 0 40 FKAB C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)c1nnc(-c2ccccc2)o1 8216354 KKPZGLGQJQVLDK-SNVBAGLBSA-N 356.838 5.120 0 40 FKAB Clc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 9334453 ZZYJOYVBDSRXKV-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB O=C(c1ccccc1Cl)N1c2ccccc2Sc2ccc(Cl)cc21 12020351 SCOSRTKILOSIOK-UHFFFAOYSA-N 372.276 6.437 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 12401504 QMSYBJQICPIOSF-TVGZPFHWSA-N 353.550 5.321 0 40 FKAB Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 12494315 WYBSOZADVBBZEZ-UHFFFAOYSA-N 371.465 5.312 0 40 FKAB Cc1ccc(/C=C2\C[C@@H](C)CC3=C2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 13496600 ZNYUDPJGWDILSJ-GGYPHYNPSA-N 374.553 5.590 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 13670785 MMWGYWSWYYMPTN-SFHVURJKSA-N 373.521 5.879 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc4ccc(C)nc34)sc2c1 15835315 UJQBOEKOFOMAPU-UHFFFAOYSA-N 366.873 5.972 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)cc3)o2)cc1Cl 16313097 JCVYWGQZDSUSIB-PKNBQFBNSA-N 372.251 6.214 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577047 XENHHRZZYCHUDT-UHFFFAOYSA-N 370.468 5.247 0 40 FKAB Cc1cc2occ(CC(=O)OCc3csc(-c4ccco4)n3)c2cc1C 25438253 PJONKXVXIRKCQR-UHFFFAOYSA-N 367.426 5.052 0 40 FKAB Cc1ccccc1[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 30865673 VNAXYXHQSBLKHK-XMSQKQJNSA-N 361.510 5.381 0 40 FKAB CCN(Cc1cccs1)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 32722442 ZOKBEUMWFKBHDT-OAHLLOKOSA-N 353.487 5.062 0 40 FKAB O=C(NCc1ccccc1)Nc1ccc(NCc2ccccc2)c(Cl)c1 58004790 DKEBMCVSXBTLJK-UHFFFAOYSA-N 365.864 5.274 0 40 FKAB Clc1cc(Br)ccc1-c1ccc(-c2nc3ccccc3[nH]2)o1 85345372 NRMINPUPICDRGN-UHFFFAOYSA-N 373.637 5.906 0 40 FKAB Cc1ccccc1-c1nc(C)c(CNC(=O)Nc2ccccc2Cl)s1 96096722 KVQRWLWGNPGPKQ-UHFFFAOYSA-N 371.893 5.402 0 40 FKAB C[C@@H](OC(=O)c1cc(N)ccc1Cl)c1ccc2c3c(cccc13)CC2 216850869 UWPPNZUSBZIKAC-GFCCVEGCSA-N 351.833 5.092 0 40 FKAB CCOc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1Cl 222551058 TZDQYQLMZGDOFP-UHFFFAOYSA-N 359.897 5.225 0 40 FKAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222972189 HCWRPHBARAZFEI-INIZCTEOSA-N 359.469 5.218 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C(C)C 223376785 YORLRAHSWJJNSI-OAHLLOKOSA-N 359.897 5.200 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225564042 MXKMQTCIQYWTLF-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cc2ccccc2s1 225617310 LVBFOWKLMQBSCD-UHFFFAOYSA-N 366.511 5.144 0 40 FKAB C1=C[C@H]2[C@H](CC[C@H]3[C@@H]4C=CC=C[C@@H]4[C@@H]4C=CC=C[C@H]34)[C@@H]3C=CC=C[C@H]3[C@H]2C=C1 299888299 DMENCZPZLSKLMQ-MTYPNXLRSA-N 366.548 6.460 0 40 FKAB c1ccc(CCSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 409102946 WVAMXGUGJYECEA-UHFFFAOYSA-N 371.509 5.193 0 40 FKAB CCOc1ccc2ccccc2c1CNc1ccc(Oc2ccccc2)cc1 409112408 CMUDTJINAHXNBF-UHFFFAOYSA-N 369.464 6.643 0 40 FKAB Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1 409134052 VMTSNVRQNMKUGJ-YVLHZVERSA-N 372.877 5.334 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 831507 VAMQZHMKGSNCHH-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(OC2CCCC2)c1 1100762 XOOKCEXUSFSYBH-UHFFFAOYSA-N 361.441 5.829 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4)c3)oc2c1 1413991 GAHOHLJHGQRERQ-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)c2C(=O)O)cc1 2276230 DYPJZOSLNGEDDS-UHFFFAOYSA-N 371.845 5.327 0 40 FKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(Cl)c2c1C 3445951 UPZHSSICCYRKHW-UHFFFAOYSA-N 355.315 5.907 0 40 FKAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 4753381 BYZCIPPIWJBUDM-UHFFFAOYSA-N 356.516 5.370 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccco2)nc2ccccc12 5904380 BHONAUMVMXYWPW-UHFFFAOYSA-N 372.468 5.193 0 40 FKAB COc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 6152152 KVRHRZOMOQQOSG-UHFFFAOYSA-N 363.482 5.157 0 40 FKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(Cl)cc2)n1 6464090 LPVWKXDNHBGUNR-UHFFFAOYSA-N 366.273 5.079 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccccc1F 7522930 JQAMPIUSPRGMHX-UHFFFAOYSA-N 371.496 5.616 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCCCC2)cc1 10335287 LURRWNBCWUXDHZ-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB Cc1c(C(=O)N(Cc2ccco2)c2ccccn2)oc2ccc(Cl)cc12 15669852 TZEFMNCCHHLWNN-UHFFFAOYSA-N 366.804 5.230 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(CC)cc2)nc2ccc(Cl)cc12 15829204 QQBOLQRGBIYBOM-UHFFFAOYSA-N 354.837 5.102 0 40 FKAB Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1[C@@H](O)CC(C)(C)C2 16740268 SAVZTUWUBWEQFI-LBPRGKRZSA-N 373.499 5.136 0 40 FKAB Cc1ccsc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 19320682 SJJFMFSPKSKAJO-UHFFFAOYSA-N 362.542 5.463 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(Cl)cc1 19933176 RERPFPYLSSGKMP-OAQYLSRUSA-N 367.876 5.309 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 19933773 XUKHUHNZUKFLGB-OAQYLSRUSA-N 353.506 5.510 0 40 FKAB CC(C)Oc1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 20453875 NIHXSJRAXPMYFP-JJIBRWJFSA-N 371.480 5.331 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(F)cc23)cc1 21017395 RZSLFANHKDGUQV-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1Nc1cc(C)cc(C)c1 27584845 XLISHHYXYREDCZ-UHFFFAOYSA-N 370.500 5.936 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 27907278 VNPIBOKFDDDEDS-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(CNCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 28428356 QGVYDGFCHSLCGG-UHFFFAOYSA-N 374.915 5.941 0 40 FKAB FC(F)c1cc(-c2ccc(Cl)cc2)nc(NCCc2ccccc2)n1 36614042 XVEMCQQMPRSXPM-UHFFFAOYSA-N 359.807 5.389 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 38755660 QZHJLHIBSZONJQ-NRFANRHFSA-N 373.496 5.300 0 40 FKAB Clc1ccc(CSc2nncn2CCc2cccs2)c(Cl)c1 58474041 XUUWGCWNOJZUBE-UHFFFAOYSA-N 370.330 5.181 0 40 FKAB CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1OC 106956470 IFNSHTNIYVVPLV-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 223007597 RYDOQXRTCMNTPI-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 223684099 PCOBCIKMBGGPEC-KNQAVFIVSA-N 367.533 5.789 0 40 FKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(C(C)C)cc1 225599846 VMUOFRUIJUZVQN-UHFFFAOYSA-N 372.603 5.728 0 40 FKAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C(C)C 225661548 PKZZIEDRMCZFPT-QGZVFWFLSA-N 367.533 5.916 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1C 225756257 KOQFQNNYBWGAQK-INIZCTEOSA-N 363.324 5.195 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(C)c2)c2ccccc2)c(C)c1 225767008 FTBCVKCQMBWWSJ-QHCPKHFHSA-N 374.553 5.996 0 40 FKAB CCOc1ccccc1NC(=S)NC1(c2ccccc2Cl)CCCC1 225847760 PTCDMXSKHNHWAN-UHFFFAOYSA-N 374.937 5.495 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1N1CCCCC1 408572508 IVOKHDFIHAVTHW-JQIJEIRASA-N 372.468 5.589 0 40 FKAB Oc1nc(-c2c(F)cccc2Cl)nc2sc3c(c12)CCCCCC3 408988079 GUTVIEFCCHZNMH-UHFFFAOYSA-N 362.857 5.515 0 40 FKAB O=C(C1CCCCC1)n1ccc(-c2ccc(-n3cnc4ccccc43)cc2)n1 1390325 GKJVGMDAQCCQHM-UHFFFAOYSA-N 370.456 5.110 0 40 FKAB C[C@H](CCc1ccc(OC(=O)c2ccccc2)cc1)OC(=O)c1ccccc1 1680263 NCAAUHIYNZZUAB-GOSISDBHSA-N 374.436 5.084 0 40 FKAB COc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 1808633 UAAASHFHWZOVDS-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB Cc1ccc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 1913968 SHNYKFHXQLWMJS-UHFFFAOYSA-N 373.496 5.368 0 40 FKAB Cc1ccc(Cl)cc1N1COc2c(cc3c(C)c(C)c(=O)oc3c2C)C1 2123003 SHBAEQBTHPWRPY-UHFFFAOYSA-N 369.848 5.037 0 40 FKAB CCCCn1c(SCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2232682 PNWKIWLEQDXDJF-UHFFFAOYSA-N 368.546 5.190 0 40 FKAB CC[C@@H](C)n1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2426465 MVHWFFPTCLFIOI-OAHLLOKOSA-N 358.489 5.915 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 2919401 SROIRMSKGBQSJU-OALUTQOASA-N 352.869 5.201 0 40 FKAB CSCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccncc2)n1 3105286 TZLZYDVFTJMBOD-UHFFFAOYSA-N 359.907 5.206 0 40 FKAB CSc1ccc(Cl)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 3340716 MXAHERHSOIXRQZ-UHFFFAOYSA-N 361.938 5.632 0 40 FKAB Cc1ccc2nc(-c3ccc(C)s3)c(Nc3ccc(Cl)cc3)n2c1 3909934 BFGKSLQBMJKPJY-UHFFFAOYSA-N 353.878 6.077 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 4026273 CRRKVZVYZQXICQ-IUWQRJJKSA-N 358.522 5.086 0 40 FKAB biogenic Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)N2 4501945 BOFFBAMTOAUKNR-MRXNPFEDSA-N 358.850 5.132 0 40 FKAB COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1c1ccccc1F 4546889 RJBDIYURXOYOAJ-OAQYLSRUSA-N 364.395 5.329 0 40 FKAB Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccc(Cl)cc1Cl 4624276 SYEZDFKKHKXJLN-UHFFFAOYSA-N 373.268 5.078 0 40 FKAB c1ccc(-c2ccc(OCc3nnc(Cc4cccs4)s3)cc2)cc1 4690207 AXSMINOJMAZVSZ-UHFFFAOYSA-N 364.495 5.436 0 40 FKAB COc1ccc(-c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1 4723628 XDGLLCCRBOKMCB-UHFFFAOYSA-N 369.346 5.091 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 4828769 FIWPMZXDLSBTPB-FBBABVLZSA-N 351.515 5.206 0 40 FKAB CSc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)oc1C 5033256 KXPLFJNNXHDUPF-UHFFFAOYSA-N 357.862 5.883 0 40 FKAB CCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 5172166 YSOUPQIJMLZWIL-UHFFFAOYSA-N 354.409 5.141 0 40 FKAB CCc1ccc(C2=NN=C(c3ccccc3)C=C(c3ccccc3)C2)cc1 5719378 GIWBWUHIQYUEPF-UHFFFAOYSA-N 350.465 5.930 0 40 FKAB CC1(C)C(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1(C)C 5727657 RGNGWNUESDECFV-UHFFFAOYSA-N 355.865 5.192 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 5757034 XDFBGTMOPTYSMQ-UHFFFAOYSA-N 357.759 5.157 0 40 FKAB Cc1nnc(-c2ccc(Cl)cc2)c2cn(-c3cccc(Cl)c3)nc12 5792663 IYCXIWBHKZSUBB-UHFFFAOYSA-N 355.228 5.098 0 40 FKAB COc1ccc(NC(=S)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 6332185 XOSDKEQLHLHLFE-UHFFFAOYSA-N 364.470 5.605 0 40 FKAB CCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 7262320 XUSULIMZSYKPOE-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 8471507 VHMWFGLPLJWNEP-UHFFFAOYSA-N 351.833 5.704 0 40 FKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCCc1ccccc1 8535318 YULUCXXRIQZOSP-LJQANCHMSA-N 361.485 5.168 0 40 FKAB CC(C)=CCC/C(C)=C/CC(C)(C)[C@H]1OCCN1C(=O)Nc1ccccc1 9434498 UFUBSTZXCQBWGH-CKNGIZQFSA-N 370.537 5.986 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(SCc2cscn2)cc1 12819744 AWVSVOSHXUJFRS-UHFFFAOYSA-N 354.500 5.305 0 40 FKAB CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 12873215 MHJKKMDBUWIGLH-UHFFFAOYSA-N 364.420 5.020 0 40 FKAB Cc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc(C)c1OC(F)F 13096652 HGGZTMZIYZWRNC-BQYQJAHWSA-N 369.367 5.322 0 40 FKAB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2cc(F)cc(F)c2)C1 14607131 OJZLGNYAPDNIFA-SFHVURJKSA-N 355.363 5.361 0 40 FKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2c(C)noc2C)cc1 14818568 GEBWYYSFMGRWQN-UHFFFAOYSA-N 356.809 5.298 0 40 FKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccccc3)n2)c1 17073598 KJCCWCWQGKYTJU-UHFFFAOYSA-N 356.425 5.224 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(C)c1 20458246 WZTSQRMUZVKDMI-UHFFFAOYSA-N 356.469 5.118 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2c(F)cccc23)cc1 21017511 COERGRNOOCSGEG-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Brc1ccccc1SCc1csc(-c2ccccn2)n1 25078556 ONZMIGQDRGSENF-UHFFFAOYSA-N 363.305 5.260 0 40 FKAB Fc1ccc2nc(-c3cccc4c(Br)cccc34)sc2c1 45919995 IEHDMBGCZZQFCO-UHFFFAOYSA-N 358.235 6.018 0 40 FKAB Cc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1F 48332904 ZLTVIQQOIAWVBN-UHFFFAOYSA-N 365.473 5.595 0 40 FKAB C[C@@H]1CCCCCN1C(=O)Nc1cccc(CSc2ccccn2)c1 72285063 GEAQPSKUXSANDJ-MRXNPFEDSA-N 355.507 5.170 0 40 FKAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(C)cc1 225355660 PRGWTEVUDGZMGK-SFHVURJKSA-N 350.289 5.502 0 40 FKAB CCc1ccc(NC(=S)NCCCSCc2ccccc2C)cc1 225600379 XCOZZBGPRMPLPK-UHFFFAOYSA-N 358.576 5.167 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c2ccccc12 225847127 GODXIFHOSQUYKB-QHCPKHFHSA-N 371.521 5.943 0 40 FKAB CCc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1 225850513 RTFXLBIVBMOBIT-UHFFFAOYSA-N 366.574 5.789 0 40 FKAB Cc1cc2nc(-c3ccc(OCc4ccccc4Cl)cc3)oc2cc1C 226295163 XITMLIQDJLPYLU-UHFFFAOYSA-N 363.844 6.344 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1 408622603 PJPONMQAIYJQMX-UHFFFAOYSA-N 366.873 5.972 0 40 FKAB COc1cc(C=O)c(Br)cc1OCc1ccc2ccccc2c1 408854175 ZAYPFRBWDAVBRD-UHFFFAOYSA-N 371.230 5.002 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c1C 409116663 LHMZNWRFVZPCIJ-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 409120437 ZLYBMSUIBCTHHA-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)sc1-c1ccccc1 585152238 FITJNGOFZHPWOX-UHFFFAOYSA-N 365.454 5.016 0 40 FKAB CCc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1 672708 CLMGUNBWLIKSNL-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 682401 YPULMEZXWFNSMY-JTQLQIEISA-N 358.652 5.361 0 40 FKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CCC(C)C)c1 719672 NQQWZNDRMNZTIF-UHFFFAOYSA-N 350.506 6.093 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 816689 UGELPQPGAVMFIN-UHFFFAOYSA-N 358.157 5.029 0 40 FKAB Cc1cc(C)c(NC(=O)/C(Br)=C/c2ccccc2)c(Cl)c1 955803 GAMSSEUHTFWEPY-UVTDQMKNSA-N 364.670 5.331 0 40 FKAB CCOP(=O)(Nc1ccc2c(c1)Cc1cc(Cl)ccc1-2)OCC 1662438 DWLAYRHEOGVGCT-UHFFFAOYSA-N 351.770 5.504 0 40 FKAB Cc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c(C)c1 2062385 XUFRRQCTTBWGCQ-UHFFFAOYSA-N 366.383 6.328 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3c(C)ccc4ccccc34)sc2c1 2073036 QNIPHHTUQQDAON-UHFFFAOYSA-N 365.885 6.577 0 40 FKAB CCCCCCc1cc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2cc1O 2105787 YOWGEJICJCYWTE-UHFFFAOYSA-N 362.429 5.165 0 40 FKAB biogenic CCc1ccc(CCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)o1 2431620 NEJDNGRCEHKJKS-UHFFFAOYSA-N 374.893 5.114 0 40 FKAB C[n+]1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)cc1-c1ccccc1 3182184 SHTBCPUEULZIOI-UHFFFAOYSA-N 356.876 6.166 0 40 FKAB C[C@@H]1CCCC[C@H]1N(C(=O)c1ccccc1Cl)C1=NC(C)(C)CS1 3266681 QBUFMUTVTVOSTG-CZUORRHYSA-N 364.942 5.242 0 40 FKAB Cc1sc2ncnc(N3CCC[C@H]3c3nc4ccccc4s3)c2c1C 3459942 PBKXORUTZWQZNF-AWEZNQCLSA-N 366.515 5.259 0 40 FKAB O=C1c2ccccc2[C@](Cl)(c2ccc(Cl)cc2)c2ccc(Cl)cc21 4747927 DSZYAQXOZQKZIZ-HXUWFJFHSA-N 373.666 6.069 0 40 FKAB Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 5047434 NMXXDSQVAJLYGG-UHFFFAOYSA-N 365.458 5.089 0 40 FKAB CCCCn1c(C)c(C(=O)OCC)c2cc(OCc3ccccc3)ccc21 5250198 RXWCONVKZNDMCW-UHFFFAOYSA-N 365.473 5.506 0 40 FKAB O=C(CSc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 6124098 PBBRIWWCOKPCJH-UHFFFAOYSA-N 367.901 5.338 0 40 FKAB Cc1cc(C(=O)CSc2nnc(C3CCCCC3)o2)c(C)n1C(C)C 6374023 JJFWEUGEDIOUKZ-UHFFFAOYSA-N 361.511 5.092 0 40 FKAB Clc1ccc(-c2nnc(SCc3ccccc3Cl)o2)c(Cl)c1 6473831 VGSQIRMWEXOECW-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB Cc1cc2sc(NC(=O)COc3ccc(C(C)C)cc3)nc2cc1Cl 6826349 SXHBQRSCYXTKGD-UHFFFAOYSA-N 374.893 5.399 0 40 FKAB COc1ccc(-c2nnc([C@@H](C)Sc3nc4ccccc4s3)o2)cc1 7883996 YVYWKOLVKGSUJV-LLVKDONJSA-N 369.471 5.208 0 40 FKAB Cc1nc(COc2ccccc2C(=O)Nc2cc(Cl)ccc2C)cs1 7921461 YVAIUDWTGVQILV-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 8653727 UAWLKDYVFYUOBJ-QHCPKHFHSA-N 355.441 5.099 0 40 FKAB CC(C)c1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 10096271 PDZYXRMQCOMOAT-UHFFFAOYSA-N 364.470 5.007 0 40 FKAB CC(C)=CCc1ccc2c([C@H](C=C(C)C)c3ccc4cc[nH]c4c3)c[nH]c2c1 13365962 FNELRTTWUIVSEN-HSZRJFAPSA-N 368.524 7.256 0 40 FKAB biogenic,in-vitro C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Br 13689121 WSHVPAFHKWAIAT-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)cc1)C(C)(C)N2 17747722 RJKFPWYGMDDXSX-VZCXRCSSSA-N 368.527 5.687 0 40 FKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc2ccccc12 19943410 ULCOJIJAEUPYBP-UHFFFAOYSA-N 366.269 5.256 0 40 FKAB Cc1ccc(CN(C)C(=O)c2ccccc2SCc2ccccc2)cc1 20484062 SIGZSVXUBUVVGD-UHFFFAOYSA-N 361.510 5.560 0 40 FKAB Cc1ccc(-c2c(C(F)(F)F)nn3c(NC4CCCC4)cc(C)nc23)cc1 21799422 WXLIJRKMERYWPY-UHFFFAOYSA-N 374.410 5.386 0 40 FKAB Cc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ccccc2n1 24467860 LBAOSHAWPCDKLA-UHFFFAOYSA-N 370.374 5.155 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1Cl 27739859 ASKMHWQSHPZVBH-UHFFFAOYSA-N 359.853 5.696 0 40 FKAB CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30938227 KAQQSJYMCCRWOX-FQEVSTJZSA-N 368.496 5.019 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 32623185 IFFKSJOZAMZAIK-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB Cc1c(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)oc2ccc(Cl)cc12 58306581 GQSYZPSCMFIZOI-RBUKOAKNSA-N 369.848 5.045 0 40 FKAB C[C@]12CC3CC(NC(=O)c4sc5ccccc5c4Cl)(C1)C[C@](C)(C3)C2 101195920 SCKPRLCZDGUWQN-PKKWBYLYSA-N 373.949 6.034 0 40 FKAB Cc1cc(=O)oc2cc(NC(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)ccc12 102516475 MMTLCBKXLXTLOG-WBRDPVCSSA-N 365.473 5.037 0 40 FKAB O=C(Nc1ccccc1Cl)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 104245664 IZWQCYGTDFVOLL-DDHJBXDOSA-N 358.696 5.135 0 40 FKAB aggregator CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221681 JULLALWIOTYSSL-JLTOFOAXSA-N 373.949 5.577 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccccc2Cl)cc1C(C)C 223387603 ODQNKPYPVCOMLJ-HNNXBMFYSA-N 359.897 5.200 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224419270 LGXMMILWSAUZAR-HNNXBMFYSA-N 359.425 5.554 0 40 FKAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1Cl 225697333 WTYYCIJQQTVLFN-CQSZACIVSA-N 361.869 5.186 0 40 FKAB S=C(Nc1ccccc1)NC1(CCc2ccccc2Cl)CCCC1 225840477 ZWUGWKGYOHTIKC-UHFFFAOYSA-N 358.938 5.572 0 40 FKAB S=C(Nc1ccccc1Cl)NC1(CCc2ccccc2)CCCC1 225844316 HFPODRRPGCEURQ-UHFFFAOYSA-N 358.938 5.572 0 40 FKAB O=C(c1cc2c(ccc3ccccc32)o1)N1CCC(Cc2ccccc2)CC1 408615522 BIWFBBRILJAWAV-UHFFFAOYSA-N 369.464 5.681 0 40 FKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 409119216 RPSKAEKGDKZVCB-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCCc1sc2nc(SCC)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409122210 YUZMHXYABZWYHX-UHFFFAOYSA-N 372.559 5.437 0 40 FKAB c1ccc(CSc2nc3ccccc3n2CCOc2ccccc2)cc1 728865 WQRAXCHHOXBFNS-UHFFFAOYSA-N 360.482 5.408 0 40 FKAB Cc1sc2nc(SCCC(C)C)n(-c3ccccc3)c(=O)c2c1C 2183605 WESWWMGUMPLZHA-UHFFFAOYSA-N 358.532 5.202 0 40 FKAB O=c1[nH]c2ccc(NCc3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2[nH]1 2199934 ROOAIOWAKZSSFK-UHFFFAOYSA-N 374.227 5.035 0 40 FKAB CSc1nc2ccc(NC(=O)CCSc3ccccc3)cc2s1 2474966 RBXHDMQMNNIUIZ-UHFFFAOYSA-N 360.529 5.139 0 40 FKAB CC(C)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 2619668 IYRJDUSMGGOFFD-UHFFFAOYSA-N 368.483 5.208 0 40 FKAB Cc1cccc(Nc2ccccc2C(=O)NCc2ccc(Cl)cc2)c1C 3278344 WSMLTVZOABSPHE-UHFFFAOYSA-N 364.876 5.630 0 40 FKAB CCC[C@@H](C(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1ccccc1 3417000 XKUKRVUAAFJWSQ-GOSISDBHSA-N 364.514 5.949 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)c2cnn(Cn3ncc4c3[C@@H](C(C)C)CC[C@H]4C)c21 4671507 GSTLFXOMMNFYHO-NCXUSEDFSA-N 368.569 5.859 0 40 FKAB O=C(NC1CCCCCC1)c1cc2sccc2n1Cc1ccccc1 4971038 DCSLZFBWCOZHPW-UHFFFAOYSA-N 352.503 5.204 0 40 FKAB Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)cc1 5218685 FYLPTYIHZDCUCK-UHFFFAOYSA-N 356.425 5.337 0 40 FKAB Clc1ccc(-c2csc(N3CCC(c4ccccc4)CC3)n2)cc1 5773170 ANIDOTKDORBASV-UHFFFAOYSA-N 354.906 5.848 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c1 5863987 JHLTUEDGCUNEBY-UHFFFAOYSA-N 364.297 6.386 0 40 FKAB C[C@H](Sc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5873025 CWMKIJZLYRSZMS-JTQLQIEISA-N 359.800 5.478 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC 6350957 QDINFRFKKWIQAF-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB CC1(C)C[C@@](CCN2CCCCC2)(c2cccc(C(F)(F)F)c2)CCO1 6661178 LHJQDJDEANOGFB-FQEVSTJZSA-N 369.471 5.408 0 40 FKAB Cc1cc2sc(NC(=O)c3ccc(OCC(C)C)cc3)nc2cc1Cl 6826373 CEUGHXMFFBABIS-UHFFFAOYSA-N 374.893 5.545 0 40 FKAB Clc1cccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)c1 7098785 VOSPTPGRYSQRFJ-UHFFFAOYSA-N 374.896 6.620 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccc(OCc2ccccc2Cl)cc1 7699610 PBXLCWMRHGVMRN-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB Cc1c(C(=O)Nc2ccccc2N2CCCCC2)oc2c(F)cccc12 7718985 DFUNPPACMQZPKZ-UHFFFAOYSA-N 352.409 5.123 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1=Cc2ccccc2OC=C1 12274554 PYTFOWAWTMZPNW-UHFFFAOYSA-N 355.393 5.407 0 40 FKAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1cc(Cl)cc(Cl)c1 14244690 KCNUANLOYZPPJX-SECBINFHSA-N 367.257 5.254 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 15587990 MJSFSAZMEZFHMX-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccccc2)cc1 15880463 WGRRZIAIYCLVNS-UHFFFAOYSA-N 373.408 5.369 0 40 FKAB biogenic Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1F 16346971 XYCQGKJEZXVBDC-FQEVSTJZSA-N 359.404 5.386 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2nnc(C3CCCCC3)s2)c1 16722125 CPAAEYYMGWFGKD-UHFFFAOYSA-N 367.927 5.213 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20137650 SHSIQZDBHGEHNU-UHFFFAOYSA-N 369.848 5.468 0 40 FKAB Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c(C)o1 29013085 CUJVEHCLZTXXEN-UHFFFAOYSA-N 366.364 5.291 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(F)(F)F 30754756 BGVJBLOGTDCNKX-IBGZPJMESA-N 373.374 5.655 0 40 FKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C)cc1 30869609 LXGJTOIGXLPTNE-QHCPKHFHSA-N 359.469 5.455 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Cl)cc1Cl 33737217 MKLFSNCHOMASSM-UHFFFAOYSA-N 369.679 5.499 0 40 FKAB CCSc1ccccc1C(=O)NCC1(c2ccc(OC)cc2)CCCC1 38593573 JMNHLHUMOCYCTE-UHFFFAOYSA-N 369.530 5.049 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 44884658 QSVUHPNZORILKB-ZDUSSCGKSA-N 368.329 5.412 0 40 FKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1Cl 48340785 KDSHBGDHAAASAE-UHFFFAOYSA-N 372.877 5.414 0 40 FKAB CCCCCNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64472679 GBRSPUVGFSRQTJ-UHFFFAOYSA-N 356.466 5.265 0 40 FKAB C[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)C12CCC(CC1)CC2 67319162 HCMCLHTXOCUEHJ-USEFPYCQSA-N 361.529 5.468 0 40 FKAB Cc1cc(NC(=S)Nc2cccc(C(C)C)c2)ccc1Br 71760760 RPFZYIVYWVTYCV-UHFFFAOYSA-N 363.324 5.690 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2cc(F)ccc21 84625294 XVVNKTMZAFNOKV-HXUWFJFHSA-N 354.469 5.882 0 40 FKAB COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 89904534 GABUWDRYKMYKBX-BBATYDOGSA-N 365.304 5.312 0 40 FKAB CCCNC(=O)c1ccc(OCC)c(CSc2ccc(Cl)cc2)c1 224669613 LVNUIAZBVOVSPM-UHFFFAOYSA-N 363.910 5.171 0 40 FKAB Cc1ccc2oc(CCC(=O)Nc3ccc4c(c3)oc3ccccc34)nc2c1 224947228 NMPDOQUSYMIFLW-UHFFFAOYSA-N 370.408 5.607 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 225593643 GGYSWOATWKYBQU-LJQANCHMSA-N 357.497 5.525 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C 225736510 HIELXOSAXGVXTI-JOCHJYFZSA-N 363.542 5.652 0 40 FKAB O=C(c1cccc(Br)c1)c1ccc2c(c1)oc1ccccc12 226296602 WIUXVVUJUKSHJH-UHFFFAOYSA-N 351.199 5.580 0 40 FKAB Cc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 254293250 SHZZXAYLFFLORP-UHFFFAOYSA-N 356.494 5.806 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 408970096 APGQGHOQXWFVGJ-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc3ccccc23)c(C)c1 409115844 HTZHUSFSVGXLGU-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 409369003 WWAVMLGDMYDSTF-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Oc1cc(O)c(-c2cccc(-c3cccc(Cl)c3Cl)c2)c(Cl)n1 585090178 DQHZAJPNNKERLF-UHFFFAOYSA-N 366.631 5.787 0 40 FKAB COc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 664460 LLBORHJUPDTGAA-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB Cc1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1CCCC2 667949 ZYTRXDUGBIDSFO-UHFFFAOYSA-N 352.507 5.171 0 40 FKAB Cc1ccc(C2=NCC(=O)N(Cc3ccccc3)c3sc(C)c(C)c32)cc1 930345 VUMVLHKKCFDJRR-UHFFFAOYSA-N 374.509 5.058 0 40 FKAB Cc1ccc(C)c(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1C 951201 QRMWIGKHNJRBHV-UHFFFAOYSA-N 353.506 5.876 0 40 FKAB C/C=C1\S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 973374 SJXHLYBHLLBQFR-MGUBHJTDSA-N 364.392 5.226 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](CC)C2 1102546 TVBGJYKRIPHCFS-AWEZNQCLSA-N 371.502 5.000 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c(C)c1 1437023 YKBQATXAKYFIBZ-CZUDEUJKSA-N 367.492 5.785 0 40 FKAB Cc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)cc1Cl 3205553 MSNGDVHKNOZMPT-UHFFFAOYSA-N 361.869 5.091 0 40 FKAB CCOc1ccc(-c2nc3c(c(SC)n2)Cc2cccc(C)c2O3)cc1 4315021 HQPAOKZEZFFDQA-UHFFFAOYSA-N 364.470 5.269 0 40 FKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1c(F)cccc1Cl 4678354 FFASHYOVMWBCJO-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB Cc1ccccc1NC(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 4865238 MRKHGMSIYUWNQD-FOCLMDBBSA-N 367.452 5.154 0 40 FKAB Cc1ccc(NCN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1C 5363730 HPSIGGOCJIRNOK-XMMPIXPASA-N 355.485 5.524 0 40 FKAB COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 5451687 BVQDZSFUVFXFCD-UHFFFAOYSA-N 369.726 5.395 0 40 FKAB biogenic CC[C@@]1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 5518205 SWRZFJRLMFYCTM-PKOBYXMFSA-N 371.278 5.119 0 40 FKAB CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 5614056 PZHNIGPNIRFWRE-WQRHYEAKSA-N 371.889 5.700 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC[C@@H]2C)c(C(C)C)c1 5675887 WJHQONGVQVLBAI-KRWDZBQOSA-N 365.583 5.620 0 40 FKAB COc1ccc2ccccc2c1[S@](=O)Nc1cccc(C(F)(F)F)c1 5703826 OPZBRSHYBUOAKW-RUZDIDTESA-N 365.376 5.002 0 40 FKAB O=C(Oc1ccc(Cl)cc1Br)c1cc2ccccc2o1 6646588 DKYPRWRLKBDQNZ-UHFFFAOYSA-N 351.583 5.068 0 40 FKAB Cc1ccsc1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 6650242 UJCTUQMOAOAMFJ-INIZCTEOSA-N 366.511 5.161 0 40 FKAB CC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 8843822 UGAPJICSJNBDKO-UHFFFAOYSA-N 367.832 5.374 0 40 FKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 13845413 OOQOOHGBMXFAAU-NHCUHLMSSA-N 371.436 5.312 0 40 FKAB O=C(Nc1ccccc1Br)c1cc2c(ccc3ccccc32)o1 13858127 CUGAKSZAVSUSBV-UHFFFAOYSA-N 366.214 5.601 0 40 FKAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)c1c[nH]c2ccccc12 14672367 CMRVRRGADIYVRJ-GFCCVEGCSA-N 352.484 5.407 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccccc3Cl)n2)cc1 17074051 MCDNYSVSUISJEY-UHFFFAOYSA-N 358.872 6.477 0 40 FKAB CCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17287213 ZCTPRYIRPBTWFZ-UHFFFAOYSA-N 352.438 5.057 0 40 FKAB CCCCn1nc(C)c(C(=O)N[C@@H](C)c2cccc3ccccc23)c1Cl 23912279 YIPKOUHONHIWJW-AWEZNQCLSA-N 369.896 5.289 0 40 FKAB Cc1ccccc1[C@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 28188035 VWQAGLJLGIALCJ-LJQANCHMSA-N 362.454 5.828 0 40 FKAB Cc1cc(N2CCCCCC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40216974 JKTGRTBTOLSVPR-UHFFFAOYSA-N 354.885 5.047 0 40 FKAB Cc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 41019122 XHMFTWDPRRZWFR-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 58378167 SQEHLMKFKZQHMK-PXAZEXFGSA-N 368.864 5.185 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351821 RKBFSPPTCGOXLR-WOJBJXKFSA-N 359.897 5.382 0 40 FKAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3ccc(Cl)cc3)o2)s1 60016722 MIBSYUDGLPSXMQ-HNNXBMFYSA-N 359.882 5.097 0 40 FKAB Clc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2c1 85345354 BPOBKNXACWOJET-UHFFFAOYSA-N 363.631 6.450 0 40 FKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@]12C 118917656 BVOSELRYSDLZIT-KAFUMNDRSA-N 374.594 5.150 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 219509921 IQFDCIKSJUIWSC-ROUUACIJSA-N 353.506 5.246 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SC(C)C)CC(C)(C)O2 219657096 CXCCVVXYXYGOPI-GOSISDBHSA-N 369.530 5.528 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)CCc1ccccc1 222926025 JQBVYGRTKOBIOF-XMSQKQJNSA-N 367.533 5.279 0 40 FKAB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCCC2 223022550 AAXAZWCVQPYPAW-VWLOTQADSA-N 369.508 6.114 0 40 FKAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223132712 OWLMUYMUTKHWGG-FQEVSTJZSA-N 359.872 5.168 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224422448 KFVBHWIUDJMBBZ-MRXNPFEDSA-N 373.452 6.115 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1C 224966987 RNYPWEORGZCWMJ-FQEVSTJZSA-N 357.881 5.323 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(Cl)cc1Cl 225368848 NHRGCFLSTSGSKX-UHFFFAOYSA-N 358.652 5.227 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)CCCC2 225626287 OWNOLQOXISDQFO-UHFFFAOYSA-N 357.453 5.397 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225841449 GWSMYSIICULATM-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB CCc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 226759216 INNSJJVZVZYKBN-QHCPKHFHSA-N 359.469 5.684 0 40 FKAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc(Cl)cc1Cl 408828957 MOOPXSASIFNIIM-UHFFFAOYSA-N 353.230 5.271 0 40 FKAB Cc1ccc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 408831303 PDVVYHVLLPGKCT-UHFFFAOYSA-N 357.881 5.548 0 40 FKAB Cc1cccc(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c1 408973452 SJHOFNYRHYNULE-GDNBJRDFSA-N 367.857 5.516 0 40 FKAB CC(C)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409128687 TWCCEXOSXQDKTL-HMMYKYKNSA-N 365.498 5.479 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1 644903 ZYYZPZWBUWANHV-UHFFFAOYSA-N 365.738 5.871 0 40 FKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1[C@H](C)CCC2 986066 YBRGMZYLLPQNSO-GFCCVEGCSA-N 374.531 5.174 0 40 FKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccccc3)nc2n1 1384968 OUGNNHQMDRPPEQ-UHFFFAOYSA-N 358.241 5.460 0 40 FKAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@]23CCCc2ccccc23)cc1 2631659 OBEQSCIIKCWZKT-VWLOTQADSA-N 368.480 5.252 0 40 FKAB Cc1cccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c1 2733369 DRGMDHDUSOYERQ-UHFFFAOYSA-N 374.434 6.160 0 40 FKAB COc1cc(CNCC[C@@H](CCC(C)C)c2ccco2)ccc1OC(C)C 4085209 JZJWXNFEZLTJHK-HXUWFJFHSA-N 373.537 5.775 0 40 FKAB biogenic S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1cccs1 4088186 FJFQXIFYGSVLOR-KRWDZBQOSA-N 373.934 5.005 0 40 FKAB CCCCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 4199458 ZRLSVCXKRQJSSM-UHFFFAOYSA-N 358.869 5.501 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)o2)N3)C1 4553462 XKBGTQQOAVFWSI-PXAZEXFGSA-N 358.507 5.620 0 40 FKAB Cc1ccc(CN([C@@H]2CCCc3ccccc32)[C@@H]2CCCc3ccccc32)o1 4699254 VPUJLPIELIOCGW-CLJLJLNGSA-N 371.524 6.545 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccccn23)cc1C 5249045 HWYSINJLPVDGMB-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB CSc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1 5353747 YUTDMORABWYZMI-UHFFFAOYSA-N 374.534 6.943 0 40 FKAB O[C@](c1ccc(Cl)cc1)(c1ccccc1Cl)C(Cl)(Cl)Cl 6095471 LUXSISXJGNCOKN-CYBMUJFWSA-N 370.490 5.600 0 40 FKAB in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6215557 ORCAINSGOBJJSV-HNNXBMFYSA-N 351.377 5.024 0 40 FKAB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc21 6630231 PYTATVCNCFTJFH-KGENOOAVSA-N 360.432 5.140 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 8041553 UGPFVUKCJLWLPH-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12419891 IHHGBQHCGHXYLM-UHFFFAOYSA-N 350.506 6.103 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1cccnc1)c1ccccc1 12559735 JUTFCESOBKGUSZ-OQJFVQCTSA-N 372.449 5.490 0 40 FKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 12579894 IWNDSYPUEIWAAI-UNMCSNQZSA-N 360.844 5.582 0 40 FKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(Cl)cc1 12897074 LMSPJTGYJMTJLQ-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13613629 HRLNJMIGVXZGRZ-KRWDZBQOSA-N 369.505 5.029 0 40 FKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1 18178769 XAJROUBTHVWPNX-FQEVSTJZSA-N 355.441 5.122 0 40 FKAB C[C@H]1CN(C(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)C[C@@H](C)O1 28629225 SWAITQLCDNGXRS-TXEJJXNPSA-N 365.926 5.102 0 40 FKAB Clc1ccc(CNc2ncccc2-c2nc(-c3ccccc3)no2)cc1 33004296 YCPBBTPYZFHCSP-UHFFFAOYSA-N 362.820 5.064 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccn1 38551363 NYOMAILEACFAGH-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccoc1 40146397 JYDSVMSNBLPUNM-HXUWFJFHSA-N 355.384 5.352 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 57316752 UTYKQWJFHWSLFP-NSHDSACASA-N 362.351 5.509 0 40 FKAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214921 XHDPYAXMVITFLT-GOSISDBHSA-N 361.530 5.024 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)CC2 224146224 DIYRHHGUDNBDEF-UHFFFAOYSA-N 365.860 5.390 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2ccccc12 225794335 PRTWZBGITAFMMC-ZHRRBRCNSA-N 357.494 5.407 0 40 FKAB CCOc1ccccc1NC(=S)NC1(c2ccccc2C)CCCC1 225847660 KFKRKUFZPOZTPP-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 225899927 WIWPROSUIVVWPQ-UHFFFAOYSA-N 354.837 5.590 0 40 FKAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1cccc2ccccc12 408582671 OSMZCUFVPKQSCM-UHFFFAOYSA-N 364.533 5.746 0 40 FKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccccc4)C(=O)O3)sc2c1 408841657 GIODACXSCGTZSD-GXDHUFHOSA-N 353.830 5.208 0 40 FKAB COc1ccc2c(c1)CCc1sc(=Nc3ccc(C)c(Cl)c3)[nH]c1-2 408884326 YHMZMLJISGASHE-UHFFFAOYSA-N 356.878 5.045 0 40 FKAB Cc1ccc(C)c(NCc2ccccc2OCc2ccccc2Cl)c1 409114811 QJYWNVRAFXYQQB-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCOc1ccc(Br)cc1CNc1cc(Cl)ccc1C 409120468 ZSDZMXRQDDPEOC-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB Cc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(C)c1-c1ccccc1 409207261 VATVZWBZMVLJFC-LNVKXUELSA-N 364.514 5.101 0 40 FKAB CCOc1cc(C(=O)Nc2ccccc2C)ccc1OCc1ccccc1 663857 XIGYSKDXHPPNJZ-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1ccc(F)cc1 2343824 HSUNVKHERVHVJC-LJQANCHMSA-N 370.401 5.708 0 40 FKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 2418443 SUTVLHAMKLFMLO-UHFFFAOYSA-N 370.500 6.059 0 40 FKAB CC(=O)c1cccc(NC(=O)CCCSc2nc3ccccc3s2)c1 2658171 UQWATLGQPAKALU-UHFFFAOYSA-N 370.499 5.010 0 40 FKAB O=C(NCCOc1ccccc1Cl)c1ccc(C2CCCCC2)cc1 3101256 NSRSCFIXXYFBOA-UHFFFAOYSA-N 357.881 5.197 0 40 FKAB Cc1cccc(C(=O)Oc2c(C)cc(Br)cc2Cl)c1C 3280277 FXNKOMNTQRJFQR-UHFFFAOYSA-N 353.643 5.247 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc(C(F)(F)F)c1 3290735 HGOOSGQLZGIEGW-ZDUSSCGKSA-N 352.425 5.013 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cccnc1Sc1ccccc1 3388768 TYTBIJQVQUWQNY-UHFFFAOYSA-N 354.862 5.447 0 40 FKAB Cc1ccccc1OCCn1cc(C(=O)c2cccs2)c2ccccc21 3648665 PVIGNNQEHVFAKG-UHFFFAOYSA-N 361.466 5.321 0 40 FKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc(C)c1C 4079217 MBWPLNDSNUVGMV-UHFFFAOYSA-N 372.273 5.101 0 40 FKAB COC(=O)c1cc(Cl)c(OCc2ccc(C(C)(C)C)cc2)c(Cl)c1 4105501 ZQSMXTPDHRJKHH-UHFFFAOYSA-N 367.272 5.657 0 40 FKAB Cc1cc(-c2ccc(Cl)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 4739977 CTXGGRPCLUDHAK-UHFFFAOYSA-N 354.240 5.679 0 40 FKAB Cc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 4954269 JXYRSMOWPBKCDQ-UHFFFAOYSA-N 357.482 5.535 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc2sccc2n1Cc1ccccc1 4970931 BYGLZSHDQYQKKI-UHFFFAOYSA-N 366.873 5.657 0 40 FKAB CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@H](C)c1cccs1 5498831 BZQNDPCRIURTJK-UZLBHIALSA-N 351.556 5.279 0 40 FKAB Cc1cc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)no1 9203924 DNIOQUFLAJDGSU-UHFFFAOYSA-N 361.426 5.026 0 40 FKAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2ccccc2s1 9817515 QZGDTYBIYHNANR-LJQANCHMSA-N 358.466 5.427 0 40 FKAB O=C(c1cccs1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235669 CTXMHUAJHMIBNJ-UHFFFAOYSA-N 362.907 5.031 0 40 FKAB Cc1nc(SCc2ccc(Cl)c(Cl)c2)n(C[C@@H]2CCCO2)c1C 12519861 VCTLTNCPDZWVAP-AWEZNQCLSA-N 371.333 5.278 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Br)c1 13708890 ARZMUTZEGHVJJP-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2ccc(OC)c3ncccc23)cc1 15840627 XBXUAKTWNZOHEL-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB COc1ccccc1/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1 17299412 RTZOJEWYMKKJLF-RWEWTDSWSA-N 367.408 5.217 0 40 FKAB Cc1noc2nc([C@@H]3CCCN(C[C@H]4CC=CCC4)C3)cc(C(F)F)c12 19564292 HPYMVKBEFDZIKO-LSDHHAIUSA-N 361.436 5.005 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20036897 DMGXWXJAUNOFCS-VXKWHMMOSA-N 369.505 5.065 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 20041799 HEGFQMUNVXCSRB-HNNXBMFYSA-N 373.827 5.868 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 20107079 LRTARXHXAGFRJZ-ZDUSSCGKSA-N 368.329 5.412 0 40 FKAB CCOc1ccc([C@@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)cc1 28962782 SYZYEEBRZXEETC-NRFANRHFSA-N 366.436 5.217 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1C 32116701 WTDHORJOPOOCBA-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CCCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 38752722 WCTVDINCOWTDOI-QHCPKHFHSA-N 359.469 5.303 0 40 FKAB O=C(Nc1ccccc1SC(F)(F)F)c1cc(F)c(F)cc1Cl 58166369 LBAFQSHIFLGADV-UHFFFAOYSA-N 367.726 5.482 0 40 FKAB S=c1oc(-c2ccccc2)nn1CNc1ccc(Cl)c(Cl)c1 59488424 ZAZVYLMNJGIDDM-UHFFFAOYSA-N 352.246 5.249 0 40 FKAB CCCCCn1c(SCc2cccc(F)c2)nc2ccsc2c1=O 67259666 MNXQUHWIXQFIBU-UHFFFAOYSA-N 362.495 5.080 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217689 NGCFOKAVIZMKCH-GOSISDBHSA-N 370.518 5.695 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)no2)cc1 72427656 IINGHZVNTUYCMG-CYBMUJFWSA-N 374.362 5.160 0 40 FKAB C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(SCc3cccnc3)cc2)C1 76021989 NQQYRHYGXFMTSS-IRXDYDNUSA-N 354.519 5.025 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@@H](c2ccccc2)C1 100436128 CJMLTCWOOVFDEU-HOYKHHGWSA-N 367.452 5.711 0 40 FKAB Fc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1 101218756 QNLCNRIJDAJCIB-FPOVZHCZSA-N 361.395 5.461 0 40 FKAB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215249465 SVFMVCVBCLRREL-LZYBPNLTSA-N 361.825 5.024 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219323491 ZFSHBCNVMBGZRA-HXUWFJFHSA-N 373.880 5.458 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 222684322 XVKFHGZMZIMXLI-UHFFFAOYSA-N 373.827 5.870 0 40 FKAB O=C(CSCc1cccc(Cl)c1)NCc1cccc2ccccc12 222827538 ICRZMPLSMKCKCB-UHFFFAOYSA-N 355.890 5.043 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc2cc3ccccc3nc2s1 223129076 QLRVZKFPCHIXFK-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1Cl 225719345 ZDUGDGWIHHMIIU-IFXJQAMLSA-N 353.890 5.053 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 250576612 PANYVYRJTHKGSX-WFDRNDOFSA-N 361.485 5.805 0 40 FKAB CCCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OC 409111453 CUSVYAPMBIMYCB-UHFFFAOYSA-N 354.277 5.711 0 40 FKAB COc1cc(C)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1C(C)C 409121101 VXMLEXQROVWODQ-BKUYFWCQSA-N 363.501 5.670 0 40 FKAB CCCC[C@H](CC)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358976 JWVGRVVYEGYYPQ-NRFANRHFSA-N 371.524 7.556 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C(C)=O)c1 645446 WJTNLMMJFLYSQQ-UHFFFAOYSA-N 368.820 5.011 0 40 FKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 826427 XSZCWRWJFDQNNS-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB COc1ccc(C(=O)C[C@@H](Sc2ccccc2)c2ccco2)cc1OC 947305 RDPSEWSRUREZFI-OAQYLSRUSA-N 368.454 5.403 0 40 FKAB O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(Cl)cc3)cc2o1 1799833 ABVSHEOTKYIFPX-UHFFFAOYSA-N 362.812 5.692 0 40 FKAB O=P1(NCc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3198608 FEPDQJJGYSXWTL-UHFFFAOYSA-N 373.392 6.082 0 40 FKAB CN(C)c1ccc([C@@H](/C=C2\C=Cc3ccccc3N2)c2ccccc2)cc1 3845710 MIKIJJDATHBDEV-HCYCUYITSA-N 352.481 5.907 0 40 FKAB Clc1c(Cl)c(Cl)c2c(c1Cl)O[C@H]1Cc3ccccc3[C@@H]1O2 3851943 AECUTYJLGGMEIK-SDBXPKJASA-N 362.039 5.737 0 40 FKAB biogenic Cc1cccc(C(C)C)c1NC(=O)c1oc2c(ccc3ccccc32)c1C 5443028 SMBYGNNIBRHIPL-UHFFFAOYSA-N 357.453 6.579 0 40 FKAB CC(C)(C)c1ccc(OCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6052441 RPFLSFHUKSZSHK-UHFFFAOYSA-N 369.549 5.228 0 40 FKAB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Cl)cc(Cl)c2)cc1 6332304 OEDILYZRFKXELT-UHFFFAOYSA-N 374.267 5.777 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 6949692 ZHBVTFMSJTXNHW-UHFFFAOYSA-N 351.277 5.088 0 40 FKAB Cc1sc2ncnc(SCc3cc(-c4cccs4)on3)c2c1C 8942469 FOFAVXOISLBUCA-UHFFFAOYSA-N 359.501 5.317 0 40 FKAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1Br 12693746 RSLVBHOVVGPUSN-UHFFFAOYSA-N 374.209 5.409 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3)o2)cc1C 12764598 ARQRFCDCQXPCFU-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)c(Cl)c1 14258397 ZVLWJTXBENKMNC-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB Cc1sc(N)c(C(=O)c2ccc(Cl)c(Cl)c2)c1-c1ccccc1 19776373 YFFDLGWPUDDNGZ-UHFFFAOYSA-N 362.281 5.844 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)O)ccc3C)o2)cc1Cl 20140307 WDORUPXJPURVFH-UHFFFAOYSA-N 369.804 5.167 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc12)c1ccc(C)cc1 20493379 QALVBDMHKZFCEW-FCHUYYIVSA-N 361.485 5.573 0 40 FKAB CC(C)c1ccc([C@H]2CC(=O)c3cnn(-c4ccc(Cl)cc4)c3C2)cc1 20632753 RFGIQPDTNQIMGK-QGZVFWFLSA-N 364.876 5.562 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 22510871 ATVRCTXPEAKBHI-FDDCHVKYSA-N 361.485 5.491 0 40 FKAB CCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795489 GEBZLMUHGFPOSD-UHFFFAOYSA-N 355.821 5.179 0 40 FKAB CN(Cc1ccccc1NC(=O)c1ccc(Cl)s1)C1CCCCC1 32903623 JSTUUSQSFHZUTG-UHFFFAOYSA-N 362.926 5.418 0 40 FKAB CC(C)=CCc1c(O)cc(CCc2ccccc2)c(CC=C(C)C)c1O 49601304 PHPXAJCVSGIDFH-UHFFFAOYSA-N 350.502 5.900 0 40 FKAB biogenic,in-vitro Cc1ccc(/N=c2/scc(-c3ccc(F)cc3)n2C2CC2)cc1Cl 105756395 OOSNHRNHAIUYBG-ZBJSNUHESA-N 358.869 5.885 0 40 FKAB CCCCc1ccc(NC(=S)NCCSCc2ccccc2)cc1 107441697 OUTGYEUIQWQQMK-UHFFFAOYSA-N 358.576 5.249 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C(C)C 223341871 NTDNBMBQROPZLO-MSOLQXFVSA-N 369.505 5.080 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225341773 ADAUYIPQCPWCBB-ZDUSSCGKSA-N 350.289 5.366 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225524384 FSFOHCXPWZSRNP-UHFFFAOYSA-N 357.881 5.416 0 40 FKAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 225593818 GGWVGOUUQIQHBD-UHFFFAOYSA-N 373.474 5.086 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCCSCc2ccc(F)cc2)c1 225614152 TVSXZLPYEURZDQ-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)nn2)c1 408530912 SCMHHFZSTAJVSQ-UHFFFAOYSA-N 360.457 5.277 0 40 FKAB Cc1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 408622727 RDMBKMGITHSOLO-SOFGYWHQSA-N 372.251 6.214 0 40 FKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 409087669 JIVKIEIGVPTQBX-UHFFFAOYSA-N 371.937 6.042 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 682400 YPULMEZXWFNSMY-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB Cc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)c(C)cc2c1 887546 VNRMNURVSKXILM-UHFFFAOYSA-N 372.493 5.736 0 40 FKAB COc1ccccc1[C@H](Nc1cccc(F)c1)c1c(C)[nH]c2ccccc12 1298076 KFSNQMMPEDWCOM-QHCPKHFHSA-N 360.432 5.826 0 40 FKAB c1ccc(-c2ccc(-n3c(-c4ccccc4)nnc3-c3ccccc3)cc2)cc1 1868977 WZIAGRXGHVZBLR-UHFFFAOYSA-N 373.459 6.268 0 40 FKAB CCCC(C(=O)Nc1c(C)cccc1C)(c1ccccc1)c1ccccc1 2183326 HNNBWILTXOSPNW-UHFFFAOYSA-N 357.497 6.028 0 40 FKAB CCN(CC)c1ccc(C2SCc3cc(C)c(C)cc3CS2)cc1 2266670 QALOXKPYNSNYOG-UHFFFAOYSA-N 357.588 6.328 0 40 FKAB C=Cn1c2ccc(Cl)cc2c2cc(I)ccc21 2277351 XHWJPRMKBICUIN-UHFFFAOYSA-N 353.590 5.153 0 40 FKAB FC(F)(F)c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccccc1 2741118 DKBUXOGHHNJODW-UHFFFAOYSA-N 369.346 5.577 0 40 FKAB Cc1ccc(-c2nnc(C)c(Sc3cccc(C(F)(F)F)c3)n2)cc1 3050292 FXNKVCYILHFPNS-UHFFFAOYSA-N 361.392 5.325 0 40 FKAB C[C@H](NC(=O)Nc1ccc(Br)cc1)c1cccc2ccccc12 3147899 NEGXUYHQUPLXNG-ZDUSSCGKSA-N 369.262 5.485 0 40 FKAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1-c1ccccc1 3244848 MCYLQHSQFANRMS-UHFFFAOYSA-N 371.465 5.028 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 4318351 LWLNKFVUOFWRQO-VWPQPMDRSA-N 371.883 5.581 0 40 FKAB CCCCc1cc2cc(C(=O)Nc3ccc(C)cc3)ccc2nc1Cl 4513178 DDGOKKPUOGKUQX-UHFFFAOYSA-N 352.865 5.792 0 40 FKAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1C 5030888 OWVSTRXXZHJQDI-FOCLMDBBSA-N 352.437 5.173 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 5742931 IRVNXTZDUTXMJY-BWWCKNBVSA-N 364.485 5.536 0 40 FKAB Cc1nc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc1C 6255095 AMBQNZWOGRLTEF-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 7795580 DXWCBLDKIIFBQR-NSHDSACASA-N 355.463 5.181 0 40 FKAB CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 8227173 HRIOOGKJURLQJO-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 8587271 AOLUTBDQKMHQDI-UHFFFAOYSA-N 352.409 5.384 0 40 FKAB Cc1cc(O)c2c(c1)C[C@H]1[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 8615953 PAYRXRMDYUKQEC-CCXUQAHUSA-N 352.518 5.326 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)n2C)c1 8982167 NCDXESRRJCELIY-UHFFFAOYSA-N 363.408 5.102 0 40 FKAB COC(=O)Nc1c2c(nc3ccccc13)-c1ccccc1C(C)(C)[C@H]2OC 13214709 AHHNBAZHMCJAOH-FQEVSTJZSA-N 362.429 5.059 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cccc(OCc2ccccc2Cl)c1 22258085 SWLGRJBSDWGPQS-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB O=C(NC1CCCCC1)c1cccc(NC(=O)c2cccc3ccccc23)c1 27298378 SIWOFKWLLQGTGK-UHFFFAOYSA-N 372.468 5.155 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 30865668 VNAXYXHQSBLKHK-AVRDEDQJSA-N 361.510 5.381 0 40 FKAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1 32962866 FNVSGXYZFOYNEL-WBVHZDCISA-N 360.379 5.172 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 44880945 JBBMCQCVBUEEFW-DYESRHJHSA-N 371.546 5.221 0 40 FKAB COC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 45919919 KSHVJUIWLPLSMH-UHFFFAOYSA-N 356.592 5.242 0 40 FKAB FC(F)Sc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1 58407025 MPDLDLADFWLAJJ-HNNXBMFYSA-N 374.456 5.522 0 40 FKAB COc1cc(C)c(/C=C/c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(C)c1C 96171650 FKUYDPZMQAWVIO-VGOFMYFVSA-N 372.464 6.156 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118915202 PISMGMNRZZPIQZ-HXWZHSPTSA-N 360.538 5.310 0 40 FKAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1C 218926344 FYFSAHBPYZWJGQ-LJQANCHMSA-N 359.897 5.220 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1Cl 219023331 AJNSPUVJXZILCS-MRXNPFEDSA-N 367.876 5.010 0 40 FKAB Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Br 226248197 MOGYGXVMOAZUBX-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB O=C1O[C@@H]2CCCC[C@H]2C2(CCCCC2)[C@H]1CCCCNc1ccccc1 252694732 OZRXHOCLDHJQJT-BHIFYINESA-N 369.549 5.951 0 40 FKAB biogenic CCc1ccc(-n2c(C)nnc2SCc2ccc3ccccc3c2)cc1 409098973 NBTHSVSDAGBSGS-UHFFFAOYSA-N 359.498 5.584 0 40 FKAB Nc1cc(Br)cc(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250533 ZMOSNLGKEYOAFH-UHFFFAOYSA-N 368.099 5.121 0 40 FKAB O=C1c2ccccc2N[C@H](c2cccc3cccnc23)N1c1ccc(F)cc1 669325 WLLYSAISAFWUFF-QFIPXVFZSA-N 369.399 5.145 0 40 FKAB CC(C)CN(CC(C)C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 671756 BEAWIMPMMWFIDP-UHFFFAOYSA-N 360.501 5.656 0 40 FKAB CCN(CC)C[C@H](O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC 938374 JRSYMOFRAZNFNG-IBGZPJMESA-N 363.586 5.143 0 40 FKAB Cc1sc2ncnc(Sc3ncnc4sc(C)c(C)c34)c2c1C 948420 CLWXSXUWYNSREC-UHFFFAOYSA-N 358.517 5.081 0 40 FKAB CCOC(Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)OCC 1230670 YYMGKNKILGIWBE-UHFFFAOYSA-N 352.261 5.500 0 40 FKAB COc1cccc(C(=O)Nc2cc(OC(C)C)c(Cl)cc2Cl)c1 1392302 IUTGHNVFBLPDDD-UHFFFAOYSA-N 354.233 5.042 0 40 FKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccs1 1401973 FZZMVVNBIYGWKM-UHFFFAOYSA-N 364.297 5.164 0 40 FKAB c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1 1615338 DDZJGFHXUOWOSL-UHFFFAOYSA-N 373.455 7.343 0 40 FKAB O=Cc1cn(CCCCCn2cc(C=O)c3ccccc32)c2ccccc12 1643007 VAAJFERPENUVEB-UHFFFAOYSA-N 358.441 5.092 0 40 FKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(C)C)cc1)C3 2103610 PTIRQVSZRGEJRT-UHFFFAOYSA-N 363.457 5.225 0 40 FKAB biogenic CC(C)Oc1ccc(-c2nc(Nc3cccc(F)c3)c3ccccc3n2)cc1 2248014 IJZNFCVSAMARLS-UHFFFAOYSA-N 373.431 5.967 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1 2286391 VRSMXYVKFFPHJS-UHFFFAOYSA-N 368.440 5.243 0 40 FKAB COc1ccc([C@H](CCN[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 2448442 LTARLXNMDBFWOI-MHECFPHRSA-N 363.476 5.707 0 40 FKAB Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(-c3ccccc3)cc2)c1 4218740 GCKSOGWBQNSOJI-UHFFFAOYSA-N 354.409 5.213 0 40 FKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)CC(c1ccccc1)=C2 4380024 DXNURCRRGKRFQK-XMMPIXPASA-N 362.476 6.257 0 40 FKAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3cccc(Cl)c3)o1)N2 4501993 QZTIAMHNQGGGLW-MRXNPFEDSA-N 358.850 5.132 0 40 FKAB Fc1ccc(-c2nn(-c3ccccc3)c3c2cnc2c(Cl)cccc23)cc1 4970121 YNJYTRPZGGZPKX-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB O=C(CNc1ccc2ccccc2c1)Nc1ccccc1-c1ccccc1 5687586 QEZNVICYAMECFX-UHFFFAOYSA-N 352.437 5.557 0 40 FKAB Cc1cccc2c1Oc1ccccc1[C@@H]2NC(=O)OCCc1ccccc1 5699077 VFGZOKGSDBQIKK-NRFANRHFSA-N 359.425 5.159 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CCC(=O)O1 6525828 KYUZKRJIOGSDGT-YZZBAJPVSA-N 372.549 5.022 0 40 FKAB Cc1[nH]c2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2c1C 6560864 TVEOXWUKRHXSIM-UHFFFAOYSA-N 354.453 5.628 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)c1 7758760 BQEXWKNXOKDJMP-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(CSc2ccccc2F)cs1 11435481 DLVQKTLXYJZHRG-UHFFFAOYSA-N 372.490 5.064 0 40 FKAB FC(F)(F)c1ccccc1CN1CCC(c2cc3ncccc3cn2)CC1 12337483 JWOPLSHWIACQEK-UHFFFAOYSA-N 371.406 5.028 0 40 FKAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)sc1C 12594300 UQWKANHGJUJSNX-OAHLLOKOSA-N 356.516 5.206 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@@H]1CC[C@@H]2OCc1ccccc1 16920452 ZSXQKJCUWHUJJR-OLDNPOFQSA-N 364.573 6.781 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c(C)c1 22245485 JQOPPWNYXNXZCY-UHFFFAOYSA-N 365.502 5.397 0 40 FKAB C[C@H](Sc1nccn1-c1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 24046548 ZMIXZRSWINQOAI-NSHDSACASA-N 362.886 5.060 0 40 FKAB Cc1ccc(-c2nc3sccn3c2NC(=O)OCc2ccccc2)cc1 28294734 KXXNVCHXYVULQA-UHFFFAOYSA-N 363.442 5.120 0 40 FKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccccc1 29504913 ZRHWOULVRGYCLC-CQSZACIVSA-N 366.486 5.075 0 40 FKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@@H]1CC=CCC1 31182553 VCLGRKVFEOOTDM-LLVKDONJSA-N 352.381 5.124 0 40 FKAB Cc1ccccc1-n1ccnc1SCc1cc(-c2cccs2)on1 32865520 HHAIMNVKCKCRIZ-UHFFFAOYSA-N 353.472 5.190 0 40 FKAB CC1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2)CC1 33603506 SJGGSXBDDVMBQE-UHFFFAOYSA-N 359.922 5.326 0 40 FKAB Cc1csc(-c2ccc(C(=O)Nc3ccc(C)c4ncccc34)cc2)n1 58158180 NNTCLJCAGKUOLZ-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F 89356182 UCIHEOJZVAELDH-UHFFFAOYSA-N 370.374 5.435 0 40 FKAB Cc1ccccc1CNC(=O)c1cc(Cl)ccc1OCc1ccccc1 219762340 CITGCTUOJCFZKR-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2C)cc1CSc1ccccc1 224322870 HXQOBDVBONWWKQ-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB CC1(C)COc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2OC1 225360032 LVOLVPRZEGTQMM-UHFFFAOYSA-N 366.244 5.043 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccccc3)C[C@H]12 253617051 LZOCUXGUHLCYSF-DIOANLCASA-N 364.573 6.474 0 40 FKAB biogenic COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3)o2)cc1 409020009 YPRKXNBMSOLCLX-UHFFFAOYSA-N 374.893 5.199 0 40 FKAB Cc1cccc(-n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1 409095754 IRTHIPDTYPECHY-UHFFFAOYSA-N 371.509 5.578 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 409198420 AEOXVBYRNFMCRT-UHFFFAOYSA-N 369.848 5.888 0 40 FKAB FC(F)(F)c1cccc(SCSc2cccc(C(F)(F)F)c2)c1 2362803829 QJLMAABXJXDBRS-UHFFFAOYSA-N 368.367 6.566 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1Cl 670954 ALLWKHZOROSWKH-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 1437103 SSAINJXCHGOCHE-AWEZNQCLSA-N 355.261 5.137 0 40 FKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 2027638 DCVNOQAWHLHUBL-UHFFFAOYSA-N 366.486 5.550 0 40 FKAB Cc1ccc(Nc2c(Cl)c(Cl)nc(Cl)c2C(F)(F)F)cc1 2191502 RNGHXCWVFXLOSJ-UHFFFAOYSA-N 355.574 6.113 0 40 FKAB CCc1nc(Nc2cccc(C(F)(F)F)c2)c2oc3ccccc3c2n1 2422858 VNGWKHFGAYTPBH-UHFFFAOYSA-N 357.335 5.701 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 2500074 FYIRHTIKLKAZCH-RBUKOAKNSA-N 352.869 5.201 0 40 FKAB Cc1cc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2cc1Cl 2576839 JUEOCPGTFXNAOA-UHFFFAOYSA-N 363.638 5.493 0 40 FKAB biogenic Cc1ccc(C)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2632333 UKCLROOIONIEGU-UHFFFAOYSA-N 361.285 5.593 0 40 FKAB COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 3885952 RAEVJWCABIVQLE-BXWAGETQSA-N 359.425 5.065 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2)N3)C1 4545697 LSQXESBPHLZBOI-SCLBCKFNSA-N 370.518 5.424 0 40 FKAB COc1ccccc1[C@H]1CC(c2cccs2)=NN1c1ccc(Cl)cc1 4578210 DUFYEUYVCHKIQW-GOSISDBHSA-N 368.889 5.766 0 40 FKAB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1 5488703 OHMFAROINVAHPE-OAQYLSRUSA-N 358.466 5.017 0 40 FKAB Clc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6616306 ISZOWBFUUQVCTQ-LJQANCHMSA-N 355.915 6.759 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccccc2OCCOc2ccccc2)c1 6628301 ASSWLQRWIWEHJR-UHFFFAOYSA-N 361.441 5.014 0 40 FKAB CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(C)cccc2s1 6649600 KGHXLNOURJZNIR-UHFFFAOYSA-N 364.392 5.290 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)o2)cc1 9095709 PNFKZSLRXFRKPV-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB O=C(Nc1c(F)cccc1F)c1ccccc1SCc1ccccc1 10328216 UHHHTSSFQLZWLG-UHFFFAOYSA-N 355.409 5.509 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1cccc(F)c1 22072722 YZDDXRJVWUMJFU-UHFFFAOYSA-N 359.763 5.009 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCCOc2ccccc2)c2ccccc2)cc1 38772296 VDRCJLLYAJLBHC-DEOSSOPVSA-N 359.469 5.060 0 40 FKAB O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(-c2ccccc2F)o1 65665788 SCTSZZXINQFWFS-UHFFFAOYSA-N 364.420 5.328 0 40 FKAB Cc1cc(Br)ccc1NC(=S)Nc1cccc(C(C)C)c1 71760758 YOVXDAQBYLNXJW-UHFFFAOYSA-N 363.324 5.690 0 40 FKAB Cc1ccc(CN2CCCC3(CCN(Cc4ccc(C)s4)CC3)C2)cc1 96047377 BRLVDAGGQZIIQT-UHFFFAOYSA-N 368.590 5.243 0 40 FKAB CC(C)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 113933071 MUIWJCVVQOMVTC-UHFFFAOYSA-N 368.329 5.989 0 40 FKAB COc1cc(C)c([C@H](C)NC(=S)Nc2ccc(C)cc2)cc1C(C)C 223387870 VSEZHGVQAFXRFR-INIZCTEOSA-N 356.535 5.483 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223467298 XHMPBHWWWHRYSH-CTNGQTDRSA-N 353.506 5.264 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COCC)c2)cc1 224700057 ULNOSTVWGCZRBC-UHFFFAOYSA-N 355.478 5.217 0 40 FKAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225801197 BYODNHRMXRZCSZ-KSFYIVLOSA-N 357.494 5.551 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225803585 UHEQWBUXLSKZSP-QHCPKHFHSA-N 371.521 5.799 0 40 FKAB CC[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(OC)c(C)c1 225818089 UXFDHXKIZREPON-HXUWFJFHSA-N 373.452 5.784 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247420858 REQSLCDUVILJAA-BLMTYFJBSA-N 353.849 5.335 0 40 FKAB C1=C[C@@H]2[C@H](C=C1)[C@@H]1C=CC=C[C@@H]1[C@H]2CC[C@H]1[C@H]2C=CC=C[C@@H]2[C@@H]2C=CC=C[C@H]12 299888300 DMENCZPZLSKLMQ-RNYFTHIDSA-N 366.548 6.460 0 40 FKAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc2ccccc12 408564075 XLLSJNUASUQNOH-VHXPQNKSSA-N 372.493 5.439 0 40 FKAB CCCOc1ccc(CNc2ccc(Br)cc2C)cc1OC 408613838 WINGTWRPKAZURC-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB CCCOc1ccc(CNc2cc(Cl)ccc2C)cc1Br 409114825 LJTJGPUQAINTJY-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB O=C(Nc1c(F)cccc1F)/C(=C/c1ccccc1Cl)c1ccccc1 409250839 MZZYCNSJSZDLOH-DTQAZKPQSA-N 369.798 5.798 0 40 FKAB O=C1CCCC[C@@H]1[C@H](Nc1ccc(Br)cc1)c1ccccc1 704438 SRCJEGCCEVROGN-PKOBYXMFSA-N 358.279 5.362 0 40 FKAB O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1-c1ccc(Cl)cc1 988472 LEIIEQDSPWRMCV-UHFFFAOYSA-N 370.886 5.430 0 40 FKAB CC[C@@H](C)Nc1ccc(NC(=S)Nc2ccc(N[C@H](C)CC)cc2)cc1 1736303 JISDNEYCWNQCOJ-HZPDHXFCSA-N 370.566 5.916 0 40 FKAB CCCCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 1777633 MQQQOJNZGODSPE-OAHLLOKOSA-N 361.869 5.233 0 40 FKAB Clc1ccc(Oc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 2269872 ZBYPAZSMKLMWBH-UHFFFAOYSA-N 367.235 6.396 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccccc3)n2)cc1C 2733402 RLYZSLUMGICEQD-UHFFFAOYSA-N 352.481 6.440 0 40 FKAB Clc1ccc(Oc2nc3ccccc3cc2-c2ccc(Cl)cc2)cc1 3050867 JNCBLDAWBYTNIK-UHFFFAOYSA-N 366.247 7.001 0 40 FKAB c1ccc(CCNc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 3199990 NYDWBFOOJYSQKO-UHFFFAOYSA-N 362.542 6.512 0 40 FKAB CC(C)Sc1nc2ccccc2c(SC(C)C)c1-c1ccccc1 4114642 BUUMGZDXIJHTSE-UHFFFAOYSA-N 353.556 6.903 0 40 FKAB CSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 4517414 IUOBLWHQQZOHKX-UHFFFAOYSA-N 360.438 5.469 0 40 FKAB COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5458987 SPRCRJFJKWTOIK-RBBKRZOGSA-N 355.441 5.191 0 40 FKAB FC(F)(F)c1cnc(CCc2ccc(Cl)cc2Cl)c(Cl)c1 5756758 HFSBNURQSSBSCU-UHFFFAOYSA-N 354.586 5.846 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(C)c2)cc1 6721411 IXTQWBBQOBHRDH-LADGPHEKSA-N 354.453 5.546 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccnc1SC(F)F 6787607 FXIQCRFJAWPPAS-UHFFFAOYSA-N 370.424 5.239 0 40 FKAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1C(F)(F)F 8262900 JJQGDWCQTWVWAP-INIZCTEOSA-N 353.771 5.240 0 40 FKAB Cc1ccc(NC(=O)CCCC(=O)c2cccs2)cc1C(F)(F)F 12785433 MBVBENAXOJVSAM-UHFFFAOYSA-N 355.381 5.067 0 40 FKAB O=C(Cc1c(F)cccc1Cl)N[C@H]1CCSc2ccc(Cl)cc21 14251214 STIZTMPULGCKKN-HNNXBMFYSA-N 370.276 5.028 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccsc3)n2)cc1)c1ccccc1 15518769 NDNVCRWFHVZKSG-UHFFFAOYSA-N 362.479 5.791 0 40 FKAB O=C(CSCc1ccc(Cl)s1)Nc1cccc(Cl)c1F 23224324 VFRZKUZMYHLMFH-UHFFFAOYSA-N 350.267 5.066 0 40 FKAB Cc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1 28404580 NAXSMEASKCVQRZ-UHFFFAOYSA-N 373.456 5.164 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(Cl)c1 44883508 MZBIHUYYUQFXMF-FQEVSTJZSA-N 353.849 5.598 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 72217390 YJKXIAXMXWGXKD-HNNXBMFYSA-N 350.528 5.434 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 78811923 NOTIQUSPUUHHEH-SSBOMWKGSA-N 360.538 5.166 0 40 FKAB Clc1cc(Cl)c(OC(Cl)(Cl)Cl)c(Br)c1 95215529 PUYCBKMTOPPDLU-UHFFFAOYSA-N 359.261 5.462 0 40 FKAB O=C(O)/C=C(/CCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 98208375 KXEKGLNMBLODQT-PGMHBOJBSA-N 362.856 6.108 0 40 FKAB in-vitro CCOc1ccc2c(c1)-c1c(ss/c1=N/C1CCCCC1)C(C)(C)N2 100685720 ZUQKIVGSHACJIF-XUTLUUPISA-N 374.575 5.769 0 40 FKAB CC(C)c1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 101972295 ORVQZBOBMKTHDR-LJQANCHMSA-N 350.853 5.111 0 40 FKAB C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223243856 GYLWGMSXLQZKJL-HNNXBMFYSA-N 373.949 5.578 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 225508246 POQDMSWJHJCCCR-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Cl)cc1 226093100 MVLMMWBTIGLSLL-UHFFFAOYSA-N 366.686 5.480 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 408628792 AIOJSQUIWRWXME-SFHVURJKSA-N 366.505 5.353 0 40 FKAB CC(C)CCC[C@@]1(C)Oc2ccc(CC(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265533 GTSLHQWOTIHRKK-IODINVCISA-N 360.494 5.147 0 40 FKAB COc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1OC 1463378 ZTYMEPUBWTZINN-NRFANRHFSA-N 365.454 5.655 0 40 FKAB Cc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1C 2411627 PWMIRWSSJDKBAY-UHFFFAOYSA-N 356.454 5.314 0 40 FKAB CCc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 2684348 OKTBDNCZARAGSU-UHFFFAOYSA-N 351.901 5.374 0 40 FKAB O=P1(N2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 3177923 OSGQUNULYPGAQH-UHFFFAOYSA-N 369.426 5.341 0 40 FKAB O=C(Oc1cccc(F)c1)c1ccccc1OCc1ccc(Cl)cc1 3284587 IWNYBCSEASPDMK-UHFFFAOYSA-N 356.780 5.277 0 40 FKAB C[C@H]1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 4075715 NHCMKBJKAXCJTB-HNNXBMFYSA-N 362.498 5.111 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1cccs1 4088187 FJFQXIFYGSVLOR-QGZVFWFLSA-N 373.934 5.005 0 40 FKAB CCOc1ccc(Br)cc1/C=C/c1nc2ccccc2s1 4091662 JHTZMJFEQFZMJX-JXMROGBWSA-N 360.276 5.628 0 40 FKAB Clc1ccccc1/C=C/c1nc2ccccc2nc1Sc1ccccc1 4309753 HAZILPUFRCAAOG-CCEZHUSRSA-N 374.896 6.605 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)c1ccccc1 4698667 JWNMZYLANVDJON-BXKMTCNYSA-N 370.496 5.991 0 40 FKAB O=C(c1ccccc1)[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 4828204 GIHDCHXTKNIOSW-GOSISDBHSA-N 362.410 5.046 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2)N3)C1 5274746 SXHAKQLTSBVHCG-CHXPKVSTSA-N 366.530 5.669 0 40 FKAB COc1cccc(C(=O)Nc2ccc(/C=C/c3nc4ccccc4o3)cc2)c1 5720991 GLPCVSUDRPSEBY-SDNWHVSQSA-N 370.408 5.259 0 40 FKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)c1 6629910 KOGCCXOTLFXABJ-XNTDXEJSSA-N 350.506 5.617 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1 6652119 IHDGDMLFPOVYBS-HUUCEWRRSA-N 353.849 5.138 0 40 FKAB CCN(CC)c1ccc2nc(C)c(CN(CC)C3CCCCC3)c(O)c2c1 8717381 LRVGCCIZLWCWJA-UHFFFAOYSA-N 369.553 5.250 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCCCC2)cc1 10370362 CPKIJJXIPQCTMQ-UHFFFAOYSA-N 370.496 5.592 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@H]1CCC21OCCO1 13400156 JWVPKJKRSPZPMN-ROMHJBHXSA-N 350.930 5.300 0 40 FKAB biogenic COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 20451746 BCZREDWVXKKKMO-JTQLQIEISA-N 356.274 5.121 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl 20482552 ADOJMHMOPJXUFM-CYBMUJFWSA-N 358.652 5.443 0 40 FKAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 21023921 MAHLLBDUVVWDTD-UHFFFAOYSA-N 373.880 5.414 0 40 FKAB Cc1noc([C@H](C)Sc2ncc(-c3ccccc3)n2-c2ccccc2)n1 22831341 SQXZFPFCBSWOIY-AWEZNQCLSA-N 362.458 5.084 0 40 FKAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1coc(-c2ccc(Cl)cc2)n1 23355981 CRMQEOZEKBEYNI-GFCCVEGCSA-N 362.807 5.466 0 40 FKAB Cc1ccsc1CNC(=O)c1ccccc1SCc1ccsc1 25718988 LZJJBPVVHWHCMR-UHFFFAOYSA-N 359.541 5.340 0 40 FKAB COc1cc2sc(NC(=O)c3ccc(C)c(Cl)c3)nc2cc1Cl 32127654 LZAMYFPVXATMGX-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Br)cc1 32692527 MJDXCGXXNHWSAH-UHFFFAOYSA-N 372.287 5.333 0 40 FKAB O=C(c1cccc(Cl)c1)N1CCc2sccc2[C@@H]1c1cccs1 32781457 BKBXTLQLVWSKHH-QGZVFWFLSA-N 359.903 5.251 0 40 FKAB COc1ccccc1[C@@H](C)N(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 75109080 DJMBPTFNXLRMTF-OAHLLOKOSA-N 370.880 5.505 0 40 FKAB Cc1ccc2c(c1)N1C(=O)c3ccccc3[C@@H]1C1=C(O)CC(C)(C)CC1=N2 100631356 AAGWFTBKDXQEOP-OAQYLSRUSA-N 358.441 5.415 0 40 FKAB Cc1ccc(Sc2c(C(F)(F)F)nn(-c3ccccc3)c2O)cc1 100888894 HHQAUBVTHBQUAZ-UHFFFAOYSA-N 350.365 5.056 0 40 FKAB C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 106013712 NDHOPVCXDQDCPC-RYCFVGSHSA-N 357.497 5.072 0 40 FKAB COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118923200 JCEJAUVYYGKDSZ-GLRRTJSDSA-N 360.582 6.235 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H]4C(F)(F)[C@@]45C=CCC[C@]5(C)[C@H]3CC[C@@]21C 118936519 SGMJHXMWTPRENE-KOWYNTSXSA-N 364.476 5.372 0 40 FKAB CCc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 199408231 VKNHNGUGJMTBMS-UHFFFAOYSA-N 360.379 5.239 0 40 FKAB CCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 216357058 DXMPPUJLOGDQAU-UHFFFAOYSA-N 356.469 5.064 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 216366787 YSVBPBIUCQDPQD-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 216455538 VHUCWTSJKCHSRD-LJQANCHMSA-N 374.267 5.943 0 40 FKAB Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 219850668 CJLHWQHMNHAHOY-UHFFFAOYSA-N 363.288 5.157 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc2ccccc12 222898140 OEXLYDQNPYSVFJ-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COCC(C)C 224736092 ATYOIKSNYDSRQT-UHFFFAOYSA-N 355.478 5.127 0 40 FKAB Cc1ccc(C(=O)NCCSCc2cccc3ccccc23)c(Cl)c1 225005914 HREHTFNHGYSJLE-UHFFFAOYSA-N 369.917 5.465 0 40 FKAB CC(C)C(NC(=S)Nc1ccc(CSc2ccccc2)cc1)C(C)C 225326990 MWYMWAIRXXSKEY-UHFFFAOYSA-N 372.603 5.946 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ccccc12 225828051 DISFCTGLTFCVIP-QHCPKHFHSA-N 371.521 5.943 0 40 FKAB Cc1ccc2c(c1)[C@@H]1Oc3ccc(C)cc3[C@@H]3Oc4ccc(C)cc4[C@H](O2)N13 230126866 OTYZCQBRBUIEJS-HJOGWXRNSA-N 371.436 5.487 0 40 FKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc(C)c1 408560513 DAKVSLURZBODDW-FCQUAONHSA-N 364.514 5.211 0 40 FKAB CCCN(Cc1ccccc1)C(=O)NC(=S)c1cccc2ccccc12 408733094 WBDPWSXVLIBXPQ-UHFFFAOYSA-N 362.498 5.137 0 40 FKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408808545 JHGMYNUQLBUMFW-UHFFFAOYSA-N 364.277 5.065 0 40 FKAB CC(C)Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccncc1 409106803 MVFURPHJRJUBOX-UHFFFAOYSA-N 374.513 5.442 0 40 FKAB C[C@H](CC(=O)c1ccc(COc2cc(F)ccc2F)cc1)CC(C)(C)C 575358402 SEEFVPPJZXNLPE-OAHLLOKOSA-N 360.444 6.189 0 40 FKAB COCC1(C2CCC2)CN(C(=O)Nc2c(C)cc(Cl)c3ccccc23)C1 666726575 DVPGNDKDSCLPMC-UHFFFAOYSA-N 372.896 5.082 0 40 FKAB COc1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccccc32)cc1 677449 LYIJJTJVXKPFFF-NTCAYCPXSA-N 359.450 5.538 0 40 FKAB Cc1cc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 1787178 DKMYVGMBGUMRNS-UHFFFAOYSA-N 372.679 5.753 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C)c2)cc1 2246359 PEBQSCKVJCITMQ-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB O=C(CCc1cccc(Br)c1)c1ccc(Br)cc1 2516708 PLAVHEHOFWCYOO-UHFFFAOYSA-N 368.068 5.027 0 40 FKAB C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)S1 3145724 PSRLLIWLKSTLSC-NSHDSACASA-N 363.845 5.009 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1 4129561 QAFFTUGPUQQYIK-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB O[C@@H](CN1CCC[C@H]2CCCC[C@@H]21)c1cc2c(c3ccccc13)CCCC2 4409372 UTZUPMNYTGCZNO-YWWLGCSWSA-N 363.545 5.407 0 40 FKAB Fc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 4413829 WMBDFQTYBJOMFT-UHFFFAOYSA-N 361.441 6.440 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 4660352 GPWCZEPSOYPSES-UHFFFAOYSA-N 372.679 5.753 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2F)nc1-c1ccc(Cl)cc1 4699206 UWQOBWRMKXVMKS-UHFFFAOYSA-N 374.868 5.807 0 40 FKAB Cc1ccccc1NC(=O)c1csc(-c2ccccc2)c1-c1ccccc1 4953286 VBCTVUIGGODZNY-UHFFFAOYSA-N 369.489 6.643 0 40 FKAB CC1(C)c2ccccc2N2C(c3ccccc3)=NN(c3ccccc3)[C@@]21C 5499033 RPIRGGPVGRSXOP-XMMPIXPASA-N 353.469 5.382 0 40 FKAB CCN(CC)c1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 5694672 VRIDLZVRKFKKAO-UHFFFAOYSA-N 352.261 5.197 0 40 FKAB O=C(Oc1ccc(Cl)c2cccnc12)N(c1ccccc1)c1ccccc1 5774205 JOHVYYOBAVCELH-UHFFFAOYSA-N 374.827 6.225 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1C(F)(F)F 6331767 FZEUMXSRRKNBFH-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB Cc1noc(C)c1CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 6933425 IMFRQAPIXMYXGG-UHFFFAOYSA-N 369.924 5.214 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3nc(-c4ccccc4)oc3C)sc2c1 6947563 XJGUIBPABPFUCF-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1cccc(NC(=O)c2cccs2)c1 7132980 PEGMIOKNAPHRPZ-UHFFFAOYSA-N 374.824 5.045 0 40 FKAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(Cl)cc2)cc1 7275405 YMYXAGUXPDSDEN-UHFFFAOYSA-N 370.880 5.010 0 40 FKAB O=C(CCc1cccs1)N1CCCC[C@@H]1c1nc2ccccc2s1 8394273 XLSUYUJJXRJDCV-MRXNPFEDSA-N 356.516 5.044 0 40 FKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1 8535310 YKVGKDBEVMCXNS-MRXNPFEDSA-N 369.867 5.909 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccc(C)cc1 8550129 GORJYHMVPPOKGR-UHFFFAOYSA-N 353.506 5.395 0 40 FKAB CCCCCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8902944 SHDOIRSSMUPSPP-UHFFFAOYSA-N 350.462 6.137 0 40 FKAB O=C(NCc1ccc(OC(F)F)cc1)c1sc2ccccc2c1Cl 11511437 ALKTXCJHMMQFLF-UHFFFAOYSA-N 367.804 5.086 0 40 FKAB Cc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)c(Cl)c1 11618694 YBZPTOVZUHXVBA-UHFFFAOYSA-N 350.849 5.366 0 40 FKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccccc3Cl)cc2)cs1 12565051 HBCABBLCSLQIFK-GFCCVEGCSA-N 371.893 5.211 0 40 FKAB CC[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 15603388 JVZCHCPZACWNHS-OAHLLOKOSA-N 357.544 5.089 0 40 FKAB Clc1ccc(COc2ccccc2CNC2CCCCC2)c(Cl)c1 16449619 WWBZEYKKQVLTND-UHFFFAOYSA-N 364.316 5.995 0 40 FKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN21 17118372 PXWPTMQPXMKXRK-URXFXBBRSA-N 370.452 5.246 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 19933600 HHDHSNRKOWJYLF-DNVCBOLYSA-N 361.938 5.705 0 40 FKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1C 20492877 ZZUXKMLUGMGPSV-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB Cc1ccc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCC2)cc1 29649371 IQKXGUFJEZOZJK-UHFFFAOYSA-N 364.514 5.024 0 40 FKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1 32623032 RPTVXCZQWOWLTD-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB O=C(CCC1CCCCC1)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32647811 UCNCOJGEGWIHET-UHFFFAOYSA-N 363.864 5.023 0 40 FKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(Br)s1 32753911 FBBWCMNPCTWBDG-SNVBAGLBSA-N 364.264 5.090 0 40 FKAB C1SC2=C(S1)SC(=C1SC3=C(SCS3)S1)S2 34140209 YAHVGMRXXZDSOK-UHFFFAOYSA-N 356.656 6.201 0 40 FKAB in-vitro COc1ccc(Cl)cc1Nc1nc(-c2ccccc2Cl)cs1 67321799 DXRCVAKFQFWHDQ-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB COc1cc(C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1 70674866 LQYFBRRPSOREFO-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215579 YENKQSBGNWHDQB-IBGZPJMESA-N 373.541 5.313 0 40 FKAB Cc1ccc(COc2cccc(CNc3ccc(Cl)cc3Cl)c2)cc1 106974366 DKIIQZNWRJYRGC-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@@](C)(OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118933752 OTKXVHPLBZXHOI-DTILQVPTSA-N 358.522 5.411 0 40 FKAB O=C(CCc1ccc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCO2 199737302 HMHOMVABWLBJGC-UHFFFAOYSA-N 354.789 5.144 0 40 FKAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@H](c2ccccc2)CC1 211141802 LVZCZRFGOALGAO-KRWDZBQOSA-N 365.420 5.026 0 40 FKAB O=C(CCc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1 218813994 BWARLCYJAAWIQJ-UHFFFAOYSA-N 372.493 5.212 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224940739 XVFCKDUOAWKGHA-KRWDZBQOSA-N 354.519 5.105 0 40 FKAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c2ccccc12 225820950 QDSKHGIQYKWWGA-JOCHJYFZSA-N 357.494 5.408 0 40 FKAB Ic1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 226300302 CFJHMKZKOCWVBG-UHFFFAOYSA-N 371.177 5.253 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 408628755 XBGPYORRGWVRBE-UHFFFAOYSA-N 371.440 5.189 0 40 FKAB CCCCSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 409106599 OEDOEVIJNUQVPB-UHFFFAOYSA-N 353.491 5.225 0 40 FKAB Cc1ccccc1C[C@]1(C)CCc2cc(-c3cccc(C(=O)O)c3)ccc2O1 585265879 USCRTATXOFWVDP-VWLOTQADSA-N 372.464 5.687 0 40 FKAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC(c2ccon2)CC1 666725676 OMIFMFWFKKBBRO-UHFFFAOYSA-N 369.852 5.201 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccnc1Cl 803451 RVBRBPXTTKBUAD-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB Cc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@@H]32)c1 828881 HEBTXPGHJAJQOE-OFNKIYASSA-N 355.462 5.775 0 40 FKAB COc1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1OC 924799 QGLMIRKSSZNPNW-UHFFFAOYSA-N 367.489 5.126 0 40 FKAB Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 1081639 RCOLKTYEGSBKSD-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1c(C)cc(C)cc1C 1264197 LAXVYNYBEBIRDG-AATRIKPKSA-N 364.272 5.579 0 40 FKAB C[C@H]1CCCCN1Cc1ccccc1COC(=O)c1cccc(Cl)c1 1716185 MIYNVVIJXDGXRU-INIZCTEOSA-N 357.881 5.071 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(C)c1 2135328 OXOWNWRVEOHZLQ-UHFFFAOYSA-N 374.322 5.924 0 40 FKAB CCCC(=O)Nc1c(-c2ccccc2Cl)c(=O)c2ccccc2n1CC 2203703 JABDFNBJEIAILF-UHFFFAOYSA-N 368.864 5.080 0 40 FKAB CCCCCOc1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1 3067898 IPZYQJIDMSVYID-UHFFFAOYSA-N 351.421 5.800 0 40 FKAB Cc1nc(SCc2c(C)noc2C)c2cc(-c3ccccc3)sc2n1 3268917 YDVNOJSAVYWECA-UHFFFAOYSA-N 367.499 5.564 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc3c(s2)-c2cc(C)ccc2SC3)c1 4091854 MBYKDNZXJPKMEL-UHFFFAOYSA-N 365.523 6.198 0 40 FKAB O=C(/C=C/c1cccs1)Nc1nc2c(s1)CSc1ccccc1-2 4200629 YVIIWALQGDSSIN-BQYQJAHWSA-N 356.497 5.129 0 40 FKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 4494616 ZRAILPBBQPCDMZ-UHFFFAOYSA-N 370.477 5.719 0 40 FKAB O[C@@]1(c2ccccc2)OC(c2ccccc2)(c2ccccc2)c2ccccc21 4683127 WJEOSIAOQFJNER-SANMLTNESA-N 364.444 5.202 0 40 FKAB CCc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 4715615 NAGZXOJGCKVCCF-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 4800427 JQFJCZLXIZZREM-UHFFFAOYSA-N 364.301 5.005 0 40 FKAB O=C(CNc1ccc(Cl)cc1F)Nc1ccc(Oc2ccccc2)cc1 6602394 JXUKDJHYFPZMOV-UHFFFAOYSA-N 370.811 5.322 0 40 FKAB CCCCOc1ccc(OCC(=O)Oc2cccc3ccccc23)cc1 7261877 PSODWJAXVYUHOX-UHFFFAOYSA-N 350.414 5.003 0 40 FKAB CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 8090640 PNWLTCWLDCRGCY-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3ccc(COc4ccccc4)o3)on2)cc1 8345691 RLSPHFRTYHCPAD-UHFFFAOYSA-N 374.396 5.074 0 40 FKAB c1ccc(SCCN2CCC(c3nc4ccccc4s3)CC2)cc1 9486540 CGMMNFYWUIYTTR-UHFFFAOYSA-N 354.544 5.268 0 40 FKAB O=C(Nc1ccccc1Br)c1cccc(Oc2ccccc2)c1 12908753 QLTXNVJTLQHVHU-UHFFFAOYSA-N 368.230 5.494 0 40 FKAB c1ccc(CSc2cc3nc4ccccc4n3c(-c3ccccc3)n2)cc1 13233861 KTVBSVJQKBXIRG-UHFFFAOYSA-N 367.477 5.842 0 40 FKAB Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 15953139 FMGRGIOUUGFHJP-UHFFFAOYSA-N 351.473 5.136 0 40 FKAB O=C(NC1CCCCCCC1)c1ccccc1Nc1cccc2ccccc12 16545047 HPTICAHOXFJVHA-UHFFFAOYSA-N 372.512 6.426 0 40 FKAB CCCCc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 18154661 KZIRQVGHUMLULP-UHFFFAOYSA-N 357.461 5.210 0 40 FKAB Cc1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 19736135 SMSOETFRDXBHDJ-UHFFFAOYSA-N 368.521 5.190 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(Cl)cccc1Cl 20461483 BZMZMCHZJJPVNG-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB Fc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1 20509733 OVAWFCVAQUXBFC-IBGZPJMESA-N 363.367 5.216 0 40 FKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c2ccccc2)cc1 30849589 PUSDPHBAZOCRFI-HYBUGGRVSA-N 373.496 5.285 0 40 FKAB Cc1nc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2o1 32721453 FPMSMWARTYWSTP-UHFFFAOYSA-N 356.425 5.174 0 40 FKAB CCCN(C(=O)[C@@H]1CC=CCC1)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 40150687 BXKPEVPFNLVXDL-RBUKOAKNSA-N 366.505 5.081 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 44948095 NWQVBZYANIWYEJ-QHCPKHFHSA-N 359.469 5.302 0 40 FKAB CCCCc1ccc2nc(Nc3nc4ccc(C)c(C)c4o3)sc2c1 57352885 JKHASQMZHFLYPJ-UHFFFAOYSA-N 351.475 6.141 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(Br)cc3)nc(C)c2C)cc1 58158975 LDRJDJZRQAXZOA-UHFFFAOYSA-N 368.278 5.575 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212135 OLOANEDIOIJOHC-NRFANRHFSA-N 374.440 5.348 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccc2cc[nH]c2c1 96115218 UZIQLIYSZNKGMT-QGZVFWFLSA-N 363.848 5.110 0 40 FKAB biogenic COc1ccccc1[C@@H]1Sc2ccccc2N=C2C[C@@H](C)CC(O)=C21 102674814 BUPLWERNDNVRSI-ASSNKEHSSA-N 351.471 5.857 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C 223453875 VBXAVKFYYHKLHI-OALUTQOASA-N 361.485 5.410 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924664 MOOBFSNXWVMYBH-HSZRJFAPSA-N 374.484 5.236 0 40 FKAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225085295 BVZHVFJNCIAGRO-KRWDZBQOSA-N 367.272 5.366 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225508955 QPYJGZMNYYIEIA-GOSISDBHSA-N 351.490 5.623 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 225630283 GPNMBINWPQRBOE-DEOSSOPVSA-N 355.481 5.393 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)nc1 225872815 WPYVMPYMBPUIFD-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(C)cc3)nc2c1 226282027 FYRGJDVHFHRZQU-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)c1 227148137 YENFXNOYSFPSLH-JXMROGBWSA-N 373.239 5.488 0 40 FKAB Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 409102128 YARPNNMYTXOFGL-UHFFFAOYSA-N 371.509 5.459 0 40 FKAB CCOc1ccc(C2=C[C@@H](c3cccc(OC)c3)c3ccccc3O2)cc1 708912 FBCQMTBRYVJMGM-QFIPXVFZSA-N 358.437 5.659 0 40 FKAB biogenic COc1ccc2c(Cl)c(C(=O)Nc3cccc(C(C)=O)c3)sc2c1 784465 FSYXWTRNTPUSND-UHFFFAOYSA-N 359.834 5.018 0 40 FKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1 848965 BLCMPSHTVKDFIN-UHFFFAOYSA-N 371.440 5.440 0 40 FKAB Cc1sc(-c2ccc(Cl)cc2)nc1OCc1ccc(Cl)cc1 1385767 YFZIKJNMHSNTDC-UHFFFAOYSA-N 350.270 6.004 0 40 FKAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccccc1 1433007 IREJLGTUKDAOMD-UHFFFAOYSA-N 373.433 5.003 0 40 FKAB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1ccccc1Cl 1448894 YINLHAGRRRHCPQ-QFIPXVFZSA-N 373.839 5.835 0 40 FKAB Clc1cc(Br)c2c(Cl)ccnc2c1Br 1710743 XBJDXWCPIZHOCR-UHFFFAOYSA-N 355.844 5.067 0 40 FKAB O=c1oc2ccccc2c2c1[C@H](c1ccccc1)C=C(c1ccccc1)O2 1743652 KJTMYOPCEJVZFO-IBGZPJMESA-N 352.389 5.358 0 40 FKAB Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl 2131909 MUIAPJASXAQQTF-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1 2450642 VLGFXBNRKUGUSG-UHFFFAOYSA-N 374.307 5.020 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@H]1C[C@H]1c1ccccc1 2747028 QJLYBIFURXAANY-PMACEKPBSA-N 370.477 5.706 0 40 FKAB Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)cc1C 3029251 PYBIDEJVOONMQF-UHFFFAOYSA-N 361.397 5.046 0 40 FKAB COc1ccc(SCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 3128412 XDFHGNXOTFKUIR-UHFFFAOYSA-N 372.436 5.002 0 40 FKAB O=C(c1ccccc1)N(CCc1ccccc1)c1nc2ccccc2s1 3337132 QBJYXRMYRCRTGQ-UHFFFAOYSA-N 358.466 5.186 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1OC(F)F)CC2 5832349 BLDMJEXNCNEYAN-ACCUITESSA-N 367.351 5.021 0 40 FKAB CCOc1ccc(C2=NN=C(c3ccc(C)cc3)Nc3ccc(F)cc32)cc1 5904742 NDCLLILZESJQDZ-UHFFFAOYSA-N 373.431 5.158 0 40 FKAB CC(C)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6346886 UVVORDOBTNTPCW-UHFFFAOYSA-N 356.775 6.126 0 40 FKAB COc1ccc(-c2coc3cc(Nc4cccc(OC)c4)ccc3c2=O)cc1 6671778 MHKQFOXXRYLCDJ-UHFFFAOYSA-N 373.408 5.221 0 40 FKAB biogenic COc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(C)cc1 7523505 BFZMQHMIAASVLI-UHFFFAOYSA-N 367.533 5.785 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)c(Cl)c1 7706135 ZXEORXVNEMAVSC-JTQLQIEISA-N 365.285 5.436 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 8499110 NPMZEBVKTGEMPI-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB C[C@H](NCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 8534268 WQFZPKNIEKBXCQ-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB Cn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 10278758 XUBOPFMUUKQKSC-UHFFFAOYSA-N 357.482 5.364 0 40 FKAB COc1ccc(/C=C(/C(=O)N2CCCc3ccccc32)c2ccccc2)cc1 10449473 WIVIMDNUDLZRKD-PTGBLXJZSA-N 369.464 5.215 0 40 FKAB Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)-c1ccccc1CC2 12636534 TYOFMJOTTDUPOL-UHFFFAOYSA-N 359.831 6.460 0 40 FKAB FC(F)(F)c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 13823381 ZOAABJICFHMDSF-MRXNPFEDSA-N 350.409 5.069 0 40 FKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C)cc2C)cc1OCC 16317302 ZHNXMMHWOZPDJA-INIZCTEOSA-N 372.534 5.148 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1(c2ccccc2)CCOCC1 16985282 GIIXLQCGAROTJN-UHFFFAOYSA-N 373.452 5.166 0 40 FKAB O=C(Cc1ccc2ccccc2c1)N[C@H](c1ccccc1)c1cccs1 20018844 BMUKJNIPWQQBDJ-HSZRJFAPSA-N 357.478 5.350 0 40 FKAB CCOc1cccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)c1 27664005 RXZJILMGQJSVCZ-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB CCC(CC)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC 28284524 UAAKJWFLEMHYRH-UHFFFAOYSA-N 363.454 5.024 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)c(C)c1 38651981 ZYNREHJVIKCLTE-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB c1ccc(Cc2cccc3nc(-c4ccc(-c5ccccc5)cc4)oc23)cc1 57352801 XEHXNWNEWHVBIN-UHFFFAOYSA-N 361.444 6.753 0 40 FKAB Cc1ccc(C2=NN[C@@H](c3ccc(N(C)c4ccccc4)cc3)S2)cc1 59488132 HUBRGMWDDMBFCH-JOCHJYFZSA-N 359.498 5.460 0 40 FKAB C/C(=C\C(=O)N(c1ccccc1)c1nc(C)cs1)c1ccc(F)cc1 98052620 PZWXGIBYMQJLBP-WYMLVPIESA-N 352.434 5.359 0 40 FKAB COc1ccc(-c2c/c(=N\Cc3ccccc3)c3cc(C)ccc3o2)cc1 101083445 YYRPKLLTYJORNS-YYDJUVGSSA-N 355.437 5.518 0 40 FKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 106703451 OMTCUNPHYIJVIL-UNOMPAQXSA-N 367.470 5.019 0 40 FKAB CC(=O)OC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OC(C)=O)C1 118929724 IYRUIMPGYISENA-LBRICPRVSA-N 374.521 5.018 0 40 FKAB O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 199407107 JCGGVPHAYANNFK-NRFANRHFSA-N 358.828 5.571 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc2c(c1)CCCC2 223097047 UYJWXKHRFXIKJU-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB O=C(Cc1ccccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 225436494 GKONEZBGHATMLT-UHFFFAOYSA-N 372.251 5.967 0 40 FKAB Cc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1C 225567806 CDCJZNCBMSGHLZ-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225702345 LUEUSFVRURCSKP-HSZRJFAPSA-N 369.505 5.580 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2ccccc12 225794298 PRTWZBGITAFMMC-OPAMFIHVSA-N 357.494 5.407 0 40 FKAB Clc1ccc2nc(CCc3nc4ccc(Cl)cc4s3)sc2c1 226248775 DXGFCOHBXHFDKG-UHFFFAOYSA-N 365.310 5.998 0 40 FKAB Nc1nc2c(Br)cc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302859 LUHLFTBJLVSKHX-UHFFFAOYSA-N 363.324 5.109 0 40 FKAB COc1ccc(C[C@H]2C3=C(CCCC3)CCN2C(=O)OC(C)(C)C)cc1 725385010 XWDOIPATDMHITG-FQEVSTJZSA-N 357.494 5.118 0 40 FKAB CCOc1ccc2nc(SCC(=O)c3c(C)cc(C)cc3C)sc2c1 645792 IKBGWGJEJNUZSH-UHFFFAOYSA-N 371.527 5.595 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 842359 IUHJSLSGDWJSEL-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB COc1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c(OC)c1 1295680 PEYFKWAIEGTKHY-UHFFFAOYSA-N 371.440 5.366 0 40 FKAB biogenic CCc1nc2c(c(N3CCCCC3)n1)C1(CCCCC1)Cc1ccccc1-2 2227781 HFZNLDWLSPTWGT-UHFFFAOYSA-N 361.533 5.454 0 40 FKAB Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1Br 2652640 WFQDNLSJNILWEE-UHFFFAOYSA-N 366.258 5.677 0 40 FKAB CCCCCOc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 3067875 RHRMACIGLREWCG-UHFFFAOYSA-N 370.474 5.128 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3237330 QGOHRDVFXJNDIT-AOCRQIFASA-N 373.537 5.534 0 40 FKAB COc1ccc(CNCC[C@@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)cc1 4085676 LAKDINKJQJHSDQ-RTWAWAEBSA-N 361.570 5.433 0 40 FKAB biogenic Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(c1ccccc1)C(C)C 4105028 SQDBLMPSULARMA-UHFFFAOYSA-N 372.827 5.498 0 40 FKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4524963 UFQISGODMCVDRI-NPWSMHQMSA-N 374.311 5.634 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccccc2Nc2cccc(C)c2C)c(C)c1 5694677 JTHNLZCOHKUUOW-UHFFFAOYSA-N 358.485 6.225 0 40 FKAB CC(C)(C)c1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2)cc1 6858838 AUAGXBKKUWARAX-UHFFFAOYSA-N 366.530 5.166 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 9134976 VVZJLJFJGIIGFE-UHFFFAOYSA-N 372.424 5.222 0 40 FKAB c1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9199762 MQYKGDPIQUDGOD-UHFFFAOYSA-N 358.466 5.542 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C 12227106 DCBWXUDHQPGXBY-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 12760917 ZIIDZLWLEHAJKS-UHFFFAOYSA-N 356.878 5.059 0 40 FKAB CC(=O)c1sc(NC(=O)/C=C/c2ccc(C)s2)nc1-c1ccccc1 12818453 GWBWLTCYIFXBOE-ZHACJKMWSA-N 368.483 5.035 0 40 FKAB Cc1ccc(C(=O)[C@@H](Sc2nc(C)cs2)c2ccc(C)cc2)cc1 15279613 VISXVMUBPNJJHY-IBGZPJMESA-N 353.512 5.785 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(C)cc1 20104379 UZOPWEMENBRCBE-JOCHJYFZSA-N 361.485 5.055 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(-c2cccnc2)nc2ccccc12 21935080 GSGSRMKRBYYCNN-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)cc1 22073925 PDUZYYWJNDTIGJ-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)c2nc(C(C)(C)C)no2)c1 24046769 QWXYMMZPICDPOO-AWEZNQCLSA-N 356.495 5.023 0 40 FKAB CCN(C(=O)c1oc2ccc(Br)cc2c1C)c1ccccc1 24832832 RWJLLRUIGNIDRT-UHFFFAOYSA-N 358.235 5.170 0 40 FKAB CSc1nnc(COc2ccc(Cl)cc2C2CCCCC2)s1 58005935 WOZVZJWFFYOMDA-UHFFFAOYSA-N 354.928 5.540 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997146 BYSLGANAMGITCK-UHFFFAOYSA-N 370.836 5.343 0 40 FKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc(Cl)c1 72229859 NTFRYKMCOKWCJY-IBGZPJMESA-N 372.251 5.327 0 40 FKAB Cc1cc(-n2cnnc2)cc2nc(-c3cccc4c(Cl)cccc34)oc12 73639411 XOTHAGSPHMKZER-UHFFFAOYSA-N 360.804 5.191 0 40 FKAB CCN(CC)c1ccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)cc1 73739986 OHCIUENXHQQWOW-UHFFFAOYSA-N 356.473 5.121 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC 78551754 DCMCJHPROXHUCH-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nc2ccsc2s1 84636325 JZPMEIJRUXRWNK-LBPRGKRZSA-N 357.504 5.190 0 40 FKAB CC[C@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2)c1ccc(C(C)C)cc1 103687855 AAHZXAGVHHRLCY-NAUAUODVSA-N 367.577 6.374 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 222935091 UDWQWOWKUQONHI-MGPUTAFESA-N 357.469 5.158 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2OC(C)C)c1 223334113 LRMOFBSZSHQARL-QGZVFWFLSA-N 355.478 5.312 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl 225524794 WPHVTCUYBVAYME-UHFFFAOYSA-N 364.272 5.453 0 40 FKAB C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C(C)(C)C)cc1 225616918 REEOPVBUJDCCDC-AWEZNQCLSA-N 374.322 5.167 0 40 FKAB O=S(=O)(Oc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl 225701441 LGPQGVBPWOVECD-UHFFFAOYSA-N 372.056 5.068 0 40 FKAB CCO[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@@H](C)C1 225713456 WLLNRIPLQPUHDG-JPYJTQIMSA-N 367.489 5.190 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2cccnc12 225865513 SVXSXZKHOVTQKC-UHFFFAOYSA-N 360.457 5.084 0 40 FKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc(F)cc2)c1 409110472 WHPJPBONRCDWDP-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Nc2ccccc2)cc1 723735 KKMGJEBWJZDQMJ-UHFFFAOYSA-N 368.436 5.601 0 40 FKAB Cc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1F 2212983 FSVDOZNTUKGGLQ-UHFFFAOYSA-N 360.417 5.145 0 40 FKAB FC(F)(F)c1cc(Br)c(Br)cc1C(F)(F)F 2243793 DKBJVNSDZPQGPC-UHFFFAOYSA-N 371.900 5.249 0 40 FKAB biogenic CC(C)Cc1ccc([C@@H](C)c2nnc(-c3ccccc3C(F)(F)F)o2)cc1 2387780 GDOGNOLENLRXAB-CQSZACIVSA-N 374.406 6.106 0 40 FKAB Clc1cccc(Sc2snnc2-c2ccc(Cl)cc2Cl)c1 3118896 YBYAQQLZYWGWKV-UHFFFAOYSA-N 373.717 6.317 0 40 FKAB CCC(=O)Nc1ccc(-c2csc(N[C@@H](C)c3ccccc3)n2)cc1 3350997 SVNNJDHEIPTJAJ-AWEZNQCLSA-N 351.475 5.332 0 40 FKAB S=C(Nc1ccccc1)N1C[C@@H](c2ccccc2)C[C@H]1c1ccccc1 3846234 MVFHGMJMPOTYGN-UNMCSNQZSA-N 358.510 5.614 0 40 FKAB biogenic Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1C 4120316 WYVPYWQPTGHUJI-UHFFFAOYSA-N 362.395 5.175 0 40 FKAB C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccccc1 4663594 JOWSFZRBXSGBFR-SFHVURJKSA-N 354.453 5.181 0 40 FKAB FC(F)(F)c1cccc(-c2csc(-n3nccc3C(F)(F)F)n2)c1 5937166 MOOQDUMULLNMAE-UHFFFAOYSA-N 363.286 5.033 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccccc34)n2)cc1 6205375 SSMLVSZVTDQHNM-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB CC(=O)Nc1ccc(SCCOc2c(Cl)cccc2Cl)cc1 6596816 JEPHLNJSICLZQE-UHFFFAOYSA-N 356.274 5.123 0 40 FKAB Fc1ccc(-c2nc(CSc3nc(-c4ccccc4)c[nH]3)co2)cc1 12544582 BXGCKDQINKBDLJ-UHFFFAOYSA-N 351.406 5.163 0 40 FKAB CCCc1nc2ccccc2c(C(=O)Nc2cccc(C(C)=O)c2)c1CC 13137707 ARWZFOASVUUAFF-UHFFFAOYSA-N 360.457 5.205 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 13709365 GFRYIFXHVJKMRC-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB O=C(Nc1ccccn1)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 14982608 RFZWICAONXFLJJ-HNNXBMFYSA-N 363.288 5.691 0 40 FKAB Cc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1C 22237682 MKJVQRDDOORKFA-UHFFFAOYSA-N 351.475 5.089 0 40 FKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CCc2ccccc2-3)cc1 22460660 JQHRAGVIKSRFBW-UHFFFAOYSA-N 367.517 6.608 0 40 FKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1C[C@H]1c1ccc(F)cc1 29787069 YBGCSVBGBIKITC-RBUKOAKNSA-N 369.823 5.159 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 78458892 OULXLMOUFRGQTK-MOPGFXCFSA-N 353.506 5.380 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 219608685 PIMLQKFHPRYEIH-WOJBJXKFSA-N 359.897 5.401 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 222895424 ZJGPYFJJBKVKNN-QFIPXVFZSA-N 367.489 5.367 0 40 FKAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1-c1ccccc1 223085989 YEMAFVWXCPTYOM-UHFFFAOYSA-N 357.453 5.250 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224897870 SLILPTAURMGXNJ-CQSZACIVSA-N 360.910 5.060 0 40 FKAB Cc1cccc([C@@H](NC(=O)Cc2ccc(Cl)cc2F)c2ccccc2)c1 225217218 DHZIVHZWQHOYFL-QFIPXVFZSA-N 367.851 5.236 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1 225503985 YIDOPBRYZZHYRM-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525333 SECIYJBVCANBPZ-MRXNPFEDSA-N 371.908 5.968 0 40 FKAB Cc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c(C)c1 225827763 LPKFIPWFYXTXCE-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 226037667 DOGURXUVMQWMBS-UHFFFAOYSA-N 371.392 5.146 0 40 FKAB Cc1ccccc1-c1nc2cc(Br)cc(Br)c2[nH]1 226342785 RLIMNJSUVHUDNQ-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB COc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3C)cc2)cc1 408618288 FVRILHJCBMYAPH-UHFFFAOYSA-N 351.377 5.187 0 40 FKAB Clc1ccccc1CSc1nnc(COc2ccccc2Cl)o1 409011591 GNIAGMPZJTWAJU-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1C 409113647 FDJDSPPQGGOOJU-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB COc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 409116720 ONSZDAIEYLAHKT-UHFFFAOYSA-N 369.464 6.040 0 40 FKAB COc1ccc(-c2cc(CNc3nc4c(C)cc(C)cc4s3)on2)cc1 1776002803 DXASBHCKLXABMD-UHFFFAOYSA-N 365.458 5.189 0 40 FKAB Cc1cccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)c1 942476 NSEGNLIPGZNGFQ-UHFFFAOYSA-N 358.393 5.473 0 40 FKAB biogenic COc1ccc(C(=O)C[C@H](Sc2ccccc2)c2ccco2)cc1OC 947304 RDPSEWSRUREZFI-NRFANRHFSA-N 368.454 5.403 0 40 FKAB Cc1ccc(C)c(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 1779151 LJGGHPOPSOKKGX-UHFFFAOYSA-N 367.533 6.348 0 40 FKAB CCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1804908 GTJXVTLHOVUYOQ-UHFFFAOYSA-N 371.575 5.963 0 40 FKAB COc1ccc(-c2c(C)cc3cc(OC)c(OC)cc3c2C)cc1OC 2106549 ZUWNIMGEVHPARP-UHFFFAOYSA-N 352.430 5.158 0 40 FKAB biogenic C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=S)c1ccccc1 2271409 VEEQKUBKHAMLHU-LAUBAEHRSA-N 358.510 5.814 0 40 FKAB CCCCCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 2543667 XINFYOFDHGOEHD-UHFFFAOYSA-N 353.285 5.091 0 40 FKAB CCCCN(C(=O)c1cc2ccccc2o1)c1nc2ccccc2s1 3408052 SJXDHMXWJQAXTO-UHFFFAOYSA-N 350.443 5.489 0 40 FKAB CC(C)n1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 4115051 LETVQNXAIOBXNK-SFHVURJKSA-N 369.468 5.291 0 40 FKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)no1 4784135 KZAUQLKRLIDMJT-UHFFFAOYSA-N 370.714 5.168 0 40 FKAB O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1Cc1ccccc1 4844014 NUURBWCTQVPYCL-QNGOZBTKSA-N 372.855 5.170 0 40 FKAB CC(=O)[C@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 5835153 HVHYRVHDTSSVNF-HHFQUTRZSA-N 368.561 5.462 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2nc3c(s2)CCCCC3)cc1 12401534 HENBDXPPXDPZQC-HNNXBMFYSA-N 356.535 5.353 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(C)c1 12744964 GGISAVWNJQIKMG-UHFFFAOYSA-N 362.477 5.067 0 40 FKAB Cc1ccc(-c2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)o2)cc1C 13073782 YVRYHDIODRBQCG-UHFFFAOYSA-N 373.909 5.232 0 40 FKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13616364 PUOXIOJLSNXIOS-FYYLOGMGSA-N 374.871 5.891 0 40 FKAB Cc1cccc(CCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 13673027 JJZDIKDKDSBKDC-LYBHJNIJSA-N 355.481 5.285 0 40 FKAB CC[C@]1(C)Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 13810661 CGPCWSZRLBYPDI-XLIONFOSSA-N 356.853 5.018 0 40 FKAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 14396367 DGAUXVZDPZWWCR-GFCCVEGCSA-N 368.260 5.025 0 40 FKAB Cc1ccc(C)c([C@H](C)NCC(=O)N(Cc2ccco2)C2=CCCCC2)c1 16047192 SWADNKLAHFBLDN-IBGZPJMESA-N 366.505 5.034 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CCCC2)cc1 20096491 QNOAYKBTRYIJDH-UHFFFAOYSA-N 364.489 5.040 0 40 FKAB Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccccc1 22073933 VJJIYCCYSKFTPK-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccc(OC(F)F)cc1 23162432 XXJSHABVXQDLFF-QGZVFWFLSA-N 372.396 5.121 0 40 FKAB COCc1c(C(=O)N2CC[C@@H](C)Sc3ccccc32)oc2ccccc12 24584997 ZHIZHMGQFBATCR-CQSZACIVSA-N 367.470 5.110 0 40 FKAB COc1ccccc1CN(Cc1cccs1)Cc1cccc2cccnc12 25810055 FWIXRGYOXDITCP-UHFFFAOYSA-N 374.509 5.507 0 40 FKAB COc1ccccc1-c1nc(CSc2ccc(NC(C)=O)cc2)cs1 30617717 MVZDYAFDCPOZAJ-UHFFFAOYSA-N 370.499 5.069 0 40 FKAB O=C(Cc1ccc(F)cc1)N[C@H](c1ccccc1)c1cc2ccccc2o1 32845929 MQEXLTHSWMSWPY-HSZRJFAPSA-N 359.400 5.020 0 40 FKAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2F)N1c1ccc(F)cc1 40485783 CBLKJFFAPVLDHY-FQEVSTJZSA-N 363.363 5.022 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 44839352 YIZCWYKVEKUZJJ-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB CC[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(OC)cc1 44947003 ZWEMNKVYNXUQJT-HXUWFJFHSA-N 359.425 5.476 0 40 FKAB CC(=O)c1ccc(NC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1 48237057 IWUVHXDUBMGORR-MRXNPFEDSA-N 373.456 5.706 0 40 FKAB COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 58160003 OTMOFBMASGGYGG-ROUUACIJSA-N 374.484 5.040 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 64624074 XIIAYQZJNBULGD-CJPSHIORSA-N 372.681 8.498 0 40 FKAB in-vitro CC(C)c1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 73638154 XWQZLZPGFOPJFM-UHFFFAOYSA-N 350.643 6.034 0 40 FKAB Cc1cc(Nc2ccccc2C(=O)O)c2cccc(Oc3ccccc3)c2n1 78401770 ALJIXDWAYBRYNI-UHFFFAOYSA-N 370.408 5.777 0 40 FKAB Cc1[nH]c(-c2ccc(-c3ccccc3Cl)s2)nc1-c1ccccc1 95468313 FATBNNJFUJDEDF-UHFFFAOYSA-N 350.874 6.434 0 40 FKAB Cc1cc(C)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 214149892 YCWOXNVQHLWWDA-VCHYOVAHSA-N 371.889 5.502 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223021945 MDXRTDSUHWLJEK-JTSKRJEESA-N 367.558 5.622 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1[P@@](=O)(Nc1ccccc1)c1ccccc1 263621539 CPRRSKIORQJWCQ-PXOHRUDZSA-N 355.462 6.163 0 40 FKAB Fc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 409125819 BCEVZIYUPRDEBL-UHFFFAOYSA-N 372.468 6.242 0 40 FKAB Cc1[nH]c2ccccc2c1SCCNc1cnc2cc(Cl)ccc2n1 1775985471 LUQLARWPRYQHKT-UHFFFAOYSA-N 368.893 5.277 0 40 FKAB Cc1cc2cc(C)c(SCc3cc(=O)[nH]c4ccccc34)nc2cc1C 902911 ZZJFXKJCFPDMBN-UHFFFAOYSA-N 360.482 5.294 0 40 FKAB CO[C@@]1(C)Oc2cc3c(cc2[C@@H](c2cccc4ccccc24)[C@@H]1C)OCO3 1393518 SONOGXSWMVNWJK-SBQFXOPASA-N 362.425 5.092 0 40 FKAB C[C@]12O[C@H](c3ccccc3)[C@](C)(C1=O)C(c1ccccc1)=C2c1ccccc1 1667695 KOFXUASYYBAGTQ-LGPLSSKUSA-N 366.460 5.717 0 40 FKAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 1703602 ZFQZFEALFKSCST-UHFFFAOYSA-N 362.212 5.004 0 40 FKAB Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\Nc3ccccc3)c2c1 1791883 JJZNJSZKEZIJMK-SLEBQGDGSA-N 368.480 6.459 0 40 FKAB CCC[C@H]1CCc2nc(-c3ccc(C4CCC(CC)CC4)cc3)ccc2C1 1872257 BCHVKTQMENFXOQ-KBWCOIMZSA-N 361.573 7.337 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCCC(C)C)sc2c1 2373557 RNVRYLSVTIBWJX-UHFFFAOYSA-N 370.543 5.995 0 40 FKAB CC(C)(C)c1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 2446587 KEBPRPVKAGJUSC-UHFFFAOYSA-N 368.571 6.160 0 40 FKAB CCc1cccc(C)c1NC(=O)c1oc2ccc(Br)cc2c1C 2644503 LVOZDXOKFDMHFL-UHFFFAOYSA-N 372.262 5.627 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)sc2c1 3075915 SXWMESUGHJERNA-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB Clc1ccc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3)c2c1 3185695 WPDVYJBUPUXUJH-UHFFFAOYSA-N 359.812 5.951 0 40 FKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(OCc2ccccc2)cc1 3215117 XMVCIWYHEDSJOO-UDWIEESQSA-N 361.828 5.412 0 40 FKAB O=C(OCc1ccc(F)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3296480 BQPZKJYJYJPORD-UHFFFAOYSA-N 374.333 5.869 0 40 FKAB CCCCNc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 3297395 AYEKCSVDKGREHF-UHFFFAOYSA-N 361.441 5.092 0 40 FKAB Cc1ccc(NC(=S)Nc2ccccc2Sc2ccccc2)cc1 3413270 UPWMPACBKVSEBN-UHFFFAOYSA-N 350.512 5.955 0 40 FKAB Cc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(Cl)c3)s2)cc1 4358644 PTIPFVCCSHQPMD-UHFFFAOYSA-N 370.905 5.053 0 40 FKAB C[C@@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 4427716 CTWBZPZGQUGJLG-IEXUWNMDSA-N 368.500 5.051 0 40 FKAB Cc1nn2c(c1-c1ccc(F)cc1)N=C(c1ccco1)C[C@@H]2c1ccco1 5487618 BTYIDJXCTZBKTH-QGZVFWFLSA-N 361.376 5.298 0 40 FKAB COc1ccc(C)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 5701574 IRQOWKOCFWHZFW-UHFFFAOYSA-N 374.799 5.012 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3cc(C)ccc3n2)cc1 5942505 YDPSKAGJHGMFBO-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C)CC2)cc1Cl 6882062 LLPBDEIMDZMMBR-HXUWFJFHSA-N 356.897 5.060 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 8198133 DFZABMQYVBESHT-AWEZNQCLSA-N 350.462 5.993 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(NC(=O)C4CC4)cc3)o2)cc1 8215244 USWZJOYELWIQGT-UHFFFAOYSA-N 361.445 5.050 0 40 FKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=Nc3ccccc3CS2)c1C 8988394 IQYHOIFXZQVJKY-ZDUSSCGKSA-N 372.515 5.073 0 40 FKAB O=C(N1c2ccccc2Sc2ccccc21)C12CC3CC(CC(C3)C1)C2 10824888 IYLWWTPDTPTSDK-UHFFFAOYSA-N 361.510 6.032 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccco1 15248632 SNUWOFQZQLAVML-GOSISDBHSA-N 372.346 5.065 0 40 FKAB CC(C)Oc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)cc1 19450700 IFUDGRWUZUNCHD-SFHVURJKSA-N 358.532 5.065 0 40 FKAB CCOCCOc1cccc(NCCOc2ccccc2[C@@H](C)CC)c1 19738519 GOPNEMWIRRRUNT-SFHVURJKSA-N 357.494 5.106 0 40 FKAB Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 20105907 XRGFYMMEDVQUFH-HXUWFJFHSA-N 370.279 5.821 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 20106203 ALDDXRFFDFPDQU-RBUKOAKNSA-N 367.533 5.554 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1Cl 20671874 YUHMXILYPXDPCD-UHFFFAOYSA-N 351.837 5.097 0 40 FKAB COc1ccc(N(C2=NCCCC2)[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 26506833 PNMVMMZCBWZECF-OAHLLOKOSA-N 370.880 5.009 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2n1-c1ccccc1 28294800 ZVVWUYWVVXNOSD-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB CCOP(=O)(OCC)[C@H](NCc1ccccc1)c1ccc(Cl)cc1 38698551 AOKOJVXMVZNASX-SFHVURJKSA-N 367.813 5.395 0 40 FKAB Cc1ccc(CN2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 39767174 VSNPEAWUCXROQD-UHFFFAOYSA-N 364.533 5.278 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CCC)cn1 72214979 LZFPWXSQPQBGRK-SFHVURJKSA-N 361.530 5.170 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344337 KMEOSRFJJJBBDD-RBUKOAKNSA-N 356.252 5.889 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1 100270794 HHYLTYRWMUMJHY-KOSHJBKYSA-N 357.501 5.702 0 40 FKAB C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 105762684 VWYRUAJOAWWHQP-RMIALFOJSA-N 351.874 5.248 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222748013 PWTJKPKHXTZNJT-CQSZACIVSA-N 355.890 5.290 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220721 NEYQSICVYGJBGP-OSPHWJPCSA-N 373.496 5.363 0 40 FKAB Cc1cc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)ccc1Cl 225088339 RZNNNSNOTBLHRW-OAHLLOKOSA-N 359.636 5.030 0 40 FKAB COc1ccc(C2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)cc1 225842577 MFXKACOVWKONKY-UHFFFAOYSA-N 354.519 5.068 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc(Oc2cccc3ccccc23)cc1 226306840 ZDFJJEQONNVYDI-UHFFFAOYSA-N 359.347 5.547 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)nn2)cc1C 408532456 YMXPRSKCZGXHQH-UHFFFAOYSA-N 360.457 5.277 0 40 FKAB CCO[C@@H](c1ccccc1)c1noc(C2(Cc3ccccc3Cl)CC2)n1 581752342 VHJBJCQUHVKHKS-SFHVURJKSA-N 368.864 5.123 0 40 FKAB O=C(NCc1cccc2ccccc12)c1ccc(Oc2ccccc2)cc1 716801 LSVBCHQSASWFPX-UHFFFAOYSA-N 353.421 5.562 0 40 FKAB biogenic Cc1cccc2cc(CN(C(=O)C3CCC3)C3CCCC3)c(Cl)nc12 1367584 BILCDNDYBMDOJQ-UHFFFAOYSA-N 356.897 5.268 0 40 FKAB Cc1cc2c(cc1C)-c1c(oc3cc(C)c(C)cc13)-c1ccccc1C(=O)O2 1574131 NWLWEEJTUFNHKC-UHFFFAOYSA-N 368.432 6.533 0 40 FKAB Cc1ccc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 2402022 LWPWATNRXGBTKT-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB biogenic O=C(Nc1ccc2c(c1)OCO2)c1sc2cc(Cl)ccc2c1Cl 2653902 NRQAEOILPFDZBT-UHFFFAOYSA-N 366.225 5.189 0 40 FKAB CC[C@@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1ccc(C(C)C)cc1 2786327 AAHZXAGVHHRLCY-RWNWKCAMSA-N 367.577 6.374 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)[C@H](O)c1ccc(-c2ccccc2)cc1 2896314 MGUZTXXISNAEDO-RUZDIDTESA-N 364.444 5.937 0 40 FKAB Fc1ccc(-c2cc(-c3nnc4n3CCCCC4)c3ccccc3n2)cc1 3189943 FAWHFVHQHDNGSK-UHFFFAOYSA-N 358.420 5.026 0 40 FKAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 3850252 BESWZNZZPZNJEO-GNNWDLNUSA-N 358.566 6.312 0 40 FKAB O=C(Oc1ccc(-c2ccccc2)cc1)N(c1ccccc1)c1ccccc1 4666963 AEYFPYAZOWKZRY-UHFFFAOYSA-N 365.432 6.691 0 40 FKAB O=C(c1csc(Nc2cccc3ccccc23)n1)N1CCCCCC1 4675477 KYFCUUAEJOHWQV-UHFFFAOYSA-N 351.475 5.056 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 4720656 XJEVCPMVNXWLCU-UHFFFAOYSA-N 365.473 5.094 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 5172181 OIECWUVIVYHSMW-UHFFFAOYSA-N 362.429 5.082 0 40 FKAB C[C@@H]1CCCCN1Cc1ccccc1COC(=O)c1cccc(Cl)c1 5187363 MIYNVVIJXDGXRU-MRXNPFEDSA-N 357.881 5.071 0 40 FKAB Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(Cl)c1 6472956 ZUHNIUMEZNWDEF-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB Cc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C 7699471 HCHGSDVNDJBBRX-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 8087370 KGTCDDGSFDSNOF-KHYOSLBOSA-N 353.849 5.427 0 40 FKAB Cc1csc(SCc2c(C(=O)N[C@H](C)C3CC3)oc3ccccc23)n1 8429780 MOTXUIFDJHPIJE-GFCCVEGCSA-N 372.515 5.018 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl 8904018 DARNTPYKVRNXLI-UHFFFAOYSA-N 371.864 5.390 0 40 FKAB Cc1nn2c(NC3CCCCC3)cc(C(C)(C)C)nc2c1-c1ccccc1 9345922 GLVOVCLGHXXANK-UHFFFAOYSA-N 362.521 5.747 0 40 FKAB CCC(=O)N1c2c(OC)cccc2-c2c(ssc2=S)C1(C)C 9926591 RGWKYUQMJXDZJS-UHFFFAOYSA-N 351.518 5.206 0 40 FKAB Cc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 10235713 GAKARSFQISFFCP-UHFFFAOYSA-N 370.905 5.278 0 40 FKAB Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1C(=O)CC(C)(C)C2 16740177 NEWSKKSDAWCZKW-UHFFFAOYSA-N 371.483 5.285 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 17075167 FUYMYVDKOVYCNU-VAWYXSNFSA-N 365.864 5.103 0 40 FKAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccc(Cl)cc3)c2C)cc1 17315220 ZCXJWTDWQDNABK-INIZCTEOSA-N 367.924 5.361 0 40 FKAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)c1nc(-c2cccs2)no1 26108432 OVVQRIMYVMFMKU-GFCCVEGCSA-N 368.487 5.052 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccccc1)c1ccccc1 28051452 WMTYQIZTMZVHPC-UHFFFAOYSA-N 357.240 6.364 0 40 FKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4N4CCCC4)cc3c2C1 32678838 NXOATLSADCPMCP-INIZCTEOSA-N 373.500 5.145 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)c(C)c1 33171494 JFFIOXHZUGRZKO-UHFFFAOYSA-N 353.472 5.129 0 40 FKAB Cc1ccc([C@H](NC(=O)CCCOc2ccccc2)c2ccccc2)cc1 38772295 VDRCJLLYAJLBHC-XMMPIXPASA-N 359.469 5.060 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 44850267 NLYLDCBZHVEKCR-ZDUSSCGKSA-N 351.368 5.235 0 40 FKAB O=C(Nc1ccc(F)cc1F)Nc1ccc(Cl)cc1C(F)(F)F 51354107 OCXQOSJYLBLJRQ-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB CC(C)[C@@H](C)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 64141151 LGHBADKFWALNKN-LLVKDONJSA-N 354.281 5.052 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 68569353 XIIAYQZJNBULGD-AGTFXAFESA-N 372.681 8.498 0 40 FKAB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 100668274 SFABEZWIZFWLBW-JOCHJYFZSA-N 353.425 5.101 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc21 216325008 OZNCATNWXXJJAC-YADHBBJMSA-N 359.469 5.191 0 40 FKAB C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(C(C)(C)C)cc1 218994265 UGYOHZZZLJSDCB-QGZVFWFLSA-N 355.547 5.485 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)cc(C)c1Cl 222858363 VPERZPUQTSUWGG-INIZCTEOSA-N 367.876 5.194 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223273531 CPWWVBUVEDKXQD-SBUREZEXSA-N 365.517 5.163 0 40 FKAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12)C1CC1 225859123 GAYBBUJQIHWYGN-MWTRTKDXSA-N 369.505 5.551 0 40 FKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2)N1CCCC1 247939566 PCXUKFJMKJCKEX-GKUMMSIHSA-N 372.512 5.219 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408562081 MPYBRVRDRJJSET-XDOYNYLZSA-N 370.905 5.248 0 40 FKAB Cc1nc(-c2ccc(C(=O)NCc3cccc4ccccc34)cc2)c(C)s1 408581442 WUFGDDDRWFDMQR-UHFFFAOYSA-N 372.493 5.510 0 40 FKAB O=C(Cc1ccccc1Cl)NCCc1ccc(-c2ccsc2)s1 575414104 VLUSFDDOQIXFOL-UHFFFAOYSA-N 361.919 5.031 0 40 FKAB O=C1c2ccccc2N[C@@H](c2cccc(C(F)(F)F)c2)N1c1ccccc1 717300 UBABDSBGGPTTHU-LJQANCHMSA-N 368.358 5.477 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)oc2c1 1216649 VUTAVJOCUZNUCC-RIYZIHGNSA-N 354.409 5.455 0 40 FKAB CCCCN(C(=O)c1ccccc1)[C@@H]1CCC(=O)c2[nH]c3ccccc3c21 1856783 GFESUKTUVVVHAM-LJQANCHMSA-N 360.457 5.128 0 40 FKAB CC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1 2350755 WZZSCTHMUHIZED-NRFANRHFSA-N 357.494 5.245 0 40 FKAB CCOc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccc(F)cc2)cc1 2414572 WYDNHGPJKOECSJ-JOCHJYFZSA-N 363.432 5.385 0 40 FKAB Cc1ccc(CSc2ccccc2-c2nnc(-c3ccc(C)cc3)o2)cc1 3050309 DAJSCUYTRCDLSX-UHFFFAOYSA-N 372.493 6.313 0 40 FKAB Cc1ccc(Cl)c(O[C@]2(c3ccccc3)OC(=O)c3ccccc32)c1 4179440 TWOSCEVNKOELDG-OAQYLSRUSA-N 350.801 5.099 0 40 FKAB COc1ccc([C@@H]2CC(c3cccs3)=Nc3nc4ccccc4n32)cc1 4864789 JDZBOINREQQQCG-IBGZPJMESA-N 359.454 5.220 0 40 FKAB COc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1OC 5520760 LBXKYNXAPIUWFQ-UHFFFAOYSA-N 362.351 5.323 0 40 FKAB CCCCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 5552417 HYCLXFITUHYGLI-LFIBNONCSA-N 361.850 5.436 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c(Cl)c1 5670553 UDUIRNJJLCMLAC-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB CCc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 6258636 LQEMWCVIMUFCMG-UHFFFAOYSA-N 354.302 5.428 0 40 FKAB c1ccc(Oc2ccc(-c3nn4c(-c5ccccc5)nnc4s3)cc2)cc1 6788114 NONPPVDGYZEWJM-UHFFFAOYSA-N 370.437 5.312 0 40 FKAB c1nc(NCCC23CC4CC(CC(C4)C2)C3)c2c3c(sc2n1)CCC3 6875680 JJDBMVZDICUDGZ-UHFFFAOYSA-N 353.535 5.198 0 40 FKAB COc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1Cl 6897464 OKSZITVWNYUKCT-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB COc1cc2c(cc1NC(=O)Nc1ccccc1F)oc1ccccc12 9503749 UWOMHQLNNDKCMW-UHFFFAOYSA-N 350.349 5.378 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1cccs1 12266396 SJGLYKIQBCPBSP-QFIPXVFZSA-N 360.482 5.068 0 40 FKAB CCC(=O)c1ccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 12845042 DIGUJJCRVWFFII-UHFFFAOYSA-N 365.820 5.229 0 40 FKAB O=C(NCc1ccccc1Cl)c1ccccc1SCc1cscn1 12856516 ZIPSBUOMEUYHEZ-UHFFFAOYSA-N 374.918 5.019 0 40 FKAB COc1ccc(Nc2ccc(NC(=O)c3cccc4ncccc34)cc2)cc1 14337610 HFDXGWUBQUAGMR-UHFFFAOYSA-N 369.424 5.239 0 40 FKAB Nc1cc(Br)ccc1Oc1ccc(Cc2ccccc2)cc1 14631033 WFCVUDYUKFJBCX-UHFFFAOYSA-N 354.247 5.414 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc21 20496631 SFOVLASRAKAZNM-NTCAYCPXSA-N 354.453 5.775 0 40 FKAB Cc1cccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)c1 22072462 VOLFYCQEWMXPEA-UHFFFAOYSA-N 355.800 5.178 0 40 FKAB Cc1ccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 33298163 RJVCFBASMMJNLB-UHFFFAOYSA-N 367.861 5.413 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2)o1 39851056 NMMDMHKWTQZICZ-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 44839782 OEBBSABROPONCO-NSHDSACASA-N 371.786 5.327 0 40 FKAB Nc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 73639068 FHBRMBOIZIOBFT-UHFFFAOYSA-N 365.230 5.507 0 40 FKAB O=C(Nc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1 218165273 PBBMAIUZPOWFLW-UHFFFAOYSA-N 366.420 5.344 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccccc2C(F)(F)F)cc1C(C)C 225657668 YXVPSIMXZWMNFX-UHFFFAOYSA-N 351.368 5.398 0 40 FKAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)cc(C)c3o2)c1 226284536 XVIZWRRQDSVUBM-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 408574335 LWOVFYWFISYWHO-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 408579218 DVBVRLUHHZPEEY-UHFFFAOYSA-N 350.487 5.550 0 40 FKAB Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408622605 PKEJZBKMTMTFEK-DHZHZOJOSA-N 372.251 6.214 0 40 FKAB CCc1c(C(=O)c2ccc(C)cc2)oc2c(C)c3oc(=O)cc(C)c3cc12 641712 ZWEMJYSVPACUEL-UHFFFAOYSA-N 360.409 5.258 0 40 FKAB CC(C)C(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 679026 MLDSXJLFGSPORI-UHFFFAOYSA-N 350.752 5.021 0 40 FKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 682919 RHWDJWQFECABEG-UHFFFAOYSA-N 358.290 5.092 0 40 FKAB Clc1ccccc1COn1c(-c2ccccc2Cl)nc2ccccc21 1396586 ZCJCYTXKEXPDBS-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB COc1cccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1 2269402 LYEQAJPUFFTLQL-UHFFFAOYSA-N 360.844 6.073 0 40 FKAB c1ccc(-c2nnc(Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1 2288252 VEYUDFMYYBPLBC-UHFFFAOYSA-N 374.447 6.102 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)NC5CCCCC5)(C4)C2)C3)cc1 2713471 PNEPEPKQCOTRMN-KVEMZPMDSA-N 365.561 5.672 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 3135963 MHINYDGLDVQPOU-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1cc(Br)ccc1NC(=O)CCSc1ccc(F)cc1 3428223 KNXYWCOLFNAQOE-UHFFFAOYSA-N 368.271 5.018 0 40 FKAB CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]21 4578911 GLGSPOATOUUCTE-KEXUJGGDSA-N 354.490 5.063 0 40 FKAB CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@H](CC)c2ccccc2)c1 4659991 PMESDNPOKVKLHO-MRXNPFEDSA-N 359.853 5.039 0 40 FKAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccccc1C 4849322 SORWNQCJIBXZRH-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCCS1 5513241 YCNTYPIGYVTFBO-CVEARBPZSA-N 374.590 7.121 0 40 FKAB in-man FC(F)(F)c1ccccc1NC(=S)SCc1ccc(Cl)cc1 6513834 DVOPSLULGIKKCX-UHFFFAOYSA-N 361.841 5.989 0 40 FKAB CCCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 7778261 IAPNXZAYYGEQFA-UHFFFAOYSA-N 358.413 5.293 0 40 FKAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9762364 YNSMECFMLZOCBX-UHFFFAOYSA-N 365.454 5.137 0 40 FKAB Clc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1 12082730 ARFVJMJOHQYCKL-LYBHJNIJSA-N 366.247 6.639 0 40 FKAB C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccc(C)cc1 13218782 PQHWGMCWXYEHIG-UHFFFAOYSA-N 363.464 6.100 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)Nc1cccc2ccccc12 16544987 YLJXXPLPKHTIHM-UHFFFAOYSA-N 364.754 6.156 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(C(C)C)cc1 22073124 QLQGFOJCULYECA-UHFFFAOYSA-N 359.473 5.818 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CSCc1csc(-c2ccco2)n1 23103502 KTGWEZVLAAIVPG-UHFFFAOYSA-N 368.483 5.309 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 30757145 BLVNVGNBXVIMCQ-QFIPXVFZSA-N 361.485 5.761 0 40 FKAB O=C(Nc1cccc2ncccc12)N(Cc1ccc(Cl)cc1)C1CC1 58212994 YKQJVXQMELUOCS-UHFFFAOYSA-N 351.837 5.085 0 40 FKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](C(C)C)C3=C(O)C2)cc1 102740805 JIOFYVQBPDJADQ-KBXCAEBGSA-N 352.434 5.207 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219297947 LAKFXNXDAQLDQT-QGZVFWFLSA-N 367.489 5.537 0 40 FKAB COc1cccc(C(=O)Nc2ccccc2Sc2ccccc2)c1OC 225045646 HAMFWNVDYGUAPK-UHFFFAOYSA-N 365.454 5.107 0 40 FKAB Fc1ccccc1C1=N[C@H](c2ccccc2)c2ccccc2-n2cccc21 225374195 KRFWLNUYXPIHTA-HSZRJFAPSA-N 352.412 5.557 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522327 ZFJYDWNKOLAVGU-UHFFFAOYSA-N 371.908 5.969 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672367 NIRJLVLQDGAMDA-SFHVURJKSA-N 354.519 5.201 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225705268 VGMIENIVHSNCAB-GCJKJVERSA-N 363.542 5.795 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 256464539 VYIIGPBTHBMATO-JEOSHJBNSA-N 356.506 5.006 0 40 FKAB Cc1ccccc1NC(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12 1030774 SWLGUOGRIUMOII-LQOCYXTFSA-N 353.465 5.621 0 40 FKAB Brc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1 1413815 DPFTXETXLAZXMP-UHFFFAOYSA-N 356.244 5.986 0 40 FKAB CCN(CC)C[C@H](O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 1570650 GPLJBFUSTMABDL-QFIPXVFZSA-N 374.528 5.144 0 40 FKAB CCCCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1CCCC2 1883330 QRIVFHSSKZLRGP-UHFFFAOYSA-N 368.550 5.307 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)cc1 1948790 JILMVECCEKZURR-KRWDZBQOSA-N 354.446 5.074 0 40 FKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)cc1 2961393 ZWDIIYGQAPVENE-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB Cc1ccc(C(NC(=O)N[C@@H](C)c2ccccc2)=C(Cl)Cl)cc1F 3188177 AWJGYYYOAKUXSO-LBPRGKRZSA-N 367.251 5.298 0 40 FKAB O=C(Nc1cccc(Br)c1)Nc1cccc(C(F)(F)F)c1 3237914 LHNJYBZBCQLJLY-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB CC(C)(C)CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3328077 IWYZTLZPEIZMPF-UHFFFAOYSA-N 350.487 5.852 0 40 FKAB Clc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccccc3)C2)cc1 4315165 KINMCNBHKCUFFU-OAQYLSRUSA-N 367.279 6.349 0 40 FKAB Clc1cccc(-c2cc3cccc[n+]3cc2-c2cccc(Cl)c2)c1 4671198 QACRFSYCQZQEDC-UHFFFAOYSA-N 351.256 6.066 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2ccccc23)cc1 4970023 VJLVOLJLGIUGGW-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB CC[C@H](C)Nc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5246760 PMUJTPWBYICOCF-LBPRGKRZSA-N 354.523 5.137 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccc1 5589736 NNKRPEWRUNUJRC-LJQANCHMSA-N 369.251 5.765 0 40 FKAB O=C(COc1cccc2cccnc12)Nc1ccccc1Oc1ccccc1 6127926 XMKOJTAZULLRJA-UHFFFAOYSA-N 370.408 5.045 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1 6561421 MZJXKJYKYHMJBW-MOPGFXCFSA-N 366.549 5.783 0 40 FKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9141855 IRWWYWJHCQUDBZ-UHFFFAOYSA-N 352.478 5.221 0 40 FKAB O=C(NCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 10217779 QOMHMNNGSOPRSD-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB O=C(/C=C/c1cccc2cccnc12)Nc1ccccc1Cc1ccccc1 12806550 ZMUPUSMWNWUHIA-FOCLMDBBSA-N 364.448 5.478 0 40 FKAB CC(=O)c1ccc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)cc1 15497623 WPIUAFKXGXVYJW-UHFFFAOYSA-N 355.503 5.059 0 40 FKAB Fc1ccc(COc2ccc(Cl)cc2CNCCc2ccccc2)cc1 16479326 MAAFGYXSUPCNPJ-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c(-c3ccc(C)cc3)c2C)cc1 17075312 YQXJIHYSVUGCQS-UHFFFAOYSA-N 366.508 6.748 0 40 FKAB CC(C)c1ccc(O[C@H](C)CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 19738600 OZCRGGPSQZMBPR-JPYJTQIMSA-N 369.505 5.247 0 40 FKAB CC[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(C)cc1 20460481 BHBGGWOSKBUEOI-GOSISDBHSA-N 374.509 6.459 0 40 FKAB c1ccc(-c2cc(NC3CCCC3)n3ncc(-c4ccccc4)c3n2)cc1 27585993 VGZLZQNNUGMSGM-UHFFFAOYSA-N 354.457 5.418 0 40 FKAB O=C(Nc1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 27654477 YEOWHGDPOQFKMI-UHFFFAOYSA-N 358.319 5.145 0 40 FKAB Clc1ccccc1-c1nn(-c2ccccc2)cc1CNCc1ccccc1 27987027 GQNXUCMULLUEHZ-UHFFFAOYSA-N 373.887 5.483 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1F 28210948 BURSQICNFMNOLA-UHFFFAOYSA-N 353.649 5.028 0 40 FKAB CCCN(CCC)c1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 28287234 PWSIPEFLUYBAOU-UHFFFAOYSA-N 372.472 5.578 0 40 FKAB COC(=O)c1c(O)cccc1CC[C@H]1c2ccccc2C[C@@H]2CCCC[C@@H]21 35973654 OUPDCYDORAMWNW-JBACZVJFSA-N 364.485 5.258 0 40 FKAB Cc1ccc([C@H](NC(=O)COc2cc(C)cc(C)c2C)c2ccccc2)cc1 38754933 ODTYOOIEWQQTIK-RUZDIDTESA-N 373.496 5.205 0 40 FKAB Cc1ccc(C)c(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)c1 46914282 XKUYSNAFIYIEPH-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB Cc1ccc(-c2noc(CCCSc3nc4ccccc4o3)n2)cc1F 48264051 JRZTXQKLJPCDRG-UHFFFAOYSA-N 369.421 5.050 0 40 FKAB Cc1ccc2cc(CNc3ccc(Oc4ccccc4)cc3)c(=O)[nH]c2c1C 57709997 KEUPZGSQSLNNTL-UHFFFAOYSA-N 370.452 5.549 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 59351822 RKBFSPPTCGOXLR-PMACEKPBSA-N 359.897 5.382 0 40 FKAB Fc1ccc(-c2csc(Nc3ccccc3Br)n2)c(F)c1 67321972 SIZVWCRSOCOSDC-UHFFFAOYSA-N 367.218 5.594 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 78458535 ARVHFWIKHMHLKS-HTAPYJJXSA-N 367.533 5.581 0 40 FKAB CCn1c(C)nnc1CN[C@H](c1ccc(C2CCCCC2)cc1)C(C)C 89300562 OVJAVMGRIABKHT-QFIPXVFZSA-N 354.542 5.141 0 40 FKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)/C=C/c1cccs1 96096732 UGJVVHFQDNJJBJ-CMDGGOBGSA-N 374.918 5.163 0 40 FKAB Br[C@@]12CC3CC(c4ccccc4)(C1)C[C@@](Br)(C3)C2 100858011 HDZZLPCGDPLRGN-UAOKOLBASA-N 370.128 5.189 0 40 FKAB CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 105833368 JIDYEQGOCGVHLM-GGAORHGYSA-N 372.493 5.651 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1C 106977262 TXQKLFIUSTUHQT-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCCC(=O)c1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12 107991341 PCYOOHIOMBIUIS-UHFFFAOYSA-N 370.452 5.416 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)N[C@H](C)CO 169692765 SQKRUBZPTNJQEM-XDYPAROQSA-N 361.570 5.629 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C 219006463 AQYAOULKBSDEPW-FQEVSTJZSA-N 357.497 5.580 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(C(C)C)cc1 219373806 VBXVEOLTKOSNQD-JOCHJYFZSA-N 367.533 5.333 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 223032822 RXCKMEYUDHCIAK-RTWAWAEBSA-N 373.924 5.690 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCCC2)cc1 224124873 OUJSTRZVVMMBDT-UHFFFAOYSA-N 370.452 5.829 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1 225514014 CEQMQSGPSWXBKF-ZDUSSCGKSA-N 352.425 5.013 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c2cccnc12 225894684 YKSIPZUOJJCZEX-QFIPXVFZSA-N 372.509 5.194 0 40 FKAB CCc1nc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc2n1C 225897595 UUDUKBBDJKKOSI-UHFFFAOYSA-N 371.440 5.180 0 40 FKAB Oc1ccc(Cl)cc1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408994684 ZOZFYLHAJTVOCI-UHFFFAOYSA-N 360.866 5.082 0 40 FKAB Cc1cccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1C 409120741 SNAVKNDOESLRHI-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1cc(C)nc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 983748 GDBAYEYXRHSQND-UHFFFAOYSA-N 358.470 5.628 0 40 FKAB CC[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1)c1ccccc1 2073537 BZZVKZLVYDNDMH-JOCHJYFZSA-N 372.468 5.380 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2736692 WOGRDKBZFQNLQS-QFIPXVFZSA-N 361.510 6.282 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1 3268868 PTXCFHLSOJYGNC-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB COc1cc(SC)ccc1C(=O)OCc1c(Cl)cccc1Cl 3342147 BPXILBFTBDETMY-UHFFFAOYSA-N 357.258 5.081 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 3348874 JJHDDKKGBZDLHQ-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1Br 3431086 AROMVXAGJJWBFI-UHFFFAOYSA-N 366.258 5.292 0 40 FKAB Cc1ccc2nc(-c3ccc(/C=C/c4ccccc4)cc3)cc(C(=O)O)c2c1 3625444 ADEOQZQXNWZYTK-CMDGGOBGSA-N 365.432 6.079 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 3642793 QPWGWAWHVBVFIN-HSZRJFAPSA-N 372.468 5.611 0 40 FKAB CCCO[C@@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 3843772 XXOMRYJCPZNLCW-GNWGRXFHSA-N 374.565 5.488 0 40 FKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)[C@H]12 3904189 QWRZTDIVFDZYDY-UGKGYDQZSA-N 359.425 5.606 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2)N3)C1 4553429 HICKERMMIDSBRU-HNAYVOBHSA-N 368.546 6.027 0 40 FKAB Cc1ccccc1COc1ccc(-c2onc(C)c2-c2ccccc2)c(O)c1 5427064 IQMLKSBBWGSTED-UHFFFAOYSA-N 371.436 5.910 0 40 FKAB biogenic CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cc2coc3ccc4ccccc4c23)C1 6763532 QJGUROOSGHVEBM-HOYKHHGWSA-N 361.485 5.556 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccccc1 7522330 HTVSZMYFQWBTEA-UHFFFAOYSA-N 353.506 5.477 0 40 FKAB Cc1cccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 10692843 FZIKFVQZEFCXGT-OAQYLSRUSA-N 354.453 5.038 0 40 FKAB Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1 13284546 CGJCNBLWBORMMU-UHFFFAOYSA-N 365.263 6.718 0 40 FKAB Fc1cccc(F)c1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13661809 XAKHYZNCXSPHIR-KNQAVFIVSA-N 362.379 5.207 0 40 FKAB Cc1ccc(-c2c[n+](-c3ccc(OC(F)F)cc3)c3n2CCCCC3)cc1 13686372 XVVQRDYLCFKZMM-UHFFFAOYSA-N 369.435 5.068 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 14258074 SLYZIWGCQBYOSR-UHFFFAOYSA-N 360.388 5.449 0 40 FKAB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cn2cc(Cl)cn2)n1 17074680 ZRJSIHHVOHBZEX-UHFFFAOYSA-N 362.864 5.190 0 40 FKAB Cc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(C)c3)c2C)c1 17076376 GSEYBTCJBRDXLJ-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)CC(C)(C)C)c2)cc1 19691358 WNKCIFCQQKWLFM-NRFANRHFSA-N 366.505 5.165 0 40 FKAB CC(C)(C)c1ccc(OCCNc2ccc(Oc3ccccc3)cc2)cc1 19737696 LRLZNANGQXHXGL-UHFFFAOYSA-N 361.485 6.267 0 40 FKAB CCCc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)sc1C 26562318 VAQOMYFNBKLPPE-CYBMUJFWSA-N 370.474 5.285 0 40 FKAB COc1ccc2cc(CN[C@H](C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1 28925375 OZYBAGVRBSWVKC-MRXNPFEDSA-N 374.484 5.048 0 40 FKAB Clc1ccc(-c2n[nH]c(SCc3cccc4ccccc34)n2)cc1 33396640 ZBCQPNBLFRSLBQ-UHFFFAOYSA-N 351.862 5.571 0 40 FKAB CCCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 44136200 TUCUMIQWAWGZGF-UHFFFAOYSA-N 360.453 5.827 0 40 FKAB in-vitro C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 48325141 PUVWBKLHNNWIIU-AWEZNQCLSA-N 370.424 5.092 0 40 FKAB Clc1ccc(SCc2ccc(I)cc2)cc1 59517446 HHDLNNQTGRYNKC-UHFFFAOYSA-N 360.647 5.237 0 40 FKAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348601 MATHOWLCAFMVTE-OAQYLSRUSA-N 356.469 5.077 0 40 FKAB C[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(C(C)(C)C)cc1 222706048 XAENDRYBCWPHHV-OAHLLOKOSA-N 359.510 5.234 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222970400 BYHPJYCZUUYQCX-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1C 224371128 NJFWHBMXOVUMCE-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881648 VOGSCZBTTVGWMV-ZDUSSCGKSA-N 367.367 5.115 0 40 FKAB Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 225248780 RLLYISRDYFXXLH-VWLOTQADSA-N 357.497 5.450 0 40 FKAB CC[C@H](C)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225272971 UEGIMHWQWNAETK-HNNXBMFYSA-N 368.546 5.300 0 40 FKAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccc(Oc2ccccc2)cc1 225432521 POGRDOXVKLOPRO-UHFFFAOYSA-N 373.456 5.041 0 40 FKAB Brc1ccc(COc2ccc(CNc3ccccc3)cc2)cc1 409114274 GROBMZJAXAZSCV-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccc(Br)c3)cc21 647304 ZFFSPAYQQINQKK-UHFFFAOYSA-N 372.262 5.276 0 40 FKAB c1ccc2c(c1)Oc1ccccc1C2=C1c2ccccc2Oc2ccccc21 1733739 SXXWAWNPJCEOGD-UHFFFAOYSA-N 360.412 6.905 0 40 FKAB CCCc1cc(Nc2cccc(OC)c2)n2nc(C)c(-c3ccccc3)c2n1 2338585 QYKPWNXZXUVBMD-UHFFFAOYSA-N 372.472 5.409 0 40 FKAB Cc1c(Cl)cccc1-n1c(SCC(C)C)nnc1-c1ccncc1 2634039 PLHIGOSUEZMBIC-UHFFFAOYSA-N 358.898 5.039 0 40 FKAB CC(C)(C)NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174566 JMIQQAVWKDWMFX-UHFFFAOYSA-N 355.443 6.397 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3336917 QEOFRAIKFVHRQO-UHFFFAOYSA-N 355.478 5.055 0 40 FKAB CCOc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 3354932 YJPACKRRDQFZLP-UHFFFAOYSA-N 365.433 5.640 0 40 FKAB O=C(/C=C/c1cccs1)Nc1cc(Cl)ccc1Oc1ccccc1 3367364 ANEVTUYSDUPVAM-PKNBQFBNSA-N 355.846 5.846 0 40 FKAB Cc1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 4060640 HOTQSPAHKRFALI-UHFFFAOYSA-N 358.466 5.760 0 40 FKAB Cc1ccc(-c2noc(-c3c(-c4ccccc4Cl)noc3C)n2)cc1 4673475 XAXNQYFCXAJGLF-UHFFFAOYSA-N 351.793 5.329 0 40 FKAB CSc1ccc(-c2nc3c(C)cccn3c2Nc2ccc(C)cc2)cc1 4735052 XGFMCZRSKDIJID-UHFFFAOYSA-N 359.498 6.084 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 5380143 BQWGJJLJBWFUAM-UHFFFAOYSA-N 351.368 5.020 0 40 FKAB Cc1ccc2c(c1)S[C@@H](c1cc3c(cc1Br)OCO3)S2 5824309 RRVWEMDKQTVSTK-HNNXBMFYSA-N 367.289 5.383 0 40 FKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1Cl 6152685 GGDSSQJXSWYVHA-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB CCc1ccc(Nc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 6590166 KNSGSHNROJAHOW-UHFFFAOYSA-N 369.468 5.309 0 40 FKAB CCCCc1nc2sc3c(=S)[nH]c(SC)nc3c2c2c1CCC2 6783309 PIXNJYQAPAAVIR-UHFFFAOYSA-N 361.561 5.455 0 40 FKAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1 8253941 TVSKTFFYFKHWPZ-UHFFFAOYSA-N 366.288 5.223 0 40 FKAB CCOc1cc(CN[C@H](C)CC)cc(Cl)c1OCc1ccccc1F 8325915 LEJLVUZIGWXUDS-CQSZACIVSA-N 365.876 5.345 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 8590898 NOKVCZNGVOGTFB-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1cc(Cl)ccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11080675 WMEKWJZHEOHCKC-FQEVSTJZSA-N 370.905 5.028 0 40 FKAB CC(C)[C@@H](NCc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 12799073 SFLBSIAQERZEME-QGZVFWFLSA-N 362.951 6.012 0 40 FKAB COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O 13410056 CEHXOVCCJGHXEP-SKYIWBSBSA-N 364.526 5.060 0 40 FKAB COc1cccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)c1 14075440 OTUMFCHHSZYAFM-UHFFFAOYSA-N 351.406 5.250 0 40 FKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1OCC 16317288 VVFOHHYFRUZZRQ-INIZCTEOSA-N 372.534 5.148 0 40 FKAB Cc1cc2nc(-c3cccc4ccccc34)oc2c(Br)c1C 20156743 WSGJEXNAWXFSRW-UHFFFAOYSA-N 352.231 6.027 0 40 FKAB O=C(CSCc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 20238027 XEQOZKOIWGAYTA-UHFFFAOYSA-N 373.949 5.055 0 40 FKAB Cc1ccsc1[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 20426891 BRCVNRGDISZIIC-OAQYLSRUSA-N 371.465 5.376 0 40 FKAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccccc3Cl)c2n1 27585523 IERGYJYIMSHPLN-OKILXGFUSA-N 368.912 5.149 0 40 FKAB CCCCCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32126346 GWXFBODWYMNCHX-UHFFFAOYSA-N 358.441 6.167 0 40 FKAB CCOc1cc(NC(=S)Nc2cccc(Cl)c2)ccc1OC(F)F 36611105 VBPYLJJORPMCOJ-UHFFFAOYSA-N 372.824 5.149 0 40 FKAB CC1(C)COC(CCCCC(=O)c2ccc(Oc3ccccc3)cc2)OC1 43214501 KQPRDRBDBLRGMF-UHFFFAOYSA-N 368.473 5.621 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccc(Br)c(C)c2)c1 65695488 ARFWGCOXQOMBLF-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)no1 66089061 ZCIZBWSTYPEINI-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB C[C@@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1cc(F)ccc1F 71818662 USZOYDIMROZFAJ-GFCCVEGCSA-N 372.392 5.175 0 40 FKAB Cc1ccc(Cc2cccc([C@H]3CCCN3Cc3ccc(O)cc3)n2)cc1 72357899 XFWHGJGPDXSZHY-XMMPIXPASA-N 358.485 5.024 0 40 FKAB Clc1cccc(-c2nnc(-c3cccc(Cl)c3Cl)o2)c1Cl 73634422 BSCOODXKRYJKJZ-UHFFFAOYSA-N 360.027 6.017 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1cccc2[nH]ccc12 96116070 MHRMIGYZWJVKLQ-GOSISDBHSA-N 363.848 5.110 0 40 FKAB biogenic COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914675 PDFYDMTVIFSSKW-VYPZBVOESA-N 372.593 6.401 0 40 FKAB biogenic CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(C(C)C)cc1 219323073 SQJBNVUPGGQUBJ-HXUWFJFHSA-N 373.924 5.370 0 40 FKAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)CCCC2 223084718 JLRXPMQCPXAMFD-JOCHJYFZSA-N 367.558 5.456 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1C(C)C 223387953 VEVWEXQWXIUIIX-CQSZACIVSA-N 360.498 5.314 0 40 FKAB FC(F)(F)c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225544269 QMZIXCYTJLJGTB-UHFFFAOYSA-N 372.843 5.278 0 40 FKAB COc1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226343339 AQGPGHVLSSMYBB-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB Cc1cc(C)nc(SC(=O)N2c3ccccc3Sc3ccccc32)n1 912709 UTLDTLICIXIUKV-UHFFFAOYSA-N 365.483 5.608 0 40 FKAB FC(F)(F)c1nc(Nc2ccc(Br)cc2)c2ccccc2n1 937679 LGGFWZOJBNEYAW-UHFFFAOYSA-N 368.156 5.155 0 40 FKAB Cc1ccc(C)c(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)c1 948935 XWQDLDFHHOHPBQ-UHFFFAOYSA-N 372.420 5.781 0 40 FKAB CCCC[C@@H](CC)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 2070617 BFLUTOJINMPYSW-SNVBAGLBSA-N 372.321 5.781 0 40 FKAB CCCCCCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 2094021 IUDQUURXGVJJRV-UHFFFAOYSA-N 352.474 6.158 0 40 FKAB biogenic CCn1c(NC(=O)c2cccs2)c(-c2ccccc2)c(=O)c2ccccc21 2204697 YEIFGIQPJYOTRQ-UHFFFAOYSA-N 374.465 5.002 0 40 FKAB CCCN(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 2271080 PFGNYXZPRHJXPE-UHFFFAOYSA-N 360.482 6.326 0 40 FKAB Cc1ccc(C2=C[C@H](c3cccs3)n3c(nc4ccccc43)N2)cc1C 2919881 RHFNNXVNOCIELV-HXUWFJFHSA-N 357.482 5.771 0 40 FKAB CCCCCC(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3153143 LJZBHMHSOICHHP-CYBMUJFWSA-N 372.123 5.145 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 3309471 CNNYUZXTPHDOFG-UHFFFAOYSA-N 374.937 5.451 0 40 FKAB Cc1csc(N(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)n1 3554659 BCSPBIJOBYXDEL-UHFFFAOYSA-N 362.376 5.449 0 40 FKAB Fc1cc(Cl)c2oc(SCc3ccc(C(F)(F)F)cc3)nc2c1 4110075 HILFZWNPMHAVLS-UHFFFAOYSA-N 361.747 5.931 0 40 FKAB COc1cccc([C@@H]2CC(c3cccs3)=NN2c2ccccc2)c1OC 4322693 XGTDQVDAYZVJGC-SFHVURJKSA-N 364.470 5.121 0 40 FKAB Cc1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)ccc1Br 4666385 RMDQSNKLEORMAB-OAHLLOKOSA-N 374.322 5.698 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccc(Cl)c1 4678437 VOLBROLSUSNMQK-UHFFFAOYSA-N 373.887 6.020 0 40 FKAB Cc1nn(-c2ccccc2)c(Cl)c1COc1ccc(-c2ccccc2)cc1 6586131 DXXRKXHPYCJRSF-UHFFFAOYSA-N 374.871 6.080 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1Cl 6935162 ZELMVTIPYUKTMC-UHFFFAOYSA-N 372.896 5.227 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(Cl)c1 7988457 AXQXFAHDZLDVQC-UHFFFAOYSA-N 366.244 5.024 0 40 FKAB Cc1cc(NC(=O)c2ccccc2SC(C)C)ccc1Br 8500073 CIXHFZYOGFTFBE-UHFFFAOYSA-N 364.308 5.510 0 40 FKAB O=c1oc2ccccc2c2oc(NCc3ccccc3)c(-c3ccncc3)c12 11614569 WBIJPTIKOKISKS-UHFFFAOYSA-N 368.392 5.213 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSc1ccccc1 13716963 OYMCBAXTMQCYAG-UHFFFAOYSA-N 361.510 5.117 0 40 FKAB Cc1cccc(/N=c2\scc(-c3cc4ccccc4o3)n2C2CCCC2)c1 15912425 WAKNZUFBIQKVEY-VHXPQNKSSA-N 374.509 6.619 0 40 FKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 17074720 RUVWVVAYPQXJBK-UHFFFAOYSA-N 363.383 5.234 0 40 FKAB Cc1nc([C@H](Cc2ccsc2)NCc2cccc(F)c2F)sc1C 19559915 KGGOXOULTCPMQU-INIZCTEOSA-N 364.486 5.173 0 40 FKAB CC(C)c1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20107201 LWTHNCWBXZUUIC-GOSISDBHSA-N 353.506 5.060 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38856905 XYXHDZWAUQKVMG-IBGZPJMESA-N 370.924 5.062 0 40 FKAB CC(C)c1ccc(C(=O)CSc2nnc(C(C)(C)C)o2)c(C(C)C)c1 40138999 UBRKHQRLEGYXFS-UHFFFAOYSA-N 360.523 5.589 0 40 FKAB COc1cc(Br)c2oc(-c3ccc(Cl)cc3Cl)nc2c1 45920294 MHUAORXZEMZTEM-UHFFFAOYSA-N 373.033 5.573 0 40 FKAB Cc1ccoc1C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 59254161 LBNHIIHATBGVRE-UHFFFAOYSA-N 363.200 5.334 0 40 FKAB COc1cc(-c2ccccc2)nc2ccc(NC(=O)Cc3ccccc3)cc12 65033781 QNVGVBQJTFWROH-UHFFFAOYSA-N 368.436 5.092 0 40 FKAB O=C(c1nc(Cl)ccc1Cl)N(CCc1ccccc1)c1ccccc1 65518352 MQUYAAFCLSCGLE-UHFFFAOYSA-N 371.267 5.278 0 40 FKAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1F 85397549 MSTNYLSKOJKKHL-UHFFFAOYSA-N 371.433 5.013 0 40 FKAB Fc1ccc2c(c1)[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)CCS2 90805903 XXTCEMCTMCPVFN-CDHQVMDDSA-N 357.494 5.120 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc(Cl)c3)C2=C(O)C1 100717614 WDIGMAZCXDMTNN-FQEVSTJZSA-N 352.865 6.211 0 40 FKAB COc1ccc(/N=c2\nc(-c3ccc(C)cc3)n(-c3ccccc3)s2)cc1 102627251 JYXZQYHEHNCACA-GHVJWSGMSA-N 373.481 5.150 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SC)cc1C(C)C 223273660 DPUCUFDMYXIKJC-HNNXBMFYSA-N 357.519 5.340 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C(C)C 223505992 JOWJBTZJZOHXDU-SFHVURJKSA-N 353.506 5.543 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1 225056388 DVTRIZRGRHXJLG-HXUWFJFHSA-N 352.817 5.082 0 40 FKAB Cc1cccc([C@@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2)c1 225310004 PUALOLMROXFULL-QHCPKHFHSA-N 363.888 5.487 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 225672693 HFEBMOPZCMYOJB-INIZCTEOSA-N 360.910 5.237 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1OC 225677611 HDZYEGLRRMVIGG-UGSOOPFHSA-N 363.910 5.097 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CCSc2ccccc2)c2ccccc2O1 225789577 IIZOTEXJVUVMAR-IBGZPJMESA-N 369.530 5.368 0 40 FKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225806110 JMTLSCAUBATCPC-UHFFFAOYSA-N 354.563 5.853 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225894726 AUQPGJOSGSKZKT-JOCHJYFZSA-N 372.509 5.049 0 40 FKAB CCOC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408574046 HRUGQACTOHTMDA-UHFFFAOYSA-N 359.381 5.015 0 40 FKAB O=C(Nc1ccccc1OC(F)F)c1ccc(-c2cccc(Cl)c2)o1 408624034 WSNHWLTYYGKNPN-UHFFFAOYSA-N 363.747 5.454 0 40 FKAB CC(C)(C)OC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 408736918 JSDHQHJRKWAHJX-UHFFFAOYSA-N 352.459 5.824 0 40 FKAB COc1ccc(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 409001795 KMGJQRATHRZCHF-UHFFFAOYSA-N 373.452 5.864 0 40 FKAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(-c2ccsc2)cc1 1889116976 MGYNVYLYZAGBTL-UHFFFAOYSA-N 363.438 5.163 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C 892229 KJGCCAUUYJLMSC-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F 1040930 HSBFCVOQZFQYTG-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB Cc1ccc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)c(C)c1 2626175 NHONZOOIBQXUSA-UHFFFAOYSA-N 355.290 5.044 0 40 FKAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1Cl 3444868 WKUBCKTXBJCSBL-VIFPVBQESA-N 366.870 5.208 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 4072281 DQUCOEVDPHNXFC-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 4123042 ABMKJJWKXOEACM-NYYWCZLTSA-N 354.881 5.228 0 40 FKAB Cc1cc(Cl)cc2sc(NC(=O)c3ccc4ncsc4c3)nc12 4264273 BGVMDMXOOJJIHU-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(C)c3C)c3c2cnc2ccccc23)cc1 4970207 JVTZBEMFWCSEQO-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1 5125259 FIDFDSHBKIWNIN-HGZMWJMZSA-N 371.956 5.828 0 40 FKAB Cc1ccc(-c2nnc(N3CCc4ccccc4C3)c3ccccc23)cc1 5752903 PLJWTSITPDGFMY-UHFFFAOYSA-N 351.453 5.168 0 40 FKAB FC(F)(F)c1ccccc1NC(=S)SCc1ccc2c(c1)OCO2 6513835 XCUPPHXYXYZNAE-UHFFFAOYSA-N 371.405 5.064 0 40 FKAB CC(C)(C)C1CCC2(CCc3cc4c5c(c(=O)oc4cc3O2)CCC5)CC1 9184347 JSEMVSSVONOSOH-UHFFFAOYSA-N 366.501 5.582 0 40 FKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2o1 9660027 MMQWZBZIERSLEU-UHFFFAOYSA-N 370.408 5.412 0 40 FKAB biogenic Cc1nc(SCc2ccc(Cl)c(Cl)c2)n(C[C@H]2CCCO2)c1C 12519862 VCTLTNCPDZWVAP-CQSZACIVSA-N 371.333 5.278 0 40 FKAB O=C(Nc1ccc(Cl)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 16789843 FZHFYBXBJAOEFH-UHFFFAOYSA-N 374.827 5.081 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1C 16842894 RYLVVXHLMMSKRF-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB C=Cc1ccc(Cn2nc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1 17074967 TZQUXBGGJJFRND-UHFFFAOYSA-N 364.492 6.525 0 40 FKAB COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1Cl 20156824 XYZGZPSXLYKTEX-UHFFFAOYSA-N 366.642 5.536 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 22512055 YCHZTOACCVVINN-GOTSBHOMSA-N 361.485 5.573 0 40 FKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3C)n2)cc1 32622694 STODZHZQTXMUTR-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB CCc1cccc(CC)c1NC(=O)CNC(c1ccccc1)c1ccccc1 58163315 CASSELQERCLVDA-UHFFFAOYSA-N 372.512 5.129 0 40 FKAB Fc1cccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)c1 59409109 LFEFAVJSPKMAEU-NRFANRHFSA-N 364.445 5.102 0 40 FKAB CCCCCC(=O)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 70462025 ZSNFRJLURVIESH-UHFFFAOYSA-N 352.434 5.282 0 40 FKAB CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)c3ccc(C)cc3n2)cc1 75110287 SEESMCCKJBOTLX-UHFFFAOYSA-N 368.440 5.307 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@H](c2ccccc2)C1 100433676 ICBYPXXEXQENKC-QMHKHESXSA-N 372.493 6.377 0 40 FKAB Cn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118916117 ARYVICLZGFZHAR-PKNDWNSJSA-N 368.565 5.207 0 40 FKAB C[C@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 216799099 ROQQJDARBRCJCX-GASCZTMLSA-N 354.881 5.911 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc2ccccc12 222857711 BTLBISVLEWOSMM-QGZVFWFLSA-N 361.485 5.221 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C(C)C 223266504 MQLZQMWESXZPHN-KXKDPZRNSA-N 371.908 5.671 0 40 FKAB C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C(C)(C)C)cc1 223592556 UFNMFEACHKTWIH-KRWDZBQOSA-N 365.517 5.119 0 40 FKAB Fc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c(F)c1 225857219 PEANUGKZIQFBRI-UHFFFAOYSA-N 366.864 5.374 0 40 FKAB COc1cccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 408619224 ACZCMVOCSYFXRY-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Brc1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1 409392321 OYJKKJYGROZVKU-UHFFFAOYSA-N 369.287 5.771 0 40 FKAB S=c1sc2ccccc2n1CCn1c(=S)sc2ccccc21 832356 QGFVXAHLBQZQKJ-UHFFFAOYSA-N 360.554 5.878 0 40 FKAB Cc1ccc2nc3sc(C(=O)Nc4cccc(C)c4C)c(N)c3cc2c1 1222369 TZAPAADVWKGYTL-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB COc1ccc(CSc2nc(C)nc3sc4c(c23)CCCC4)cc1 1308682 XOJATKAYTARHOL-UHFFFAOYSA-N 356.516 5.179 0 40 FKAB COc1ccccc1[C@H]1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)O1 1821728 OJJXHSBRILDWOC-RTWAWAEBSA-N 351.833 5.579 0 40 FKAB Cc1cccc(C)c1OC(=O)c1ccc(C(=O)Oc2c(C)cccc2C)cc1 2065977 KZVWLTKYQVYVTL-UHFFFAOYSA-N 374.436 5.359 0 40 FKAB C[C@H](C(=O)Nc1cccc2ccccc12)c1ccc(-c2ccccc2)c(F)c1 2183237 GUHLANULFXUAFQ-KRWDZBQOSA-N 369.439 6.388 0 40 FKAB CCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2234647 XMSWWQIDNJGSMI-UHFFFAOYSA-N 357.548 5.429 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(Oc2ccccc2)c1 2635733 HMMZHUOUFVGXEA-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB CCCCc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 2729713 HGDMHAXJQQQRFP-UHFFFAOYSA-N 357.453 5.906 0 40 FKAB O[C@H](COc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21 3121243 WMELUDVXRQTKHL-IBGZPJMESA-N 367.448 5.388 0 40 FKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CC[C@@H](C(C)(C)C)C2 4187122 AEQPUDJFCPDKHZ-CYBMUJFWSA-N 371.502 5.158 0 40 FKAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F 5261923 UVPBDTBJPMLROY-CYBMUJFWSA-N 370.374 5.210 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(Br)c1 6960719 XONNTQJREBWHMX-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(C)cc3)ccc21 10315354 WEBVKYDQXMQJCQ-UHFFFAOYSA-N 356.469 5.694 0 40 FKAB CN(C)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12813400 UCQJTKUUQOXAFR-UHFFFAOYSA-N 352.437 5.271 0 40 FKAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 13672341 NUHMDDPNEMQRLO-UHFFFAOYSA-N 367.489 5.041 0 40 FKAB O=C(NCC1(c2cccs2)CCCC1)c1cccc(C(F)(F)F)c1 13803098 MCHXUSYUFHBXPC-UHFFFAOYSA-N 353.409 5.009 0 40 FKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)C 14257948 QDBHOMILPBDPIN-UHFFFAOYSA-N 352.434 5.221 0 40 FKAB O=C(O)c1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20242124 SSOGAXXWHJUFEP-MFKUBSTISA-N 359.469 5.603 0 40 FKAB Fc1ccc(COc2cccc(CNC34CC5CC(CC(C5)C3)C4)c2)cc1 22073826 YGASGPLMUFHEFJ-UHFFFAOYSA-N 365.492 5.463 0 40 FKAB Fc1ccc(-c2nnc(SCc3ccccc3Cl)n2C2CC2)cc1 32610309 UDKRIDWJJZTYQQ-UHFFFAOYSA-N 359.857 5.365 0 40 FKAB Clc1ccccc1CNc1nc(N2CCCCCC2)c2ccccc2n1 41149428 RHNDMVNAHRNCFM-UHFFFAOYSA-N 366.896 5.276 0 40 FKAB CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc3cc(C(C)(C)C)cc-2c13 49625274 SAQMPDYNJYMLBB-UHFFFAOYSA-N 370.580 8.380 0 40 FKAB O=C(Nc1ccccc1F)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 58245579 JOLNDSCESPSCDW-KRWDZBQOSA-N 366.358 5.604 0 40 FKAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)c1nc(-c2ccccc2)no1 58358111 AFJKVSKPJMCVBN-GFCCVEGCSA-N 367.405 5.384 0 40 FKAB CCn1c2ccccc2c2cc(N[C@H](C)c3nc(C(C)(C)C)no3)ccc21 58406624 IJBWDFSERVTCPH-CQSZACIVSA-N 362.477 5.668 0 40 FKAB COc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 59275981 AUWJYRCQEBHGDL-UHFFFAOYSA-N 356.441 5.201 0 40 FKAB Cc1cccnc1Nc1nc(-c2ccc(Br)cc2)c(C)s1 67322076 CFURRSHMJJMLMZ-UHFFFAOYSA-N 360.280 5.328 0 40 FKAB Cc1cc(C)c(NC(=O)c2cccc(-c3csc(C)n3)c2)c(Cl)n1 75084912 KOCLHBXTDLUAGL-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB Cc1ccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)cc1C 82067421 BBZYXIIQWKAFIC-LICLKQGHSA-N 355.484 5.229 0 40 FKAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(c2ccsc2)CC1 96120616 ZAJKQPTUVWYPCJ-UHFFFAOYSA-N 367.436 5.106 0 40 FKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(C)cc1 224120535 GVQPXUCPZLIQDI-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225666297 JQFWRUFTDRSEQO-ZHRRBRCNSA-N 361.526 5.405 0 40 FKAB CCCCOc1ncc(NC(=O)C2(OCCC)CCCCCC2)cc1C 225910292 NEWBXGPUASCADF-UHFFFAOYSA-N 362.514 5.027 0 40 FKAB Cc1ccc(COc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 226295121 BWKWSHDLMBIJFL-UHFFFAOYSA-N 357.453 6.506 0 40 FKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1O 409116497 JEDZYELWXJJTNQ-UHFFFAOYSA-N 369.848 5.849 0 40 FKAB Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)s1 523347666 DGXTUCNVSBTKLE-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1Cl 1339968 WLBPZCJWBYKUMC-UHFFFAOYSA-N 370.905 5.490 0 40 FKAB CC(C)=CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 1447923 BCTYCUOVJSJLLV-UHFFFAOYSA-N 354.833 5.767 0 40 FKAB biogenic CCn1c2ccccc2c2cc([C@@H](C)NC(=O)c3ccc(OC)cc3)ccc21 2292389 JNNLFOXNYBQNAQ-MRXNPFEDSA-N 372.468 5.314 0 40 FKAB CC(C)(C)c1ccc(-c2nn(CNc3cccc(Cl)c3)c(=S)o2)cc1 2903259 RXYWPRPLJHITLO-UHFFFAOYSA-N 373.909 5.893 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cccc(Cl)c1 3120614 GDRUGQXXCSHOSV-YADHBBJMSA-N 364.828 5.242 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 3326131 YWEPGAZWKPXZKO-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12 3766639 JBYWTXCUEDQLML-UHFFFAOYSA-N 373.765 5.736 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2OCc1ccccc1 3849985 PFVCATKPVAAICJ-JOUFPCHASA-N 366.589 7.005 0 40 FKAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)s3)sc2C)cc1 4279331 MIFCROIQTNEZEZ-UHFFFAOYSA-N 364.879 5.094 0 40 FKAB O=C(CCC(=O)NC1CCCCC1)NC1CCCCCCCCCCC1 4615269 PTXSMHMYFVXHCX-UHFFFAOYSA-N 364.574 5.005 0 40 FKAB CCCCCC1CCC(c2ccc(-c3ccc(OC(F)F)cc3)cc2)CC1 4891646 CQIBOSGLQWPHGL-UHFFFAOYSA-N 372.499 7.809 0 40 FKAB Cc1c(Cl)cccc1NC(=S)NCc1ccc(Cl)c(Cl)c1 8279054 DJMYALMNBYGEAH-UHFFFAOYSA-N 359.709 5.442 0 40 FKAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 9695004 RCISTXKNQAAWCO-UHFFFAOYSA-N 373.861 5.074 0 40 FKAB Cc1cccc(C)c1N(C(=O)C1CCCC1)c1nc2ccccc2s1 14118776 XVOGSUKPOLPPEN-UHFFFAOYSA-N 350.487 5.768 0 40 FKAB CC(C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@H](C)CCC3 16609139 YJYIBZJNGPCDCU-CYBMUJFWSA-N 370.543 5.388 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2C(F)(F)F)c(C)c1 17073042 LOQJOVICTLZNAA-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)c(C)c1 17075999 ZUOZUFQRKQVUBH-UHFFFAOYSA-N 370.543 5.386 0 40 FKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC1=NCCS1 18250947 QALUKSAOBASETC-UHFFFAOYSA-N 372.902 5.043 0 40 FKAB Cc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20041926 VZXLYSSZUAJHBC-UHFFFAOYSA-N 363.482 5.418 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1Oc1ccccc1 20460312 VQRZUSZMEJWKEK-HXUWFJFHSA-N 361.441 5.583 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1 27664105 UFQHBVFQSMXJHP-UHFFFAOYSA-N 351.471 5.302 0 40 FKAB COc1ccc(C(=O)Nc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1 28405489 RONYRURFIVQCRN-UHFFFAOYSA-N 369.424 5.005 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 32772714 DBHNRCBBLQJYHU-LVMGUKCRSA-N 366.461 5.202 0 40 FKAB Cc1ccc(-c2csc3c(=O)n(Cc4ccc(Cl)cc4)cnc23)cc1 38486733 FBANBZROZJFEOW-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB COc1ccc(C2=N[C@@H](c3ccccc3)N=C(c3ccccc3)S2)cc1 59488711 LDAFIGLPLZMHOG-FQEVSTJZSA-N 358.466 5.334 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1 61997106 QJIYCADXGKMCNA-UHFFFAOYSA-N 350.418 5.081 0 40 FKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC 71404821 DRFRUDAVKDRAEF-JEBPEJKESA-N 372.593 7.642 0 40 FKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl 98073307 ZFHRDYAQUVBNCB-UHFFFAOYSA-N 363.166 5.965 0 40 FKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@@H](O[C@@H]3C[C@@H]4[C@@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@@H]12 100939473 VUDXCBLBKXFCNA-JRIVDNGNSA-N 374.565 5.378 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@@H]5CC[C@@H]4C5)cc3)sc2c1 102089895 UVHJYUXCTGXORP-KYJSFNMBSA-N 362.498 5.646 0 40 FKAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H]1c2ccccc2Oc2ccc(C)cc21 103156939 LXHOFSNFCGZTLP-XZOQPEGZSA-N 368.436 5.272 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 218966610 HRXGCDWXFRPMIU-UHFFFAOYSA-N 361.441 5.422 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(C2CC2)nc1 222599503 LQPSORHLQRCUFV-UHFFFAOYSA-N 365.820 5.052 0 40 FKAB COc1cc(C)c(C(=O)NCCOc2ccccc2C(C)C)cc1C(C)C 223837984 ZXAITTUTPDEPGJ-UHFFFAOYSA-N 369.505 5.059 0 40 FKAB Nc1c(-c2cccc3ccccc23)c(C(F)(F)F)nn1-c1ccccc1 225181760 KDAAXQXFGPQKBI-UHFFFAOYSA-N 353.347 5.294 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C 225337853 WBGCNQAZVIXSJS-LJQANCHMSA-N 364.316 5.810 0 40 FKAB CCc1c(NC(=O)OC(C)(C)C)cc(C(F)(F)F)cc1C(F)(F)F 390823079 RYBFCXFMSYTORG-UHFFFAOYSA-N 357.294 5.634 0 40 FKAB COc1cccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c1 840473 HIORUUZRQAWFBA-MABQZBNFSA-N 369.464 5.177 0 40 FKAB COP(=O)(OC)[C@@H](Nc1ccc(Br)cc1)c1ccccc1 2344534 PBAUVMVGDWTMDA-OAHLLOKOSA-N 370.183 5.046 0 40 FKAB CC(C)N(C(C)C)[P@](=O)(C(C)(Cl)Cl)C(Cl)(Cl)Cl 3122359 CMQIKGQNKPETAI-KRWDZBQOSA-N 363.480 5.862 0 40 FKAB O=C1/C(=C/c2cccc(Oc3ccc(Cl)cc3)c2)N=C2CCCCCN12 3236696 OBUKTLRLFQIWOL-RGEXLXHISA-N 366.848 5.288 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3cccs3)n2)c(C)c1 4078623 MONSOYVLBCRDFM-VOTSOKGWSA-N 354.500 5.449 0 40 FKAB aggregator O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 4194712 VAGUZKFKDMOPSI-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB O=c1oc2cc3occ(-c4ccccc4)c3cc2cc1-c1ccc(Cl)cc1 5235633 GUQXZUDZKRBMQT-UHFFFAOYSA-N 372.807 6.527 0 40 FKAB CC(C)CC[C@@H](CCN[C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 5499657 HDPQPBVKYYFUBB-QPPBQGQZSA-N 367.577 6.735 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(C)ccc(C)c2s1 7349088 VJFNMGSQJFQSBT-UHFFFAOYSA-N 362.454 5.327 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(C)Cc3cccs3)c3ccccc3n2)o1 9885557 VJTVCHFPEXXUDE-UHFFFAOYSA-N 362.454 5.137 0 40 FKAB O=C1C[C@H](c2cccc(OCc3ccccc3Cl)c2)c2sccc2N1 12375566 YUZRUGSTYTUUET-MRXNPFEDSA-N 369.873 5.455 0 40 FKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 12619342 GVGTZCDAAIBLJL-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB C(=C/c1c(-c2ccccc2)nc2ccccn12)\c1nc2ccccc2s1 14092840 QWVJIJXRFOQYAH-BUHFOSPRSA-N 353.450 5.781 0 40 FKAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1cccc2ccccc12 14132006 QIQNHJPGGPAMKK-XDHOZWIPSA-N 363.413 5.215 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 17073599 KUBAIXWFMYBNJX-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)/C(=C/c1ccccc1)c1ccccc1 20494501 ODWBRZHCRZFSRZ-CJLVFECKSA-N 361.872 5.539 0 40 FKAB O=C1c2cccc3cccc(c23)[C@H]1[C@@H](Sc1ccccc1)c1ccccc1 28294686 BLDWPPBXFJYBGS-NOZRDPDXSA-N 366.485 6.653 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 30755467 FKDFIJLNGUFLBZ-UHFFFAOYSA-N 370.496 5.509 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 30757733 UGRPLPMOTTXQQF-UHFFFAOYSA-N 360.432 5.031 0 40 FKAB Clc1cccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)c1 44087204 SNYZPENVENBXJG-UHFFFAOYSA-N 354.906 6.227 0 40 FKAB Fc1c(Cl)cccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71326208 DWYMCWFADWYXJB-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229471 PGHFCMZZKHUMMH-UHFFFAOYSA-N 353.249 5.007 0 40 FKAB Clc1ccc(Cc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)cc1 72357687 RAJOKPJRLUOBKX-QFIPXVFZSA-N 363.892 5.058 0 40 FKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cccc(Oc3ccccc3)c2n1 78401767 LNMGNDUMKDYIED-UHFFFAOYSA-N 370.408 5.777 0 40 FKAB COc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1O 100654205 AKWKARWWPOPPFS-NRFANRHFSA-N 364.445 5.272 0 40 FKAB COCc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 118212633 ICRSOVOKENPWCQ-NRFANRHFSA-N 355.522 5.179 0 40 FKAB CC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118931866 LMGRIFIYAJHRKP-XSIUSZODSA-N 358.610 7.041 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223072748 XXKNNJRYHGERCE-BTYIYWSLSA-N 371.908 5.254 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223105659 AEWORJACUQYGSR-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1 225483011 NCLWUPIYRBLTOY-INIZCTEOSA-N 363.324 5.195 0 40 FKAB Cc1cc(NC(=S)NC2CCCCCCC2)ccc1Br 225517195 ZIIBTTREXDTWRC-UHFFFAOYSA-N 355.345 5.157 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)c2ccccc12 225801142 MKIBRQJTEUQUJI-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1 225863405 KEVQKSSHGUGQQW-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB Cc1ccnc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225873727 YZXJHQXKPAQITI-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB CCOc1cc(C(=O)Nc2cccc(F)c2)ccc1OCc1ccccc1 408555637 HMEPEXQWFKPDEY-UHFFFAOYSA-N 365.404 5.056 0 40 FKAB Clc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1 409096769 LAHPTJMHXCAWCB-UHFFFAOYSA-N 364.861 5.134 0 40 FKAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(C)cc3)ccc21 585105872 VRXTYFDSGPZEDT-GOSISDBHSA-N 363.501 5.103 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(Cl)c1 728431 OKUFTBJZXPUYMQ-UHFFFAOYSA-N 365.191 5.348 0 40 FKAB O=C1C(Nc2ccccc2F)=C2CCCCC=C2N1c1ccccc1F 1424271 QPILRGQKSNQKGG-UHFFFAOYSA-N 352.384 5.136 0 40 FKAB CCCC[C@@H](C)N(CCNc1cc(OC)cc2cccnc12)CC(C)C 1656124 UICOCDFXIDXKNL-GOSISDBHSA-N 357.542 5.192 0 40 FKAB CCCOc1ccc(-c2nc(Oc3ccc(C)cc3)c3ccccc3n2)cc1 1824667 FJSXTAGUTWIHMH-UHFFFAOYSA-N 370.452 6.186 0 40 FKAB Cc1c2occ(-c3ccc(F)cc3)c2cc2c(-c3ccccc3)cc(=O)oc12 2151484 DHSXMXDXMAAUHW-UHFFFAOYSA-N 370.379 6.321 0 40 FKAB biogenic Fc1ccccc1-c1nc(N2CCCc3ccccc32)c2ccccc2n1 2225183 BOWRJSVKNMTWAU-UHFFFAOYSA-N 355.416 5.520 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccn2)N3)C1 4109065 QUNLENYQBAYERC-YVEFUNNKSA-N 355.507 5.113 0 40 FKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3ccccc23)c1 4680554 MHSONBKYRFRRGU-UHFFFAOYSA-N 366.848 5.484 0 40 FKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(C)c4)c3c2c1 4969915 ACELGRSSNCMELH-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1ncoc1-c1cccc(Cl)c1 5002057 WUDHEKBZWDSMSA-UHFFFAOYSA-N 374.827 5.914 0 40 FKAB Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1C 5896747 DLMOHFUWKXURDC-UHFFFAOYSA-N 360.526 5.703 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1cc(Cl)ccc1Cl 6495725 RXFGHJIEZGCSBP-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 6590078 RMSRNNIVFLVVCY-DLBZAZTESA-N 350.487 5.517 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc(Br)c1 8382835 BDBYXVJAGSIGCV-UHFFFAOYSA-N 370.246 5.253 0 40 FKAB Cc1cnc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)s1 9420153 KBHFNSQEHMYLMH-NSHDSACASA-N 369.877 5.482 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 11473487 OLBKWCWWDLTTEA-OAHLLOKOSA-N 366.436 5.566 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)n1 12462971 DRJOFNBDQINBRG-UHFFFAOYSA-N 352.434 5.074 0 40 FKAB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@@H](c2cc(F)cc(F)c2)C1 14607130 OJZLGNYAPDNIFA-GOSISDBHSA-N 355.363 5.361 0 40 FKAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20145076 KFAAWQSKHASTCP-NYYWCZLTSA-N 367.832 5.053 0 40 FKAB Cc1cccc(C)c1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237688 YQPVOKKPXUSQSN-UHFFFAOYSA-N 351.475 5.089 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3nc(C)cc(C)n23)c(C)c1 35615854 IUQVQMXETSWXKP-UHFFFAOYSA-N 358.445 5.079 0 40 FKAB Fc1ccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)c(F)c1 67321977 FWKCKFOZBCAOCP-UHFFFAOYSA-N 357.212 6.139 0 40 FKAB Cc1ccc(CN2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)s1 96100175 PIHHMOGZHBIOAZ-UHFFFAOYSA-N 374.553 5.599 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccccc2)C[C@H](c2ccco2)C1 100141946 YFJCWIGMZAHKFW-HJPURHCSSA-N 356.425 5.909 0 40 FKAB COc1ccc(Sc2ccc(NC(=O)c3ccc[nH]c3=S)cc2)cc1 102900414 IGTBTDGCJSXYOT-UHFFFAOYSA-N 368.483 5.156 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(C)c(C)c2)cc1 106983215 RUZSVKGMKQJYIK-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218961954 CJGRPDCEQZWREG-UHFFFAOYSA-N 353.462 5.149 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 224603940 JFTWTMVBEVVVHR-INIZCTEOSA-N 359.425 5.609 0 40 FKAB CC(C)Oc1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225331388 VYZNJCBLWNSXLA-UHFFFAOYSA-N 366.288 5.030 0 40 FKAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(OC)cc1 225355731 XAGWGUFEPAXHDK-GOSISDBHSA-N 366.288 5.202 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408561052 GECAZSITLQTWSS-QOCHGBHMSA-N 374.868 5.079 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 408629333 XKBIEKCEYPTSIK-MRXNPFEDSA-N 372.896 5.045 0 40 FKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409013909 OKSCAJPPVDBWFB-DQPIFXJKSA-N 367.470 5.100 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 409206727 WPEPFVBEKVOHCB-UHFFFAOYSA-N 364.470 5.029 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3cc(C)c(-c4ccccc4)s3)on2)cc1 606422395 WRQIOALNTMJHQQ-UHFFFAOYSA-N 374.465 5.939 0 40 FKAB Oc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 1270293 SSKXSUPRSXYACN-UHFFFAOYSA-N 367.404 5.517 0 40 FKAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 1413956 DFPDPZXXKLTAIF-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB CC(C)CCSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 2278535 CTIOTMUGVSYBLO-LBPRGKRZSA-N 363.596 5.563 0 40 FKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(F)cc1 3647732 CUUCCNOESPPGOS-QFIPXVFZSA-N 365.448 5.298 0 40 FKAB CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 4162541 TVHZDIMLQZKQLE-UHFFFAOYSA-N 368.408 5.199 0 40 FKAB Clc1ccc(Oc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 4419949 ZHXLLUXPWAUKKX-UHFFFAOYSA-N 367.235 6.396 0 40 FKAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 4492062 NEWSBTMSQQBTMU-GYHWCHFESA-N 360.457 5.636 0 40 FKAB Cc1c(C(=O)Nc2ccccc2OC(F)F)oc2ccc(Cl)cc12 5243656 DWQUNONZMIGTDI-UHFFFAOYSA-N 351.736 5.248 0 40 FKAB Cc1ccc2c(c1)-c1c(s[s+]c1SCc1ccccc1)C(C)(C)N2 5334287 FNZIJAMDOITCGF-UHFFFAOYSA-N 370.588 7.019 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 6219101 JYSJDINWOPZESM-UHFFFAOYSA-N 362.429 5.284 0 40 FKAB Clc1ccccc1CNc1ncnc2sc(-c3ccccc3)cc12 6890273 YNQSZHPOWSSYNP-UHFFFAOYSA-N 351.862 5.624 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2C)cc1 6922802 HSWQLQKRZRQRFK-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB COc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc12 7348751 RCNIRKTYTCPDIP-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cccc(C)c3n2)cc1 8471989 ONDPFSFDSFQHDY-UHFFFAOYSA-N 358.485 5.535 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(F)cc1F 10916786 OCUYLUMINUYCHP-UHFFFAOYSA-N 359.184 5.134 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 14398040 SZSZEDSPNSRXOX-OAHLLOKOSA-N 351.833 5.413 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccccc1OC(F)F 14663750 RNPCWZDJUOLDSZ-UHFFFAOYSA-N 353.796 5.319 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccco1 15248635 SNUWOFQZQLAVML-SFHVURJKSA-N 372.346 5.065 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1 17075001 DKZVSKBAGMRUSZ-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1ccsc1-c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 19238723 ZHJRAUVSPPCGEH-UHFFFAOYSA-N 373.909 5.140 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](Oc2ccc(F)cc2F)c2ccccc2)c1 24833910 GKQIFCKOZCKENR-OAQYLSRUSA-N 367.395 5.340 0 40 FKAB COc1cc(Br)c2oc(-c3cc(Cl)ccc3Cl)nc2c1 45920296 PNYLFXVVOAYPCQ-UHFFFAOYSA-N 373.033 5.573 0 40 FKAB Fc1ccc(-c2csc3ncnc(SCc4ccncc4)c23)cc1 60709852 XBBZXJRVXRLQNU-UHFFFAOYSA-N 353.447 5.185 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 78811918 NOTIQUSPUUHHEH-DESOKOJMSA-N 360.538 5.166 0 40 FKAB biogenic CCCOc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl 106992580 ZNPVZYMYGBNKBY-UHFFFAOYSA-N 360.284 6.548 0 40 FKAB O=C1S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 113835940 SSXVJCSAJUMABR-HMMYKYKNSA-N 357.434 5.595 0 40 FKAB CC(C)c1ccccc1OCCNC(=O)c1cc2c(ccc3ccccc32)o1 223770462 AJZNJTSBTGFZJT-UHFFFAOYSA-N 373.452 5.518 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1C 225298253 VFZDZTQLWFRBET-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(OC2CCCC2)cc1 225515822 ICDPAHGGLPNBCO-KRWDZBQOSA-N 368.546 5.316 0 40 FKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1C 225667966 FFAAGMNYDWZOKG-NRFANRHFSA-N 353.506 5.625 0 40 FKAB CC(C)CN(Cc1ccccc1)C(=O)c1ccc2sc(Cl)nc2c1 225986188 SOXJTFCXWQDTOS-UHFFFAOYSA-N 358.894 5.248 0 40 FKAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2c1 226036862 JGRQDVKDCWWAKT-UHFFFAOYSA-N 371.392 5.146 0 40 FKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@H](O[C@@H]3C[C@H]4[C@@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@@H]12 253592484 VUDXCBLBKXFCNA-LCLPVRLCSA-N 374.565 5.378 0 40 FKAB in-vitro C[C@H](NC(=O)c1cccc2c(Cl)cccc12)C12CC3CC(CC(C3)C1)C2 408629365 ZAZJUSHWPDVSQK-NSDYXAQKSA-N 367.920 5.828 0 40 FKAB O=C(Nc1ccc(F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 408921352 GQUWBVYYKMMTBF-XMHGGMMESA-N 351.808 5.658 0 40 FKAB Cc1ccc(COc2ccc(CNc3cc(C)ccc3C)cc2Cl)cc1 409114574 IKMPDVYXIBRHGP-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB CP(C)(=O)c1ccc(-c2ccc(Br)c3ccccc23)cc1 2362801401 CPBTZTYHJOMFRI-UHFFFAOYSA-N 359.203 5.517 0 40 FKAB CCC(CC)C(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl 683194 AXDVDDVWYFLCMH-UHFFFAOYSA-N 372.896 5.584 0 40 FKAB Cc1cc(O)c(C(=O)CSc2ccc(Cl)cc2)cc1Br 1102031 LDHSAVFKKNSRKP-UHFFFAOYSA-N 371.683 5.092 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(C)c1 1262671 FANAXJODVZWEMM-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB CCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2258028 MTKWYCAMYYDYQJ-UHFFFAOYSA-N 357.548 5.744 0 40 FKAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1 2268379 LMTWSEGLZGNDLN-AWEZNQCLSA-N 372.896 6.063 0 40 FKAB Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 2521560 CKLLRBPBZLTGDJ-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic CC(=O)c1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 2760117 VMBIRDAOUSXBJA-UHFFFAOYSA-N 364.253 5.663 0 40 FKAB Cn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047383 NQKJOKHIKZBLTH-UHFFFAOYSA-N 374.484 6.186 0 40 FKAB O=C1CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@@H](c3ccccc3)N12 3196893 XGROEMAYQGXGMT-OVWUPXBPSA-N 372.493 5.194 0 40 FKAB COc1ccc(NC(=O)C[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4043229 UFAOAHSTSYHPOW-GHTZIAJQSA-N 367.489 5.013 0 40 FKAB biogenic COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN21 4438535 PXWPTMQPXMKXRK-ZJSXRUAMSA-N 370.452 5.246 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl 4666849 LWAJHAADFFUEFP-UHFFFAOYSA-N 354.236 5.817 0 40 FKAB O[C@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(Cl)cc1 4934877 KLWHJONHJZVCLM-SFYKDHMMSA-N 369.936 5.088 0 40 FKAB CCCCCCS[C@H](CCCCCC)C(=O)c1cc(C)ccc1O 5418380 GEMVXFJPLXGTNK-HXUWFJFHSA-N 350.568 6.536 0 40 FKAB Clc1cccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)c1 6283437 VLXYXFRJVSTQMN-LJQANCHMSA-N 355.915 6.759 0 40 FKAB O=C(Nc1ccc2c(c1)COc1ccccc1O2)c1cccc2ccccc12 6668498 DQXJRWOCLXPAMN-UHFFFAOYSA-N 367.404 5.777 0 40 FKAB CCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(C)cc2)cs1 6826660 YRJQXMVHTPGNPX-UHFFFAOYSA-N 367.474 5.186 0 40 FKAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N1CCCc2ccccc21 6881293 WAMTVHJHXRMMII-AWEZNQCLSA-N 368.527 5.022 0 40 FKAB CCCCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 7261215 AKHLBQFTXOMSJJ-UHFFFAOYSA-N 367.920 6.352 0 40 FKAB Cc1cc(Sc2nccn2-c2ccc(Cl)cc2)nc2ccccc12 7737548 XWGROCPXILKFSH-UHFFFAOYSA-N 351.862 5.534 0 40 FKAB Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 10351494 DRELNXFERBLPRW-FOIQADDNSA-N 356.897 5.025 0 40 FKAB Clc1ccc(Nc2ccccc2/N=c2\ssnc2Cl)cc1 12375657 GYYBWSQDRQHHRP-JXAWBTAJSA-N 354.287 5.487 0 40 FKAB CCc1ccccc1NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 12568767 LHMGLCDBBMDVLM-UHFFFAOYSA-N 350.487 5.171 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)cc3)c2Cl)cc1 17074052 WQQOGJCOJMGVLZ-UHFFFAOYSA-N 358.872 6.477 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 21312131 HUPUIOAGIGEMFK-KRWDZBQOSA-N 351.368 5.064 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2n1C(F)F 24511713 WPFMODAWUNWYHS-UHFFFAOYSA-N 371.412 5.196 0 40 FKAB COc1ccc(-c2c(C)s/c(=N\c3ccc(C)cc3)n2C(C)(C)C)cc1 27027494 XALWFHBAKJEJBH-LNVKXUELSA-N 366.530 5.829 0 40 FKAB CCOc1ccc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 27299047 ZXFTZXGRLGKKDQ-UHFFFAOYSA-N 355.441 5.748 0 40 FKAB O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 31664459 WHALENUBLVVXEH-IBGZPJMESA-N 354.812 5.390 0 40 FKAB CCC1(CC)O[C@H]2c3ccc(Br)cc3C(=O)N2c2ccccc21 35326849 LUPKPSAMZMPYMR-SFHVURJKSA-N 372.262 5.154 0 40 FKAB CCCCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc3[nH]cnc23)cc1 40227592 BZTQEEPKNGVKQJ-UHFFFAOYSA-N 372.476 5.491 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1C 44856403 UKNFHDXXYRUQEE-HXUWFJFHSA-N 364.533 5.170 0 40 FKAB Cc1ccc(-c2nc(CSc3nc(-c4ccccc4)n[nH]3)co2)c(C)c1 48326160 JDJAEGHMSAZFCA-UHFFFAOYSA-N 362.458 5.036 0 40 FKAB CCOc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc1 71977913 CYPXNQFNPAXSHK-UHFFFAOYSA-N 360.244 5.098 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)o1 102725060 SFCCSRVKUMNCNR-RXVVDRJESA-N 364.832 5.484 0 40 FKAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 106681490 UFMCLAKMEWPFMY-YVLHZVERSA-N 374.893 5.015 0 40 FKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OC 107784816 XZTGYBXRLDEVEU-UHFFFAOYSA-N 355.821 5.153 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCCC2 223125154 WEQLGRXDLTXFPU-OAQYLSRUSA-N 371.521 5.205 0 40 FKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3C)s2)c(C)c1 225058610 QSGUZSLCQLTUOI-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)OCc1ccccc1 225132832 GWPHKCVZMBIMEU-HXUWFJFHSA-N 364.466 5.050 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225821149 HURRDZPYSFMQGR-UZUQRXQVSA-N 371.521 5.797 0 40 FKAB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 245297258 RZCHUWOWWZKPOH-GKUMMSIHSA-N 374.528 5.465 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 409054245 TVFBZVBSOUWFJA-UHFFFAOYSA-N 362.498 5.459 0 40 FKAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1772491524 HIAJCGFYHIANNA-LOXOEPBUSA-N 374.565 5.427 0 40 FKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cc(-c2ccc(F)cc2)no1 1775977156 WMHQTLNNMJEOKT-NHYWBVRUSA-N 369.223 5.010 0 40 FKAB Oc1cc2ccccc2cc1-c1nnc(SCc2ccc(Cl)cc2)o1 892352 ORCOTQBATSVMIW-UHFFFAOYSA-N 368.845 5.541 0 40 FKAB Cc1c(Cl)ccc2c(C(=O)OCC(C)C)cc(-c3cccs3)nc12 993369 JQJBKUCKJOBWJM-UHFFFAOYSA-N 359.878 5.738 0 40 FKAB O=C(Nc1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1402140 IUFMJUSKTXSDLZ-UHFFFAOYSA-N 360.844 5.595 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(C)c(C)c3)c3ccccc3o2)cc1 2126585 GCRPNFFEHKPLGQ-YYDJUVGSSA-N 355.437 5.958 0 40 FKAB biogenic CCOc1ccc2nc(SCc3c(C)ccc4ccccc34)sc2c1 2328463 GVZZBGSMGZAIFE-UHFFFAOYSA-N 365.523 6.449 0 40 FKAB Cc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1C 2399091 VWXJDSBLIRWJTC-UHFFFAOYSA-N 368.415 5.392 0 40 FKAB Clc1ccc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)cc1 3063556 QXTCXHYFXCSISR-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB O=C(C[C@H](c1ccccc1)C1CCCCC1)c1ccc(Br)cc1 3149515 NAPOIRHBQZSGTF-HXUWFJFHSA-N 371.318 6.386 0 40 FKAB O=C(CSc1ccc(Br)cc1)Nc1cccc2ccccc12 3218023 QQNJHPYWCWANFN-UHFFFAOYSA-N 372.287 5.333 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 3244552 DWYCGSPQTFFKPL-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CC(C)(C)c1cc(NC(=O)c2c(F)cccc2Cl)n(-c2ccccc2)n1 3356537 VNUGJVFCSHGVGK-UHFFFAOYSA-N 371.843 5.215 0 40 FKAB COc1ccc(/C=C/c2nc3cc(C)c(C)cc3s2)c(OC)c1OC 5018632 QWTJUTBIPSSJHA-VQHVLOKHSA-N 355.459 5.109 0 40 FKAB Clc1ccccc1[C@H]1C[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 5461684 HSXOJTIRUURAJV-CTNGQTDRSA-N 359.860 5.836 0 40 FKAB Clc1ccc(-c2ccc(/C=C/c3ccc4ccccc4n3)o2)cc1Cl 5687515 ZTIJANBONIHMAD-CMDGGOBGSA-N 366.247 6.972 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(Cl)c2ccccc12 5973205 ZWESMUVWWIABJU-JOCHJYFZSA-N 361.957 6.209 0 40 FKAB CC(C)c1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 6346534 GZYGJGHWRISLBC-GOSISDBHSA-N 373.905 5.270 0 40 FKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1Cl 6495691 KOXBXHXUJJOMMS-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1 6906286 MQFWBCDRBAQNEP-SCLBCKFNSA-N 370.518 5.337 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 8041784 BMOULDXYCZTVBX-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1nc2ccccc2s1 8071635 GUNMBZLPCXWOTB-OAHLLOKOSA-N 368.527 5.214 0 40 FKAB CCc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 11914625 PFFPMWINKBMQIG-UHFFFAOYSA-N 365.498 5.231 0 40 FKAB C1=C2[C@H]3CCCC[C@@H]3O[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]2CCC1 12436941 VGZDMJBYELSMKA-NGSHPTGOSA-N 360.521 5.379 0 40 FKAB CC(C)C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 12891785 QNOUFHUSNKPVDK-KRWDZBQOSA-N 370.543 5.318 0 40 FKAB Cc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20048179 QMHSFIFPROGGBV-UHFFFAOYSA-N 356.469 5.200 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 20454870 APZYXWXMTFEJRK-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB CCc1c(-c2ccc(OC)cc2)nn(-c2ccccc2)c1-c1ccccc1 26897020 IXEZMYFWLHAFAJ-UHFFFAOYSA-N 354.453 5.777 0 40 FKAB CCOc1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1 30822832 CFLXBRFZMTVJDX-UHFFFAOYSA-N 366.486 5.146 0 40 FKAB CC(=O)OCC1=CCC[C@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@H](C)CC[C@@]12C 31157828 QSEIUMVWJJWZJP-XQAUGQPQSA-N 364.526 5.219 0 40 FKAB biogenic,in-vitro CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351549 AULJURUPYDADCT-XMSQKQJNSA-N 367.533 5.636 0 40 FKAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102181004 OSTLLWRZYOJDGD-DCUZGVIYSA-N 365.542 5.461 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O[C@@H]1CCCCO1 118915121 ZULBOIQTAAUGKN-FEFJCXPLSA-N 374.565 5.510 0 40 FKAB biogenic Cc1cc(C)cc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 224056240 QXDSIXYDWGWQOW-HKOYGPOVSA-N 371.480 5.039 0 40 FKAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 225826470 UOQPOWJDTBKBSZ-UHFFFAOYSA-N 357.453 5.106 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1conc1-c1ccccc1 225871540 PCKSOFJGIQZKQY-UHFFFAOYSA-N 356.381 5.386 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 227551417 SQVXINVALFBTPV-QZMQVMSPSA-N 360.501 5.378 0 40 FKAB COc1ccc(N=c2nc(-c3ccc(C)cc3)n(-c3ccccc3)s2)cc1 254682647 JYXZQYHEHNCACA-UHFFFAOYSA-N 373.481 5.150 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1 408585467 FGAANYDOHIIQOQ-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB CCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408988508 IEIYUKPBPYMVHJ-UHFFFAOYSA-N 354.475 5.122 0 40 FKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409101315 SOSINIAXSCPBBV-UHFFFAOYSA-N 371.937 6.097 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1 409111830 DAEYMVLXLOKVHL-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(C)CN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)c2ccccc21 409118855 RFRJQSPFRYAHSK-AUWJEWJLSA-N 362.256 5.242 0 40 FKAB CCOc1ccccc1-c1ccc(C(=O)O)c(CCC2CCCCC2)n1 585265448 MKCICKRUAZHSCR-UHFFFAOYSA-N 353.462 5.358 0 40 FKAB Cc1ccc(C)c(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 682417 PIKFZKNTPGDRJZ-SFHVURJKSA-N 358.437 5.244 0 40 FKAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3)c(C)cc2c1 801492 GDCOBWQZBPWMEH-HNNXBMFYSA-N 366.486 5.061 0 40 FKAB COc1ccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)Nc3ccccc32)cc1 832679 MFBDWJPPFCAIQR-SBUREZEXSA-N 372.468 5.287 0 40 FKAB Clc1ccc(-c2cnc(Oc3cc(Cl)ccc3Cl)nc2)cc1 1383853 WHNQOSAVRFGEMK-UHFFFAOYSA-N 351.620 5.896 0 40 FKAB Cc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1 2746903 WZEGSUVFJNSEJT-UHFFFAOYSA-N 357.866 5.724 0 40 FKAB Cc1cc(-c2nc(-c3cccnc3)[nH]c2-c2cc(C)sc2C)c(C)s1 4626177 WCHNSSKLVKXTAG-UHFFFAOYSA-N 365.527 6.162 0 40 FKAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(F)c(Cl)c1 5552716 TYUNGRKYJAKQHV-APSNUPSMSA-N 372.808 5.201 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 6243444 PELLAOMBLZLGEK-HNNXBMFYSA-N 354.519 5.450 0 40 FKAB CC[C@H](C)c1ccc([C@H](CC)NC(=O)/C=C/c2ccccc2OC)cc1 6489607 JAEKZFZDVOSJNR-RDCMBUHOSA-N 351.490 5.489 0 40 FKAB COc1ccc([C@H]2Nc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 6678039 MRKZVZNQAMCIHA-PKTZIBPZSA-N 373.431 5.110 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1 8317368 MNDGPPXMAVHAOB-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)c3cccc(C)c3n2)cc1 8472004 ZPYOMRHLOYQCEJ-UHFFFAOYSA-N 372.512 5.923 0 40 FKAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 10156538 QYKCAADCNMZRCB-OAHLLOKOSA-N 363.848 5.095 0 40 FKAB Cc1cccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)c1 13598104 DUWLSBCNXINDRX-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1 13689061 AOAKWIZRUIDDJO-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB Cc1ccc(S(=O)(=O)N(c2ccccc2)c2cccc(Cl)c2)cc1 16310026 MWBXGCLQPROWAO-UHFFFAOYSA-N 357.862 5.175 0 40 FKAB CC/C(=C(/c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 19766327 HJQQVNIORAQATK-LXFXVVTESA-N 354.449 6.154 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)on1 24377285 BVIPDYHIGCAZHE-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 29506715 CBKOGVUNJAJEMT-UHFFFAOYSA-N 372.399 5.708 0 40 FKAB C[C@@H](Sc1nc(-c2ccccc2)cs1)c1nc(-c2ccco2)no1 29739353 FMVJUNRJUHJEAE-LLVKDONJSA-N 355.444 5.306 0 40 FKAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 41007276 PMQMVYIBZSIHRI-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)cc1Cl 44132800 JJPXARXPPWHXPA-UHFFFAOYSA-N 359.926 5.053 0 40 FKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(C(C)=O)c1 59298313 KBCJEBQNTNBEDC-UHFFFAOYSA-N 365.454 5.269 0 40 FKAB Cc1cc(NC(=O)c2sccc2C2CC2)ccc1Oc1cccnc1 60155178 ZWRNTOOBFFTUQX-UHFFFAOYSA-N 350.443 5.374 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(Br)c1 67192385 RDBKYROULCOGHX-UHFFFAOYSA-N 366.258 5.297 0 40 FKAB Oc1cccc2c1CC[C@@H]2Nc1nc(-c2ccsc2)nc2ccccc12 72307618 MOPWSJMYKLERTJ-SFHVURJKSA-N 359.454 5.163 0 40 FKAB Clc1cccc(-c2noc(CNc3ccccc3OC3CCCC3)n2)c1 84507003 GQGAVLBHAWFSDJ-UHFFFAOYSA-N 369.852 5.324 0 40 FKAB CC(C)c1noc(-c2ccccc2C(=O)N[C@H](C)c2ccccc2Cl)n1 84631156 SUDBJXILRFOCFC-CYBMUJFWSA-N 369.852 5.004 0 40 FKAB Clc1cccc2c1OCCC[C@@H]2NCc1cccc(-c2cccnc2)c1 95463793 HBNJMVPNMGHBME-NRFANRHFSA-N 364.876 5.406 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1Cl 219023409 AJNSPUVJXZILCS-INIZCTEOSA-N 367.876 5.010 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(Br)cc1F 222668130 JRSUFHWVGNRIGT-UHFFFAOYSA-N 372.237 5.313 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C 223464105 JVRLLAHIPKPWCZ-RBUKOAKNSA-N 353.506 5.380 0 40 FKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(-c2ccccc2)cc1 223669912 SFEMUMZTHWZFMK-UHFFFAOYSA-N 373.496 5.460 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224290227 QXXCUMOHCMRMKG-QGZVFWFLSA-N 351.490 5.403 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 224516405 NQVNPDOJGCDIGM-KRWDZBQOSA-N 355.478 5.312 0 40 FKAB CC(C)(C)c1ccccc1O[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225093686 SOOYBYBRFUMKIZ-QGZVFWFLSA-N 366.379 5.078 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CCc2ccccc2Cl)c2ccccc2O1 225169894 DRFFUIUMURFJBB-LJQANCHMSA-N 371.908 5.471 0 40 FKAB COc1cccc2cc(C(=O)N[C@H](c3ccsc3)c3cccs3)oc12 390826161 DJYWCZIKZINDAO-QGZVFWFLSA-N 369.467 5.084 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 408578586 AAEKWVPBZCTBNB-UHFFFAOYSA-N 356.878 5.587 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)c(C)c1 409109831 MGYAWOSSLCERAK-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB CCCN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409306043 YGDYDQXNUUOIIH-LDADJPATSA-N 355.459 5.073 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1 682562 XAVCJRLMWROMGI-NSHDSACASA-N 372.679 5.670 0 40 FKAB Cc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 853533 IHHKXKOUDYSWIQ-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB Fc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCCCC4)n3n2)c1 1341361 DTLNRPVJFYNOQO-UHFFFAOYSA-N 372.447 5.193 0 40 FKAB O=C1CCSc2ccc(Cl)cc2N1Cc1c(F)cccc1Cl 1386856 LEAQCYNBKUANGO-UHFFFAOYSA-N 356.249 5.162 0 40 FKAB CNc1cc(CSCc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1392348 KRUPCHOZVCZWGN-UHFFFAOYSA-N 355.894 5.272 0 40 FKAB Cc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c(C)c1 1437022 YKBQATXAKYFIBZ-DXCFNAGXSA-N 367.492 5.785 0 40 FKAB CCCOc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 2256053 WLCQUWVZNNLVQQ-UHFFFAOYSA-N 357.413 5.273 0 40 FKAB c1ccc(C(Sc2nnc(-c3cccs3)o2)c2ccccc2)cc1 2620712 ORHPUTDSIMIECV-UHFFFAOYSA-N 350.468 5.680 0 40 FKAB FC(F)(F)c1cccc(-c2cc3ccccc3nc2Oc2ccccc2)c1 3050338 SZAYLPAUERXXEB-UHFFFAOYSA-N 365.354 6.713 0 40 FKAB Cc1cc2ccccn2c1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3205341 QSZYHKXMBWAJBX-UHFFFAOYSA-N 371.465 5.188 0 40 FKAB Cc1ccc(-c2ccc(Oc3ncnc4sc(C)c(C)c34)c(C)c2)cc1 3284501 YLNAJMQJWOEJEC-UHFFFAOYSA-N 360.482 6.384 0 40 FKAB COc1ccc(OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 3304172 RCLRYLCMLVDPGQ-UHFFFAOYSA-N 368.816 5.147 0 40 FKAB O=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C1CCCCC1 3655937 DCNAPUBRPPGHGU-UHFFFAOYSA-N 351.877 6.106 0 40 FKAB Cc1cc2nc(-c3ccc(NC(=O)c4ccccc4C)cc3)oc2cc1C 4592599 YGIFJQHHCRKRKB-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 5750477 KTMIXPVNEMXSAC-UHFFFAOYSA-N 371.864 5.011 0 40 FKAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(C(F)(F)F)c1 5948200 UMHFWLJUDBNRLA-UHFFFAOYSA-N 374.387 5.180 0 40 FKAB CCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1 6650920 ZCTDSKJBABWGHL-PTGBLXJZSA-N 369.464 6.084 0 40 FKAB Cc1cc2sc(NC(=O)c3cccc(Cl)c3Cl)nc2cc1Cl 6826384 YJBLWNSMSOIKKP-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB Cc1cccn2c(NC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nc12 6970902 RKCJDGBSPZWNPR-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB Cc1cc(C)cc(-c2nnc(SCc3coc(-c4cccs4)n3)o2)c1 7160339 ZZILIBAIABSQBQ-UHFFFAOYSA-N 369.471 5.362 0 40 FKAB CCOc1cc(CNC2CCCCCCC2)ccc1OCc1cccs1 7523871 DDGCMBGYRJFTBC-UHFFFAOYSA-N 373.562 5.928 0 40 FKAB Cc1ccccc1COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 7736402 KNXKLBMFFYYOIF-CPNJWEJPSA-N 352.430 5.480 0 40 FKAB CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2ccccc21 8091833 PCXQHYFCPHKPHD-RVDMUPIBSA-N 370.235 5.770 0 40 FKAB C[C@H]1[C@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 12658004 DYGSLTDGTPXLQY-PBQYVJEFSA-N 355.305 5.524 0 40 FKAB O=C(c1c[nH]c2ccccc12)N1CCc2sccc2[C@H]1c1cccs1 12805934 YNRVNMKOWYMEAF-IBGZPJMESA-N 364.495 5.079 0 40 FKAB CCn1c(SCc2cccc(Cl)c2)nnc1[C@H](C)Oc1ccccc1 13849872 HWVVFQPXMNSVLK-AWEZNQCLSA-N 373.909 5.384 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)c(C)c2)cc1 16292038 MIDGFURSOBWKCP-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB CC(C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@@H](C)CCC3 16609141 YJYIBZJNGPCDCU-ZDUSSCGKSA-N 370.543 5.388 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)c4ccccc4)cc3)sc2c1 17076334 XRDNCPRHFIPNER-MRXNPFEDSA-N 372.493 6.014 0 40 FKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN2Cc2cnc(C)s2)n1 19691914 NMZIGZFUBGNBIU-JOCHJYFZSA-N 363.530 5.083 0 40 FKAB Cc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 20195556 YCQARULYKSYUMM-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB Cc1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 22374359 PPDBZZOJSLLNOE-HSZRJFAPSA-N 354.453 5.190 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1 27664443 MJITVHKCICCQRM-INIZCTEOSA-N 364.445 5.179 0 40 FKAB Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cs1 46814897 WYQHDSICKGGRGC-UHFFFAOYSA-N 371.531 5.150 0 40 FKAB Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccsc3)c2cc1Cl 58358248 PHHSEAGGPSWNHS-QGZVFWFLSA-N 359.878 5.153 0 40 FKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2ccc(Cl)s2)cs1 102369955 FQOSUAMITZVQRJ-DCAQKATOSA-N 352.912 5.290 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 216051259 YKXGBMJMDFQUBB-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)c1ccccc1 220016285 DGSUIPQKJJPQTK-UHFFFAOYSA-N 363.844 5.142 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2c(F)cccc2F)cc1 225499538 IUTWSDRGUZMWRC-QGZVFWFLSA-N 364.461 5.047 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225505084 HGEPYUJPLKYBMP-UHFFFAOYSA-N 351.490 5.543 0 40 FKAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCCC1 225830976 XDGIBVSMDIWZTC-UHFFFAOYSA-N 369.505 5.695 0 40 FKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1Cl 408561545 JKXDVNNGDNGSEA-QOCHGBHMSA-N 374.868 5.079 0 40 FKAB CC(C)Sc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 408751338 ZDVSQWOKSCQKJI-UHFFFAOYSA-N 362.907 5.703 0 40 FKAB O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1Cl 408866412 FQBGTVHGAREJED-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB Cc1ccccc1C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 663076 AJGOXCJYTGXLPC-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB aggregator CCc1nc(Oc2cccc3cccnc23)c2c3c(sc2n1)CCCC3 719325 YXOWLMIIGJJMGJ-UHFFFAOYSA-N 361.470 5.473 0 40 FKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(O)=N2 1019513 LSOKRXNZXSYUGG-GOSISDBHSA-N 369.877 5.258 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(F)c2ccccc12 1049824 KHRDMLBAHNSHLZ-UHFFFAOYSA-N 372.237 5.611 0 40 FKAB O=C1c2ccccc2C(=C(c2ccccc2)c2ccccc2)c2ccccc21 1570225 SPOJSTUMWGMCFP-UHFFFAOYSA-N 358.440 6.238 0 40 FKAB Clc1c(C(Cl)(Cl)Cl)nc2ccccc2c1Br 1756661 ATFRARXQDXLRFU-UHFFFAOYSA-N 359.865 5.477 0 40 FKAB c1ccc(-c2cc(-c3ccccc3)c3nsnc3c2-c2ccccc2)cc1 2184621 XEVWOTCEKXTQFR-UHFFFAOYSA-N 364.473 6.692 0 40 FKAB CC1(C)C[C@](C)(c2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 2306274 XBABPZAWUGEOFX-RUZDIDTESA-N 373.471 5.961 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2360483 YEDYXYWGDNYMAS-WUKNDPDISA-N 366.420 5.661 0 40 FKAB O=P1(NCc2cccnc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205537 ZSCFAVWDRPNGKS-UHFFFAOYSA-N 374.380 5.477 0 40 FKAB Cc1ccc(C)c2c1c1ccccc1n2Cc1cccc(C(F)(F)F)c1 4038317 USKUVZNDRVELDK-UHFFFAOYSA-N 353.387 6.478 0 40 FKAB CC1(C)C=C(c2ccc(C3=CC(C)(C)NC(C)(C)C3)s2)CC(C)(C)N1 5171171 PEBCGJLSRSQUJI-UHFFFAOYSA-N 358.595 5.616 0 40 FKAB COc1c(Cl)cc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl 5701846 GHHUXJXNDGKOQH-UHFFFAOYSA-N 371.220 5.003 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccn2C)N3)C1 6273024 NBOMMDQGQCGHSJ-YVEFUNNKSA-N 357.523 5.057 0 40 FKAB Cc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 7988172 NJCCWYFIJQCKIV-UHFFFAOYSA-N 372.877 5.277 0 40 FKAB OC1=Nc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2cccc(F)c2F)C1 9421400 ZGJWIKNMJXSXHS-GFCCVEGCSA-N 359.763 5.132 0 40 FKAB Cc1cccc(OCCCn2c(CCc3ccccc3)nc3ccccc32)c1 12462858 YHQRYQVPXSXXTP-UHFFFAOYSA-N 370.496 5.599 0 40 FKAB Cc1cc(Nc2ccc(F)cc2)n(-c2ccnc3cc(Cl)ccc23)n1 12658934 ZUWMCDRAEBDOOK-UHFFFAOYSA-N 352.800 5.265 0 40 FKAB O=C(Nc1ccc(F)cc1F)N[C@H](c1ccc(F)cc1)c1cccs1 12821664 WGRAEPDHDRGPON-QGZVFWFLSA-N 362.376 5.077 0 40 FKAB COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(C)cc3C)n2)cc1 12971861 JPZRHEXQXGKPTN-JOCHJYFZSA-N 362.473 5.304 0 40 FKAB C[C@@]12CC3CC(C(=O)Nc4ccc(Cl)cc4Cl)(C1)C[C@](C)(C3)C2 16790358 WUWGSZZXGHBSPV-CMXJYWLISA-N 352.305 5.929 0 40 FKAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccc2)n1 19715113 DRVDBDKXQHSPQK-IBGZPJMESA-N 368.477 5.101 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C 20106729 VSHNLGINHHDUTI-HXUWFJFHSA-N 353.849 5.598 0 40 FKAB CSc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 20459253 BBSOZSUCCIOFER-UHFFFAOYSA-N 371.483 5.002 0 40 FKAB CCCCCOc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 21524340 AZWCRQQXEAZPCW-UHFFFAOYSA-N 364.445 5.091 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 22531367 YBOBKBUJHRJEOK-SJORKVTESA-N 353.506 5.191 0 40 FKAB Cc1oc(-c2cccs2)nc1COc1ccc(Br)cc1 24033828 IMEJPSZCMGNCND-UHFFFAOYSA-N 350.237 5.053 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCC1=CCCCC1 30752605 PBBNGZIXTXQNFL-UHFFFAOYSA-N 358.334 5.233 0 40 FKAB CCOc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 32779822 DURWTZIEXSWHDE-UHFFFAOYSA-N 366.486 5.007 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1C 32981816 FIGOFUBPMJKWBD-UHFFFAOYSA-N 362.454 5.734 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)ccc1Cl 44838342 PRSZVEPRHDREIH-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB C[C@H](Nc1ccc(NC(=O)Nc2ccncc2)cc1Cl)c1ccccc1 58157528 JFVUZCCCNBUASP-AWEZNQCLSA-N 366.852 5.552 0 40 FKAB Fc1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 71234721 YZLVUGYXIFLRAH-UHFFFAOYSA-N 361.445 5.366 0 40 FKAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2cccc(O)c2)S1 71285937 SVWYVBXPOPLMAU-QGZVFWFLSA-N 357.479 5.076 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1Nc1ccccc1 72214175 FDGVEGQQPBTLOJ-NRFANRHFSA-N 357.457 5.193 0 40 FKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc(Cl)c1 72229860 NTFRYKMCOKWCJY-LJQANCHMSA-N 372.251 5.327 0 40 FKAB C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cc(Cl)cc(Cl)c1 95967280 RCGIAZPWDUVYCT-CQSZACIVSA-N 360.288 5.089 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)c(C)c1 219031561 WJDKRFFVODFHDQ-JPYJTQIMSA-N 361.485 5.491 0 40 FKAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223093380 WOCKZVGCBADTIW-NRFANRHFSA-N 371.521 5.205 0 40 FKAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c1 223977813 USMZRMXPPXFIRD-UHFFFAOYSA-N 373.953 5.150 0 40 FKAB CCOc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1Cl 224310288 SHUGANJHGXHHNH-UHFFFAOYSA-N 367.876 5.255 0 40 FKAB CC(C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 225012866 IQUUIVFJSRYQFG-UHFFFAOYSA-N 351.874 5.474 0 40 FKAB CC(C)OC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225436971 YVVUZIRDQLQIPI-UHFFFAOYSA-N 374.484 5.041 0 40 FKAB COc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1Cl 225492910 SQOQVKSNTMTHOK-KRWDZBQOSA-N 362.926 5.422 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)c(Cl)c1 225677778 MIDJRUMGNQZBGS-KRWDZBQOSA-N 374.937 5.546 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CCCC)OCCC)cc1C 225747647 KKKVHIUPQGXWSS-QFIPXVFZSA-N 363.542 5.796 0 40 FKAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 817604 UXWVMVAMIBREKN-UHFFFAOYSA-N 362.473 5.126 0 40 FKAB O=S(=O)(c1ccccc1)[C@H]1c2ccccc2Oc2ccc(Cl)cc21 948680 HUKSCAVDOKSDDK-IBGZPJMESA-N 356.830 5.009 0 40 FKAB CC(C)CNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1245835 CURLLLXMSCBVKC-UHFFFAOYSA-N 368.550 5.385 0 40 FKAB CSc1nc(Sc2ccccc2)cc(N2CCCc3ccccc32)n1 1402792 LODFTLGTBGILRU-UHFFFAOYSA-N 365.527 5.434 0 40 FKAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1510651 FEAGQNOJWHBEIW-UHFFFAOYSA-N 370.477 5.658 0 40 FKAB CC(C)CC[C@]1(CCN[C@@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 2453804 CODQGSPQNINKTM-AVRDEDQJSA-N 365.989 6.392 0 40 FKAB Cc1ccc(C)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1 2653912 HJCWKXYZHWPPBV-UHFFFAOYSA-N 358.235 5.373 0 40 FKAB CC[C@@H](C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1 2961316 PGWSZFXSURZJJO-GOSISDBHSA-N 373.481 5.491 0 40 FKAB CC(C)c1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1 3358040 MHPHNCPEFGKKET-UHFFFAOYSA-N 367.345 5.646 0 40 FKAB CSc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 4517632 OTOWGCRLJRDVNH-UHFFFAOYSA-N 360.438 5.469 0 40 FKAB Cc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)o1 4927635 MDYXGKIMCPJYBB-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB CC1(C)C[C@H](n2c(-c3ccccc3)nc(=S)c3c2CCCC3)CCO1 5347958 MATXANJZUFSWTK-MRXNPFEDSA-N 354.519 5.288 0 40 FKAB COc1ccc(-c2csc(/C=C/c3ccc(Cl)cc3)n2)cc1OC 5417701 BSNIFKBDAJBWCG-BJMVGYQFSA-N 357.862 5.651 0 40 FKAB Cc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)cc1 5753587 ACUBEURFGMHKLR-UHFFFAOYSA-N 374.918 5.503 0 40 FKAB Clc1ccc(CSc2nnc(/C=C/c3ccccc3)o2)c(Cl)c1 6222603 INUNZWBSEFCHQL-RMKNXTFCSA-N 363.269 5.839 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)c(Cl)c1 6243097 KZYPSRZHADMMDO-GFCCVEGCSA-N 360.910 5.289 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 6243440 ANQMAPBQQCIMCZ-HNNXBMFYSA-N 368.546 5.624 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1ccc(CC)cc1)Cc1ccco1 6747454 OEFFPXHSPVNIJQ-UHFFFAOYSA-N 363.457 5.083 0 40 FKAB O=C(CCCc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 9516132 SHPOTUHMIQJJNG-MRXNPFEDSA-N 356.516 5.044 0 40 FKAB Clc1ccccc1-c1nnc([C@H](NC2CCCCC2)c2ccccc2)o1 9683263 OGNZRSUSBJUPCX-LJQANCHMSA-N 367.880 5.402 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14401142 RZBVGJPWOBSYRO-QGZVFWFLSA-N 353.506 5.822 0 40 FKAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14796315 KIFKWDBMFLZMCS-INIZCTEOSA-N 355.478 5.177 0 40 FKAB O=C1c2ccccc2[C@@](Cl)(c2ccc(Cl)cc2)c2ccc(Cl)cc21 17286676 DSZYAQXOZQKZIZ-FQEVSTJZSA-N 373.666 6.069 0 40 FKAB O=C(Nc1ccc(Nc2ccc(Br)o2)cc1)c1ccccc1 19894044 NJSMUNVAWQSUGK-UHFFFAOYSA-N 357.207 5.038 0 40 FKAB COc1cccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)c1 20605561 PEMGUGCUPJSSQH-UHFFFAOYSA-N 370.330 5.584 0 40 FKAB FC(F)(F)c1ccnc(Oc2ccc(-c3nc4ccccc4s3)cc2)n1 24053569 HHSUGMGFAALBEY-UHFFFAOYSA-N 373.359 5.564 0 40 FKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C1CCCCC1 27922729 CFGRGFDOODMUDV-UHFFFAOYSA-N 361.489 5.220 0 40 FKAB O=C(c1ccc(Br)s1)N1CCC[C@H]1c1ccc(Cl)cc1 30367018 WTNABTQFSYXCRX-LBPRGKRZSA-N 370.699 5.141 0 40 FKAB O=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 35662336 PPDWTAHOGGNOQL-UHFFFAOYSA-N 360.034 5.147 0 40 FKAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1 38566832 VBTYJYLMPQWVGT-CYBMUJFWSA-N 365.260 5.023 0 40 FKAB Clc1cccc(COc2ccc(Cl)cc2CNc2ccccc2)c1 107030503 DUBLQPFBSMYEEB-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CCCC2)cc1 222967604 NVTLDTGPEZLDFG-OAQYLSRUSA-N 367.489 5.421 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1cc(C)cc(C)c1 224191160 ZDBLUMGQLKZWGR-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 225407669 QAQADGYGHNDATG-INIZCTEOSA-N 370.562 5.819 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 225592527 JFMAWOZMKRJORE-QGZVFWFLSA-N 358.869 5.544 0 40 FKAB COc1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2c2ccccc2)cc1 226761427 RFKJKCTUNJEBLW-JOCHJYFZSA-N 368.436 5.797 0 40 FKAB CCN(CC)c1nc2cc(Cl)ccc2c(-c2ccccc2)c1C(C)=O 256028126 UZGGDPBHVJZOPR-UHFFFAOYSA-N 352.865 5.604 0 40 FKAB CCCN1C(=O)/C(=C\c2ccc(OC)c3cccc(OC)c23)c2ccccc21 409109573 HLQNWCOLHLLASV-CYVLTUHYSA-N 373.452 5.154 0 40 FKAB O=C(O)[C@H]1C[C@@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cc2)cc1 575372186 GUTRGTCZITZGEB-CVEARBPZSA-N 370.861 5.069 0 40 FKAB CC(C)(C)N1C[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1023955 XMFSKUXGHWGRAM-DNQXCXABSA-N 369.508 6.008 0 40 FKAB Cc1cc(Nc2ccc3c(c2)OCO3)c2cc(C3CCCCC3)ccc2n1 1590485 KZWUXBRFSWGVGS-UHFFFAOYSA-N 360.457 6.063 0 40 FKAB CCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2299595 XQVZBQBJCDKARG-UHFFFAOYSA-N 371.575 6.134 0 40 FKAB O=C1O[C@@](Oc2ccc(Cl)cc2Cl)(c2ccccc2)c2ccccc21 2893095 LALFUOOYRZJLJF-FQEVSTJZSA-N 371.219 5.444 0 40 FKAB Cc1cc2occ(CC(=O)N[C@H]3CCCc4ccccc43)c2cc1C(C)C 3298426 SQYPINQCJOOEPM-QFIPXVFZSA-N 361.485 5.601 0 40 FKAB O=C(CCSc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4034030 LAPWEFJGLXUXTP-UHFFFAOYSA-N 373.481 5.351 0 40 FKAB Cc1cccc(C2=N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)c1 4471787 JAVHHMSMRLOMPB-PDGQHHTCSA-N 363.800 5.253 0 40 FKAB CCCCc1ccc(NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 5689833 DENUKBHKAOSUPK-UHFFFAOYSA-N 367.562 5.828 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 6047545 DTWRDKJUVQWZKW-UHFFFAOYSA-N 373.861 5.292 0 40 FKAB CC(C)C(=O)c1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12 6306635 JBWRWXVDNSWLJO-UHFFFAOYSA-N 370.452 5.272 0 40 FKAB Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1C 6477914 BBTQESLNLICKDL-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB CC[C@H](C)Oc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 6555306 AQKQOYLGESGURL-NSHDSACASA-N 360.866 5.379 0 40 FKAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1c1cccc(Cl)c1 6586245 CLPIARFTYCNASS-LJQANCHMSA-N 369.251 5.765 0 40 FKAB Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@H]21 6960247 XINVOZCMAHTOLH-CNNODRBYSA-N 361.485 5.817 0 40 FKAB COc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 7939585 DDEUKNOJGYVYLN-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 8324953 YJMMUNNRUUHBSM-DISFUBAWSA-N 357.538 5.179 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 8771956 NPQCOXQSPGUGTI-AOMKIAJQSA-N 362.473 5.103 0 40 FKAB O=C(c1ccc(F)cc1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185204 GWAFWEQRNZUSHH-KRWDZBQOSA-N 370.449 5.300 0 40 FKAB Cc1nn(-c2ccccc2)c2scc(-c3ccc(Br)cc3)c12 16266200 WJZWYCVHEIETSO-UHFFFAOYSA-N 369.287 5.825 0 40 FKAB Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCCCC1 16449947 MFVSYWGXFBQUOJ-UHFFFAOYSA-N 361.888 5.871 0 40 FKAB COc1ccc2cc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)ccc2c1 19927289 QXUSPJJMHOUDGG-HXUWFJFHSA-N 369.873 5.280 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H]1C[C@H](c2ccccc2)CCC1=O 24737577 CBLGISWYJDCLIC-BCLZFNBHSA-N 371.521 5.079 0 40 FKAB Cc1ccc(N(Cc2ccco2)C(=O)c2csc(-c3ccco3)n2)cc1 29601796 WWUUKBLEKNCGRD-UHFFFAOYSA-N 364.426 5.152 0 40 FKAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)cc1 32744652 OVCCQIBZDZVEMF-QGZVFWFLSA-N 361.441 5.287 0 40 FKAB CN(c1ccccc1)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl 36391076 PFHYOJLEMNLAIQ-UHFFFAOYSA-N 372.255 5.409 0 40 FKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C1CCCCC1 41107640 ZWVSLQPCMUKHRC-UHFFFAOYSA-N 350.487 5.791 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 78458789 ZXUAOENQBVMISB-RTBURBONSA-N 353.506 5.380 0 40 FKAB O=[S@@](Cc1csc(-c2cccs2)n1)Cc1cccc2ccccc12 84598486 UWTDIUVKBZQWOI-DEOSSOPVSA-N 369.536 5.474 0 40 FKAB CCc1ccc(-c2nc3ccc(NC(=O)c4ccc(F)cc4)cc3o2)cc1 98086955 IUNYNAPQKKUCPR-UHFFFAOYSA-N 360.388 5.449 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1 100270799 HHYLTYRWMUMJHY-MHECFPHRSA-N 357.501 5.702 0 40 FKAB CC(C)c1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 101641581 RTKMPIIWCZNOJE-GOSISDBHSA-N 368.843 5.250 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(C)cc2C)cc1C(C)C 223371379 JPOBEKYMOHEVIH-SFHVURJKSA-N 369.505 5.000 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266296 ITJGVNWHUIIAJP-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225301543 RBUPKDUCLVUCLT-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CC(C)c1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1 226286092 YGMAEBKNHVTNTF-UHFFFAOYSA-N 368.436 5.779 0 40 FKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 408733189 FVMHFAPEBIYZFV-KOSHJBKYSA-N 370.496 6.280 0 40 FKAB Cc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccccc2)cc1 408830311 PCIBAJLXVLISCZ-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCC 409116454 NVABPIZTFKKHOL-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB Cc1cc2c(cc1-c1ccnc(N3CCCCC3)n1)[C@@H](C)CC(C)(C)N2 575473319 YVUGAMSGQPANMH-INIZCTEOSA-N 350.510 5.140 0 40 FKAB CCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 633161 OFWNYBWJJVJMQB-UHFFFAOYSA-N 367.452 5.354 0 40 FKAB CC[C@@H](C)C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@H](C)CC)cc2)cc1 683156 DFBCMXYLFRNJBB-IAGOWNOFSA-N 366.505 5.247 0 40 FKAB CCCCc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc23)cc1 1777761 RZLNLTUUEKYFBQ-UHFFFAOYSA-N 362.473 5.806 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)CCc2ccccc2)cc1 2631649 QVMJJHAIYOKIKA-XMMPIXPASA-N 372.468 5.117 0 40 FKAB CCc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 5021703 ARFRDUYRQIYODI-UHFFFAOYSA-N 364.452 5.507 0 40 FKAB Cc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)oc2ccccc12 5792722 TYSSSXVHTGSIMT-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 6764053 LNWVKWRAIJAJGZ-BGWLNWIQSA-N 366.892 5.790 0 40 FKAB O=C(CSc1nccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 9970844 YQVHTDFLTCLZQV-UHFFFAOYSA-N 363.269 5.272 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1cccs1 14704922 ZWEWXPUNQCSNDS-ZDUSSCGKSA-N 357.862 5.475 0 40 FKAB CC(C)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 16575965 VNUAZYDJDPZKCS-UHFFFAOYSA-N 350.643 6.034 0 40 FKAB CC(C)=CCC/C(C)=C\COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 17044397 OXGQHWNNUNQVHI-GDNBJRDFSA-N 372.892 6.007 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 17075354 BKXBNHSSDMLDBG-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB CC(C)C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 20043847 HJXVHNYRIAYXNV-JOCHJYFZSA-N 350.506 5.194 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)c(C)c1 20047905 BNMMRPJVCPZCMN-CQSZACIVSA-N 365.901 5.207 0 40 FKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(F)cc1Br 24454824 GWZYMMGBPAHUHV-JTQLQIEISA-N 370.649 5.075 0 40 FKAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3Br)ccc21 28225128 YATNTULNCODURT-UHFFFAOYSA-N 371.278 5.293 0 40 FKAB O=C(Nc1ccccc1F)C1(c2cccc(C(F)(F)F)c2)CCCC1 29512483 GWUUQUWJZPLBGT-UHFFFAOYSA-N 351.343 5.295 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412098 GLOOVCDFEJLTEH-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71326250 MNOZKZWHNFEUFL-UHFFFAOYSA-N 354.397 5.518 0 40 FKAB COc1cc(NC(=S)Nc2cccc(C(C)C)c2)c(OC)cc1Cl 71326252 OYLYNTOKSQVBII-UHFFFAOYSA-N 364.898 5.290 0 40 FKAB O=C(CCSc1ccccc1)NCc1ccccc1-c1ccsc1 96383250 WIFPSMLINHGSBR-UHFFFAOYSA-N 353.512 5.214 0 40 FKAB CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 100003604 OXCUPNWUHRJSMT-KDURUIRLSA-N 368.492 6.899 0 40 FKAB CCCCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105363816 ULKPKSITLDMDMJ-GXQSQTKBSA-N 365.558 5.325 0 40 FKAB biogenic Clc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 107019318 OPGKMBGASUTMPO-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222826952 RAISJRDHPQTZRA-AWEZNQCLSA-N 355.890 5.290 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 222997280 ZISGOUPFEWDPCU-VXKWHMMOSA-N 353.506 5.364 0 40 FKAB CCCOc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223330451 ZBXJQPHKRKVCMV-QGZVFWFLSA-N 369.505 5.407 0 40 FKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1cccc(C)c1 224108398 NFXPJMKGRCOFKF-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC 224436023 FBCYIUBDWYDONB-UHFFFAOYSA-N 363.457 5.417 0 40 FKAB CCCOCc1cc(C(=O)Nc2cccc3ccccc23)ccc1OCC 224704909 DBFXANQYQKPBOP-UHFFFAOYSA-N 363.457 5.417 0 40 FKAB Nc1ccc(Nc2ccccc2Oc2ccccc2)c(C(=O)N2CCCC2)c1 225495316 XVSLSZGTWDWCNW-UHFFFAOYSA-N 373.456 5.041 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2F)c2ccccc2)c(C)c1 225767677 URFZESGGOFVGCK-OAQYLSRUSA-N 364.489 5.519 0 40 FKAB COc1ccc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(C)nc2c1 408712937 CFBAYSWDYMKWIL-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c(C)c1 409109989 PAYUMXMVWUHAFW-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 664288 GUBUJMUCUCTSOC-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Oc1ccccc1C1=Nc2ccccc2S[C@H](c2ccc(Cl)cc2)C1 1043898 BBINGBZMFOMNKD-NRFANRHFSA-N 365.885 6.404 0 40 FKAB Cc1cccc2c1Oc1ccccc1[C@H]2NC(=O)OCCc1ccccc1 1593453 VFGZOKGSDBQIKK-OAQYLSRUSA-N 359.425 5.159 0 40 FKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 1719997 NIABHPPISVHWPZ-UHFFFAOYSA-N 360.844 5.868 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2081666 CQHOSKYFUCYHQK-HXUWFJFHSA-N 367.901 6.121 0 40 FKAB CCO[P@@]1(=O)C(c2ccccc2)=C(C(=O)OC)C[C@H]1c1ccccc1 2266026 LDDAIZZDLBKFJB-AVRWGWEMSA-N 356.358 5.030 0 40 FKAB Clc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 2331621 WZBSZCZFXFYLMW-UXHICEINSA-N 356.252 6.224 0 40 FKAB CCO[P@](=O)(NC(C)C)SCc1c(Cl)sc2ccccc12 2383429 PSFQIWLQWOFLJE-LJQANCHMSA-N 363.872 5.931 0 40 FKAB O=C(/C=C/c1cccc(F)c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 3231520 LOYZEVGMVOTALE-MDWZMJQESA-N 357.388 5.021 0 40 FKAB c1ccc(-c2ccc(-c3csc(N4CCCc5ccccc54)n3)cc2)cc1 3256921 GMPWPSFKNAGMRJ-UHFFFAOYSA-N 368.505 6.561 0 40 FKAB C(=C1\CCC[C@@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1)\c1ccccc1 3905125 ZOJBDGHYJINECO-SFMHNSJBSA-N 364.492 6.488 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F 4886926 UUZUWTPUGIDWJI-UHFFFAOYSA-N 361.388 5.589 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C)o2)cc1Cl 6302845 BHCXVXWRXCMKEV-ZRDIBKRKSA-N 351.833 5.869 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccnc(C34CC5CC(CC(C5)C3)C4)c2)cc1 7009507 PBCWFVBBKTYVFZ-UHFFFAOYSA-N 374.528 5.925 0 40 FKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=S)c1ccccc1 9434787 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OYPXZHWNJDOSIL-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1cccc(Cl)c1 22073116 FPGBARBBIJVUMJ-UHFFFAOYSA-N 351.837 5.348 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)Nc3ccon3)c2c1 28227158 MXHZLTVWGOECOX-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB Nc1cc(-c2nc3cccc(Cc4ccccc4)c3o2)c(Cl)cc1Cl 57352787 RNZHWQGDECCBJK-UHFFFAOYSA-N 369.251 5.975 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)ccc1F 71760589 DQIMXARCFRAFFR-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@@H]1c1ccc[nH]1 84367160 CVUYSJGGEQEURJ-MRXNPFEDSA-N 374.362 5.271 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 100066808 IBBHEQXRACLNGJ-VBSDCSAUSA-N 364.316 6.261 0 40 FKAB CC1(C)CC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)C1 100698785 NHPOEGRDVKMVPV-UHFFFAOYSA-N 358.522 5.104 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219326489 QNMNXTMSCDQOSQ-NRFANRHFSA-N 373.924 5.370 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 225051029 RVTPTZGAAVRKOA-UHFFFAOYSA-N 361.510 6.156 0 40 FKAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C(C)(C)C)cc1 225616889 REEOPVBUJDCCDC-CQSZACIVSA-N 374.322 5.167 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)c2ccccc12 225801166 MKIBRQJTEUQUJI-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225826066 DPNKEVVWWLRQAU-QFIPXVFZSA-N 357.494 5.551 0 40 FKAB Cc1cc(C(=O)OC2CCCCC2)ccc1-c1cc2ccccc2oc1=O 226358037 GESCXSBUGKWJQM-UHFFFAOYSA-N 362.425 5.258 0 40 FKAB Cc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C 408909002 ZXYKFWLCMWTJEE-RCCKNPSSSA-N 361.872 6.136 0 40 FKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)c1 408964015 FEQCLHLFKWUVJS-XMHGGMMESA-N 360.438 5.027 0 40 FKAB Cc1ccc(-n2c(C)nnc2SCc2ccc3ccccc3c2)cc1C 409108255 SVELWGCRGKTHGE-UHFFFAOYSA-N 359.498 5.638 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)cc1C 409118326 PYAMDRJJYTXKBZ-UHFFFAOYSA-N 361.441 5.193 0 40 FKAB CCc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 409120388 VSNFGHJOMFSQCZ-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB CC(C)CCC[C@]1(C)Oc2cc(CCC(=O)O)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265400 BERXZMGCZKPAPY-AUUXCDECSA-N 374.521 5.537 0 40 FKAB CC(=O)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 868191 MFRVBFXBCYFOJD-UHFFFAOYSA-N 367.404 5.324 0 40 FKAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3c(C)cccc3C)nc2c1 924402 PTAWDVHDLBQXAT-UHFFFAOYSA-N 364.514 5.508 0 40 FKAB COc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 1324230 YLIIDTGPHSLCCE-UHFFFAOYSA-N 364.470 5.083 0 40 FKAB c1ccc(CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)nc1 1332808 HOJFOGJCOTXBSR-UHFFFAOYSA-N 353.516 5.135 0 40 FKAB C(/C=C/c1ccc(-c2ccccc2)cc1)=C\c1ccc(-c2ccccc2)cc1 1670929 FNGCNIQEQUNTCR-FIFLTTCUSA-N 358.484 7.747 0 40 FKAB C[C@H](/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1 1712859 ZIBMZYVKNSKPBU-QAVQXKDTSA-N 366.096 6.029 0 40 FKAB CN(C)CCSCCN1c2ccccc2Sc2ccc(Cl)cc21 1726497 YTQYOEICNWMLRZ-UHFFFAOYSA-N 364.967 5.238 0 40 FKAB CCCCOc1ccc(CCc2ccc(C3CCC(CC)CC3)cn2)cc1 2074780 NUQQGAWRAPZIAN-UHFFFAOYSA-N 365.561 6.730 0 40 FKAB CC(C)OP(=O)(CCP(=O)(OC(C)C)OC(C)C)OC(C)C 2149949 HVINTUFGJARCPM-UHFFFAOYSA-N 358.352 5.073 0 40 FKAB Cc1ccc(-n2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1 2733355 MCBBHLYWEYKKLO-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB Cc1nc2ccccc2c(C(=O)Nc2ccccc2Cc2ccccc2)c1C 3278369 KFBGOROOMBEWSF-UHFFFAOYSA-N 366.464 5.695 0 40 FKAB C(=C/c1nc2ccccc2n1CCCCOc1ccccc1)\c1ccco1 5461824 WRYHGSBVAHPSFD-CCEZHUSRSA-N 358.441 5.659 0 40 FKAB Cc1ccc2cc(CSc3nnc(-c4ccco4)o3)c(Cl)nc2c1C 7136274 QMFKYUIKPXIPEH-UHFFFAOYSA-N 371.849 5.440 0 40 FKAB C[C@H](Sc1nc2ccccc2o1)C(=O)n1c2ccccc2c2ccccc21 10381924 BJNLAGAXKKOFFV-AWEZNQCLSA-N 372.449 5.757 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Cl 14401754 ZAMYADAOMIFTED-GFCCVEGCSA-N 366.288 5.697 0 40 FKAB CCOC(=O)c1cnc2ccccc2c1Sc1nc2ccccc2s1 19897628 JWIHBEKRZOANFC-UHFFFAOYSA-N 366.467 5.172 0 40 FKAB CC(C)C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 20456782 FTJXDGQXFCRHMK-IBGZPJMESA-N 361.938 5.477 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 20459665 DRSBICAMTFQZAH-IRXDYDNUSA-N 359.897 5.218 0 40 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N[C@@H](COc1ccc(F)cc1Oc1ccc(Cl)cc1)Cc1ccccc1 643550348 ULSXEQFIEIVAHB-GOSISDBHSA-N 371.839 5.220 0 40 FKAB Cc1ccccc1/C=C/C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 848311 WBTSNSGTJKKPOS-MDZDMXLPSA-N 368.889 5.348 0 40 FKAB CCN(CC)CC[C@@H]1CN(C(C)C)CC1(c1ccccc1)c1ccccc1 1569163 SZEYNVKHRPNYEN-XMMPIXPASA-N 364.577 5.045 0 40 FKAB Cc1ccc(-c2nc(Nc3cccc4ccccc34)c3ccccc3n2)cc1 1775382 NGVKBLOSZARHQS-UHFFFAOYSA-N 361.448 6.502 0 40 FKAB CCC12CCC(c3ccc(-c4ccc(Br)cc4)cc3)(CC1)CC2 2049165 SVTCMTUPQWLVLS-UHFFFAOYSA-N 369.346 7.118 0 40 FKAB CC(C)Oc1ccc(CNCC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 2432474 XSQWQHCMNCZHKU-UNMCSNQZSA-N 361.570 5.431 0 40 FKAB Cc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccc(F)cc1 2689448 ALALAKCVYYLVMR-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB COC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc2c1CCCCC2 2752897 PERWQADYWAYXME-UHFFFAOYSA-N 371.502 5.179 0 40 FKAB Cc1c(C)c(C)c(C(=O)Nc2nc(-c3cccs3)cs2)c(C)c1C 3358652 GKNYYSYMULYSSO-UHFFFAOYSA-N 356.516 5.666 0 40 FKAB Cc1ccccc1COc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1 5248502 NNPMYICVXDLXKX-UHFFFAOYSA-N 356.425 5.337 0 40 FKAB CSc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 5299118 UXHFRNFNHDPADW-UHFFFAOYSA-N 368.405 5.289 0 40 FKAB CC(=O)Nc1ccc(/N=c2\cc(-c3cccs3)oc3ccccc23)cc1 5451127 SWBREOKFNCAJJB-PTGBLXJZSA-N 360.438 5.352 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1C(F)(F)F 6288834 VWYXIJZVQQTISZ-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB CCc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Cl)cc1)=N2 6844189 MKCGECYFBGIXAK-UHFFFAOYSA-N 365.889 5.398 0 40 FKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3ccccc23)cc1 8273737 VFIFHWCFJITJNH-UHFFFAOYSA-N 369.468 5.033 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)cc1 9660029 SQVCHQRUXFBJBG-UHFFFAOYSA-N 370.408 5.412 0 40 FKAB biogenic COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(C)c1)C(C)(C)N2 13551661 SVVQQBSUBURECW-VZCXRCSSSA-N 368.527 5.687 0 40 FKAB COc1cc(SC)ccc1C(=O)NCCCC12CC3CC(CC(C3)C1)C2 14246120 PPDOVWSNJJJTKB-UHFFFAOYSA-N 373.562 5.144 0 40 FKAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccc2ccccc2c1 14701680 SXNKXIUTGMNDOZ-UHFFFAOYSA-N 353.849 5.082 0 40 FKAB Cc1ccc(C)c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 16285064 KTGWKOAHHLJVNU-UHFFFAOYSA-N 371.505 6.918 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 20458296 XDLXZLPWVPJZBA-YKSBVNFPSA-N 373.496 5.285 0 40 FKAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)c2ccccn2)cc1 27989728 CHJYPQODRFPXHQ-UHFFFAOYSA-N 374.484 5.126 0 40 FKAB Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3cccc4ccccc34)o2)c1 32759507 DWIAPBSJBLMDOX-DLBZAZTESA-N 357.457 5.610 0 40 FKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39773226 HKWKFGWNFHTCGX-UHFFFAOYSA-N 370.924 5.314 0 40 FKAB Clc1nc2ccccc2cc1CNc1cccc(OC[C@H]2CCCO2)c1 58063255 OSUJXCSOGPYLMU-LJQANCHMSA-N 368.864 5.058 0 40 FKAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCCCCCC1 58403992 YTALAINYRARZKT-UHFFFAOYSA-N 356.441 5.203 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Cl)c(Cl)c1 59345944 APMNPJIURREJKD-GFCCVEGCSA-N 366.313 5.204 0 40 FKAB CCc1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339403 YICMDIRSSWPSGW-CSKARUKUSA-N 370.246 5.410 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72215118 GPXIWYQIHNNMMD-FUHWJXTLSA-N 361.530 5.167 0 40 FKAB CCOc1cc(C(=O)O)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 96111250 FQJDJGZCZSOONJ-UHFFFAOYSA-N 350.201 5.239 0 40 FKAB COc1ccccc1/C=C(/CCCC(=O)O)c1nc2ccccc2s1 96861793 NCSSYAYDEXZUKO-SQFISAMPSA-N 353.443 5.100 0 40 FKAB CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118929293 KYOSVBVRSIAGAV-CMMKBGCWSA-N 360.538 5.166 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 118936486 BRZLCOPFROJRBE-NQVBVXCISA-N 366.492 5.452 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 198230891 QBYJBZPUGVGKQQ-DPKHFTIHSA-N 364.914 5.270 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 225086735 WTTTWUFKUGDXKZ-CQSZACIVSA-N 361.677 5.435 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc(Br)c1 225344414 NIPGRXGFKYGRMS-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225575262 UKGCSFCKSCVHBI-SFHVURJKSA-N 354.519 5.399 0 40 FKAB COc1ccc(CCCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C 409002294 MZYROTMSMNQWEB-UHFFFAOYSA-N 359.469 5.632 0 40 FKAB Cc1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 409224421 LIPQWLMXKIYGBY-UHFFFAOYSA-N 353.347 5.391 0 40 FKAB C[C@@H](CC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)CC(C)(C)C 575360528 IHWNLZAPCWKCFA-JTQLQIEISA-N 354.334 6.369 0 40 FKAB Nc1c2c(nc3oc(-c4ccccc4)cc13)C[C@H](c1ccc(F)cc1)CC2=O 1548338311 GOSNUHNLRRPENG-HNNXBMFYSA-N 372.399 5.129 0 40 FKAB Cc1cccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c1 1437018 FNSTUJFCNMQLFF-GBLLSMIGSA-N 353.465 5.477 0 40 FKAB CCCCCCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 1583046 NCZDUTFCFWABGZ-MRXNPFEDSA-N 356.462 5.535 0 40 FKAB COC(=O)[C@@H](c1ccccc1)[C@H](SCc1ccccc1)c1ccccc1 1734649 CNLXKOBPBLLNJC-FCHUYYIVSA-N 362.494 5.618 0 40 FKAB Fc1cccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 2638925 YCZFOFVTLHEBPS-UHFFFAOYSA-N 355.825 5.894 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(Oc2ccccc2)cc1 2652759 SZHQVBXUBMDSQU-OAHLLOKOSA-N 368.816 5.505 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 2737616 FJMFONANYZJUKU-UONOGXRCSA-N 365.539 5.205 0 40 FKAB Cc1ccc(SCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 5191126 WFKZIXZVMKNELE-UHFFFAOYSA-N 372.490 5.379 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccn2C)N3)C1 6273013 NBOMMDQGQCGHSJ-PXAZEXFGSA-N 357.523 5.057 0 40 FKAB COc1ccc([C@@H]2Nc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 6678040 MRKZVZNQAMCIHA-XZOQPEGZSA-N 373.431 5.110 0 40 FKAB Cc1ccc(NC(=O)Cc2nc(-c3oc4ccccc4c3C)cs2)cc1 7844327 QBGDFIQGBNWALU-UHFFFAOYSA-N 362.454 5.354 0 40 FKAB Cc1ccc2cc3c(NC(=O)C4CCCCC4)nn(CC(C)C)c3nc2c1 9287586 YPVYJADDMBLUGH-UHFFFAOYSA-N 364.493 5.068 0 40 FKAB COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(O)cc23)cc1 12370965 GZBUZCUHQUUESZ-DARPEHSRSA-N 373.408 5.055 0 40 FKAB biogenic Cc1sc(NC(=O)C2(c3ccccc3)CC2)nc1-c1ccc(Cl)cc1 12602949 YAGJDMTYXLCFER-UHFFFAOYSA-N 368.889 5.442 0 40 FKAB O=C(c1ccccc1)[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 12681956 FQQILJJOGRIORU-HXUWFJFHSA-N 371.465 5.188 0 40 FKAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3Cl)cs2)cc1 12974815 JJOWIORPCNGHNN-UHFFFAOYSA-N 356.878 5.044 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 14013269 LJLLHWULPBQKDN-JOCHJYFZSA-N 361.441 5.583 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)cc1 14577230 PBVBRZFPYXUXHE-FQEVSTJZSA-N 369.386 5.533 0 40 FKAB Cc1ccsc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15016905 CMGUXDWWOAURKL-BEFAXECRSA-N 352.484 5.360 0 40 FKAB CC1=Nc2c(-c3ccc(Br)cc3)c(C)nn2[C@H](c2ccco2)C1 17075838 IQGFWPSYNFJRIB-HNNXBMFYSA-N 370.250 5.300 0 40 FKAB Cc1nc(-c2ccccc2)c(C(=O)OCc2nc3ccccc3s2)s1 18765061 IHOHAKINVMPWTA-UHFFFAOYSA-N 366.467 5.085 0 40 FKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)C3CCCC3)c2)c1 19686984 RONNOZVRLKYFCT-QHCPKHFHSA-N 362.517 5.143 0 40 FKAB C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(F)cc1F 21708490 KDOHSDLABKRBMN-OAHLLOKOSA-N 367.395 5.035 0 40 FKAB CCOP(=O)(OCC)[C@@H](/C=C(/Cl)c1ccc(Cl)cc1)N(C)C 33373980 XWHIBLPWZFUSPE-GOFCXVBSSA-N 366.225 5.074 0 40 FKAB Brc1ccc(OCC[C@H]2CCCCN2)c(-c2ccccc2)c1 42770691 FGLVDYHFKKDNLN-QGZVFWFLSA-N 360.295 5.027 0 40 FKAB CCCn1cc(-c2nc(-c3ccc(C)c(C)c3)no2)c(=O)c2cc(C)ccc21 64963703 GFVOKDXPIZBLSA-UHFFFAOYSA-N 373.456 5.054 0 40 FKAB Cc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1cccc(Cl)c1 69902537 VERDEKKWTXXRNO-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB CCCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OC 106993528 SQZOULBBFMTHLY-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB C[Si](C)(C)C1=C[C@@H]([Si](C)(C)C)C([Si](C)(C)C)=C[C@@H]1[Si](C)(C)C 169816692 HDFLQRJSCHMOCV-RHNCMZPLSA-N 368.862 7.024 0 40 FKAB CCCOCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC 224414011 SZCHWWWJYXQHJK-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COC(C)C 224715262 PVFRQKFQRNFVCV-UHFFFAOYSA-N 363.457 5.416 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 224940110 PXHYLUYNMBCWLQ-UHFFFAOYSA-N 374.937 5.202 0 40 FKAB CC(C)(C)c1ccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225085425 CLNKYIRGUWNYTK-QGZVFWFLSA-N 367.272 5.366 0 40 FKAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccccc1Cl 225138545 OBMWJYBGOPSTBZ-FQEVSTJZSA-N 368.816 5.207 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(-c3ccncc3)ccc21 225639327 QFTIUYSNVXHZNA-UHFFFAOYSA-N 369.251 5.258 0 40 FKAB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 247932649 QZFAQZJNUOXQME-RODAYXDMSA-N 367.876 5.643 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2c(ccc3ccccc32)o1 408630008 MCHBHJFSYGQBED-UHFFFAOYSA-N 356.208 6.145 0 40 FKAB CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2C)n1 408724041 CWQSITHSHGXLKZ-UHFFFAOYSA-N 356.425 5.178 0 40 FKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 409122339 YCHKJXDLUUHIHH-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB O=C(Cc1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358739 CDYJRRRESNHVDN-UHFFFAOYSA-N 363.460 6.582 0 40 FKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccco4)nn13)[C@H](C)CC(C)(C)N2 575473111 GZLJVJQZBDOIIH-CQSZACIVSA-N 373.460 5.057 0 40 FKAB C[C@@H]1C[C@@H](c2ccc(Cl)c3ncccc23)CN(C(=O)OC(C)(C)C)C1 1772715185 RSFJQFFCUXNJAY-ZIAGYGMSSA-N 360.885 5.249 0 40 FKAB O=C(Nc1cccc(Cl)c1)OCc1cc(-c2ccccc2Cl)on1 1394135 IWXSGSFFVZNWPM-UHFFFAOYSA-N 363.200 5.397 0 40 FKAB CC(C)Oc1ccc([C@H](CCN[C@@H](C)c2ccccc2)c2ccccc2)cc1 1831452 MQORINLVPMKXGS-HFZDXXHNSA-N 373.540 6.347 0 40 FKAB biogenic Cc1ccc(Cl)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2081884 YNTCLKVKNJQWDE-FQEVSTJZSA-N 367.901 6.121 0 40 FKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1c(C)cc(C)cc1C)C3 2114367 JTPWTQQBDCIUGQ-UHFFFAOYSA-N 363.457 5.027 0 40 FKAB biogenic CC[C@@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12 2359747 GUSSSKCSJCBFMR-CYBMUJFWSA-N 356.901 5.558 0 40 FKAB CCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 3166698 XPAYCIZTBUSTHD-UHFFFAOYSA-N 373.481 5.268 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 3388211 ZHUZALDPMSXFAS-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1 3848437 KIVMSRXAWMFDGS-UHFFFAOYSA-N 350.531 6.467 0 40 FKAB biogenic Cc1ccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccc(C)cc3)C2)cc1 4666090 SKMPHBFBTPTXGH-HSZRJFAPSA-N 372.443 5.434 0 40 FKAB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1Cl 4690611 CZVOATKRBVMHQG-VIZOYTHASA-N 366.631 5.300 0 40 FKAB c1ccc(Nc2ncnc3cc(C45CC6CC(CC(C6)C4)C5)sc23)cc1 4905737 YWKFZJOMVGHIQJ-UHFFFAOYSA-N 361.514 5.903 0 40 FKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1cccs1 5205436 LFARYOPZWFOAAS-UHFFFAOYSA-N 363.463 5.242 0 40 FKAB CSc1nc(SCc2ccc(F)cc2)c2c3c(sc2n1)CCC3 5303767 BVDRHNGJTATSLB-UHFFFAOYSA-N 362.520 5.333 0 40 FKAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 5520342 OGYNLPSQZYDIFK-UHFFFAOYSA-N 365.260 5.230 0 40 FKAB O=C1O/C(=C(/Br)c2ccc(Cl)c(Cl)c2)c2ccccc21 5940734 ZQFZNUGBXGOFGL-BUHFOSPRSA-N 370.029 5.385 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccccc2C)cc1 6204972 QYDLBDCZPUJJIG-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCCCOc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 6264471 YRMGBSYHIOKTNR-UHFFFAOYSA-N 374.893 5.689 0 40 FKAB O=C(c1cccnc1Sc1ccccc1)N1CCC[C@H]1c1cccs1 6608213 VJVXDPGKSWLQDB-KRWDZBQOSA-N 366.511 5.272 0 40 FKAB CCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(C)cc2)cs1 6826658 ILLPPLBLSIOTJP-UHFFFAOYSA-N 365.502 5.794 0 40 FKAB Cc1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 7687336 MDDRZDYNAWSKDT-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1ccccc1 10464364 PQQBHNWSGPWIOJ-QGZVFWFLSA-N 373.456 5.164 0 40 FKAB Cc1nc(CSc2ccccc2C(=O)NC2CCCCCC2)cs1 11557914 VGCDWXXWWCBYOJ-UHFFFAOYSA-N 360.548 5.196 0 40 FKAB Clc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1Cl 12563431 KGAZSYFAPIVJIN-FQEVSTJZSA-N 366.251 5.983 0 40 FKAB COc1ccccc1[C@@H](C)NC(=O)CC(c1ccccc1)c1ccccc1 12784846 STYWBXHZRJLYKA-GOSISDBHSA-N 359.469 5.095 0 40 FKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cs1 12986556 CWVMZRWIIKBOJG-UHFFFAOYSA-N 366.486 5.406 0 40 FKAB CC(C)c1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 13073317 NFZDARHBPZELIY-UHFFFAOYSA-N 365.304 5.187 0 40 FKAB CC(=O)N1CCc2cc(-c3nc(-c4cccc(Cl)c4)sc3C)ccc21 14103333 XKPRHZUNBLFXLS-UHFFFAOYSA-N 368.889 5.348 0 40 FKAB CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1c(O)oc2ccccc2c1=O 17220078 PRSOPHSUKXJKIM-WQDROVKFSA-N 366.501 6.460 0 40 FKAB COc1ccc2cc([C@H]3SCC(=O)N3c3cccc(Cl)c3)ccc2c1 19927284 CEKPMCZOMCQVIN-HXUWFJFHSA-N 369.873 5.280 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20137638 ODHGZZDPFDVPFO-UHFFFAOYSA-N 369.848 5.468 0 40 FKAB O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)oc1ccccc12 20533918 UMOUQNGVLVUAOZ-UHFFFAOYSA-N 374.421 5.458 0 40 FKAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1Cl 23042641 XXRFKPNCHFHLSP-LBPRGKRZSA-N 368.864 5.207 0 40 FKAB CCc1cccc(CC)c1NC(=O)Cc1csc(-c2ccc(F)cc2)n1 23116269 ANSDOKBLCZFPAH-UHFFFAOYSA-N 368.477 5.255 0 40 FKAB O=C(Nc1ccccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 37867845 ODTUVUICYOIYRF-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1 52410559 KVYYGJSWVOZDIG-UHFFFAOYSA-N 371.651 5.248 0 40 FKAB C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2o1)C1CC1 65551045 USMIHMMKGKAUSV-ZDUSSCGKSA-N 360.379 5.572 0 40 FKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1nc2ccccc2o1 71810929 ZVADCDDSEWDQDD-MRXNPFEDSA-N 371.440 5.278 0 40 FKAB Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)o1 118916284 ZMDCSLTVAOWENP-WHADXRCMSA-N 368.561 6.375 0 40 FKAB Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 216571435 ZUQZTKQDYSQTTM-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1cccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 408621151 JYDKJNQJAKQJEO-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB O=C(Nc1ccccc1C(=O)Nc1ccc2ccccc2c1)c1cccs1 852990 SRYRCIOJWKUMAC-UHFFFAOYSA-N 372.449 5.406 0 40 FKAB COC(=O)c1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1 949538 JUUUPECORDQKJR-UHFFFAOYSA-N 369.424 5.135 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4O)cc3)sc2c1 1004177 JURHFSYBJXOBOY-UHFFFAOYSA-N 360.438 5.230 0 40 FKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC(C)(C)C 2889808 QNQMFPJADWCAPF-UHFFFAOYSA-N 359.491 5.193 0 40 FKAB CC(C)c1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1 3180761 GUXRNCAQTWASOC-UHFFFAOYSA-N 365.500 5.643 0 40 FKAB CSc1ccc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)cc1 3353827 QYPJEOKHZFJEJG-DTQAZKPQSA-N 359.494 5.651 0 40 FKAB Cc1ccc(C2=NN[C@](C)(c3ccc(C4CCCCC4)cc3)S2)cc1 3772554 NFJLLURVSWCMMA-QFIPXVFZSA-N 350.531 5.914 0 40 FKAB CCCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1 4117183 YHXCXRGIXGMGEO-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)c(Cl)c1 4886675 MSKXGYMYRQWKPA-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 4974881 DRRJWMXJIVWKKW-HFOLXAOLSA-N 356.506 5.160 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCCCC3)c2c1 5942826 HAYFMTIMMSRJPX-UHFFFAOYSA-N 358.485 5.453 0 40 FKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OC(C)C)c2)c1 6263864 OXHXJJUYPKKGBM-UHFFFAOYSA-N 374.868 5.118 0 40 FKAB Cc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3Cl)n2)cc1 6341708 VBDKXQUQKKFIPX-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 6544117 JIHLKYOSSAERSH-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB Cc1ccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 6922861 QSQAAUAUYAKKNB-UHFFFAOYSA-N 358.292 5.052 0 40 FKAB COc1ccccc1CNc1nc(-c2cc(C)n(C3CC3)c2C)cs1 7843260 WYGMUZAFCQQJCS-UHFFFAOYSA-N 353.491 5.184 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl 8762035 CYVKKARXMFRBOY-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB Cc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120296 NKBIKHJTMSKWMS-UHFFFAOYSA-N 370.452 5.350 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12999830 INLRRODBCPTJPQ-UHFFFAOYSA-N 368.868 5.104 0 40 FKAB Cc1c(Cl)cccc1NC(=O)N1c2ccccc2Sc2ccccc21 13717126 MLWZSTCGWXTTGF-UHFFFAOYSA-N 366.873 6.483 0 40 FKAB CCCCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 13897258 UQWZVEPVXJJVHP-UHFFFAOYSA-N 369.468 6.198 0 40 FKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1Cl 15867402 HHDFTLJTAMJMJV-UHFFFAOYSA-N 357.812 5.619 0 40 FKAB COc1ccc2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3)c2c1 16266089 PSZMLPUDFWFNOI-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB O=C(Nc1ccc(CN2CCCC2)cc1)c1sc2ccccc2c1Cl 17076032 UDUVFHFGTSIEFF-UHFFFAOYSA-N 370.905 5.403 0 40 FKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)cc1 19894517 SODBBQMIXAQDTM-UHFFFAOYSA-N 358.850 5.143 0 40 FKAB Cc1ccccc1NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072478 PLALRFSYRYIAQG-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(C(C)C)cc1 22073013 CLNXIOBYADNPBT-UHFFFAOYSA-N 359.473 5.818 0 40 FKAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1 30116557 UDTHOBDBLQFGDB-UHSVVUDUSA-N 351.412 5.099 0 40 FKAB Cc1[nH]c2ccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc2c1C 32341645 UUXCJRUBCSKWMN-CQSZACIVSA-N 363.486 5.228 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 59351574 QCJVDWCBQPSVNU-HXUWFJFHSA-N 357.497 5.703 0 40 FKAB Clc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 59472251 HGZQVKIDMRXLPM-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2Cl)o1 71279998 FXCRRPOWBFYQIX-CYBMUJFWSA-N 355.825 5.501 0 40 FKAB CC(C)CCC[C@@H](C)N1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102043862 UOZUFDWIHKSHFC-OAHLLOKOSA-N 369.534 5.587 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223492612 BWQBUUIJXKWONP-SIKLNZKXSA-N 353.506 5.264 0 40 FKAB CC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344725 LZSPZZRRSBGWIL-CYBMUJFWSA-N 363.910 5.169 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224468565 CTTUHHQCCZEYRM-QFIPXVFZSA-N 374.484 5.085 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COCC(C)C 224736028 XMLGDKAWSIQILQ-UHFFFAOYSA-N 355.478 5.127 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224977086 UAHQZMKAFQMDFD-OAQYLSRUSA-N 366.505 5.090 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=S)NC1CCCCCC1 225192572 WGUVLRFOUIGGSS-UHFFFAOYSA-N 355.345 5.075 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)CC(C)(C)O2 225672499 SLOQMWRFZNWFBJ-IBGZPJMESA-N 368.546 5.707 0 40 FKAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 225676923 SWSJRVLDNKDIEW-SFHVURJKSA-N 354.519 5.201 0 40 FKAB S=C(Nc1ccccc1)NC1(CCc2ccc(Cl)cc2)CCCC1 225840455 SWQICZXWPOYINH-UHFFFAOYSA-N 358.938 5.572 0 40 FKAB COc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225847203 OWDYMDJMXKJXMI-UHFFFAOYSA-N 360.910 5.105 0 40 FKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1cccs1 810518 FIJLUDMBCJAJGD-HXUWFJFHSA-N 353.487 5.220 0 40 FKAB CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc3ccccc3cc1O2 841163 RFJOOKVTZSKSQH-QHCPKHFHSA-N 357.409 5.377 0 40 FKAB C[C@@H]1CC(C)(C)N(C(=O)c2sc3ccccc3c2Cl)c2ccccc21 852656 MNVWUPOXSIGJNY-CYBMUJFWSA-N 369.917 6.487 0 40 FKAB Cc1ccc(N2CN(c3ccc(C)cc3)CN(c3ccc(C)cc3)C2)cc1 1680970 UAJWDYLSRSNGFH-UHFFFAOYSA-N 357.501 5.318 0 40 FKAB Fc1ccc(-c2nnsc2Sc2ccc(Cl)c(Cl)c2)cc1 3118888 ZHOMWPLIDBUTJN-UHFFFAOYSA-N 357.262 5.802 0 40 FKAB O=C(Nc1ccccc1)[C@H](Cc1ccc(Cl)cc1)C(=O)c1ccccc1 3327236 XRVWQKKRGIQJNR-HXUWFJFHSA-N 363.844 5.020 0 40 FKAB Fc1ccc(CSc2nnc(Nc3ccccc3F)s2)c(Cl)c1 3337471 NZLMQCVJARIOCC-UHFFFAOYSA-N 369.849 5.506 0 40 FKAB Clc1cccc(Cl)c1COc1cccc(CNc2ccccc2)c1 3666850 HYTPVTAVUMGZAH-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB OC1=N[C@H](c2cccc3ccccc23)Nc2scc(-c3ccccc3)c21 4571814 AWMJPWHUJSTVCJ-FQEVSTJZSA-N 356.450 5.997 0 40 FKAB O=C(Nc1ccc(Cc2ccccn2)cc1)c1ccc2c3c(cccc13)CC2 4624047 YSXCJIZJJLAIOW-UHFFFAOYSA-N 364.448 5.177 0 40 FKAB CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1 4784137 GZRLJWKTEZCGJV-UHFFFAOYSA-N 373.330 5.420 0 40 FKAB COc1cc(OC)cc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1 5633901 NRRRBWXALADIFK-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 5698283 WKYSSBOKYVLPFZ-UHFFFAOYSA-N 366.486 5.259 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 7093044 VNKMLIOFIZDWRT-ZJNRKIDTSA-N 359.347 5.230 0 40 FKAB CCc1cccc(C)c1NC(=O)CSCc1ccc(Cl)cc1Cl 7094287 QKRMLPXJWGQXRU-UHFFFAOYSA-N 368.329 5.736 0 40 FKAB CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1cccs1 8254765 KJJHTBILPUPCCU-QGZVFWFLSA-N 367.514 5.577 0 40 FKAB Cc1ccc(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 9199290 IIJVUJRDRNGAHS-UHFFFAOYSA-N 365.285 5.568 0 40 FKAB Cc1c(Cl)cccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11127524 SGXXDCKXWYKSOS-FQEVSTJZSA-N 370.905 5.028 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1occc1COc1ccccc1 11459187 PPPZITRUUWIECB-UHFFFAOYSA-N 369.420 5.778 0 40 FKAB COc1ccc(Cc2c(Cl)nc(SC)nc2Nc2ccccc2)cc1 15584376 UUTAKFBBQXENLP-UHFFFAOYSA-N 371.893 5.195 0 40 FKAB Cc1sc2nc(-c3ccc(Cl)cc3)[nH]c(=O)c2c1-c1ccc(F)cc1 20346536 GVFLSPUZPJFRQB-UHFFFAOYSA-N 370.836 5.420 0 40 FKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576364 NMQLVNRAVNYZDI-MRXNPFEDSA-N 370.468 5.246 0 40 FKAB COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1 25586420 HMZHNFLAEYLLKZ-FOMDFCNTSA-N 374.871 5.276 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)c(F)c1 28210449 VLJKZXSWSAZVJO-UHFFFAOYSA-N 359.759 5.663 0 40 FKAB Cc1ccc(CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 33500368 WCZJGUMIXBBUNJ-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccccc1 36182145 PPUONTXUQSSGNH-UHFFFAOYSA-N 371.465 5.053 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2C(C)C)s1 58330100 OKEPHJXMEMPKSF-UHFFFAOYSA-N 368.502 6.007 0 40 FKAB COc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCCCC2)cc1 61868578 GWMNVJGQSPPNSJ-UHFFFAOYSA-N 373.500 5.042 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 216377355 IZPKJDNSFAHLBT-LJQANCHMSA-N 373.496 5.483 0 40 FKAB Brc1cccc(-c2cc3cc(Br)ccc3o2)c1 216944660 OJJWKXSOTAVUCQ-UHFFFAOYSA-N 352.025 5.625 0 40 FKAB CCOc1ccc(C(=O)NCCC(C)C)cc1CSc1ccc(C)cc1 224667139 BSHAZCDUTRUWQO-UHFFFAOYSA-N 371.546 5.462 0 40 FKAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3cccc4ccccc34)c2N)c1 225181813 VZCFVXMWMLYCPP-UHFFFAOYSA-N 367.374 5.602 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(F)cc2F)cc1 225499097 DKQXEXJTGYUEIK-GOSISDBHSA-N 364.461 5.047 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225541807 ZZHUWWWNIQVCKS-UHFFFAOYSA-N 365.517 6.015 0 40 FKAB Cc1cccc2cc(C(=O)Nc3ccccc3Sc3ccccc3)oc12 226044317 SZPMYLMUBLQSCS-UHFFFAOYSA-N 359.450 6.145 0 40 FKAB CC(C)Cc1nc(CC2CCCC2)c(C(=O)O)cc1-c1ccccc1F 257334972 YIBNIXAWUTULEI-UHFFFAOYSA-N 355.453 5.517 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408623332 SMDLZCMNAIVNKC-UHFFFAOYSA-N 357.812 5.862 0 40 FKAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c(C)c1 408719085 CKLMOWLOPDXCPI-LICLKQGHSA-N 372.877 5.063 0 40 FKAB Cc1cc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)ccc1Br 678246 GSQFYGCVNJHNFV-UHFFFAOYSA-N 373.250 5.160 0 40 FKAB COc1ccc2ccc3c(c2c1)N=C[C@@]1(O3)N(C)c2ccccc2C1(C)C 825621 GPNTUDAYHULMHB-QHCPKHFHSA-N 358.441 5.067 0 40 FKAB aggregator COc1ccc(CCNc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1083208 MMIIVLDLZDBGHU-UHFFFAOYSA-N 374.893 5.135 0 40 FKAB O=C(C[C@H](C(=O)O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 1397588 RVDBAESUSIZMQG-LBPRGKRZSA-N 357.620 5.088 0 40 FKAB CCCCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 1777636 MQQQOJNZGODSPE-HNNXBMFYSA-N 361.869 5.233 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1C)CO3 2123875 TXBOBZRHCQUNAM-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic COc1ccc(NC(=O)C[C@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 2223704 LBOKGQJVZUJMEY-NRFANRHFSA-N 355.478 5.251 0 40 FKAB CCc1cccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)c1 2255454 RAABEVQTJPJSIN-UHFFFAOYSA-N 364.452 5.507 0 40 FKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 2465520 KTTNDFBJUZZYFH-FOIQADDNSA-N 358.869 5.036 0 40 FKAB CC(C)(C)C(=O)N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 3103708 NSXPYEPMMBWCEO-AWEZNQCLSA-N 373.711 5.110 0 40 FKAB O=C(OCc1c(Cl)cccc1Cl)c1cccc(Br)c1 3346745 CMWLFFLEZJOGEW-UHFFFAOYSA-N 360.034 5.113 0 40 FKAB Fc1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 3392688 MARITGPGALIBRZ-UHFFFAOYSA-N 365.433 5.018 0 40 FKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccc(F)cc1 3655380 QDUUJDVJEUOTKE-UHFFFAOYSA-N 359.356 5.055 0 40 FKAB CCOC(=O)c1c(NC(C)=O)sc2c1CCCCCCCCCC2 3773533 PTHABVYDESHKSK-UHFFFAOYSA-N 351.512 5.103 0 40 FKAB CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849607 MJCAQBZKCWIVPS-PXJJFVDNSA-N 374.565 5.353 0 40 FKAB C[C@@H]1C[C@@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)c2ccccc2N1 4046261 JYTDIBJBHJOQQD-ZCGNXWCTSA-N 368.480 5.678 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(F)cc2)N3)C1 4553425 YGYFJTRIWUSPDH-SCLBCKFNSA-N 372.509 5.857 0 40 FKAB Cc1cc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2cc1Cl 5447259 ALOVABNBUKGZDJ-UHFFFAOYSA-N 360.910 5.413 0 40 FKAB CCOc1ccc(Oc2nc3ccccc3nc2Cc2ccccc2)cc1 5653323 VTEURQYVPXGGCE-UHFFFAOYSA-N 356.425 5.412 0 40 FKAB CCc1ccc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)cc1 6214714 GXYYCWKWPUKPIK-UHFFFAOYSA-N 368.487 5.043 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 6563654 WEZNLBQEKWESKA-YMMAEMRBSA-N 372.637 6.999 0 40 FKAB O=C(c1ccccc1Br)N(Cc1ccccc1)c1ccccc1 6947607 NYMWERVPUKCCEP-UHFFFAOYSA-N 366.258 5.296 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCCC2)cc1 7504980 PKLSIKHULCYPFF-UHFFFAOYSA-N 372.468 5.722 0 40 FKAB COc1ccc(CNCc2cccc(OCc3ccccc3Cl)c2)cc1 7538396 AKOSEIGFBCGGCW-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB Fc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1Cl 7539742 PMBOQSNHJMTKEK-UHFFFAOYSA-N 350.220 5.682 0 40 FKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccccn2)cs1 8744648 HAWABEXYEVINJZ-UHFFFAOYSA-N 369.515 5.132 0 40 FKAB CCOc1ccc(OCC)c(NC(=O)c2ccccc2-c2ccccc2)c1 9514243 SKSHBDGUUZDZIK-UHFFFAOYSA-N 361.441 5.403 0 40 FKAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 10009815 HOFGFDPPNTXKGK-UHFFFAOYSA-N 365.860 5.930 0 40 FKAB O=C(c1ccc(Cl)cc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12980505 OUWNTZVSINBTQR-GFCCVEGCSA-N 374.868 5.109 0 40 FKAB CC1=Nc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H](c2cccnc2)S1 15084849 OQLGALMDPKFIFB-QGZVFWFLSA-N 354.866 5.115 0 40 FKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNC(=O)C3CC3)[C@H]1CC2 15321417 MYJYYQOEZZKMCH-JRFVFWCSSA-N 353.550 5.347 0 40 FKAB Cc1cccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 15835500 BHIBHIBLTNXMDR-OAQYLSRUSA-N 360.482 5.399 0 40 FKAB COc1ccc(-c2cc(Nc3ccccc3C(F)(F)F)nc(C)n2)cc1 15859148 LSGRGVVGDPSTQM-UHFFFAOYSA-N 359.351 5.223 0 40 FKAB CCCCSc1ccc(NC(=O)c2cccc(Br)c2)cc1 16639442 IUIKKODFOAYZRY-UHFFFAOYSA-N 364.308 5.594 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 18238705 LVJIGEDAILIPQF-UHFFFAOYSA-N 372.424 5.150 0 40 FKAB CCOc1cccc(NCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 19738393 XQAJVEFJKNRQBG-UHFFFAOYSA-N 369.549 6.171 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 22073114 CWVSFZNZFNMWGX-UHFFFAOYSA-N 369.827 5.487 0 40 FKAB Cc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 27664018 RWKBIJFTKBZHCJ-UHFFFAOYSA-N 374.484 5.126 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 30754730 CSNCCCWBUVNJRW-INIZCTEOSA-N 371.786 5.463 0 40 FKAB CCCCOc1ccc(-c2cn3cc(Br)c(C)cc3n2)cc1 32501692 UOPVDUCGSPSBOT-UHFFFAOYSA-N 359.267 5.251 0 40 FKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1 49004998 RYZZBHVLDOJNPD-SFHVURJKSA-N 374.488 5.087 0 40 FKAB Cc1ccc(-c2nnc([C@H](C)Nc3c(C)nn(-c4ccccc4)c3C)o2)cc1 55471466 OPJQNANCCDNTQC-INIZCTEOSA-N 373.460 5.021 0 40 FKAB Cc1noc([C@@H](C)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)n1 56176532 BKRGIOWCPRCQBO-SECBINFHSA-N 365.220 5.045 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 59475312 JMKLNCSEBOZUPJ-XBXARRHUSA-N 354.664 5.019 0 40 FKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cccs1 72328540 OCITUOFZCGZIRS-UHFFFAOYSA-N 373.909 5.044 0 40 FKAB CCOc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)cc1Cl 95094976 PYGNYJVHFUSUPK-UHFFFAOYSA-N 359.636 5.437 0 40 FKAB CCCCN(CC)c1ncnc2c1c(C)cn2-c1c(C)cc(C)cc1C 98175545 WUZMKYMGGUQSBC-UHFFFAOYSA-N 350.510 5.281 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4C[C@@H]5CC[C@@H]4C5)cc3)sc2c1 102089890 UVHJYUXCTGXORP-QGPMSJSTSA-N 362.498 5.646 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(C)c(C)c1 219324942 GZGNNKZEYGSUBU-VQTJNVASSA-N 359.897 5.382 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 224336206 FZUYCXNJMDYVTF-UHFFFAOYSA-N 364.533 5.194 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1 225374216 QQXMLHLYZOIIQI-GOSISDBHSA-N 350.289 5.502 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccccc2Cl)cc1 225497134 VULCSTUBZMOFTM-GOSISDBHSA-N 362.926 5.422 0 40 FKAB Fc1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225606723 KJOPQHMIROTPKB-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc(F)c1 408561561 JRJFUXOCMQDQIE-LNVKXUELSA-N 368.477 5.042 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)c1C 409131359 JAKYNUGRPKLXMH-UHFFFAOYSA-N 361.441 5.193 0 40 FKAB O=C(Sc1nc2cc3ccccc3cc2[nH]1)c1cccc2ccccc12 409390927 GGPCUVBBAKRKLR-UHFFFAOYSA-N 354.434 5.802 0 40 FKAB CCCC[C@@H](CC)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362645 PXUSLQRNSLEIQQ-SNVBAGLBSA-N 367.205 5.747 0 40 FKAB CCCOc1ccccc1-c1ccc(C(=O)O)c(CCc2ccccc2)c1 585264345 BEUBSMPHOXORFD-UHFFFAOYSA-N 360.453 5.626 0 40 FKAB FC(F)c1cc(OCc2cc(C3CC3)no2)c2cc(Cl)ccc2n1 664034744 GCENDMOCVHSOHC-UHFFFAOYSA-N 350.752 5.270 0 40 FKAB COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)c1 661344 RLEUMRIBIFQPKB-UHFFFAOYSA-N 374.465 5.094 0 40 FKAB O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccc(Cl)cc1 714963 PKAQUCGJDWSTGF-UHFFFAOYSA-N 357.818 5.019 0 40 FKAB CCCN(CCC)C(=S)Oc1cccc(C(=O)Nc2ccc(C)cc2)c1 1051937 SRTHMQLRUOOFDS-UHFFFAOYSA-N 370.518 5.033 0 40 FKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc([C@@H](C)CC)cc2)c1 2053672 RTTBUKYPUYVZPT-HNNXBMFYSA-N 370.518 5.116 0 40 FKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1 2319830 CKQUMBAOPGPQER-UHFFFAOYSA-N 357.413 5.266 0 40 FKAB CC(C)Oc1ccc(CNCC[C@H](Cc2ccccc2)c2ccco2)cc1 2404660 LZFIVDDQWGXNNY-JOCHJYFZSA-N 363.501 5.573 0 40 FKAB CCN(CC)c1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1 2510881 MUVLYRTYPQEVER-UHFFFAOYSA-N 372.262 5.069 0 40 FKAB biogenic Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c(C)c1 2651446 RGMJTJLGBIIGPQ-UHFFFAOYSA-N 368.527 5.466 0 40 FKAB O=c1oc2ccc(Br)cc2cc1-c1cccc2ccccc12 3255499 UFKCDLAXNXONGD-UHFFFAOYSA-N 351.199 5.376 0 40 FKAB O=C(c1cn(CCOc2ccccc2F)c2ccccc12)C1CCCCC1 3655930 HEFWMFCOZSMDPU-UHFFFAOYSA-N 365.448 5.622 0 40 FKAB Cc1ccc(Nc2nc(Cl)c(C(F)(F)F)c(Cl)c2Cl)cc1 3771056 JUKYBKNGYDMFFC-UHFFFAOYSA-N 355.574 6.113 0 40 FKAB CC(C)c1ccc(O[P@@](C)(=O)Nc2ccc(Br)cc2)cc1 4066060 FQUNNMDZJASWOM-OAQYLSRUSA-N 368.211 5.886 0 40 FKAB CCCCCC1=NO[C@H](c2ccc([C@@H]3CC(CCCCC)=NO3)cc2)C1 4687209 RBNDAUCVIMURRL-VXKWHMMOSA-N 356.510 6.482 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 6629532 NZYSCCCJZDXBSC-XDHOZWIPSA-N 368.502 5.157 0 40 FKAB Cc1cc2sc(NC(=O)Cc3ccc(Cl)cc3)nc2cc1Cl 6922319 NUPVUEDEKPVBTR-UHFFFAOYSA-N 351.258 5.093 0 40 FKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3F)C2)cc1 9184089 WDCXOARFDCIPKS-LJQANCHMSA-N 351.450 5.255 0 40 FKAB CN(Cc1cccs1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 9502872 BVQAQGHQPXSZJM-UHFFFAOYSA-N 374.465 5.342 0 40 FKAB CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 12435641 KENKUCKZMAYQJU-LJQANCHMSA-N 370.880 5.067 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccccc1Cl 12855510 JQNMHASYUWYVMH-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB Cc1cccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)c1 13739166 TZNLMPIFTGGSAB-VZCXRCSSSA-N 352.528 5.986 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 33402513 WIYADWSQXZLNDU-AQTBWJFISA-N 369.449 5.094 0 40 FKAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 40032274 NWLCZWXDCKAOGW-KRWDZBQOSA-N 362.473 5.246 0 40 FKAB Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)c1 67341592 PHFKKJULIKJZAQ-UHFFFAOYSA-N 364.449 5.122 0 40 FKAB CN(C(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 216302124 IGNJYEBBLAZLBL-UHFFFAOYSA-N 363.482 5.134 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(C)cc1C 222559056 ULSLYVFKYYLRNE-WZONZLPQSA-N 365.517 5.217 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223384519 IWMCDGOAVKWZAN-XNTDXEJSSA-N 369.464 6.535 0 40 FKAB COc1ccc(/C=C(/C(=O)NC(C)(C)CC(C)(C)C)c2ccccc2)cc1 223427066 FOSDPGSZVIWZEQ-LTGZKZEYSA-N 365.517 5.567 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)NCCSC1CCCCC1 225349232 KFCGTRLXDFBVTI-UHFFFAOYSA-N 360.350 5.108 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c2ncccc12 225907774 IRTDCQMSRPZMPD-JOCHJYFZSA-N 372.509 5.338 0 40 FKAB COc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccc3ccccc23)cc1 945062 BABTUKLVYQJPRT-QHCPKHFHSA-N 369.420 5.190 0 40 FKAB Cc1cc2ncn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C 952995 CCNYJTGXWAMCCY-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1 1953248 OTYWAMXCTMSGMI-UHFFFAOYSA-N 365.454 5.153 0 40 FKAB O=C(Nc1ccc(Br)cc1)[C@H](c1ccccc1)C1CCCC1 2362419 GSZRAYNOEMGJBK-GOSISDBHSA-N 358.279 5.362 0 40 FKAB CCCCc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(C)c2oc1=O 2374144 HSXBFWXWIMTOKA-UHFFFAOYSA-N 370.876 5.985 0 40 FKAB c1ccc(Oc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1 3668096 SZASXVXOUYLDGP-UHFFFAOYSA-N 374.443 6.756 0 40 FKAB CC(C)(C)N1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1c1cccs1 4565099 YVDKOUKMNINLOI-OAQYLSRUSA-N 361.514 5.729 0 40 FKAB COc1cccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)c1 4678488 KCPSWTAMPXOXGI-UHFFFAOYSA-N 369.468 5.375 0 40 FKAB CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 5477566 KOYAKULITCTDGS-RMKNXTFCSA-N 355.894 5.424 0 40 FKAB Cc1ccc(COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 5894292 PKGYUWUOAQTHDC-UHFFFAOYSA-N 359.784 5.108 0 40 FKAB Cc1nc(-c2ccc(Br)cc2)sc1C(=O)Nc1ccccc1 6859861 HVZUBRIOOFOMHI-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc(C)c1C 8686006 HIIIFEYSGNFUPQ-UHFFFAOYSA-N 368.911 5.004 0 40 FKAB CC(C)c1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275971 MIWJKCKYENHBKP-GOSISDBHSA-N 351.534 5.918 0 40 FKAB CCOCCCNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12 10315558 VBFOPYZXKNTWIN-UHFFFAOYSA-N 370.924 5.168 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 10334145 AIGZTZSUYSCHCX-UHFFFAOYSA-N 360.295 5.318 0 40 FKAB Cc1ccc(F)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 11425842 SFEMRKCLABHSNU-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB Cc1c(C(=O)Nc2nc(-c3ccccc3)ns2)oc2ccc(Cl)cc12 11914925 QMHLJVFQTJUSSR-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc12 14258000 DWOWAXJRSXCSGU-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 15014111 KUFQWDILGREOAR-OAHLLOKOSA-N 358.677 5.425 0 40 FKAB Cc1noc2nc(C3CCN(C[C@H]4CC=CCC4)CC3)cc(C(F)F)c12 19564982 HGAWCELWXQTZNU-AWEZNQCLSA-N 361.436 5.005 0 40 FKAB COc1ccc2c(c1)[C@@H]([C@H](C(C)=O)C(=O)c1ccccc1)c1ccccc1O2 19880325 NJMXHEIVFQAPSR-GOTSBHOMSA-N 372.420 5.021 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 20458011 ZNMKKVFNFKQPQS-VQIMIIECSA-N 359.897 5.300 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237724 GLXBVBJIQREOIS-UHFFFAOYSA-N 371.893 5.434 0 40 FKAB O=C(c1ccccc1SCc1cccs1)N1CCc2ccccc21 22737576 UCYQJOVCTCJKPC-UHFFFAOYSA-N 351.496 5.243 0 40 FKAB O=C(NCCCCOc1ccccc1)c1sccc1-c1ccccc1 24222044 QVBHDQZNPOMPRA-UHFFFAOYSA-N 351.471 5.004 0 40 FKAB CC(C)(C)c1cc(-c2cn3c(n2)-c2ccccc2C3)cc(C(C)(C)C)c1O 26442290 ZHXXTSVBTWGDAR-UHFFFAOYSA-N 360.501 5.879 0 40 FKAB CC(=O)N1c2ccccc2N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(F)cc1 26894749 VQNWOJUKLHNGOI-XMMPIXPASA-N 372.443 5.753 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4)Oc4ccccc4[C@H]3C2)o1 36352201 IPOLBBALHMLDKO-NQIIRXRSSA-N 364.832 5.484 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc(C)c1Cl 40913287 KYQCRGKMRCEAAN-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CSc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44838332 PVDFOKWYMVOEHT-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB CCOc1ccc2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57353023 GCBRXXLUZRUZJR-UHFFFAOYSA-N 367.474 5.877 0 40 FKAB Clc1cc(-c2nc3cc(-n4cnnc4)ccc3o2)cc(Cl)c1Cl 70462185 MBSGBOOZYWMBCO-UHFFFAOYSA-N 365.607 5.036 0 40 FKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)cc1C 96037414 ZLRVFXMZJKIHQG-UHFFFAOYSA-N 371.484 5.412 0 40 FKAB Cc1ccc([C@H]2[C@H]3C(c4ccccc4)=NC=C[C@@H](c4ccccc4)N32)cc1 104145807 QGYCSPJHNUOMPZ-UWLCSTEFSA-N 350.465 5.478 0 40 FKAB C[C@@]12CC3CC(C(=O)Nc4nc5ccc(Cl)cc5s4)(C1)C[C@@](C)(C3)C2 104933594 NLPOOMAJTAGYNG-PHVGPVDVSA-N 374.937 5.885 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 216244154 NKTSPKSQSIFAEW-UHFFFAOYSA-N 370.496 5.509 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NC(c1ccccc1)c1ccccc1 222961666 QUBWTXSXMBZRJS-JOCHJYFZSA-N 373.496 5.367 0 40 FKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 222996077 WOQGEHYXPJIDMY-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 223106149 IEYSJIQCVDZVIY-WZONZLPQSA-N 365.517 5.217 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224434600 IPMZWUAENQQZTK-IBGZPJMESA-N 359.425 5.691 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccccc1 225505400 VJIJNAPBVQYRMT-IBGZPJMESA-N 368.452 5.349 0 40 FKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccccc1F 409119164 RPJRIMDWDWNMGP-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccc(F)cc2)c1 409133644 NQCSHXJRJZQYBG-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccccc1C[C@]1(C)CCc2ccc(-c3ccc(C(=O)O)cc3)cc2O1 585265815 QUIZIKQYDLINHE-VWLOTQADSA-N 372.464 5.687 0 40 FKAB CSc1ccc(-c2cc(C(=O)O)c3c(Cl)ccc(Cl)c3n2)cc1 1004355 JUURSYHVNBPEDH-UHFFFAOYSA-N 364.253 5.629 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cccnc1SCCC(F)=C(F)F 1402591 VLCPQRJIOYOWKP-UHFFFAOYSA-N 356.344 5.033 0 40 FKAB Clc1ccc(Nc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 2405671 XAIYNXRFWWGROQ-UHFFFAOYSA-N 371.827 6.440 0 40 FKAB Cc1ccc(-c2nc3ccccc3c(C(=O)NC3CCCCCC3)c2C)cc1 2739851 FPLRWYNQLGGMMJ-UHFFFAOYSA-N 372.512 5.971 0 40 FKAB O=c1oc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2c2c1CCC2 3245573 WUNLTBDVCIQYIO-UHFFFAOYSA-N 361.224 5.168 0 40 FKAB CCOc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)cc1 3418737 YKFAUKSRWBAICX-UHFFFAOYSA-N 359.856 6.621 0 40 FKAB CCCOc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)cc1 3584810 GAOPKNLSIMESJE-UHFFFAOYSA-N 362.473 6.240 0 40 FKAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCCc1ccccc1 4848486 CYZFTWOUZHLIRY-UHFFFAOYSA-N 363.848 5.015 0 40 FKAB c1ccc([C@H]2C[C@H](c3ccccc3)n3c4c(c5ccccc53)CCC[C@@H]42)cc1 4859655 FHODAKNLNSDHSR-DGWZTRNLSA-N 363.504 6.838 0 40 FKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1ccccc1 5345911 NNGBDRDQZWRZFQ-UHFFFAOYSA-N 363.463 5.242 0 40 FKAB Cc1cc(C)c2[nH]c3nc(SCc4ccc(Cl)cc4)nnc3c2c1 5488624 TUHBBWQBWGGQIV-UHFFFAOYSA-N 354.866 5.069 0 40 FKAB Cc1ccc(C2=Nc3ccccc3S[C@H](c3cccc4c3OCO4)C2)cc1 5890804 CUKKDPARJGAVIG-QFIPXVFZSA-N 373.477 6.082 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)CSCCC12CC3CC(CC(C3)C1)C2 6086933 BGPPFUIVJOVPMU-LXGFQCHUSA-N 369.574 5.304 0 40 FKAB CCCCC(=O)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 6263955 MTVGYZQDSPTYRG-HNNXBMFYSA-N 350.462 6.137 0 40 FKAB Cc1ccc(C(C)C)cc1OCCCN1CCCC[C@H]1c1cccnc1 6624404 ZRRHSIONALPLMM-QFIPXVFZSA-N 352.522 5.510 0 40 FKAB biogenic CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 6879189 TZPRDZVJDSDHAV-CPNJWEJPSA-N 367.470 5.020 0 40 FKAB O[C@H](CCNc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1 6896735 SGRUOMRRDCMEKH-RUZDIDTESA-N 369.464 6.168 0 40 FKAB CCN(CC)c1ccc(NC(=O)Nc2ccc(N(CC)CC)cc2)cc1 10011399 HYNKJCBRYRKDFW-UHFFFAOYSA-N 354.498 5.023 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(N[C@@H](C)c3ccccn3)c2c1C 12595914 RYOOKTRLUJMBTO-LBPRGKRZSA-N 366.515 5.605 0 40 FKAB CCOC(=O)c1cc(Nc2ccc(Cl)cc2)c2cc(Cl)ccc2n1 15829175 HHFILOJBSLVDMK-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 20459822 PJMMBSWVQRXGHX-SCLBCKFNSA-N 363.910 5.097 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 44880579 DMSNWFKZDVYZTA-UWJYYQICSA-N 353.506 5.327 0 40 FKAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 53944008 PUPQHNVTQGKINB-UHFFFAOYSA-N 372.399 5.070 0 40 FKAB O=C(NC1CCCCCC1)c1scc(-c2ccccc2)c1-n1cccc1 64872250 WDDSYJLTHCCTQR-UHFFFAOYSA-N 364.514 5.658 0 40 FKAB c1ccc(COc2ncccc2[C@H]2CCCCN2Cc2ccccc2)cc1 72212105 HVZCMDBSUNHBTP-HSZRJFAPSA-N 358.485 5.388 0 40 FKAB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cccnc1Cl 103926260 NCCIPSQNICBUTQ-UHFFFAOYSA-N 372.255 5.253 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@]34C)SCCS5)[C@@H]1CC[C@H]2O 118919307 AZGUMZVYIIAYNT-KWQGSUNZSA-N 366.636 5.566 0 40 FKAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 218930860 YHZMVHAJLTUGIC-QGZVFWFLSA-N 367.533 5.538 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219388129 DUWVKMAZLUGMHY-HNAYVOBHSA-N 361.938 5.705 0 40 FKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 225811455 AVYBOKBAJORDCR-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c2ccccc12 225833741 GWOUWIVKAQZEEG-GAJHUEQPSA-N 369.505 5.553 0 40 FKAB CCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@@H]1CCCCCCCCCC(=O)OCC 256089339 PEZIQWVKZYIKRH-DOIPELPJSA-N 368.558 5.566 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 408971491 GIRHVTYRQMLGSR-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 409096232 CVNUOQBNSBCULK-UHFFFAOYSA-N 361.873 5.619 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(NC(=O)C2(C)CCCCC2)cc1 1051531 SXBXCOHQBHXEBN-UHFFFAOYSA-N 350.462 5.156 0 40 FKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc(F)cc3)cc12 1463677 OGYWMHKOYZMUGD-UHFFFAOYSA-N 370.420 5.625 0 40 FKAB biogenic C[C@H]([C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C 1758865 IFPVPHDPCJQNOZ-NTKDMRAZSA-N 373.496 5.053 0 40 FKAB CSc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc1 2055699 SUKJNCASPBTQCP-UHFFFAOYSA-N 370.521 6.749 0 40 FKAB CCc1cc(=O)oc2cc(C)c3c(-c4ccc5ccccc5c4)coc3c12 2146105 GEWAGZCYUDSRFX-UHFFFAOYSA-N 354.405 6.230 0 40 FKAB biogenic Cc1ccc([C@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 2534529 DKEARUXPJORAQB-HSZRJFAPSA-N 358.481 6.239 0 40 FKAB Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c2ccccc2n1 2651545 CVJFVSOBWWHEAR-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB C1=C(c2ccc3ccccc3c2)SC=C(c2ccc3ccccc3c2)S1 3106148 GXNNRJWBMYKLMX-UHFFFAOYSA-N 368.526 7.770 0 40 FKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccccc2)cc(C(C)(C)C)c1 3215882 SFEXEMMQIXTFBJ-UHFFFAOYSA-N 367.489 5.077 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1sc2cc(F)ccc2c1Cl 3221692 YMXZMSXDVWQXKJ-UHFFFAOYSA-N 361.869 6.378 0 40 FKAB Cc1ccc(-c2nc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc3n2)cc1 4042617 GNIXFRMKQXXUEV-DFBJGRDBSA-N 371.528 6.010 0 40 FKAB CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1ccc(F)cc1 4679416 IZBXCUYZTAPXIA-UHFFFAOYSA-N 367.468 5.500 0 40 FKAB Cc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c(C)c1 4970898 LHJCRDSZUPBDBB-UHFFFAOYSA-N 360.482 5.620 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)s2)N3)C1 6202955 DCUPQXRIUAKNOU-YVEFUNNKSA-N 374.575 6.088 0 40 FKAB CCOc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OC 6630745 DEHWLMNFMXHQJY-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(N2CCCCC2)cc1 7950111 USZVYGJXTAJIBQ-UHFFFAOYSA-N 373.500 5.023 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 8040749 PJBKVJHYSFDXQN-NRFANRHFSA-N 373.496 5.300 0 40 FKAB O=C(CSc1ccccc1)Nc1ccc2nc(-c3ccccc3)oc2c1 8190235 YNSYCRFNPQAQMZ-UHFFFAOYSA-N 360.438 5.226 0 40 FKAB CCOCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8253123 IDFKTDIIIWNKRL-UHFFFAOYSA-N 367.464 5.074 0 40 FKAB c1csc(-c2c3c(nc4sc5c(c24)CCCC5)-c2ccccc2C3)c1 12631746 BBVFVKMOWPMNQA-UHFFFAOYSA-N 359.519 6.475 0 40 FKAB CCOc1ccccc1CCCNC(=O)CCc1ccc(C(C)(C)C)cc1 13670382 ZAFWBWRIGAKARZ-UHFFFAOYSA-N 367.533 5.064 0 40 FKAB CCCCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 13810335 AFYCZUBJYQHSNK-LNVKXUELSA-N 354.494 6.168 0 40 FKAB COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 14006255 KCLTWBLXBBYLMI-SECBINFHSA-N 374.651 5.061 0 40 FKAB CCCCC1CCC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 15832112 OFEPTFVPAPCIFG-UHFFFAOYSA-N 368.521 5.530 0 40 FKAB Cc1ccc2nc(-c3ccc(CNC(=O)/C=C/c4ccccc4)cc3)oc2c1 16348576 ZSGQXURWMUSKSM-GXDHUFHOSA-N 368.436 5.133 0 40 FKAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1 20025381 RXZDFQDYKKDGLR-SECBINFHSA-N 373.077 5.247 0 40 FKAB O=C(Nc1ccccc1-c1cccs1)[C@H]1Cc2cc(Cl)ccc2O1 24780302 VDAZCIIQOPUUDD-QGZVFWFLSA-N 355.846 5.011 0 40 FKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccccc1OC 59298041 ABCHBUQLRHRANY-UHFFFAOYSA-N 353.443 5.075 0 40 FKAB Cc1ccc(C2=NN[C@H](c3ccc(N(C)c4ccccc4)cc3)S2)cc1 59488131 HUBRGMWDDMBFCH-QFIPXVFZSA-N 359.498 5.460 0 40 FKAB CCN(CC)c1ccc(NC(=S)Nc2cccc(Cl)c2F)c(C)c1 71760629 FSWMMXVRLHVKIW-UHFFFAOYSA-N 365.905 5.443 0 40 FKAB Cc1cc(C)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 71761635 CGXAOMHLQDUYAB-UHFFFAOYSA-N 354.397 5.319 0 40 FKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72214557 FLDZYMYCWPJIKH-SFHVURJKSA-N 361.530 5.024 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc2ccccc2c1 222788777 MBWKSLSMFQNXQP-KRWDZBQOSA-N 355.437 5.077 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223140795 GGHHWGKTNFYHGA-NRFANRHFSA-N 355.909 5.419 0 40 FKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl 225511715 QJRPVWWHFNJUJW-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl 225541430 PSJQRTANVYZZFF-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2)c(C)c1 225767703 BAPAKMILPSDFTN-NRFANRHFSA-N 364.489 5.519 0 40 FKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248162204 HPZOHGFNBBOZSE-XPYWIHLFSA-N 371.571 5.386 0 40 FKAB CC(C)CCC[C@@]1(C)Oc2cc(CCC(=O)O)ccc2[C@@H]2OCCC[C@H]21 585265557 JHQVOSBPECFUCD-BVYCBKJFSA-N 360.494 5.149 0 40 FKAB CCCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc21 1713464 NSETTWBXUXKUOF-UHFFFAOYSA-N 366.457 5.502 0 40 FKAB biogenic,in-vitro Cc1sc2ncnc(SCc3ccc(Cl)c(Cl)c3)c2c1C 1895420 PWZFCAFOXHAFDW-UHFFFAOYSA-N 355.315 5.907 0 40 FKAB C[C@@H]1CCCC[C@H]1NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2 2073051 FTCPIVITLHZQEE-IIBYNOLFSA-N 370.496 5.309 0 40 FKAB Fc1ccccc1CSc1nc(NC2CCCCC2)c2ccccc2n1 2948724 OYZDNAQADKERDM-UHFFFAOYSA-N 367.493 5.806 0 40 FKAB O=C(c1cccs1)N(c1ccc(F)cc1)c1nc2ccccc2s1 3239396 LREJQXYQQOMGJC-UHFFFAOYSA-N 354.431 5.475 0 40 FKAB O=C(Nc1ccc(F)cc1)[C@H](N[C@H]1CCCc2ccccc21)c1ccccc1 3420591 GLJYVJAOPRIBRX-XZOQPEGZSA-N 374.459 5.173 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 3441130 XVRKXHMEJRFBCA-XMMPIXPASA-N 355.481 5.402 0 40 FKAB C[C@H](Sc1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 3503747 LESNEJUVXQSHHI-INIZCTEOSA-N 365.473 5.212 0 40 FKAB Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2)cc1 4502361 WFBIWNGODBKYAY-NRFANRHFSA-N 350.824 5.835 0 40 FKAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc2ccccc2c1 5083496 FUWNDBPFNQOLOS-UHFFFAOYSA-N 369.449 5.468 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccccc2)C1=O 5217092 SVDDGKGEGASOQK-CKLTXHEASA-N 362.513 5.931 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1Sc1ccccc1C(=O)O 5689556 KXEMHEXEXHXYKT-UHFFFAOYSA-N 371.461 6.060 0 40 FKAB CC(C)c1ccccc1NC(=O)Cn1ccc2cc(Br)ccc21 6347848 NWDILEZKAJAYEA-UHFFFAOYSA-N 371.278 5.166 0 40 FKAB Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1Cc1ccccc1 6532094 OJOZOZCIMIWZPX-UHFFFAOYSA-N 373.884 5.289 0 40 FKAB C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 6929393 XASCQNCJNITWTH-NSDYXAQKSA-N 367.464 5.420 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1sccc1-c1ccc(C)cc1 8060609 OJRYWDRAORPKBC-UHFFFAOYSA-N 357.862 5.638 0 40 FKAB COc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccccc1 8470337 QPXFOCZBAXFZEX-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB Cc1[nH]c2ccccc2c1-c1csc(-c2cccc(NC(=O)C3CC3)c2)n1 8943790 LRDZJZJXTWTAAD-UHFFFAOYSA-N 373.481 5.615 0 40 FKAB CCCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cccc(C)c3nc21 9242366 IIDWOIJJVXDUSO-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB Cc1ccc(C)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12931505 HJBQDFCXECJCIJ-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB O=C(Nc1ccc(F)cc1F)N1c2ccccc2Sc2ccccc21 13717173 YVYZYVKXXLRCPS-UHFFFAOYSA-N 354.381 5.800 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C)ccc1C 20106010 FENZDMNUOUKVRK-XMSQKQJNSA-N 361.485 5.491 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 20455029 BDLNKYCBFVURGJ-QRWLVFNGSA-N 357.469 5.158 0 40 FKAB Cc1ccc(-c2nc(CCNC(=O)c3cccc4ccccc34)cs2)cc1 27990472 IQOTVZVERYQFLD-UHFFFAOYSA-N 372.493 5.244 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(C)cc1 38783393 UWLIKCAVLAGWLH-CVDCTZTESA-N 364.533 5.108 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]2CCCC[C@@H]21 39538998 LWVLKIGDNMJMIH-QAPCUYQASA-N 372.896 5.109 0 40 FKAB Clc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1 39908201 IVMSOTJZPOCGIB-UHFFFAOYSA-N 362.860 5.826 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(Br)cc1 44781697 MUTPLMXDEQABNR-UHFFFAOYSA-N 365.230 5.336 0 40 FKAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 49544240 NLNHTMFMRJOFMN-UHFFFAOYSA-N 364.474 5.010 0 40 FKAB CC(C)c1ncc(CN[C@H]2[C@H](c3ccc(Cl)cc3)[C@@H]3CCCC[C@H]32)cn1 57774221 FWWIJUZGOPAXGF-XRXFAXGQSA-N 369.940 5.315 0 40 FKAB C[C@H](Nc1nc(C2CC2)nc2sc3c(c12)CCCC3)c1ccccn1 58157939 VQMUXGFZYDMIOB-LBPRGKRZSA-N 350.491 5.016 0 40 FKAB Clc1ccc(-c2cc(Nc3ccccc3Cl)nc3ccccc23)cc1 58324545 LPXVPBIOPDNCFZ-UHFFFAOYSA-N 365.263 6.952 0 40 FKAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(F)c1)C1CC1 58700902 RRVVPDSEYRQHAJ-GFCCVEGCSA-N 351.343 5.210 0 40 FKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccccc1Cl 59055606 MDFKGFCMPGSSIP-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 80340346 NTXPUARAYUCIKF-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB COc1cc2c(cc1N[P@@](C)(=O)Oc1ccccc1)oc1ccccc12 100310403 NISTZNWLDBAGLW-SANMLTNESA-N 367.341 5.908 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1C 224893054 WZVCLNNYLVWNAV-UHFFFAOYSA-N 368.436 5.878 0 40 FKAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 225064387 RFOLGZFUAPGCTD-UHFFFAOYSA-N 373.477 5.332 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 408586571 NZCPSQXXSXTZKO-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F 408587675 SZRMLWXRBNBJFS-UHFFFAOYSA-N 371.786 5.790 0 40 FKAB O=C1N(c2cccc3ccccc23)[C@@H](c2ccc(Cl)cc2)N2CCCN12 636274 HQWTXOOWPXMPNR-FQEVSTJZSA-N 363.848 5.055 0 40 FKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 706349 UCLSRUFXHQSWMM-XFYPZNOGSA-N 373.883 5.822 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(Br)c1 830127 PMPLUDGTZNXSRC-UHFFFAOYSA-N 364.242 5.273 0 40 FKAB CCOc1ccc(N(Cc2cccc3ccccc23)C(=O)c2ccco2)cc1 853539 KYGXVKGBCGKWNM-UHFFFAOYSA-N 371.436 5.679 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(F)cc1 953650 DKPZONPIKTWACY-UHFFFAOYSA-N 358.800 5.256 0 40 FKAB CC1=C(c2ccc(Cl)cc2)N2C=C(c3ccc(Cl)cc3)NN=C2S1 2270762 JPVLTVVRTVYKKC-UHFFFAOYSA-N 374.296 5.604 0 40 FKAB CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2376055 RQPHZOTYJIMELT-UHFFFAOYSA-N 352.437 5.717 0 40 FKAB Cc1ccc(Nc2ncnc3c2oc2ccc(Br)cc23)cc1 2413204 VCZGMHSGLAIEGX-UHFFFAOYSA-N 354.207 5.191 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1(c2ccccc2)CCCC1 2512635 VNRZNKXBZKEYPR-UHFFFAOYSA-N 367.798 5.809 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2cccs2)cc1 3209116 HJIVYVHNZRCXAZ-CCEZHUSRSA-N 362.498 5.947 0 40 FKAB Clc1ccc2oc(SCc3csc(-c4ccccc4)n3)nc2c1 3293357 BGIUPSXGKUINAI-UHFFFAOYSA-N 358.875 5.897 0 40 FKAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC[C@@H](C)O 4411075 JKWSRVTYVAMDSV-UXHICEINSA-N 358.563 5.143 0 40 FKAB Nc1nc(Nc2cccc(F)c2)sc1C(=O)C12CC3CC(CC(C3)C1)C2 4652879 KMUHDXYJYSROFV-UHFFFAOYSA-N 371.481 5.007 0 40 FKAB CCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 4748746 DRZSEQXYUCDPEC-HSZRJFAPSA-N 372.512 5.783 0 40 FKAB COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3c2c1 4970052 MABLQFGOKJYGEQ-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB C/C=C/C(=O)N(c1ccc(N(C(=O)/C=C/C)[C@H](C)CC)cc1)[C@@H](C)CC 5599002 VCKUTQXWHQGXHO-KOKUPGQCSA-N 356.510 5.102 0 40 FKAB CC(=O)[C@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 5835144 HVHYRVHDTSSVNF-HOJFQYKESA-N 368.561 5.462 0 40 FKAB biogenic Brc1cccc(Oc2ncnc3sc4c(c23)CCCC4)c1 6077225 WWNXRLNXGQIUNV-UHFFFAOYSA-N 361.264 5.125 0 40 FKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2O)cc1OC 6160552 PFXFIXWKGKIAIV-UHFFFAOYSA-N 372.424 5.139 0 40 FKAB CCCCCCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6397168 MDQIIWAEZIBYRQ-UHFFFAOYSA-N 355.522 5.344 0 40 FKAB Fc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1 7847864 WSOZFQIAEQJHDP-UHFFFAOYSA-N 351.783 6.500 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 8480639 NAUXMOJSWPEGCA-NSHDSACASA-N 372.679 5.670 0 40 FKAB CCc1ccccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 8762335 DRIKOPPCWJGIDQ-UHFFFAOYSA-N 354.837 5.129 0 40 FKAB CCc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1 13637427 KWNDCCKPILSUBP-UHFFFAOYSA-N 350.425 5.174 0 40 FKAB Cc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(Br)c1 15737781 DDGQFHXBGHCOEO-UHFFFAOYSA-N 357.251 5.108 0 40 FKAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(-c2ccccc2)cc1 17191935 PATJRDZUKUWKDR-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB FC(F)(F)c1cnc(Oc2ccc(Br)cc2)c(Cl)c1 20000521 JVLNKBIQPHQECZ-UHFFFAOYSA-N 352.537 5.309 0 40 FKAB Cc1nc(-c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)o2)cs1 23866227 QIGFEYLXICBJJU-UHFFFAOYSA-N 373.787 5.391 0 40 FKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(-c2ccccc2)cc1 32998152 COZITFDEJFZXAS-UHFFFAOYSA-N 367.880 5.420 0 40 FKAB O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)C1CCCCC1 35167461 DRQPPJDUZHDNPS-UHFFFAOYSA-N 367.927 5.003 0 40 FKAB O=C(Nc1cccc(Br)c1)c1cc2cc(Cl)ccc2o1 41311355 FRQIINSONLANQH-UHFFFAOYSA-N 350.599 5.101 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 78458580 ISJKKGSXKLGPCF-GAJHUEQPSA-N 361.485 5.437 0 40 FKAB COC(=O)c1ccc(/C=C/c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1 98091788 VUBXKPSOTWITNF-VQHVLOKHSA-N 363.501 5.696 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccccc1 169300622 MHYNSJVWRVYYJJ-FMWKFLBASA-N 372.512 5.540 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 219065131 HDRNQKPNSWGGMK-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)cc(Cl)c1 222946366 SMMFYOYXOLFXOZ-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCCC2 223014485 NJWQXWKHNSSJHX-ARKBFRDHSA-N 353.893 5.500 0 40 FKAB C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc2c(c1)CCC2 223208425 UYIZJHUWSQORCZ-IBGZPJMESA-N 369.508 5.452 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(F)cc2)on1 224066781 NZXCUXUXNRQVLQ-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(C)cccc1C(C)C 224618731 UAMROGNFYZALBF-JOCHJYFZSA-N 365.517 5.793 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(Cl)cc1Cl 225379953 HOTCBSTWDOVNDC-UHFFFAOYSA-N 356.680 5.238 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(C)c(C)c1 225837484 XRBQUYZJCNYYCG-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB Fc1ccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 226307786 XWGJYUDNUAJOKZ-UHFFFAOYSA-N 355.845 5.092 0 40 FKAB CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 248231348 KYBFXPNLJQXJLP-XYBCAPHZSA-N 374.528 5.511 0 40 FKAB COc1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 408585103 ACBLHCDILYOKAR-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CCc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(C)cc1 869184 QRJVELDMZISQMF-UHFFFAOYSA-N 363.438 5.160 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)/C(Br)=C/c1ccccc1 956749 SAGZBAKVFQZKEV-UVTDQMKNSA-N 350.643 5.023 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1c2ccccc2Oc2ccccc21 996401 YDKPENZWKVCBLD-UHFFFAOYSA-N 370.235 5.870 0 40 FKAB Cc1cccc(NCN2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)c1 2186463 XHWMUSQCKJMMHG-UNOMPAQXSA-N 366.486 5.224 0 40 FKAB Cc1cc(C)c2c(c1)C(C)(C)[C@]1(C=Nc3c(ccc4ccccc34)O1)N2C 2270727 QVBSPNHPYWJRTN-XMMPIXPASA-N 356.469 5.675 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3s2)cc1OCc1ccccc1 4863695 MXTPOJSAFMVCKX-WYMLVPIESA-N 373.477 6.054 0 40 FKAB Cc1ccc(-n2c(/C=C/c3ccccc3C)nc3ccccc3c2=O)cc1 4898625 ASAUINBVGITWEB-DTQAZKPQSA-N 352.437 5.173 0 40 FKAB Cc1c(OCc2cccc3ccccc23)ccc2c3c(c(=O)oc12)CCCC3 5235491 OQDMFQZHVWIQDH-UHFFFAOYSA-N 370.448 5.712 0 40 FKAB Cc1nnc(SCCC23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 6559409 CCBOIRYYQOIPGQ-UHFFFAOYSA-N 367.562 5.333 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)oc12 8960611 CJIQDERRANPPQN-UHFFFAOYSA-N 359.381 5.486 0 40 FKAB C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2S1 12864012 IYYIQUFAIDCHPQ-LBPRGKRZSA-N 351.393 5.237 0 40 FKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3C[C@@H](c4ccccc4)NN32)cc1 19171703 NNUWRAGPZLVXPM-FIXSFTCYSA-N 372.468 5.169 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30751905 FVEXLUARTLEFAG-KXBFYZLASA-N 373.924 5.672 0 40 FKAB O=C(Nc1ccncc1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32508822 FQPGVKKWIDFPBM-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)c1 33777975 RGARWTGHLDMRCB-JRFVFWCSSA-N 369.464 5.473 0 40 FKAB CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccoc1 40146396 JYDSVMSNBLPUNM-FQEVSTJZSA-N 355.384 5.352 0 40 FKAB CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)(F)F)cc1 44087976 CZEGBRXNUAZKTE-UHFFFAOYSA-N 364.392 5.468 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)C2CCCCC2)c1 57945279 JDFPGVIZUFLQPE-JOCHJYFZSA-N 350.506 5.248 0 40 FKAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cccc(C(F)(F)F)c2)S1 71286113 YTJQKERVLLACBR-ZDUSSCGKSA-N 355.385 5.075 0 40 FKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccncc1Cl 72939606 ILEYHJHXSBALPW-HXUWFJFHSA-N 362.816 5.001 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3nc(-c4ccc(C)cc4)oc3c2)cc1 80340350 LNCBLCXDYQOVTC-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB CC(C)Oc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222688083 NGPMLSMXCUIBME-UHFFFAOYSA-N 363.910 5.638 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222978316 ZKBPSCMKIKWNAW-YCRPNKLZSA-N 371.908 5.254 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224976932 DSEHRMBEIUAMQM-JOCHJYFZSA-N 366.505 5.035 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ccccc12 225841513 SSRYHDZBOYSNLY-QFIPXVFZSA-N 357.494 5.408 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 226284685 ADLDOTUXVPOHPV-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB CCCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OCC 409136394 UHCFWXPSRIDPGO-UHFFFAOYSA-N 368.304 6.101 0 40 FKAB Fc1ccccc1OCc1nnc(SCc2cccc3ccccc23)o1 409385516 MTBZDHWBWTVPMP-UHFFFAOYSA-N 366.417 5.233 0 40 FKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2cccc(C(=O)O)c2)n1 409386802 XXCVDYXNSCQIDN-UHFFFAOYSA-N 370.861 5.096 0 40 FKAB CCC(CC)N(C(=O)c1ccc(C(F)F)nc1)[C@H]1CCCc2cccnc21 585090799 KITXXKUMLILHFE-SFHVURJKSA-N 373.447 5.123 0 40 FKAB Cc1cc2nnc(SCc3ccc(Cl)cc3Cl)n2c2ccccc12 1924360 IOEKKWVIRRNQEQ-UHFFFAOYSA-N 374.296 5.790 0 40 FKAB CC(C)Oc1ccc([C@H](CCNC(=O)c2ccccc2)c2ccccc2)cc1 2325512 XWPUOPUHOPAYDS-XMMPIXPASA-N 373.496 5.426 0 40 FKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCCOc1ccccc1 2478139 LUBJCINYAAPAPQ-UHFFFAOYSA-N 361.363 5.164 0 40 FKAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)Nc1cccc2ccccc12 3112382 XHUNPNLFUQOTAL-WUKNDPDISA-N 365.432 6.284 0 40 FKAB biogenic Cc1cccc(Nc2nnc(SCC(=O)c3ccc(F)cc3)s2)c1C 3318912 VGFYQVXHDROOOZ-UHFFFAOYSA-N 373.478 5.013 0 40 FKAB Cc1ccccc1OC(=O)c1ccccc1OCc1ccccc1Cl 3341294 YAMGWQPOXHYSIJ-UHFFFAOYSA-N 352.817 5.447 0 40 FKAB Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(Nc3ccccc3C)n2c1 3911572 VSAVIURYHOYODY-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2nnc(-c3c(C)c(C)cc(C)c3C)s2)c1 4070415 DAIBRVCVGIWREX-UHFFFAOYSA-N 365.502 5.308 0 40 FKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4361180 ILSQVBUIQAZJJU-NZQKXSOJSA-N 374.509 6.114 0 40 FKAB Cc1ccc(OC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 4519698 AUFQNBLQZIDERC-UHFFFAOYSA-N 353.421 5.738 0 40 FKAB CCCCSc1ccc2nc(-c3ccc(Br)cc3)cn2c1 4649884 ITLQEKHPNXVBFJ-UHFFFAOYSA-N 361.308 5.656 0 40 FKAB C[C@@H](NCC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4898469 KXPJSSIVKJYOLN-HLAWJBBLSA-N 371.590 5.853 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 6078795 QGHIZHYPYVOTBA-UHFFFAOYSA-N 372.251 5.967 0 40 FKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)cc1 6672680 MULZTEHDOXJVOG-UHFFFAOYSA-N 373.408 5.221 0 40 FKAB biogenic COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 7538287 RGRILDJVWROLHY-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB CC[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(C)cc1 8162329 FSBODODCROYYRQ-SFHVURJKSA-N 357.544 5.355 0 40 FKAB Sc1nncc(SCc2ccccc2)c1SCc1ccccc1 8615933 AXTRLGYCCYUMOQ-UHFFFAOYSA-N 356.541 5.350 0 40 FKAB CCCCc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12556410 VYEQULQJGGLGEK-UHFFFAOYSA-N 351.475 5.130 0 40 FKAB Cc1cccc(NC(=O)[C@@H](C)SCc2csc(-c3ccsc3)n2)c1 12861735 ACEDEGLBEFLZHI-CYBMUJFWSA-N 374.556 5.440 0 40 FKAB CC(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 13895421 CYEPQGVXLXBRKU-ILBGXUMGSA-N 368.480 5.879 0 40 FKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4)ccc3c2C)cc1 15729336 CUXLLEHZTAIENK-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB biogenic O=C(CSCc1ccccc1Cl)NCc1ccc(Cl)cc1Cl 20238001 NTADZISQTWIVTO-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB Cc1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1Cl 35121108 SNPLLUIUFZYRFE-UHFFFAOYSA-N 357.610 5.194 0 40 FKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3C[C@H](c4ccccc4)NN32)cc1 36286714 NNUWRAGPZLVXPM-GPXNEJASSA-N 372.468 5.169 0 40 FKAB CCCCCOc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C 95915483 KGPHMVAJXUXTDW-UHFFFAOYSA-N 355.360 6.613 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C 223454026 LYMWUVBKFUTTPX-RBUKOAKNSA-N 361.485 5.410 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc4c(c3)CCCC4)ccc21 225631292 AMYGNMBBCJEIPX-UHFFFAOYSA-N 368.480 5.946 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 225680768 YAIFQRIMYZZWOR-UHFFFAOYSA-N 359.469 5.607 0 40 FKAB CC(C)CN1C(=O)N(c2ccccc2F)[C@@H]2[C@H](c3ccc(F)cc3)CC[C@@H]21 257241800 HZPZQROUQDGIRF-DZFGPLHGSA-N 370.443 5.178 0 40 FKAB CCc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 409121344 ZDGMPEFCTKJSFI-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1 828361 MUVUKLRYQJFDKC-XMSQKQJNSA-N 356.469 5.587 0 40 FKAB CCc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)nc2c1 843727 UHEFTSAZVROTOA-PKNBQFBNSA-N 358.397 5.302 0 40 FKAB Cc1[nH]c2ccc(-c3nnc(SCc4ccc(F)cc4)o3)cc2c1C 1223283 SRXFJYKGDMZVTL-UHFFFAOYSA-N 353.422 5.266 0 40 FKAB Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1 1370150 BTUHIRZCYMKQSQ-NHCUHLMSSA-N 369.553 5.143 0 40 FKAB O=C1O[C@H](Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc21 2197650 ZVYQZUUOZHKEBN-IBGZPJMESA-N 358.422 5.244 0 40 FKAB c1ccc([C@@H]2C3=C(CCCC3)N3c4ccccc4N[C@]34CCCC[C@@H]24)cc1 2278703 NMMJJAVXQBYOHO-BUUDZMLXSA-N 356.513 6.431 0 40 FKAB CC(C)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 2303596 RJUJQSRQYKNNCE-HSZRJFAPSA-N 357.497 5.722 0 40 FKAB O=C(C[C@@H](c1ccccc1)C1CCCCC1)c1ccc(Br)cc1 3149516 NAPOIRHBQZSGTF-FQEVSTJZSA-N 371.318 6.386 0 40 FKAB Cc1cccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 3205494 VLPFVHKYHNDOCJ-UHFFFAOYSA-N 373.392 6.712 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1 4134650 SJORNFPXCFTPNT-SDNWHVSQSA-N 374.827 5.800 0 40 FKAB CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 4553362 FHDHIMQERDQDHW-JLHYYAGUSA-N 350.462 5.056 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002068 NRYBVJSHFLGIJF-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cccc(Cl)c2)o1 5142888 MADGIGQIDCSCEG-UHFFFAOYSA-N 355.865 5.299 0 40 FKAB aggregator Clc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5458879 JJSDXACYAZGSPD-CTNGQTDRSA-N 359.860 5.836 0 40 FKAB CC(C)(C)c1cc(C2=NO[C@H](c3ccccc3)C2)cc(C(C)(C)C)c1O 5477668 NUWRJLYOUCYJJM-FQEVSTJZSA-N 351.490 5.853 0 40 FKAB Cc1ccc(-c2cc(-c3cccs3)nc3sc4c(c23)CCCC4)cc1 5691658 DXNPKPBKMYKHBU-UHFFFAOYSA-N 361.535 6.879 0 40 FKAB CCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 5977970 FHJVMHGEWNXCIG-VGOFRKELSA-N 364.489 5.096 0 40 FKAB Cc1cc2ncn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2cc1C 6477900 BGGIWVVZGBURHW-GFCCVEGCSA-N 363.244 5.068 0 40 FKAB Cc1ccccc1-n1c(=S)[nH]c2scc(-c3ccccc3)c2c1=O 6537223 NHZUDTZGTFXJJB-UHFFFAOYSA-N 350.468 5.085 0 40 FKAB CCCOc1ccccc1C(=O)N(Cc1ccc(C)cc1)Cc1ccco1 6810694 LBGUSDZNVQWLFS-UHFFFAOYSA-N 363.457 5.219 0 40 FKAB Cc1occc1-c1nnc(SCc2ccc(-c3ccccc3)cc2)n1C 7236729 XKBAJUVSVPAXBW-UHFFFAOYSA-N 361.470 5.343 0 40 FKAB CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2cc(Cl)ccc21 8393048 AZAZUOASIPVZLR-ZDUSSCGKSA-N 373.909 5.219 0 40 FKAB Cc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCC3)cc1 13496549 FMBDYNRHHIRQMD-UHFFFAOYSA-N 357.449 5.001 0 40 FKAB CC(C)Oc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)cc1 13569007 ABVURCBWTCHWIU-UHFFFAOYSA-N 364.464 5.210 0 40 FKAB CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 13582368 CKAIOPHAHOMWJM-UHFFFAOYSA-N 359.469 5.236 0 40 FKAB Cc1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1Cl 14118742 DWRXBZCIKQFNLT-UHFFFAOYSA-N 356.878 5.723 0 40 FKAB O=C(Nc1ccccc1SC(F)F)c1cc(F)c(Cl)cc1Cl 14635352 RCVMTVSKNTYSRT-UHFFFAOYSA-N 366.191 5.700 0 40 FKAB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@H]4C)C(C=O)=CC[C@H]3[C@@H]12 14827603 XAYQASOMEVLRKN-MEMDWEKVSA-N 368.561 5.772 0 40 FKAB biogenic CCCOc1cccc(C(=O)Nc2ccc(OCCC)c3ncccc23)c1 15841003 FEJTWPBEVJWZLO-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(Cl)c3)o2)cc1 15867352 HJFABHVCVXLFSJ-UHFFFAOYSA-N 355.821 5.180 0 40 FKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccc1 17309596 AKFDYGKIIDNHIF-SFHVURJKSA-N 373.525 5.511 0 40 FKAB Clc1ccc(CNc2ccccc2OCc2ccccc2)c(Cl)c1 19738495 WAEXTEMTHLQXMG-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC[C@H](C)Oc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1 19738614 RNCOUJHRLPXTMN-HTAPYJJXSA-N 355.478 5.034 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 38755662 QZHJLHIBSZONJQ-OAQYLSRUSA-N 373.496 5.300 0 40 FKAB CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297338 YEWWBMNCUITEJB-LCUIJRPUSA-N 368.436 5.480 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 78458623 LVTHAMOQEJCXPZ-FOIQADDNSA-N 359.897 5.246 0 40 FKAB C[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc2S1 88222759 SBWYYQXPFTVXQH-NSHDSACASA-N 358.513 5.013 0 40 FKAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(O)CSCc1cccc(Oc2ccccc2)c1 100098075 CULVDJPYQHYKQJ-YDHSSHFGSA-N 368.542 5.899 0 40 FKAB CC(C)c1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 101641584 RTKMPIIWCZNOJE-SFHVURJKSA-N 368.843 5.250 0 40 FKAB Fc1ccc(Br)cc1N(Cc1ccccc1)Cc1ccccc1 117491668 JALLBZDSTHJEEU-UHFFFAOYSA-N 370.265 5.795 0 40 FKAB CC(C)C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 216297008 XHSWXAYEMLMWQI-SINXNMPMSA-N 362.300 5.910 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)c1 218986067 GATGAHPMSFZZLW-LJQANCHMSA-N 359.469 5.373 0 40 FKAB CC(C)c1ccc(CCCNC(=O)CCSCc2ccccc2)cc1 219000997 OOMFHVWWLQKKEU-UHFFFAOYSA-N 355.547 5.182 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222603922 PHYMRYDGXBGYIW-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(C(C)(C)C)cc1 224177938 NBVRYFLHIOMPBX-UHFFFAOYSA-N 369.505 5.100 0 40 FKAB CC1(C)COc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC1 225360084 GQLSDRIKVVXSQL-UHFFFAOYSA-N 366.244 5.043 0 40 FKAB Fc1ccc(NC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 225458417 UBIDSZBIBLBREP-UHFFFAOYSA-N 372.852 6.080 0 40 FKAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCCCCC1 225806960 KJCKUIRNOHLRLS-UHFFFAOYSA-N 369.505 5.553 0 40 FKAB Fc1cccc(F)c1NC(=S)NC1(c2ccccc2Cl)CCCC1 225860159 JZMOJWBFCAAEPP-UHFFFAOYSA-N 366.864 5.374 0 40 FKAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1[C@H](C)CCC[C@H]1C 226330338 MTMVFYNXDLGWKK-HUUCEWRRSA-N 371.912 5.250 0 40 FKAB c1ccc(CCCN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 257310956 UHIHBRNINWYUGD-UHFFFAOYSA-N 372.516 5.032 0 40 FKAB CCCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 409323438 NWZMISXKBKKMCA-NBVRZTHBSA-N 353.443 5.106 0 40 FKAB Cc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1CCCC2 667948 YOKMMXQHNSVPLW-UHFFFAOYSA-N 360.486 5.039 0 40 FKAB CC(C)c1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 756773 CYWSWZDZLVWBSX-UHFFFAOYSA-N 363.852 5.336 0 40 FKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(F)c1 841480 FBRRKEUPBYWHSQ-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(OCc2ccccc2)c1 851911 NHTXMWHAWPAWKA-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB c1ccc(-n2c(SCC3CCCCC3)nnc2-c2ccncc2)cc1 862972 PNIIVFVKXWOXPU-UHFFFAOYSA-N 350.491 5.002 0 40 FKAB COc1ccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)c(OC)c1 1463028 MUJLFRMGNBLSLZ-HSZRJFAPSA-N 373.456 5.090 0 40 FKAB Clc1ccc(-c2ccc(Cc3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 2075013 IXYFHPBMPVCTKJ-UHFFFAOYSA-N 369.247 7.104 0 40 FKAB Cc1nc(Oc2ccc(C(C)(C)C)cc2)c2c3c(sc2n1)CCCC3 2087808 KURSHNSOCZGRGN-UHFFFAOYSA-N 352.503 5.968 0 40 FKAB CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 2303595 RJUJQSRQYKNNCE-QHCPKHFHSA-N 357.497 5.722 0 40 FKAB CCC(=O)c1sc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N 2405490 NCUYCYAXNZKFCX-UHFFFAOYSA-N 364.495 5.867 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 2517203 GPNIWYXQZPZEDW-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)o1 2736679 QEOIQXJIJYRQTH-UHFFFAOYSA-N 358.191 5.087 0 40 FKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F 3094497 MCNRDQRKUQTISY-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1(F)F 3179082 BIWRWMNDNGIRRV-CYBMUJFWSA-N 361.697 5.082 0 40 FKAB Cc1ccc(C)c(OCCn2cc(C(=O)c3ccccc3)c3ccccc32)c1 3648865 OVCRLTNPHZMOSZ-UHFFFAOYSA-N 369.464 5.568 0 40 FKAB CCCc1nc(SCc2c(Cl)cccc2Cl)n(C)c1CCC 4024026 DKMGKHDIFWOFHH-UHFFFAOYSA-N 357.350 5.924 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 4517383 KXOXYYMKICXYSN-UHFFFAOYSA-N 354.500 5.401 0 40 FKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1 4854014 PWCMHOUWWCOYKL-UNMCSNQZSA-N 366.892 5.790 0 40 FKAB CCN(Cc1ccccc1)C(=O)c1cc2sccc2n1Cc1ccccc1 4970967 RRGCPITYVUELNR-UHFFFAOYSA-N 374.509 5.413 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3nonc3-c3ccccc3)sc2c1 5451857 HBVKQDPKGGDHRB-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1F)CCC2 6047770 PABPUWGNOHOHEL-VAWYXSNFSA-N 351.352 5.088 0 40 FKAB N=C1NC(c2ccc(F)cc2)=C[C@H](c2ccc(Cl)cc2Cl)S1 6221421 CZOWGGDNKOPUGW-OAHLLOKOSA-N 353.249 5.486 0 40 FKAB Fc1ccc(NC(=S)SCc2ccc(Cl)c(Cl)c2)cc1F 6511349 IHGNNUQPOIPOOE-UHFFFAOYSA-N 364.269 5.902 0 40 FKAB Nc1c(Cl)cc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1Cl 6925614 DLXQIFRZFMFVAI-UHFFFAOYSA-N 369.076 5.079 0 40 FKAB CCc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 7094378 CMLVQGMDXYXYMQ-UHFFFAOYSA-N 354.302 5.428 0 40 FKAB CCOc1cc(CN[C@H](C)CC)cc(Cl)c1OCc1ccc(F)cc1 8325905 SADQJUMLBHDZBA-CQSZACIVSA-N 365.876 5.345 0 40 FKAB COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(C)cc3C)c2c1 11866476 SGFVYRZQPPFYCJ-UHFFFAOYSA-N 371.436 5.978 0 40 FKAB biogenic CCCCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12653698 ULKPKSITLDMDMJ-SXEONFLVSA-N 365.558 5.325 0 40 FKAB CC(C)c1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccs1 12982243 YNZGVCPOZDUMGZ-JOCHJYFZSA-N 365.498 5.156 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 14397233 XOFOPEJLDXGBED-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB Cc1nn(C(C)C)c(C)c1CN(CCc1ccccc1)Cc1cccs1 19577422 XHZIBNRWETVFJQ-UHFFFAOYSA-N 367.562 5.387 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 20458298 XDLXZLPWVPJZBA-HYBUGGRVSA-N 373.496 5.285 0 40 FKAB CCCCn1c(NCc2cccc(Br)c2)nc2ccccc21 20807557 MKUJPIXISFPHMN-UHFFFAOYSA-N 358.283 5.211 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(Cl)c1Cl 21577793 JLAHSBKZUFWWPV-UHFFFAOYSA-N 367.251 5.375 0 40 FKAB O=C(CSc1cccc2cccnc12)Nc1ccc(Cl)cc1Cl 33474899 LOSXDHQYOGNBQC-UHFFFAOYSA-N 363.269 5.272 0 40 FKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 45889059 LFTKOIABFRUDLB-UHFFFAOYSA-N 366.273 5.054 0 40 FKAB C1=C(Cc2ccccc2)C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2CC1 51330412 LAXXUBCCEQBHTD-AZGAKELHSA-N 364.492 6.183 0 40 FKAB CCCCc1ccc2nc(Nc3nc4cc(C)c(C)cc4o3)sc2c1 57352888 SPTWQDNIPLQGSX-UHFFFAOYSA-N 351.475 6.141 0 40 FKAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1 59498089 IZMBHGWKQHJGCS-OAQYLSRUSA-N 362.860 5.415 0 40 FKAB CCCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(CC)ccc3o2)c1 70462022 RIJXKTFIXTULAE-UHFFFAOYSA-N 366.461 5.590 0 40 FKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2c[nH]c3ccccc23)CCC1 102656024 RMIFPUADXKXAND-OAQYLSRUSA-N 354.413 5.189 0 40 FKAB Clc1ccccc1/C=C1/c2ccc(Br)cc2-c2cccc[n+]21 104117284 ZMAHDSWEZLPKAV-ODLFYWEKSA-N 369.669 5.417 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219329929 MAGWBRDMOYUCRT-JOCHJYFZSA-N 367.489 5.421 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(Cl)cc1Cl 222948482 WIPJTVZOVGFXOB-KRWDZBQOSA-N 366.288 5.084 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225511957 GJYOZWUPUSPNOX-GOSISDBHSA-N 351.490 5.623 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515123 CNKPFAQJJSUJPY-UHFFFAOYSA-N 355.453 5.311 0 40 FKAB Cc1ccccc1CSCCCNC(=S)Nc1ccccc1Cl 225599888 LPDFBTFMPYEICU-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(C)cc2C)c2ccccc2)c1 225697563 ABBVKOBKWGKVMA-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(OC(C)C)c1)C(C)C 225761958 RXSAOJYJSZMHLK-HXUWFJFHSA-N 356.535 5.466 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1Cl 409122430 YMHGDMUTXRXRKQ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409175348 XPWBFASOAMIIPD-GKUMMSIHSA-N 374.528 5.513 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409179041 JOCKMEZVCFKDFI-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CC(C)N(CCOc1cc(F)ccc1Oc1ccc(Cl)cc1)C(C)C 585266211 MRTMHNXDVNJDNB-UHFFFAOYSA-N 365.876 5.769 0 40 FKAB Cc1cc(C)c(C23CC4CC(CC(C4)C2)C3)cc1C12CC3CC(CC(C3)C1)C2 2382214956 IEEFHIVEDXYMFB-UHFFFAOYSA-N 374.612 7.239 0 40 FKAB CCOc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 995640 DOHVABKMNVLNOQ-NRFANRHFSA-N 363.482 5.557 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3C)cc2)c1 1268862 RRSQUMOCLCBJIF-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 2073112 URKVFMADDHMKTB-UHFFFAOYSA-N 358.894 5.980 0 40 FKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 2200557 NQVCMMJSCPTYKC-UHFFFAOYSA-N 370.496 5.961 0 40 FKAB Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1 2569351 UUTNFLRSJBQQJM-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 2623589 KMFIACHVJUAGQB-UHFFFAOYSA-N 357.485 5.214 0 40 FKAB aggregator CCn1nc(C)c2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc21 2732342 ANKRNKUBBGISBU-UHFFFAOYSA-N 355.363 5.599 0 40 FKAB CCN(CC)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 2742833 JWBZVKVJMHBIIF-UHFFFAOYSA-N 358.485 5.052 0 40 FKAB O=c1c2ccccc2nc(/C=C/C=C/c2ccccc2)n1-c1ccccc1 3213309 GNUTVBXMLXUUAJ-OCQCSWJYSA-N 350.421 5.112 0 40 FKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1C 3236270 OCKKYZVGBUGKLS-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB COc1ccc(CNCC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 4042685 NMEXONRNWNXLNU-HSZRJFAPSA-N 355.522 5.402 0 40 FKAB biogenic CC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccccc1 4073484 IHCCCNHDBGOQON-HSZRJFAPSA-N 359.554 5.437 0 40 FKAB biogenic CCOC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)cc1 4106901 RKFKPONHPVQFEY-UHFFFAOYSA-N 370.408 5.266 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 4666419 HZJMRTKTAUILLV-IBGZPJMESA-N 373.496 6.420 0 40 FKAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1Cc1c(F)cccc1Cl 4689803 HUNLCIDQBKWWLN-BJXWFGTRSA-N 373.836 5.272 0 40 FKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4)c3)nc2c1 4699658 PZMIJNFAXBYLFL-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1ccc2c(c1)S[C@H](CC(=O)c1cccc(Br)c1)S2 5055043 ARGAGCDYVLZHGV-MRXNPFEDSA-N 365.317 5.554 0 40 FKAB Cc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)oc2ccccc12 6306152 WUOKATQFTFXYKB-UHFFFAOYSA-N 369.464 5.693 0 40 FKAB CCCCc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 6342791 NUXKLDINSDZINB-UHFFFAOYSA-N 374.893 5.310 0 40 FKAB Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 6819382 KOUGJIOLVRHYQJ-HNNXBMFYSA-N 371.502 5.034 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)NC(c1ccccc1)c1ccccc1 6884974 XJRCJODCJVXEPW-UHFFFAOYSA-N 371.267 5.905 0 40 FKAB C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 8221733 SCKVRXKMCIGTEP-JTQLQIEISA-N 358.816 5.406 0 40 FKAB Cc1cc(C)cc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1 8611049 GYDANRBYKNUBIE-UHFFFAOYSA-N 361.470 5.240 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1 9528944 QSYDVDFCHIWOKR-UHFFFAOYSA-N 370.408 5.258 0 40 FKAB Cc1ccc2cc(CSc3nnc(-c4ccco4)o3)c(Cl)nc2c1 9643549 QANUAGYGPHECRK-UHFFFAOYSA-N 357.822 5.132 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4F)cc3)oc2cc1C 10120303 ZDZBABJTCVMEAV-UHFFFAOYSA-N 374.415 5.181 0 40 FKAB Cc1ccc(Cl)cc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11264580 UZCBHDVVJWEEGS-FQEVSTJZSA-N 370.905 5.028 0 40 FKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 13061471 UQECYXCZERMFNG-UHFFFAOYSA-N 373.924 5.454 0 40 FKAB CCOC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1C 13668911 KYWWSOIDPVIIPS-UHFFFAOYSA-N 373.408 5.323 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 20036443 GSZXMQHDWOVMIE-AWEZNQCLSA-N 357.759 5.155 0 40 FKAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 20460919 MYIPRURIHMEYKR-KIJZHVTOSA-N 357.453 5.113 0 40 FKAB CC1(C)C[C@H](NCC[C@](C)(Cc2ccccc2)Cc2cccs2)CCO1 32069950 TYKICFSRGFZJSE-NFBKMPQASA-N 371.590 5.477 0 40 FKAB C[C@H](NC(=O)CSCc1cccc2ccccc12)c1ccc(F)cc1 33047535 IMZDBLLQJMZIKF-HNNXBMFYSA-N 353.462 5.090 0 40 FKAB CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215561 XYGPFMWRWDBZSU-LJQANCHMSA-N 373.541 5.311 0 40 FKAB O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 83313367 CHTJRVASYXOBSO-YPKPFQOOSA-N 361.397 5.092 0 40 FKAB FC(F)Oc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C(F)(F)F 84504950 ATPHJWYWGIRLQM-KRWDZBQOSA-N 371.349 5.474 0 40 FKAB O=C1C[C@@H](Sc2ccc(C3CCCCC3)cc2)C(=O)N1c1ccccc1 105737156 DFLHBSFDHHIONN-HXUWFJFHSA-N 365.498 5.159 0 40 FKAB Clc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 106977040 YAAJGBYCTRATBS-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC 108371260 ACNVLENRHNVGCA-SJLPKXTDSA-N 361.530 5.169 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 223029209 WLMBBNMPPGPVCV-LEWJYISDSA-N 373.924 5.709 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C(C)C 223386014 MGLIPOPGFRYGCL-MRXNPFEDSA-N 373.924 5.590 0 40 FKAB Cc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1C 225564090 QGWCYOBSHCYCPO-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)nc1 225769528 QGNQKDRTUHTVBC-NRFANRHFSA-N 361.514 5.083 0 40 FKAB Cc1cc(C)cc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225842833 UKOROIZUDLHSRF-UHFFFAOYSA-N 352.547 5.535 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccccc1 409097749 HFFKPUYBEKSXCV-STZFKDTASA-N 359.450 5.351 0 40 FKAB CC(C)COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409137091 WICQCJZWWOPDMP-XDHOZWIPSA-N 373.518 5.338 0 40 FKAB CCOc1ccc2nc(-c3ccc(NC(=O)N(CC)CC)cc3)sc2c1 503672929 VNZQIULVVSJSOU-UHFFFAOYSA-N 369.490 5.236 0 40 FKAB CC[C@H](C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1 575360412 COTFSHHSOQDSFP-ZDUSSCGKSA-N 360.297 6.101 0 40 FKAB Cc1oc2ccc(OCc3ccc(Cl)cc3)cc2c1C(=O)OC(C)C 634145 OCXUXCDUWVTHER-UHFFFAOYSA-N 358.821 5.539 0 40 FKAB biogenic Cc1ccc2nc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)sc2c1 652142 ASRMXAZUQOQVNC-HNNXBMFYSA-N 352.503 5.545 0 40 FKAB COc1ccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c(OC)c1 1281085 RFIZZUYFLVPFEU-HSZRJFAPSA-N 373.456 5.090 0 40 FKAB COc1ccc([C@H](OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1580475 WQZJJNLYTLWLJO-NRFANRHFSA-N 356.506 5.732 0 40 FKAB O[C@@H](c1ccc(Cl)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 1663989 KMNIXXUSNTVJHM-UXHICEINSA-N 358.268 5.880 0 40 FKAB CCCCOc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1 1791099 IIBATVXBZQMOLE-UHFFFAOYSA-N 366.486 5.550 0 40 FKAB CC(C)[C@H](CC(=O)NCC[C@]1(C(C)C)CCOC(C)(C)C1)c1ccco1 2148350 NHZYBKGTVOGHHW-AVRDEDQJSA-N 363.542 5.147 0 40 FKAB biogenic Cc1ccc2nc(-c3ccc(NCc4ccccc4Cl)cc3)sc2c1 2239567 WCRGVMUFPASHHN-UHFFFAOYSA-N 364.901 6.537 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)C(c1ccccc1)c1ccccc1 2348082 MQLARZWHUNFWSC-UHFFFAOYSA-N 356.469 5.057 0 40 FKAB COc1cccc(N(C(=O)Cc2ccccc2)c2nc3ccccc3s2)c1 2628402 PNIVZZFZOGMMTM-UHFFFAOYSA-N 374.465 5.212 0 40 FKAB Clc1ccc(CSc2nnc(SC[C@@H]3CCCCO3)s2)cc1 3280142 PCOBFSIPQWYQRC-ZDUSSCGKSA-N 372.968 5.145 0 40 FKAB Cc1ccc2c(CC(=O)NC(c3ccccc3)c3ccccc3)coc2c1 3404089 KJCOIWZZQUBYGG-UHFFFAOYSA-N 355.437 5.190 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 4129591 DIUOBVNXPMZFBX-UHFFFAOYSA-N 358.894 5.980 0 40 FKAB Cc1ccc(CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 4209038 UIKJKJXQGQTRND-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB CCCCC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 4703923 FPXZACDLEYONBM-UHFFFAOYSA-N 364.779 5.555 0 40 FKAB CSc1nc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 5676576 DISPTZBKFXPHMI-UHFFFAOYSA-N 355.168 5.316 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 6629516 UUUHLJJJZJPAHN-XDHOZWIPSA-N 368.502 5.157 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 6965727 KOTAKFHETDTMLT-CRTZDJKQSA-N 374.267 5.827 0 40 FKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 9141143 DYUUVIBKNVKAMU-UHFFFAOYSA-N 362.454 5.932 0 40 FKAB CCCc1ccc(-c2nc(NC(=O)CCc3cccnc3)sc2C)cc1 9653439 UFKGSJTZUBTRAY-UHFFFAOYSA-N 365.502 5.037 0 40 FKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)c3ccccc3)cccc2c1=O 12755208 XCCRIJWBEDYDDI-UHFFFAOYSA-N 369.420 5.045 0 40 FKAB Fc1ccc(-c2nnc(CSCc3ccc(Cl)c(Cl)c3)o2)cc1 12851066 LPJLOXROOBNZEJ-UHFFFAOYSA-N 369.248 5.616 0 40 FKAB Clc1ccccc1[C@@H](Cc1c(Cl)cccc1Cl)Cn1ccnc1 12948783 YHTYTKSCZPOEET-ZDUSSCGKSA-N 365.691 5.870 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1 13038398 QLWQJZYGKRQYBL-INIZCTEOSA-N 372.940 5.876 0 40 FKAB S=C(NCCc1cccs1)Nc1ccc(Nc2ccccc2)cc1 17073238 SZHKZAWGJNSJSD-UHFFFAOYSA-N 353.516 5.021 0 40 FKAB CCCCn1nc(C)c2c(C(=O)Nc3cc(Cl)ccc3C)cc(C)nc21 17076031 CLAJPYBJTFCEFQ-UHFFFAOYSA-N 370.884 5.062 0 40 FKAB Clc1ccc(-c2ccc(CNC3CCCCC3)o2)c(Br)c1 20158497 RKPBIEDCOYVWEO-UHFFFAOYSA-N 368.702 5.785 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)s1 30061198 SKTWFXWKKFZANW-UHFFFAOYSA-N 371.845 5.649 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2nc(C)cc(C)n12 35606548 WOEMUZRFFJEUGD-UHFFFAOYSA-N 372.472 5.333 0 40 FKAB O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1ccccc1Cl 48051205 TWJHBIAXRGWPAS-IBGZPJMESA-N 351.837 5.257 0 40 FKAB CCCN(Cc1nnsc1Cl)[C@H](C)c1ccc(Cl)c(Cl)c1 59350296 AOQMFOGHWHQPQZ-SECBINFHSA-N 364.729 5.472 0 40 FKAB CCCCC(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 70462018 CPETVSGMMUKIPJ-UHFFFAOYSA-N 352.434 5.453 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1SCC(O)=Nc2ccsc21 71279101 DHMGHWPHKAORRB-IBGZPJMESA-N 369.515 5.034 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2cccc(CN3CCCC3)c2)c1 71760690 JWDJOMKDWRHIEX-UHFFFAOYSA-N 353.535 5.215 0 40 FKAB ClC1(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc21 104343545 QLMDRLRCHKICRO-UHFFFAOYSA-N 352.864 6.865 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 106971037 FOTWOANCZKZFTO-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCCCc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222608002 GWLNXCYNYWGQLI-UHFFFAOYSA-N 365.864 5.392 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 223764575 WFYBUZSYORNGCS-MOPGFXCFSA-N 353.506 5.023 0 40 FKAB S=C(NCc1ccco1)Nc1ccc(CSc2ccccc2)cc1 225317595 YFMNWYWASMXEDX-UHFFFAOYSA-N 354.500 5.059 0 40 FKAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC[C@@H](C)C1 225810212 GWDCAOKPOUTWSZ-UZUQRXQVSA-N 369.505 5.408 0 40 FKAB Cc1ccccc1C1(NC(=S)Nc2ccc(OC(C)C)cc2)CCCC1 225867021 MHZQPNZNVNEDGY-UHFFFAOYSA-N 368.546 5.538 0 40 FKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccccc1Cl 226097668 BWTXQABBZVSEAF-UHFFFAOYSA-N 366.686 5.480 0 40 FKAB Cc1ccccc1CSCC(=O)Nc1ccccc1Oc1ccccc1 408574758 CTHLCZUGLJGYIT-UHFFFAOYSA-N 363.482 5.659 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 408629348 XYBYCIJZCDFVCG-QGZVFWFLSA-N 374.484 5.480 0 40 FKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccco1 408843531 LWUKFKOOQXTUGN-YRNVUSSQSA-N 364.209 5.146 0 40 FKAB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)(C)C 408960750 INAGCTGVNOVJJD-SFQUDFHCSA-N 354.475 5.101 0 40 FKAB Cc1cccc(NCc2cccc(OCc3cccc4ccccc34)c2)c1 409119067 PJHXOWGCHIMOTG-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(CC)cc2)cc1 706207 ZEIQSAYXZMXZIN-QHCPKHFHSA-N 372.468 5.419 0 40 FKAB Clc1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1 955726 GLLOLMCJCMFYOS-UHFFFAOYSA-N 361.832 5.606 0 40 FKAB O=C(OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 992822 INLMCKPMEJKURI-UHFFFAOYSA-N 360.034 5.113 0 40 FKAB O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 1665691 KBMSHLIYFNGBTH-MOPGFXCFSA-N 350.289 5.254 0 40 FKAB CCN(CC)CCCN(c1ccccc1)c1ccnc2cc(Cl)ccc12 1706859 WOJXSOLBHVTVRG-UHFFFAOYSA-N 367.924 5.758 0 40 FKAB Fc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1Cl 2215273 DZDGISDZZFGFBS-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CC(C)CC[C@@H](C)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 3347166 VXTMZQVWNLVGRB-MRXNPFEDSA-N 359.897 5.474 0 40 FKAB Cc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1O 4349539 UBZXVXTVTAOMNU-UHFFFAOYSA-N 352.437 5.843 0 40 FKAB Cc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C)cc1C 4678961 VOTQBRPSRZDAJV-UHFFFAOYSA-N 370.294 5.079 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)sc2c1 5619189 IWJNHXQYYIKIRK-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB N=C1NC(c2ccc(F)cc2)=C[C@@H](c2ccc(Cl)cc2Cl)S1 6221422 CZOWGGDNKOPUGW-HNNXBMFYSA-N 353.249 5.486 0 40 FKAB CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 8607207 ZHDGQYHCVUTREO-UHFFFAOYSA-N 373.481 5.282 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1 9528957 DPDYONWYPBEVTF-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB Cc1ccc2oc(-c3nc4ccccc4nc3C)c(-c3ccccc3)c2c1 16348242 JIUYHZKLHMTUOG-UHFFFAOYSA-N 350.421 6.327 0 40 FKAB CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 17198381 RIHUEZRIXGXCKI-KRWDZBQOSA-N 368.285 5.171 0 40 FKAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20043672 RURSQVBKYHDUMD-UHFFFAOYSA-N 367.470 5.151 0 40 FKAB Cc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 20366996 STSSOJGOZQQGBA-HSZRJFAPSA-N 365.436 5.314 0 40 FKAB O=C(NC1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1 20460350 NSJZVXWKHSAAGI-UHFFFAOYSA-N 369.530 5.310 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)o1 22076861 QFPMDQLNKKZKMA-YCRPNKLZSA-N 355.865 5.120 0 40 FKAB CCCc1cc(Nc2ccc(Cl)cc2)n2ncc(-c3ccccc3)c2n1 27585114 JVHZBJCBKKEJIE-UHFFFAOYSA-N 362.864 5.746 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3C)o2)cc1 30808301 FZKONUAJVATXCZ-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB CC(C)(C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 32900632 LQRKMEOCSMKRBI-UHFFFAOYSA-N 373.456 5.247 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC(C)C)c1ccccc1 44904217 SEAUTFUALNHONZ-MOPGFXCFSA-N 359.897 5.401 0 40 FKAB CC(C)c1nn(C)c(Cl)c1CNC(c1ccccc1)c1ccccc1 48686526 RVYGPTMBRASJNV-UHFFFAOYSA-N 353.897 5.076 0 40 FKAB Cc1cc(N)cc2sc(Nc3nc4cc(C(C)(C)C)ccc4o3)nc12 57352671 LWXJRPOPCCUZNX-UHFFFAOYSA-N 352.463 5.369 0 40 FKAB OC1=Nc2ccsc2[C@@H](c2ccc(OCc3ccccn3)cc2)SC1 71279077 WATVMPOPOJSFBC-GOSISDBHSA-N 368.483 5.146 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214106 DFGGWDLQJSMGIZ-GOSISDBHSA-N 353.466 5.287 0 40 FKAB COc1ccc2ccccc2c1CN[C@H](c1nc2ccccc2[nH]1)C(C)C 72276800 SYUYHRHFZWIBJJ-QFIPXVFZSA-N 359.473 5.212 0 40 FKAB CC(C)C[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 102252018 YJDMYHAAIKOYQX-HXUWFJFHSA-N 374.488 5.066 0 40 FKAB Cc1cc2occ(CC(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2cc1C(C)C 103012917 PSGPBLAJFRQSBM-XLSPSMHOSA-N 353.506 5.348 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1C 219303373 SPFCFCSDUVAKGK-CTNGQTDRSA-N 353.506 5.264 0 40 FKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 223372697 GUQUHNMDOZYRSB-UHFFFAOYSA-N 353.506 5.090 0 40 FKAB COc1ccccc1NC(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223391601 PJSVTFCBUGSZCX-HNNXBMFYSA-N 356.466 5.018 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224667259 BIAOXWMOJQZYJG-KRWDZBQOSA-N 371.546 5.604 0 40 FKAB CC[C@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 224885523 DGPXZRRSTYPYDO-FQEVSTJZSA-N 371.546 5.121 0 40 FKAB O=C(CCCc1nc2ccccc2o1)Nc1ccc2c3c(cccc13)CC2 224951828 WNOULJOMKJGCNO-UHFFFAOYSA-N 356.425 5.041 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1Sc1ccccc1 225414061 AGWXGXCUWCRCJT-UHFFFAOYSA-N 371.864 5.812 0 40 FKAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)CCS1 225742049 FMZDQQDOJVWPRG-SFHVURJKSA-N 363.885 5.108 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408567904 QGXZRSAYMFDTFV-DHZHZOJOSA-N 373.880 5.488 0 40 FKAB COc1cc(CNc2ccccc2)ccc1OCc1cccc2ccccc12 409112063 ATVYYWQYJPRDQA-UHFFFAOYSA-N 369.464 6.040 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccc(Cl)cc2)cc1 659145 ZRPGJNHJMCTBHN-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CCOc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682445 PYLMLDFDPKFBDJ-QGZVFWFLSA-N 373.452 5.059 0 40 FKAB CC(=O)Nc1ccc(N[C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)cc1 1281028 DXRPPJSMJMUHDI-QHCPKHFHSA-N 370.456 5.031 0 40 FKAB Cc1ccccc1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 2119815 LJCASSVDOMIIIS-UHFFFAOYSA-N 369.420 5.125 0 40 FKAB biogenic Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 2618638 MAENDKYTEFNMID-UHFFFAOYSA-N 368.264 5.220 0 40 FKAB CC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(C)cc4)nn13)CCCC2 3170127 KNPUTAGXDWJRJM-UHFFFAOYSA-N 369.468 5.317 0 40 FKAB Cc1ccccc1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 3171360 WGHBSEUAGYCBLY-UHFFFAOYSA-N 374.546 6.133 0 40 FKAB COC[C@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1 3429086 NROKYFXIWQOKMK-FOVZNYCQSA-N 356.466 5.104 0 40 FKAB Cc1sc2ncnc(SCC(=O)c3cc4ccccc4o3)c2c1C 3435200 XDSJTNFOMVFVKT-UHFFFAOYSA-N 354.456 5.029 0 40 FKAB CC[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849934 ORZBNFZTRWEXII-ZFXLENRKSA-N 360.538 5.310 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccccc2)cc1 4703353 GIWFGUUTBGGRBI-UHFFFAOYSA-N 361.485 6.024 0 40 FKAB O=C(c1ccc(Cl)cc1)[C@H](CCN1CCCCCC1)c1ccccc1 5003909 XNTWQMVSAZGUID-OAQYLSRUSA-N 355.909 5.573 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc1 5065764 NLQKHFHMDOCLBJ-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB CC(C)CC[C@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 5499653 HDPQPBVKYYFUBB-XUZZJYLKSA-N 367.577 6.735 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 5742930 IRVNXTZDUTXMJY-NAOSLSSXSA-N 364.485 5.536 0 40 FKAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 6201883 INRLSJRKCZHBTO-XUXNNNHQSA-N 351.412 5.040 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)cc1 6221152 VZQFAEASICQURR-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB CCC(=O)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl 6555317 PGERHCYHROLTII-LBPRGKRZSA-N 356.853 6.010 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 7401774 ORSUXRDUGIGJPQ-QHCPKHFHSA-N 365.473 5.044 0 40 FKAB Cc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7699454 HHWAJRITHQUYRI-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB CCc1ccc(NC(=O)c2sc(COc3cccc(C)c3)nc2C)cc1 8844224 ONHILZQDOVWXKA-UHFFFAOYSA-N 366.486 5.154 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl 9063954 ONTNMXQHYZSKOH-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CCCOc1cccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)c1 11915807 ZXJKQGPTFMDTMR-UHFFFAOYSA-N 360.457 5.026 0 40 FKAB Cc1ccc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 14068794 LJGJIEFJNYPKMD-UHFFFAOYSA-N 367.533 5.867 0 40 FKAB Cc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cn1 14201840 ZMLFYWOMWSOVHY-UHFFFAOYSA-N 361.426 5.044 0 40 FKAB Cc1ccc(C)c(N2CN(CCc3ccccc3)CN=C2c2ccccc2)c1 19974136 KBYHKIKQJUYHFM-UHFFFAOYSA-N 369.512 5.030 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 20456768 KHAYHVGLYNGNTR-LJQANCHMSA-N 361.938 6.192 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccccc12 21935086 ZITFOGVCYXGBPD-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB O=C(N=C1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1 38337761 FPUJFFYYLHMPIN-UHFFFAOYSA-N 373.455 5.863 0 40 FKAB FC(F)(F)c1cccc(Nc2ccnc3cc(Br)ccc23)c1 54202321 PTQBRRGBKLRORF-UHFFFAOYSA-N 367.168 5.760 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 59055411 QEELAVGMTPGMNV-VQHVLOKHSA-N 358.224 5.905 0 40 FKAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)no2)cc1 61997150 YDWOJFSZUNNLLM-UHFFFAOYSA-N 372.424 5.534 0 40 FKAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2cccc(O)c2)S1 71285935 SVWYVBXPOPLMAU-KRWDZBQOSA-N 357.479 5.076 0 40 FKAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Br)cc1C 71761221 DONLTGDTIMUBHU-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1C(C)C 223380136 OPOWGZVBAGKNIY-MRXNPFEDSA-N 357.469 5.076 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 223466163 UBFQGVPJCRVDKG-CYBMUJFWSA-N 365.901 5.152 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COCC(C)C 224736156 DOPKWGZPTBTTBK-UHFFFAOYSA-N 355.478 5.073 0 40 FKAB CCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225694893 GJXAVZXITXJITC-QHCPKHFHSA-N 369.505 5.416 0 40 FKAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225732042 DWECHIHXYFNZAN-QFIPXVFZSA-N 355.478 5.108 0 40 FKAB Clc1ccc(CNc2cccc(Cl)c2N2CCOCC2)c(Cl)c1 226240464 DOTLXMFJXJLYJE-UHFFFAOYSA-N 371.695 5.096 0 40 FKAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccccc3Cl)nc2c1 226286295 GOYNSNAXSXAXKK-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 248329672 DRSPVCXBVVVLIJ-OVSDDOEQSA-N 356.506 5.659 0 40 FKAB CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)OC(=O)CC)[C@H]2CC1 263593645 BMRFXSRZXNRFQD-RUHLZPOJSA-N 372.549 5.801 0 40 FKAB C[C@@H]1CC(C)(C)N(C)c2ccc(-c3nc(O)cc(-c4ccccc4)n3)cc21 1857624810 ZVLMXORNJOBLBE-OAHLLOKOSA-N 359.473 5.238 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12 634134 IWCRLCLNFXVWRW-UHFFFAOYSA-N 372.420 5.856 0 40 FKAB biogenic Cc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1 669433 VOPJYTARFCAGKE-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(Nc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 903709 BIYDKDGLWYUXGM-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)c(Cl)c2)S1 1044063 SMDCGWAGYNDFFR-LLVKDONJSA-N 363.845 5.009 0 40 FKAB COc1ccc(CC2=NC(C)(C)Cc3c2ccc2ccccc32)cc1OC 1259071 UDMZGKGIXHYACA-UHFFFAOYSA-N 359.469 5.224 0 40 FKAB CCOc1ccc([C@@H](CCN2CC3CCC(CC3)C2)c2ccccc2)cc1 1615858 NQCHWGIDYBIPJN-BAWHURIHSA-N 363.545 5.729 0 40 FKAB CCCCC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 2052167 DYXUKECRPAFTSM-UHFFFAOYSA-N 362.882 5.136 0 40 FKAB Cc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3c(C)c2oc1=O 2091328 HBEYEJJLQRGQID-UHFFFAOYSA-N 354.405 6.285 0 40 FKAB biogenic CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 2185680 ZWPNHPUNUPQKSE-WAIKUNEKSA-N 374.459 6.110 0 40 FKAB CSc1nc(SC)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2400128 JMEVQXBNFCPNNZ-UHFFFAOYSA-N 361.561 5.295 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)c1 3017039 IRIDRNDMXSSRSD-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB CN(c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)C1CCCCC1 3894505 ZNALUEORIXIXHY-UHFFFAOYSA-N 353.363 5.070 0 40 FKAB O=C(Nc1sc2c(c1CN1CCCCCC1)CCC2)c1ccc(F)cc1 4748609 CZJUEGOSCVQZLS-UHFFFAOYSA-N 372.509 5.004 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(F)cc1 4859412 KUCZPTZSYBRHFN-UHFFFAOYSA-N 356.422 5.344 0 40 FKAB Cc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 5483123 OFRQTMVVKRMAKW-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 5500140 YCOHUVNVNLQAMY-UHFFFAOYSA-N 365.546 5.863 0 40 FKAB Cc1cc(C)c(NC(=O)C2c3ccccc3Oc3ccccc32)c(Cl)c1 5611884 GISIEZDOPFPDGJ-UHFFFAOYSA-N 363.844 5.833 0 40 FKAB Cc1cc(C)nc(-n2ncc3c2/C(=C/c2ccc(Cl)cc2Cl)CC3)n1 5788509 PUXSMZFTTLSOQD-RIYZIHGNSA-N 371.271 5.073 0 40 FKAB CCCCCN(CCCCC)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 6203455 SOZHRVNSGBVVPJ-KNKQGSTJSA-N 351.575 5.427 0 40 FKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 6288844 KYADFMKHEIXPJH-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB Cc1ccc([C@H]2N(c3ccccc3Oc3ccccc3)C(=O)C2(F)F)cc1 6995442 KRSKBIHEXFXCBO-HXUWFJFHSA-N 365.379 5.511 0 40 FKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2ccccc2)cc1 7601520 ZTCANFZRBVRCJQ-UHFFFAOYSA-N 358.470 5.018 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 8586786 XWUPUDSOKJYGBF-OAHLLOKOSA-N 372.534 5.334 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cnc3ccccc32)cc1 8725323 FPPXLPMZOKADLV-UHFFFAOYSA-N 365.795 5.070 0 40 FKAB O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1cc2ccccc2o1 9513821 YUTXKPOYEGDRKB-XMMPIXPASA-N 355.437 5.271 0 40 FKAB Cc1ccc(OC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 9694751 POGKHSWWUFSXMH-UHFFFAOYSA-N 371.672 6.389 0 40 FKAB Cc1c(-c2nnc(CSc3ccc(Cl)cc3)o2)oc2ccccc12 12813225 RJYJTKIMVYPBKK-UHFFFAOYSA-N 356.834 5.737 0 40 FKAB FC(F)(F)c1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1Cl 13934105 SQNFMUGFEMSBIS-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB CCCCCc1ccc(-c2ccc([C@@H]3CC[C@H](CCC)[C@@H](C)C3)cc2)nc1 13943993 BEBHGHCGTNWFFH-UWDQQESISA-N 363.589 7.801 0 40 FKAB Clc1ccc(Cn2ccc3cc(Br)ccc32)cc1Cl 13945542 SOVPITJJVBKCCN-UHFFFAOYSA-N 355.062 5.759 0 40 FKAB CCCOc1ccc(NC(=O)c2cccc3ccccc23)c2cccnc12 15840963 HNKJUBVMAFJKOC-UHFFFAOYSA-N 356.425 5.429 0 40 FKAB Cc1nc2ccccc2nc1CN(C(=O)Nc1ccccc1)c1ccccc1 16265187 ZLBOPDNVVOQUBX-UHFFFAOYSA-N 368.440 5.177 0 40 FKAB O=C(Cc1ccccc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17074370 YMEXZLBCJXZMRA-UHFFFAOYSA-N 361.224 5.539 0 40 FKAB CCCc1cc(Nc2ccc(N(C)C)cc2)n2ncc(-c3ccccc3)c2n1 23114893 HRTQYFRNFAACCP-UHFFFAOYSA-N 371.488 5.158 0 40 FKAB Cc1noc(C)c1CC(=O)N[C@H](c1ccc(C2CCCCC2)cc1)C(C)C 26793329 FSUCYHXFQXZEQJ-QHCPKHFHSA-N 368.521 5.395 0 40 FKAB CC(C)c1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1 38651620 HGZCKPPYBKMSCH-UHFFFAOYSA-N 359.498 5.812 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)Nc1ccccc1Cl 44441452 UQYIZSJKOFBWPA-UHFFFAOYSA-N 363.804 5.792 0 40 FKAB CCCCc1ccc2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352893 MCTJLIPMNDREFQ-UHFFFAOYSA-N 357.866 6.177 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351366 FOKPYENGINXGBC-FDDCHVKYSA-N 361.485 5.491 0 40 FKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cc(C)ccc3C)oc12 67340005 KTLZXLFDECGDIR-VOTSOKGWSA-N 355.821 5.364 0 40 FKAB Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccccc4F)c3C)n2)c1 67341636 OAWHRNQNOUOJDQ-UHFFFAOYSA-N 364.449 5.122 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 70462045 HSNIAKXDKZFIKF-UHFFFAOYSA-N 366.461 5.843 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CSCc1c(F)cccc1Cl 96538357 AXFKVJMUBPXUFM-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2cccc(F)c2)c2ccccc21 102620684 SPMBTYLXIPDASX-QFIPXVFZSA-N 359.425 6.076 0 40 FKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1-c1nc2ccccc2s1 103468944 DEZJZDROUSQPFQ-JYJNAYRXSA-N 362.498 5.728 0 40 FKAB CC(C)c1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222602701 FYFPCBUGKLBQEW-UHFFFAOYSA-N 351.837 5.173 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc3ccccc23)c1 222893466 BNFLWJTXQLAQHE-GOSISDBHSA-N 361.485 5.355 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225575231 UKGCSFCKSCVHBI-GOSISDBHSA-N 354.519 5.399 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@H](C)C1 225853143 ZVLVVNWRQCJYFI-UGSOOPFHSA-N 373.415 5.028 0 40 FKAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(CCC3CCCC3)n2)c1 585265041 CXRCHAACMVPKIM-UHFFFAOYSA-N 367.489 5.665 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)on2)cc1 1775975076 DGIUDFGVOUSCMQ-BLLLJJGKSA-N 365.260 5.180 0 40 FKAB CCCc1c(C)c2cc(Cl)c(OCc3ccc(C)cc3)cc2oc1=O 1751469 CNUGXGSLJXAIBG-UHFFFAOYSA-N 356.849 5.595 0 40 FKAB CCCc1sc(Nc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 2176708 LFCWEAKOERZXBW-UHFFFAOYSA-N 363.313 6.813 0 40 FKAB O=C(Cn1c2c(c3ccccc31)CCCC2)Nc1ccccc1C(F)(F)F 2887318 VJRNQNOENAVGAU-UHFFFAOYSA-N 372.390 5.178 0 40 FKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3C)s2)cc1 3328691 OXOYUAFPAVVRPD-CQSZACIVSA-N 369.515 5.262 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1 4062356 HWNLMEJLWFRSJL-UHFFFAOYSA-N 369.424 5.041 0 40 FKAB Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccccc1)OC(c1ccccc1)=N3 4709478 PYTKDAPOJXXMAV-HXUWFJFHSA-N 370.477 6.111 0 40 FKAB CCc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 4749423 IXQLPKOHIPKSRH-UHFFFAOYSA-N 373.338 5.088 0 40 FKAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 5461556 MHVFYFSNWRTKAU-IRLDBZIGSA-N 373.887 6.144 0 40 FKAB Cc1ccc(CSCC(=O)NC(c2ccccc2)c2ccccc2)cc1 6289069 CRMBFDIXQBKHBB-UHFFFAOYSA-N 361.510 5.134 0 40 FKAB Cc1csc(-c2ccc(OCC(=O)c3cc(C)n(C4CC4)c3C)cc2)n1 7995497 OUUJVRYZBGIDKJ-UHFFFAOYSA-N 366.486 5.133 0 40 FKAB COc1cccc(CNC2CCCCCC2)c1OCc1ccc(F)cc1 8495365 KMWGYGCHCUIFLQ-UHFFFAOYSA-N 357.469 5.226 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1 8563485 MFFPWHULQGOANJ-UHFFFAOYSA-N 361.441 5.014 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1C 9227676 OMYWLKUTQNXGFL-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB O=C(O)[C@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1 11726238 ZEYYDOLCHFETHQ-QFIPXVFZSA-N 361.441 5.172 0 40 FKAB COc1ccccc1C(=O)N1CCC[C@H]1c1cc(-c2ccccc2)cc(C)n1 19690764 QIKKWKLLGCOPIC-QFIPXVFZSA-N 372.468 5.043 0 40 FKAB Cc1ccc(C(=O)N[C@H]2Sc3ccccc3N=C2c2cccs2)cc1 19927749 VWNLIJFFKICUBK-FQEVSTJZSA-N 364.495 5.039 0 40 FKAB CCCN(Cc1c(C)noc1C)[C@H](C)c1ccccc1Br 59389265 LKABLZIUZQYMHO-CYBMUJFWSA-N 351.288 5.027 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 78458573 ISJKKGSXKLGPCF-UZUQRXQVSA-N 361.485 5.437 0 40 FKAB CC(C)(C)c1ccc(C(=O)N2CCC(CSc3ccccn3)CC2)cc1 85472295 DWDFYDRNBMTGCW-UHFFFAOYSA-N 368.546 5.024 0 40 FKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccccc1 214037398 CDIWWMWAVWOCQP-NTEUORMPSA-N 364.253 5.230 0 40 FKAB Cc1cccc(CSCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 222742944 IYDYQCNPQPLZKF-UHFFFAOYSA-N 355.503 5.188 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 223020428 YWLLAIPPMSVCHN-LJQANCHMSA-N 361.869 5.232 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225518042 RUOJJMUHXOWZHX-UHFFFAOYSA-N 369.480 5.682 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cn1 225860969 KISCDTJKVFTLCK-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB O=C(c1conc1-c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 225871844 GDWXHUAVEWCGMQ-UHFFFAOYSA-N 368.436 5.184 0 40 FKAB COc1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 257256617 KMFVUTQYFVEQBG-SLYNCCJLSA-N 356.437 5.084 0 40 FKAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 408597399 YVHISOIADYGZFT-UHFFFAOYSA-N 373.692 5.082 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1 409118167 SRGVCIKAPTYGAV-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 639409 JVUSRPNFZYFAQR-UHFFFAOYSA-N 365.816 5.120 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 667111 LGBJMRRTIMHUDO-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)c1cccs1 852987 REXBFVHDSIQMIN-UHFFFAOYSA-N 372.449 5.406 0 40 FKAB CC(=O)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2nc1Cl 1367791 OXEWDBNFEUZIQE-UHFFFAOYSA-N 358.894 5.115 0 40 FKAB CCOP(=O)(Nc1cc2c(cc1Cl)-c1ccccc1C2)OCC 1638400 AGPAUBKGKCIJDM-UHFFFAOYSA-N 351.770 5.504 0 40 FKAB CCOP(=O)(Nc1cc2c(cc1Cl)-c1ccccc1C2=O)OCC 1699690 VGASVABEPVIAJX-UHFFFAOYSA-N 365.753 5.144 0 40 FKAB O=C(NCCOc1ccc(Cl)cc1)c1sc2ccccc2c1Cl 2170560 OBCMBMXVCYMORR-UHFFFAOYSA-N 366.269 5.017 0 40 FKAB CCCCCC(=O)Nc1c(-c2ccccc2)c(=O)c2ccccc2n1CC 2338429 NYURRETYFWGHLF-UHFFFAOYSA-N 362.473 5.207 0 40 FKAB O=C(Oc1cc2ccccc2cc1C(=O)Nc1ccccc1)c1ccccc1 2516267 ADTBJFVXCOYHAO-UHFFFAOYSA-N 367.404 5.311 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1C 2738693 BPPXAELKZMWZDZ-UHFFFAOYSA-N 358.485 5.581 0 40 FKAB Clc1ccc(-c2noc(-c3ccc(Br)cc3)c2Cl)cc1 3156642 BURSKDHJYHIVIE-UHFFFAOYSA-N 369.045 6.078 0 40 FKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 3217084 ZAMXSSAJWSNCQY-UHFFFAOYSA-N 373.452 5.074 0 40 FKAB Cc1ccc(Nc2nc(C)nc3scc(-c4cccs4)c23)c(C)c1 3356605 HIFIEVIEYLBXCH-UHFFFAOYSA-N 351.500 6.089 0 40 FKAB Cc1cccc(NC(=O)c2ccc(OC(=S)N(C(C)C)C(C)C)cc2)c1 4356953 RZFVMNXEIDRMKH-UHFFFAOYSA-N 370.518 5.030 0 40 FKAB C1=C2[C@@H]3CCCC[C@@H]3O[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]2CCC1 4587596 VGZDMJBYELSMKA-NDBXHCKUSA-N 360.521 5.379 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 4680230 UOOXKPDWJIWFQB-UHFFFAOYSA-N 367.857 5.970 0 40 FKAB CCOc1ccc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 4739947 VRDNZDXDCIYDLK-UHFFFAOYSA-N 365.380 5.366 0 40 FKAB COc1cccc(C)c1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002094 DUKIUTAHHNHZRL-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB C/C(=C/c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)[C@H](O)CC2(C)C 5179019 AILNZJCWRAWPSD-MCZSENPKSA-N 350.502 5.059 0 40 FKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 6084247 MODRWZWILHRLAM-UHFFFAOYSA-N 357.236 5.940 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCCOc3ccccc3)ccc21 6319838 CCDYYAPPOHCPDC-UHFFFAOYSA-N 372.468 5.612 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1Cl 6421529 GXUHZXNLVONWJS-UHFFFAOYSA-N 368.889 5.588 0 40 FKAB O=C(c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)Cc1ccco1 6810643 WUHGNTQYLMZEER-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB Cc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1Cl 6866183 RITXRFSCNWFDAR-DHDCSXOGSA-N 365.738 5.012 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(F)cc23)cc1 8024047 GHMFMAIEPNUXHS-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB Clc1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 12546233 DLSRKSLVHSQEQS-UHFFFAOYSA-N 353.252 6.058 0 40 FKAB O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1C(F)(F)F 12916525 NFQYLEGGZQWQHU-UHFFFAOYSA-N 366.342 5.072 0 40 FKAB CC[C@H](C)Oc1ccc(-c2ccc(-c3ccc(O[C@H](C)CC)cc3)cc2)cc1 18142305 CRTXVVQPCWPLKT-BGYRXZFFSA-N 374.524 7.375 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1c1cccs1 22131808 LLLRQHAUAOZCLO-GFCCVEGCSA-N 360.529 5.219 0 40 FKAB CCCC/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1CCCC 35042019 JWTAAMNZUSOAAE-LDORSNRDSA-N 350.915 5.213 0 40 FKAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1OCC(C)C 48299710 LNNUJRSCGLCDME-QGZVFWFLSA-N 358.507 5.324 0 40 FKAB CC(C)Oc1ccc([C@@H](CCNCc2ccco2)C2CCCCC2)cc1 50690240 DIECDKRJLGHYQI-QHCPKHFHSA-N 355.522 5.911 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4ccc(Br)cc4C)o3)[nH]c2c1 85345536 UYKDKOONVBBCPF-UHFFFAOYSA-N 367.246 5.869 0 40 FKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 106701161 GJWZZYOFONJQCJ-UNOMPAQXSA-N 351.471 5.355 0 40 FKAB Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C 138767969 CWJAGOKWALHKSF-UHFFFAOYSA-N 374.527 7.283 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1 222900053 RZGRSUJTUNEHME-FCHUYYIVSA-N 353.506 5.291 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220558 NEYQSICVYGJBGP-BXKMTCNYSA-N 373.496 5.363 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc2ccccc2c1 225089167 DCDZCBNHQCLLCN-SFHVURJKSA-N 361.224 5.221 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)nc2c1 225260511 PHEGESZHHKVMIX-INIZCTEOSA-N 355.441 5.029 0 40 FKAB C[C@@H]1CCC[C@@H](OC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 226357838 CICGXGGFHBMCLY-DNVCBOLYSA-N 362.425 5.196 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1Cl 408619428 CAFGQKUNEVZTEU-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB O=C(NCc1ccc(F)cc1)c1sc2cccc(Cl)c2c1Cl 651840 KJRLPRWOEDWUTH-UHFFFAOYSA-N 354.233 5.277 0 40 FKAB Clc1ccc2c(c1)[C@@H](O[C@@H]1CN3CCC1CC3)c1ccccc1CS2 702161 BMQGWQJMFCYXPU-CTNGQTDRSA-N 371.933 5.146 0 40 FKAB O=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1cccs1 1088484 QTIYMJPTDTZGAX-UHFFFAOYSA-N 372.449 5.406 0 40 FKAB Cc1cccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc12 1342876 GALZZUCZPWDYLD-UHFFFAOYSA-N 367.861 5.246 0 40 FKAB C[C@@H]1CCCC[C@@H]1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807507 PNUAAIFWELAVJV-KDOFPFPSSA-N 351.881 5.941 0 40 FKAB CCCOC(=O)c1c(NC(=O)Nc2cccc(C)c2)sc2c1CCCC2 2090373 BEEYCTTVNOYMAK-UHFFFAOYSA-N 372.490 5.146 0 40 FKAB Cc1nn2c(NC(C)C)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 2427082 YNAIETNXYWVKFP-UHFFFAOYSA-N 356.901 5.476 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3224731 GEYDDOZFZHDFAZ-MRXNPFEDSA-N 369.534 5.342 0 40 FKAB CC(C)(C)c1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)cc1 3451320 CHVBADMFTBJLDT-UHFFFAOYSA-N 360.453 6.038 0 40 FKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1ccccc1 3655344 MOBGTILFXAWOPL-UHFFFAOYSA-N 359.356 5.055 0 40 FKAB Fc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc(F)cc3)=NN2)cc1 4168692 KWQJXPRIYIAOOF-UHFFFAOYSA-N 367.786 5.052 0 40 FKAB C[C@H](Cc1cccs1)NC(=O)c1sc2cc(F)ccc2c1Cl 4949026 BTIATNYIJYEQMG-SECBINFHSA-N 353.871 5.116 0 40 FKAB Cc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1Cl 5023176 SSCYSZKZJXPPMS-UHFFFAOYSA-N 358.850 5.143 0 40 FKAB COc1ccc2c3c(cccc13)O[C@]21C=Cc2c(ccc3ccccc23)O1 5361457 MHZSFSPIFIHVGH-XMMPIXPASA-N 352.389 5.653 0 40 FKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N1CCCCCC1 5937602 YJWDKOPKXSUGSC-UHFFFAOYSA-N 369.317 5.062 0 40 FKAB CC(C)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 6392761 ZFNYOCQLNGBTLA-INIZCTEOSA-N 355.787 5.737 0 40 FKAB Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n(C2CCCC2)c1C 7140041 LBKZXJJNAQPTOS-UHFFFAOYSA-N 372.578 5.493 0 40 FKAB Cc1cc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2cc1C 7572923 WPDXFIQXXJYOES-UHFFFAOYSA-N 357.287 5.534 0 40 FKAB O=C(Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccc(Cl)cc1 7986527 WYXVERRZVQYVNY-UHFFFAOYSA-N 369.462 6.206 0 40 FKAB CN(C)c1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 8974701 QOMLGBNLTWPZGV-UHFFFAOYSA-N 374.875 5.760 0 40 FKAB CCOc1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1 9387021 MAGMBTNNZISQRU-UHFFFAOYSA-N 352.459 5.160 0 40 FKAB CCc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17075164 DKOFRQNWASDRTG-ACCUITESSA-N 365.860 6.123 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 20493282 TWJXKDSGEKTDRS-HNNXBMFYSA-N 374.720 6.156 0 40 FKAB COc1cccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)c1 23114911 YQCVTPJQVUXGBX-UHFFFAOYSA-N 358.445 5.272 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)Nc3cc(-c4ccc(F)cc4)no3)oc2c1 27992143 BYRDPACKZICQFO-UHFFFAOYSA-N 364.376 5.404 0 40 FKAB CC(C)(C)c1cc(SCC(=O)Nc2ccccc2)cc(C(C)(C)C)c1O 33736260 VXZFTOHDUSYLSZ-UHFFFAOYSA-N 371.546 5.718 0 40 FKAB Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 40144834 OXKUCJDFVUWHRE-UHFFFAOYSA-N 362.477 5.251 0 40 FKAB Clc1ccccc1OCCCn1c(-c2cccs2)nc2ccccc21 40239143 TXDIFQSLZGNAND-UHFFFAOYSA-N 368.889 5.887 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 44900409 XSKVPVVUAZPZGK-ITOSSNOYSA-N 363.954 5.296 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 44904552 WFSXGMDCCAIFTK-GFCCVEGCSA-N 354.302 5.133 0 40 FKAB C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Cl)c1 57508810 XYKXAGQFBGZXCH-LIRRHRJNSA-N 370.905 5.108 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 59351482 YQSKYLFQURIEJW-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1 68603154 DOSXARJBOWEEKP-UHFFFAOYSA-N 371.827 6.001 0 40 FKAB biogenic CC(C)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C(C)C 72213042 OYXCWEJFTGANMW-QFIPXVFZSA-N 351.538 5.432 0 40 FKAB C[C@@]1(c2ccc(Cl)cc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 97105452 OSTGVAJKMCOFQI-JOCHJYFZSA-N 372.859 5.412 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1Cl 106971328 CAKBJTMYFGJTRW-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1nc(CSc2nc(C)c(C)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)oc1C 107339245 DMSFXQNNEHBCHE-LEUOFYLZSA-N 359.539 5.394 0 40 FKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 218934745 QDFSQADLAWHQQR-NRFANRHFSA-N 353.506 5.247 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 218959950 XRMBSYKLEGYYLK-UHFFFAOYSA-N 361.441 5.620 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219388383 DUWVKMAZLUGMHY-BEFAXECRSA-N 361.938 5.705 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2OC(C)C)c2ccccc2O1 223577137 POODFHUOZDHVKS-LJQANCHMSA-N 367.489 5.286 0 40 FKAB CCc1nc2ccc(NC(=S)N[C@H](C)CCc3ccccc3)cc2s1 225208072 ZGPBUFGRZGDMPN-CQSZACIVSA-N 369.559 5.166 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nc2c1 226287227 QHQRBWWUBZRULH-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCC 409115414 JAAWCXPIBDLFRJ-UHFFFAOYSA-N 354.277 5.711 0 40 FKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1C 409206858 MKZQOHYOPCEBNG-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB Cc1ccccc1-c1nnc(CCCOc2ccc(Cl)cc2Cl)o1 2136160 LNMOGPCMPKWZCS-UHFFFAOYSA-N 363.244 5.363 0 40 FKAB CSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 2251229 DJQAIOXZZPOLQS-UHFFFAOYSA-N 368.546 5.046 0 40 FKAB CCC1(CC)c2ccccc2N(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 2343772 JXAYMBVZSAGRAO-RUZDIDTESA-N 355.481 6.150 0 40 FKAB O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)cc1F 2949583 DWJHKMDUMNZQJS-HNNXBMFYSA-N 360.212 5.050 0 40 FKAB Cc1ccc(C(=O)[C@H](OC(=O)c2sccc2C)c2ccc(C)cc2)cc1 3297994 ZDCJZPOAZUBCBI-HXUWFJFHSA-N 364.466 5.454 0 40 FKAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2NC1=O 3452880 FAWFWVSLFMNUHW-AWEZNQCLSA-N 374.465 5.039 0 40 FKAB O=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C1CCCCC1 3655936 KWVPQTQDUIIBTJ-UHFFFAOYSA-N 351.877 6.106 0 40 FKAB Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c(C)c1 4033408 QJTZANNIECTGDN-SFHVURJKSA-N 361.489 5.063 0 40 FKAB CCCn1cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21 4060575 FPQXLMXYGCXHMD-UHFFFAOYSA-N 360.429 5.060 0 40 FKAB C[C@@H]1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 4075714 NHCMKBJKAXCJTB-OAHLLOKOSA-N 362.498 5.111 0 40 FKAB Clc1ccc(-c2cc3cccc[n+]3cc2-c2ccc(Cl)cc2)cc1 4671226 GQCXMTKULOAJTD-UHFFFAOYSA-N 351.256 6.066 0 40 FKAB COc1ccc(CNC(=O)Nc2cccc3ccccc23)c(C(C)(C)C)c1 5379856 VZHMPOZIEMMHHQ-UHFFFAOYSA-N 362.473 5.468 0 40 FKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 6186756 AOWMGEGWBOOTLQ-UHFFFAOYSA-N 372.468 5.134 0 40 FKAB CCOc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 6340874 SMWMAGFRZYIBOZ-UHFFFAOYSA-N 372.515 5.206 0 40 FKAB CCOc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504093 UFDSEMMBDHSBBS-NRFANRHFSA-N 371.440 5.337 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(Cl)cccc1Cl 13708745 SQLQSIHQVDNPCM-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1Cl 16385492 GICDRFMGEWKVSC-UHFFFAOYSA-N 365.043 6.049 0 40 FKAB Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)cc1 19894518 GEPAFACABPYCEG-UHFFFAOYSA-N 358.850 5.143 0 40 FKAB CSc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20104833 AAEJEHWLQREBOJ-UHFFFAOYSA-N 374.509 5.224 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30850829 JFYFPUWIIZFVSL-RXVVDRJESA-N 367.533 5.636 0 40 FKAB O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccccc1F 41086002 LGQREUAUDQEHAE-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB O=C(Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1)NC1CCCCC1 41127648 FOTUWLKFFSWDIZ-UHFFFAOYSA-N 368.864 5.140 0 40 FKAB C1=C(Cc2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2CC1 51330414 LAXXUBCCEQBHTD-RSXGOPAZSA-N 364.492 6.183 0 40 FKAB Cc1sc2ncnc(Oc3ccccc3OCC(F)(F)F)c2c1C 58293099 VHDQEQMXIYBBII-UHFFFAOYSA-N 354.353 5.042 0 40 FKAB COc1ccc(Sc2ccc(NC(=O)c3ccncc3)cc2Cl)cc1 60110204 TWTLGAQDEIBDAN-UHFFFAOYSA-N 370.861 5.147 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccccc1 67190058 FFLRYQBGZYHGKB-LVWGJNHUSA-N 374.827 5.571 0 40 FKAB Cc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1Br 215880730 JHIPSOPQOOFJHX-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222873779 FWAAVBVQVSWINN-FQEVSTJZSA-N 369.917 5.680 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(F)cc3)ccc21 224957162 UAYTWSQZLGJNGY-UHFFFAOYSA-N 360.432 5.525 0 40 FKAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 225068131 BVZOZBPDSYXQBC-RUZDIDTESA-N 357.497 5.369 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225514211 OFWMCLDQDNVWKP-UHFFFAOYSA-N 365.517 5.851 0 40 FKAB O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccc2c(c1)OCO2 408605570 JMZRPHDYLKXVPH-UHFFFAOYSA-N 367.788 5.113 0 40 FKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccco2)C1=O 408819235 ZYISGXUYERQRQD-QZTNHXMSSA-N 367.494 5.334 0 40 FKAB CCOc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682444 PYLMLDFDPKFBDJ-KRWDZBQOSA-N 373.452 5.059 0 40 FKAB COc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1F 705127 ZZZVHRWKFBGXQF-UHFFFAOYSA-N 350.418 5.855 0 40 FKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc(F)c1 848911 ZIQZZBPQHBJFLR-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB Cc1sc(NC(=O)c2ccco2)c(C(=O)c2ccc(Cl)cc2)c1C 976171 UYPAJNACNZXWIE-UHFFFAOYSA-N 359.834 5.095 0 40 FKAB aggregator CCCOc1ccccc1Nc1c(C(=O)OCC)cnc2c(C)cccc12 1777808 QFQPVXBTQTYIPF-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB O=c1oc(Cc2cccc3ccccc23)nc2scc(-c3ccccc3)c12 2083462 DNRJZFKLFHWLNH-UHFFFAOYSA-N 369.445 5.661 0 40 FKAB CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 2242082 KLRADFZFNHWPAF-UHFFFAOYSA-N 352.817 6.121 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 2737618 FJMFONANYZJUKU-ZIAGYGMSSA-N 365.539 5.205 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 3893257 AXWQXUFTYRJKEU-UHFFFAOYSA-N 369.468 5.780 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccs1 4071253 RIOJSYCANVLPLH-UHFFFAOYSA-N 362.479 5.791 0 40 FKAB O=C1[C@@H](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1C12CC3CC(CC(C3)C1)C2 4198909 WUYQWHVQVHYWPK-XBGICRJWSA-N 352.562 6.015 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccccc2)C1=O 5217091 SVDDGKGEGASOQK-VPJOFFEXSA-N 362.513 5.931 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)Sc1nc2ccccc2s1 5705101 YZRCBLODAYELRF-UHFFFAOYSA-N 370.282 6.032 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 6034029 ZSAOVZBGGARYSU-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB CCCCC1=N[C@@H]2Sc3c(ncnc3N(C)CCCC)[C@@H]2C2=C1CCC2 6309894 QVLYVYZUDQHCAQ-LAUBAEHRSA-N 370.566 5.354 0 40 FKAB Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1Cl 6406251 MMFIQOOVDHTEIT-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)cc1 8024042 KRPWMVMPFUYMBI-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB CCOc1cc(CN[C@@H](C)CC)cc(Cl)c1OCc1ccc(F)cc1 8326662 SADQJUMLBHDZBA-AWEZNQCLSA-N 365.876 5.345 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1OCc1ccccc1 14035486 KYKDBICQXOMCIE-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1nc(C(=O)Nc2cccc3ccccc23)cc2c1[nH]c1ccccc12 16266183 BVGVYRJPNLSLEM-UHFFFAOYSA-N 351.409 5.430 0 40 FKAB CC[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757679 YVRMUGMZFAYOHD-QGZVFWFLSA-N 373.525 6.287 0 40 FKAB CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(OC)cc1 20049796 NJSDQAASXYQIAK-SFHVURJKSA-N 363.910 5.098 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(F)(F)F 20238084 SZJZIWGZHIQDGW-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2ccccc2c1 58819809 JLACUMJPSBGKGR-UHFFFAOYSA-N 372.399 5.096 0 40 FKAB Cc1ccc(C[C@@H]2CCCN(C(=O)CCc3ccc(Cl)s3)C2)cc1 65162483 BFGHIDQUZPFWGC-KRWDZBQOSA-N 361.938 5.124 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 80135621 XIIAYQZJNBULGD-VANMJNHGSA-N 372.681 8.498 0 40 FKAB biogenic,in-vitro CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)cc1 95951271 WUYDGQZCRZTGNH-MRXNPFEDSA-N 370.522 5.082 0 40 FKAB c1ccc([C@H]2[C@@H](c3ccccc3)[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 104220072 YLYPZHKIBGEMTF-YAOOYPAMSA-N 360.480 5.590 0 40 FKAB Cc1ccccc1[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CCS1 219272010 NTBASVYQKZBKBO-RXXSEBCPSA-N 369.574 5.218 0 40 FKAB COC(=O)c1cn(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc12 222568605 ZSNKWRKJGUJLAF-VQHVLOKHSA-N 374.223 5.088 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 224843727 TYXPIMNAFDJOFB-NRFANRHFSA-N 351.490 5.232 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966767 HHWCRXINGXZXTQ-QFIPXVFZSA-N 366.505 5.090 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cccc(Cl)c2)c2ccccc2)cc1 225508490 PEODYXMRLKJMNH-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(Cl)cc2)cc1 225614407 XNQHCFUXVMLXHV-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225652905 IUSBCUDISOGXAG-QFIPXVFZSA-N 363.542 5.734 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225756441 HIKWKUFTEKDQQM-UHFFFAOYSA-N 373.496 6.079 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 409177531 BPHFLITWOFCTFX-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccccc1C(F)(F)F 575618734 BRXFBAYYJLGECR-LBPRGKRZSA-N 363.404 5.281 0 40 FKAB c1ccc2cc(OCCOCCOc3ccc4ccccc4c3)ccc2c1 1669828 YXUDAKFADPXOHE-UHFFFAOYSA-N 358.437 5.467 0 40 FKAB CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1OC 1724568 IWVGXLGDOQCARJ-UHFFFAOYSA-N 369.896 5.482 0 40 FKAB CC(C)c1ccc(-c2csc3ncnc(Nc4ccccc4F)c23)cc1 2890621 FMSYKNVZBBPDEH-UHFFFAOYSA-N 363.461 6.364 0 40 FKAB CCN(CC)c1cccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1 3183547 PNQCHKTYEJXLPE-UHFFFAOYSA-N 353.249 5.451 0 40 FKAB O=C(Oc1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)s1 3220408 NHFKIARAHYKSDR-UHFFFAOYSA-N 355.415 5.383 0 40 FKAB COc1ccccc1OC(=O)c1ccccc1OCc1ccccc1Cl 3276593 MNDTWYSAGXPJKM-UHFFFAOYSA-N 368.816 5.147 0 40 FKAB C/C=C/c1ccc(OCCn2c(C)nc3cc(C)c(C)cc32)c(OC)c1 6767812 AIQWQACXQSHBNL-VOTSOKGWSA-N 350.462 5.082 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COc2ccccc2)o1 7654543 RVYRGVIPPRTWFR-UHFFFAOYSA-N 361.319 5.130 0 40 FKAB O=C(Nc1ccccc1CC(F)F)C(c1ccccc1)c1ccccc1 8381018 SJOASGQNZNEUTF-UHFFFAOYSA-N 351.396 5.265 0 40 FKAB C[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 8535342 JHIXHSSNCVGSFB-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)s1 9233391 DRVNBPNYAYXZHF-VGOFMYFVSA-N 367.854 5.086 0 40 FKAB COc1ccc(SCCC(=O)Nc2cccc(Cl)c2Cl)cc1 10219614 STSCORPKGYYNIZ-UHFFFAOYSA-N 356.274 5.123 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1C 10507521 UIDFELCWMMFUCH-UHFFFAOYSA-N 374.444 5.141 0 40 FKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc2cc[nH]c2c1 12407867 ZDAZENZYUYWFBT-UHFFFAOYSA-N 367.861 5.506 0 40 FKAB C[C@H]1CCc2nc3sc4c(c3c(-c3cccc(F)c3)c2C1)CCCC4 12610098 RFZZCGFUOJZZAT-ZDUSSCGKSA-N 351.490 6.106 0 40 FKAB COc1ccccc1[C@H](C)NC(=O)CC(c1ccccc1)c1ccccc1 12784848 STYWBXHZRJLYKA-SFHVURJKSA-N 359.469 5.095 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 13942321 XXWNSJXBOKYTRD-HSZRJFAPSA-N 370.427 5.361 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 20453836 QFZFEAJAPRQRQH-GOSISDBHSA-N 361.441 5.502 0 40 FKAB CCCCCC[C@@H](C)NC(=O)c1cc(-c2ccsc2)nc2ccccc12 26780134 ASZHWGUCRYNQPX-MRXNPFEDSA-N 366.530 6.052 0 40 FKAB O=C(Nc1ccccn1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32647223 RZBLMGVGSRQDAI-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB FC(F)(F)c1nc2ccccc2n1CCOc1cccc2ccccc12 40231820 YIYNBNCWIXHZAQ-UHFFFAOYSA-N 356.347 5.287 0 40 FKAB O=C(c1ccccc1C(F)(F)F)N(Cc1ccsc1)Cc1ccco1 42382045 VPGUIHJZAZRGSK-UHFFFAOYSA-N 365.376 5.203 0 40 FKAB Clc1cc(Cl)c(Br)c(-c2nc3ccccc3s2)c1 45919949 GQOBADRRMKJDRX-UHFFFAOYSA-N 359.075 6.033 0 40 FKAB O=C(/C=C/c1c(F)cccc1F)N[C@H](c1ccc(F)cc1)c1cccs1 58368307 OUAAVCBQXZPYRU-CTDFXDFQSA-N 373.399 5.084 0 40 FKAB Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)O 71084650 NWDAFWBFAHCYKV-UHFFFAOYSA-N 373.408 5.054 0 40 FKAB O=C(Nc1c(F)cccc1F)N1CCC[C@@H]1Cc1cccc2ccccc12 84598380 GSHYMPJUDMJVBM-QGZVFWFLSA-N 366.411 5.357 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 100075666 IUOVUHKJLLXHLL-IMUUNTMGSA-N 364.316 6.261 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915045 CLPGKLFDFQUHLE-FTQGCKHGSA-N 360.538 5.166 0 40 FKAB biogenic C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc2c(c1)CCC2 223155209 ZHQUWDFRIFKSRF-BXDFRRGMSA-N 357.453 5.186 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC 224437059 GIJYTTJBTFUDFG-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB S=C(NCCSCc1ccccc1Cl)Nc1ccccc1Cl 225295360 OOZCMFFUCDRFAE-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544415 YMRSFPSSOJYQBL-UHFFFAOYSA-N 369.480 5.701 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3ccccc3Cl)CCCC2)cc1 225844064 RRXKRHZWMVUMLH-UHFFFAOYSA-N 374.937 5.495 0 40 FKAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccccc1 408561074 GHOJVPVHZQWDKA-XDOYNYLZSA-N 370.905 5.193 0 40 FKAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(CCC2CCCC2)n1 585265000 DNTSVIFWMFIEPY-UHFFFAOYSA-N 353.462 5.357 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1 896238 WIZCCHMDPOFGPJ-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Cc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1 951464 ZHBSMDIDOBUJIN-QPJJXVBHSA-N 363.269 5.563 0 40 FKAB Cc1cccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c1C 1064315 UAYSQJFVCBYQOC-CORXRNQCSA-N 367.492 5.785 0 40 FKAB CC(C(=O)Nc1ccccc1OC(F)F)(c1ccccc1)c1ccccc1 1255734 WLCRSDJWPKZIAP-UHFFFAOYSA-N 367.395 5.233 0 40 FKAB CCN(CC)C(=S)C(C)=C(Sc1ccccc1)Sc1ccccc1 1584745 CTZYRAPEYLCNNK-UHFFFAOYSA-N 373.612 6.472 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4cccc(F)c4)c23)cc1 2415234 NQYUZGNOOJGXPY-UHFFFAOYSA-N 366.486 6.098 0 40 FKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 3404042 QBECSVPGZIQUES-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1nc2c(s1)CCc1ccccc1-2 4070840 COAXAHGPRSMYKI-UHFFFAOYSA-N 370.477 5.243 0 40 FKAB Cc1cccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 4988511 QDZTWMCYWGSQPX-UHFFFAOYSA-N 358.397 5.070 0 40 FKAB Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)n2c(nc3ccccc32)N1 5461698 HSXOJTIRUURAJV-PZJWPPBQSA-N 359.860 5.836 0 40 FKAB CCNC(=O)/C=C(C)\C=C/C=C(C)/C=C\c1c(C)cc(OC)c(C)c1C 5650407 IYIYMCASGKQOCZ-OLSVHHFRSA-N 353.506 5.219 0 40 FKAB Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)nn2c(C)c1Cl 5754145 TYVHHDPEIQUUKY-UHFFFAOYSA-N 356.882 5.136 0 40 FKAB Oc1c(Cl)cc(Oc2c(Cl)cc(Cl)cc2Cl)cc1Cl 5783939 BGNQVNNTALZUMT-UHFFFAOYSA-N 358.435 6.452 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2c(C)cccc2C)cc1 6207673 LCAZLSMUGDVDAD-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 6635486 HYCLXFITUHYGLI-WJDWOHSUSA-N 361.850 5.436 0 40 FKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 6747619 CTWLIAYEXMSSPO-UHFFFAOYSA-N 365.448 5.559 0 40 FKAB CCC(=O)Nc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 6782835 RSCYMBLTZFCWOL-UHFFFAOYSA-N 373.481 6.055 0 40 FKAB Cc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1 6866994 UMTNLSQJQOESET-UHFFFAOYSA-N 351.258 5.093 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21 7093136 RFGHXGTYQCSTLC-NVGCLXPQSA-N 359.347 5.230 0 40 FKAB C[C@H](NC(=O)CSc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 7416355 VSKHNKPFBMWEFS-NSHDSACASA-N 363.841 5.195 0 40 FKAB CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1cccs1 7538204 GCQGIVUSDDCJSY-UHFFFAOYSA-N 367.514 5.324 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 8049218 PPJKDWGZPKWJEJ-OAQYLSRUSA-N 373.496 5.300 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1 8477827 BLSSVJRJIXCBJF-NSHDSACASA-N 372.679 5.670 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)cc1 8812537 OLHFAHOPQKQXFK-UHFFFAOYSA-N 358.894 5.980 0 40 FKAB CC[C@@H](C)c1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12553329 XOFXTHHQPUGRQH-YPMHNXCESA-N 355.507 5.288 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1SCc1ccccc1 20050126 CXCVNQGCFJGKJC-JOCHJYFZSA-N 373.521 5.786 0 40 FKAB C[C@H](NCc1c(-c2ccccc2)nc2ccccn12)c1ccc(Cl)cc1 25046222 YLJQNLYDIFTVFZ-INIZCTEOSA-N 361.876 5.506 0 40 FKAB O=C(Oc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21 27529770 BJICBLMMTYZFKB-UHFFFAOYSA-N 369.445 6.642 0 40 FKAB in-vivo Cc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCCC3)cc1 27584941 LMWSAXNMNRECDP-UHFFFAOYSA-N 368.484 5.636 0 40 FKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1F 31182629 TUTMKJWNPABTMA-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CCSCc1cccc(Cl)c1 32778650 TZIGZOFOVRJCHD-UHFFFAOYSA-N 370.301 5.264 0 40 FKAB O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccccc1-c1ccccc1 70036878 UIESHNIIKUHFEH-UHFFFAOYSA-N 360.432 5.345 0 40 FKAB Oc1cccc2nc(N3CCCC3)c(-c3cccc(C(F)(F)F)c3)cc12 71789068 WDUBNTSLMNEHKF-UHFFFAOYSA-N 358.363 5.226 0 40 FKAB CC(=O)N(C)c1cccc(NCc2ccc(-c3ccccc3Cl)o2)c1 72927936 NNWGUGRPBKPZTI-UHFFFAOYSA-N 354.837 5.195 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CCCc2ccccc21 113950565 CVTOBJOLLVPBBK-XZOQPEGZSA-N 359.469 5.191 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223096173 KFRLLSXPIQMPAJ-JTSKRJEESA-N 365.517 5.163 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC(C)C)cc1 223435841 ZKSZILIGSYNNFI-QFIPXVFZSA-N 367.489 5.149 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc2c(c1)oc1ccccc12 224939878 JFPPOKYREAEGTQ-UHFFFAOYSA-N 365.432 6.311 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 225149162 IVBGNTHYQOSTMV-LJQANCHMSA-N 364.533 5.116 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535203 VXRHTYFMGTWZAO-LJQANCHMSA-N 365.517 6.013 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccccc2-c2ccccc2)cc1C(C)C 225661285 VJNVBVXWQREWCL-UHFFFAOYSA-N 359.469 6.046 0 40 FKAB COc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1Cl 225760647 DVCLTQCDHIHWLF-SFHVURJKSA-N 362.926 5.341 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)cc1C 408528559 JDGDPQGHLKTRHR-UHFFFAOYSA-N 354.409 5.133 0 40 FKAB COC(=O)c1ccc(Cl)cc1-c1ccc(-c2nc3ccccc3s2)o1 409195600 RBUQRONSNLULBI-UHFFFAOYSA-N 369.829 5.663 0 40 FKAB Cc1cccc(NC(=O)COc2cccc(CNc3ccc(C)c(C)c3)c2)c1 409254399 DEUDLOKLPDREBO-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB c1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 710198 GWKVWRRIHYTOMS-UHFFFAOYSA-N 364.448 5.817 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1 793673 HDMOBOWMGHAKGJ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(F)cc1 878104 OSZWJIXPJAVAHJ-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB CCC(=O)c1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 1837960 RNLBKLAVQNBBAR-UHFFFAOYSA-N 366.501 6.094 0 40 FKAB CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2c1cc(O)c1ccccc12 2282489 XNGUBIOVOMKPJE-UHFFFAOYSA-N 359.425 5.283 0 40 FKAB biogenic O=C(CSc1ccccc1Cl)NC(c1ccccc1)c1ccccc1 3260240 RDMJBQZAIFFLRO-UHFFFAOYSA-N 367.901 5.338 0 40 FKAB Cc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1C 4224452 QRTZGWWQDGLXQH-UHFFFAOYSA-N 369.534 5.145 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 4504564 PLCYSHSYIKEARR-UHFFFAOYSA-N 367.876 6.503 0 40 FKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C 4712851 ZOERYLZCLDLETJ-TZYAJKAJSA-N 365.561 6.046 0 40 FKAB Cc1cccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c1 4971318 YVRZAESOSOLROC-UHFFFAOYSA-N 364.445 5.451 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3c(C)cccn23)c(C)c1 5454948 WCXUKUWXIDIYSW-UHFFFAOYSA-N 366.468 6.151 0 40 FKAB CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCCS1 5513401 YCNTYPIGYVTFBO-JKSUJKDBSA-N 374.590 7.121 0 40 FKAB in-man Cn1cccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 5578012 YZEGQJSPXSYWNC-UHFFFAOYSA-N 373.506 5.833 0 40 FKAB O=C(O)C/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 6047775 XMXKKWADIJQJPY-XYOKQWHBSA-N 363.360 5.330 0 40 FKAB Cc1noc(C)c1CSc1nnc(-c2ccc(F)cc2)c2ccccc12 6587404 VZTULJLRSOWWTH-UHFFFAOYSA-N 365.433 5.333 0 40 FKAB CCOC(=O)COc1ccc2ccccc2c1-c1nc2ccccc2s1 6955081 UDCZBNLPXKFVHP-UHFFFAOYSA-N 363.438 5.058 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1cccc(C)c1 7523501 JJCCEMFNORQETQ-UHFFFAOYSA-N 367.533 5.785 0 40 FKAB Cc1ccc(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1Cl 7989381 CTRIGOLJDSONFC-VAWYXSNFSA-N 365.864 5.103 0 40 FKAB O=C(Nc1ccc(CN2CCCCC2)cc1)C1(c2ccccc2)CCCC1 10372781 JYABROBMHJWGLT-UHFFFAOYSA-N 362.517 5.123 0 40 FKAB Cc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)cnn1-c1ccccc1 10406465 QTCWSXOIEGRDQT-UHFFFAOYSA-N 361.489 5.680 0 40 FKAB SC1=N[C@H](c2ccccc2)C2=C(N1)C(=C1SCCCS1)CCC2 13878971 JWZHTJMCSZBAJI-OAHLLOKOSA-N 360.573 5.136 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2ccc(F)cc2)CC(=O)N3)C1 15106876 FQWMVDWYQRRAQL-CJNGLKHVSA-N 357.494 5.512 0 40 FKAB CN(C(=O)c1ccccc1F)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835601 ZVZOTNZGFIERAU-HXUWFJFHSA-N 364.445 5.230 0 40 FKAB COc1cccc2cc(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)oc12 20105364 RQCLGSWKOHXHTI-JOCHJYFZSA-N 371.436 5.269 0 40 FKAB C[C@H](NC(=O)c1occc1COc1ccccc1)c1cccc2ccccc12 22277984 SHDCIXNKVSKMPH-KRWDZBQOSA-N 371.436 5.503 0 40 FKAB O=C(Nc1cccc2ccccc12)N(Cc1cccs1)C[C@@H]1CCCO1 22357853 XYTOCACRGXVAEX-KRWDZBQOSA-N 366.486 5.114 0 40 FKAB Clc1ccccc1-c1ccc(CNC[C@H](c2ccco2)N2CCCC2)o1 22933782 UTFUHHIUCFMCIT-LJQANCHMSA-N 370.880 5.120 0 40 FKAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2ccnc2)cc1 23845515 HCQBIDBCDNBLFE-NSHDSACASA-N 366.774 5.113 0 40 FKAB Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(OCc2ccccc2)cc1 24970872 NQXWLGFQHZOQML-UHFFFAOYSA-N 370.452 5.237 0 40 FKAB O=C(Nc1onc2c1CCCC2)c1sc2cc(Cl)ccc2c1Cl 27756221 YVJDBXJMFCJGCN-UHFFFAOYSA-N 367.257 5.327 0 40 FKAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4ccccc4)cc3)c12 36614020 JKFVDZOQHVNMDL-UHFFFAOYSA-N 369.424 5.328 0 40 FKAB CSc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44838027 KHLDALJWQWNYGI-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 44883651 KVSUTLPFERXYMI-DEOSSOPVSA-N 373.496 5.879 0 40 FKAB CSc1sc(C(=O)c2ccccc2)c(N)c1-c1ccc(Cl)cc1 45028180 LPZGHWYSYXHZRL-UHFFFAOYSA-N 359.903 5.604 0 40 FKAB CCOc1ccc2nc(SCc3c(C)[nH]c4ccccc34)sc2c1 59417494 WXKLLZDSTLSALP-UHFFFAOYSA-N 354.500 5.777 0 40 FKAB Cc1ccsc1-c1cccc(NC(=O)c2sccc2OC(F)F)c1 78505296 VOOGXEQOXYZTJZ-UHFFFAOYSA-N 365.426 5.639 0 40 FKAB Cc1ccc(O)c(CN[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 106489140 FHDGPTUGIMMGDN-LBPRGKRZSA-N 373.909 5.032 0 40 FKAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O)SCCS3 118919306 AZGUMZVYIIAYNT-HSXTZPDUSA-N 366.636 5.566 0 40 FKAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C(C)(C)C)cc1 222796434 OSAIWNKAVQEXEL-KRWDZBQOSA-N 367.533 5.538 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1C(C)C 223273350 ZTUMYHCEUAYEDA-DXRVJIQQSA-N 351.490 5.326 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465241 GZLKGXOWOHOSQB-LPHOPBHVSA-N 359.897 5.300 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COCC(C)C 224735775 TXBAQVMEPUYMNF-UHFFFAOYSA-N 355.478 5.127 0 40 FKAB COc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1OC 225763911 SIAJHGFRIDVDGV-HXUWFJFHSA-N 372.534 5.004 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225906349 IBTCWRYLRVITDA-QFIPXVFZSA-N 372.509 5.194 0 40 FKAB Cc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 226299413 OSFKLUYXKZSTJM-UHFFFAOYSA-N 364.301 5.303 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 250576620 PANYVYRJTHKGSX-YTQSOXLISA-N 361.485 5.805 0 40 FKAB CCOc1cc(/C=C/C(=O)Nc2ccc([C@@H](C)CC)cc2)ccc1OC 408600973 HYKSAZANZZTRBP-SBNBMVPLSA-N 353.462 5.259 0 40 FKAB Cc1ccc(-c2cc(N)n(-c3c(Cl)cc(Cl)cc3Cl)n2)cc1 408948356 FRXIRDBRGRSJQU-UHFFFAOYSA-N 352.652 5.390 0 40 FKAB CCCn1c(SCc2ccc3ccccc3c2)nnc1-c1ccncc1 409094650 FISMXIPWCHDQSF-UHFFFAOYSA-N 360.486 5.196 0 40 FKAB Cc1ccc(OC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 642753 WCRMNZYHDADWPR-JTQLQIEISA-N 359.636 5.328 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc(F)cc2)cc1 825779 ULGPZRXNYAPPET-QFIPXVFZSA-N 359.444 5.387 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1 933358 HSTJKFNENZUFQS-UHFFFAOYSA-N 362.429 5.082 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(Cl)c1C 949550 NJESYYXXUWHKGQ-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB CCN(CC)c1nc(-c2ccc(Cl)cc2)nc2c1oc1ccccc12 2355493 WPYFDMIJYZTCGY-UHFFFAOYSA-N 351.837 5.543 0 40 FKAB COc1ccc(C(=O)O[C@H](c2ccccc2)c2nccc3ccccc23)cc1 2708387 BABTUKLVYQJPRT-HSZRJFAPSA-N 369.420 5.190 0 40 FKAB CSc1ccc(Cl)c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 3341386 MSHNHVROKMPAGQ-UHFFFAOYSA-N 361.677 5.726 0 40 FKAB COc1ccc(-c2nc(NC(=O)CCCc3cccs3)sc2C)cc1 3388764 PCFRENZTHDJVNP-UHFFFAOYSA-N 372.515 5.150 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4070760 KAASKSVTHCKDCH-BZIXAJQCSA-N 373.518 6.008 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cccc2ccccc12 4503162 ABSLIIHSPASDSG-UHFFFAOYSA-N 352.393 6.383 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 4898345 WPGSJVUKSMYCJB-RXOJSBQBSA-N 357.497 5.232 0 40 FKAB CC(=O)NCC[C@H]1[C@@H](c2c(C)n(Cc3ccccc3)c3ccccc23)C1(C)C 5484725 RHNGAHSUYWFDQN-URXFXBBRSA-N 374.528 5.264 0 40 FKAB CCCCN(C)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5503290 IKVXTXZCNVTQGU-UHFFFAOYSA-N 369.470 6.740 0 40 FKAB CC(C)c1ccc2c(c1)C(c1cccc(Cl)c1)=NNC(c1ccncc1)=N2 6190901 JZHXIWHOBRKTGP-UHFFFAOYSA-N 374.875 5.292 0 40 FKAB O=C(CCCc1nc2ccccc2s1)N1CCC[C@H]1c1cccs1 6608225 SYPZUUQREDYAFS-HNNXBMFYSA-N 356.516 5.044 0 40 FKAB Cc1ccc(-c2c(NC(=O)C(C)C)oc3ccc(Cl)cc3c2=O)cc1 6759508 CAVLHPUTVOBBFD-UHFFFAOYSA-N 355.821 5.016 0 40 FKAB CC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 6784609 IAMMWRRKYOXDJW-UHFFFAOYSA-N 361.470 5.442 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@@H]21 7097130 MCAWNCKKIGGCPS-AXHZCLLHSA-N 367.448 5.878 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2F)c2ccccc2)cc1 7593582 UOKPUNLEVBGVOY-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1SCc1ccccc1 7684521 YYXOTGCRMKXUHQ-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB COc1ccccc1[C@@H](CCN[C@@H](C)c1cccs1)c1ccccc1 9547980 YCLCFBSSPRTVOW-HKUYNNGSSA-N 351.515 5.630 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 10364884 QQHFRGNQCIQFCB-UHFFFAOYSA-N 370.707 6.342 0 40 FKAB O=C(Cc1ccsc1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185462 FXNLKJZHRDQGIT-INIZCTEOSA-N 372.515 5.151 0 40 FKAB Cc1ccc(N(Cc2nc3ccccc3nc2C)C(=O)c2ccccc2)cc1 16292593 KIUZPMJKGIOEIP-UHFFFAOYSA-N 367.452 5.094 0 40 FKAB Fc1c(Cl)cccc1NC(=S)Nc1cccc(Br)c1 16943284 RDJMWXHFPWWDEI-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(F)cc3)n2)c1 17076579 QIYOVZAGBLEZPR-UHFFFAOYSA-N 374.415 5.363 0 40 FKAB COc1ccc([C@@H](NC(=O)c2cc(Cl)ccc2Cl)C(C)C)cc1 18087695 VFZUZDZKYXXTND-KRWDZBQOSA-N 352.261 5.129 0 40 FKAB COc1cc2c(cc1NC(=O)Nc1cccc(F)c1)oc1ccccc12 20228801 HVONUYMQPXHERH-UHFFFAOYSA-N 350.349 5.378 0 40 FKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1cccs1 27922665 SIJHTLLSEGTRIN-UHFFFAOYSA-N 361.470 5.015 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc(C)c1Cl 40913264 PRNXMECILOYMTA-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 44947522 QFGABLMNRQOLLT-HNNXBMFYSA-N 373.518 5.166 0 40 FKAB CCCCCn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67259021 PCHZNJMXRUSVKH-UHFFFAOYSA-N 374.456 5.157 0 40 FKAB FC(F)(F)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 67321784 VCEMHYKFCMZGJC-UHFFFAOYSA-N 354.784 6.226 0 40 FKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)n1 170564604 HLVQAPHJWKPQTN-UHFFFAOYSA-N 368.440 5.243 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc2ccccc2c1 222788708 MBWKSLSMFQNXQP-QGZVFWFLSA-N 355.437 5.077 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 222891596 NBQSBKIQOTXLMC-VGOFRKELSA-N 367.533 5.581 0 40 FKAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc(C)c1Cl 222956350 QFOYAMVSQCBBDW-INIZCTEOSA-N 371.908 5.092 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969505 BEZWOFIORYCWAL-MGPUTAFESA-N 371.908 5.254 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCCC2)c1 225509034 WAXWYQKZTYGOBA-UHFFFAOYSA-N 351.490 5.480 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccc(-c2ccc(F)c(Cl)c2)o1 408623217 RQLDMAINODIENH-UHFFFAOYSA-N 365.791 6.145 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)c1 408993923 DUAISZKRIPTSND-AKFKNWHVSA-N 369.464 5.473 0 40 FKAB CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1cccc(C)c1 409112132 FBNOYIKKVHDJMR-UHFFFAOYSA-N 372.559 5.519 0 40 FKAB CC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 834963 ITDQIXONUYZLLL-UHFFFAOYSA-N 368.230 5.057 0 40 FKAB CCc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 863023 AUQJDZXYBZTSCB-UHFFFAOYSA-N 350.270 6.023 0 40 FKAB Cc1ccccc1NCn1nc(-c2ccc(Cl)cc2Cl)oc1=S 1022568 CNQSVSUVBHJMDC-UHFFFAOYSA-N 366.273 5.557 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc2ncc(C(F)(F)F)cc2s1 1397156 KJDSVFZFDBTZLX-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1cccc(C(F)(F)F)c1 2557600 WHCKYLSJQVFNFS-UHFFFAOYSA-N 370.438 5.833 0 40 FKAB Clc1ccc(COn2c(-c3ccccc3)nc3ccccc32)cc1Cl 3052815 XVEINYGCYSXQFL-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 3280029 HCTAGSFBARGSGB-UHFFFAOYSA-N 356.343 5.900 0 40 FKAB CCc1cccc(C)c1NC(=O)COc1ccc(Oc2ccccc2)cc1 3358211 SVWLJKLOXIRNCK-UHFFFAOYSA-N 361.441 5.367 0 40 FKAB Clc1cccc(CSC2=Nc3cc(Cl)ccc3SCC2)c1 4042763 OSFTUDGAIHFEQA-UHFFFAOYSA-N 354.327 6.453 0 40 FKAB CC(C)(C)N1C[C@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 4127697 XMFSKUXGHWGRAM-ZEQRLZLVSA-N 369.508 6.008 0 40 FKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc4ccccc24)N3)C1 4545479 ILAJTFROHWFNHI-RBZFPXEDSA-N 362.498 5.845 0 40 FKAB Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3ccc(Cl)cn23)cc1 4733958 FHASLYLVBUVIQP-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB CCCC[C@@](O)(c1ccccc1)[C@H]1CN(C(C)(C)C)[C@@H]1c1ccccc1 5045991 JGHGHADLIVEPGD-WMTXJRDZSA-N 351.534 5.536 0 40 FKAB Cc1ccc(-c2nc3c(c(SCCC(C)C)n2)COC(C)(C)C3)cc1 5322259 QAYUUJXFGASVRO-UHFFFAOYSA-N 356.535 5.442 0 40 FKAB Fc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1C1CC1 5333348 JMLIGJLPLORMJQ-RMKNXTFCSA-N 351.450 5.225 0 40 FKAB COc1ccc(-c2csc(/C=C/c3ccccc3Cl)n2)cc1OC 5415950 KKSIKMZPRMOMTK-CSKARUKUSA-N 357.862 5.651 0 40 FKAB Fc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 5462214 JNZGJCKYOYGQOC-TZIWHRDSSA-N 361.395 5.461 0 40 FKAB CCCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1O 5904264 IPOZGXINOBNSMU-UHFFFAOYSA-N 351.427 5.036 0 40 FKAB biogenic Fc1ccc(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 7524519 ZIKWPUFVUSWTFR-UHFFFAOYSA-N 350.220 5.682 0 40 FKAB Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccccn2)c1 8435786 XVGBEGJIEYNZAE-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB COc1cccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1 8940929 JLYGCGNNZGSMKD-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 9061569 DIHQGDYVGWBMPR-UHFFFAOYSA-N 369.852 5.085 0 40 FKAB COc1ccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)cc1Cl 9595786 SWIJNTZVKSLEGH-MRZGDXHCSA-N 361.894 5.122 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 10111754 MJGWMHDBLYGKMB-GOSISDBHSA-N 369.574 5.712 0 40 FKAB CCOc1ccc2c(c1)sc1nc(-c3ccc(-c4ccccc4)cc3)cn12 12601562 FQNRHYPMMKMIBW-UHFFFAOYSA-N 370.477 6.282 0 40 FKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Cl)cc1Cl 12807806 JEHXESVYNMQLFP-UHFFFAOYSA-N 361.228 5.138 0 40 FKAB CC1CCC(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 12808477 PJQXYRVEVSCEGJ-GQGLESIBSA-N 356.535 5.265 0 40 FKAB Cc1cc(C)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 12872377 XTGKKYFGGMRTMV-IBGZPJMESA-N 353.512 5.214 0 40 FKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 13030901 ZHLXTYWXOGKKHW-FQEVSTJZSA-N 368.524 6.435 0 40 FKAB COc1cc(C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12 13121847 UEWXPPBEFSTYNS-UHFFFAOYSA-N 358.397 5.112 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccccc1OCc1ccccc1 14035490 PNZIRUJHDULYHP-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 30860914 SZSJSLIFWYCYEV-ISKFKSNPSA-N 373.496 5.367 0 40 FKAB CCCC/N=C1\S/C(=C/c2cccc(Cl)c2)C(=O)N1CCCC 35042021 PZMLQIRUJHNDTC-LDORSNRDSA-N 350.915 5.213 0 40 FKAB c1ccc(S[C@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 36624790 VKOWNSAQOQYERQ-SFTDATJTSA-N 374.534 5.892 0 40 FKAB Cc1cc(Br)c2oc(-c3cc(Cl)ccc3Cl)nc2c1 40542317 MVZGOOJNRAYINC-UHFFFAOYSA-N 357.034 5.873 0 40 FKAB COc1ccc([C@@H]2CN[C@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 83943987 SSRVTXWLYQYDND-NZQKXSOJSA-N 354.453 5.001 0 40 FKAB CC(C)c1nc([C@H](C)NCc2coc(-c3cccc(Cl)c3)n2)cs1 95941318 AQDIMZNCUJFVDT-LBPRGKRZSA-N 361.898 5.426 0 40 FKAB Cc1ccc(-n2cc(CNc3ccc(CN4CCC(C)CC4)cc3)cn2)cc1 141526154 PWJARQVWKNHSSE-UHFFFAOYSA-N 374.532 5.025 0 40 FKAB C[C@@H]1CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(Cl)cc21 223238424 XZRRKSZBYVYRNM-SNVBAGLBSA-N 358.707 5.132 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COCC(C)C 224736226 YZLJSYBNZWLSJR-UHFFFAOYSA-N 355.478 5.073 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(Cl)cc1 225263567 APECPUCHXMNVKT-NRFANRHFSA-N 371.908 5.035 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2)cc1Cl 225597293 NOSBRHXCBNXAJE-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225841857 JBUBZMKJJREYGT-QGZVFWFLSA-N 361.404 5.028 0 40 FKAB Cc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1F 408626154 ZNKGOQFYALALIX-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB Clc1ccc2c(c1)nc(-c1cccnc1Cl)n2Cc1ccccc1 1405215 ZZQBGTKKXAFPGQ-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C)cc1C 1772959 IHJUBQAHWBAAPK-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(OC)cc3)c2c1 1892355 QAPYUHSVVKHEFI-YYDJUVGSSA-N 355.437 5.903 0 40 FKAB CCOc1cc(C(=O)Oc2c(C)ccc(C)c2C)cc(OCC)c1OCC 3248134 VDMQCNJQSDMDGW-UHFFFAOYSA-N 372.461 5.027 0 40 FKAB CCc1ccc2c(CC(=O)Nc3nc4c(C)cccc4s3)coc2c1 3330494 PISOKKMMPDXAJW-UHFFFAOYSA-N 350.443 5.095 0 40 FKAB Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 3428779 KDUBZDJBZDGGKM-AWEZNQCLSA-N 354.500 5.238 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)NC2CCCCC2)C1(C)C 3765651 RDHFSJCOCFEYPV-RXVVDRJESA-N 367.537 5.238 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4538924 ATHHRYSPAHMUEJ-UHFFFAOYSA-N 359.425 5.727 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)o2)N3)C1 4553463 XKBGTQQOAVFWSI-SJCJKPOMSA-N 358.507 5.620 0 40 FKAB Cn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1Cl 4790919 ZBXITPBPCGXPMS-UHFFFAOYSA-N 370.330 5.067 0 40 FKAB Cc1cccc(NC(=S)N(CCc2ccccc2)Cc2ccccc2)c1C 5127234 JOMKDHCXPPAYAB-UHFFFAOYSA-N 374.553 5.745 0 40 FKAB COc1ccccc1N=[P@@](c1ccccc1)(N1CCCCC1)C(C)(C)C 5496525 GMOYQKZANKMZAB-SANMLTNESA-N 370.477 6.053 0 40 FKAB Cc1ccc(Sc2nc(-c3ccccc3)nnc2-c2ccccc2)cc1 5617784 MDJLKLDHQXGVMK-UHFFFAOYSA-N 355.466 5.665 0 40 FKAB CCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 5808010 CTURWPCDGXHEDA-UHFFFAOYSA-N 368.550 5.529 0 40 FKAB O=C(OCc1c(Cl)cccc1Cl)c1c2c(nc3ccccc13)CCC2 5966216 VKPHWNJDTXRMCQ-UHFFFAOYSA-N 372.251 5.387 0 40 FKAB Cc1ccc(-c2nc(C(=O)NCCC(C)C)cc3c2[nH]c2ccccc23)cc1 6087995 YBCSUYKFRVGWOP-UHFFFAOYSA-N 371.484 5.467 0 40 FKAB biogenic Clc1ccc(OCCCN2CCCC[C@@H]2c2cccnc2)c(Cl)c1 6719119 VPBSXDDNAFBEME-GOSISDBHSA-N 365.304 5.385 0 40 FKAB biogenic S=C(Nc1nc2ccccc2s1)Nc1ccc(Cl)cc1Cl 6865000 BFKSQNPPYNJJPR-UHFFFAOYSA-N 354.287 5.412 0 40 FKAB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccccc1C(=O)O 6962518 RANCMXWMUQBWEL-MYYYXRDXSA-N 368.436 5.696 0 40 FKAB O=C(NC1CC1)[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 6989775 DRNJGNLXVLYOEW-MRXNPFEDSA-N 370.663 5.046 0 40 FKAB Cc1ccc(NC(=S)N(C(=S)Nc2ccc(C)cc2)C(C)(C)C)cc1 8048452 JVPCEGCCZQZINO-UHFFFAOYSA-N 371.575 5.498 0 40 FKAB COc1cccc(CNCc2ccccc2)c1OCc1ccc(Cl)cc1 8495329 QZJVYMAXOLBQIL-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)cc1 11916252 BMWYJBXEFFEGNB-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB Cc1ccc2c3c(sc2n1)-c1nc2ccccc2n1[C@H](c1ccco1)N3 12321726 JODKDVKLHNZMEM-GOSISDBHSA-N 358.426 5.187 0 40 FKAB Cc1ccccc1[C@H](C)NC(=O)c1ccccc1SCc1cscn1 12909393 WBVKFROGENUXDE-HNNXBMFYSA-N 368.527 5.235 0 40 FKAB Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)oc2c(Br)c1C 20156818 CRCANVVCZAJBAM-UHFFFAOYSA-N 371.061 6.181 0 40 FKAB CC(C)Oc1ccc(/C=C/C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 20549896 YRDBMRYKRPEUAK-PPKDZOKLSA-N 367.533 5.208 0 40 FKAB CC[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 24252648 WWLJDEOHKCBSIP-HNNXBMFYSA-N 371.695 5.326 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 44900171 ZFVSTWRSFFBQBK-SFHVURJKSA-N 373.374 5.655 0 40 FKAB Clc1ccccc1CSc1nccn2nc(-c3cccs3)cc12 45925288 XDCUVVOQENZXBB-UHFFFAOYSA-N 357.891 5.404 0 40 FKAB Cn1c(-c2nnc(-c3ccco3)o2)ccc1-c1cc(Cl)ccc1Cl 67299910 FPILBSOFTRKSME-UHFFFAOYSA-N 360.200 5.309 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1Cl 107020430 ISPWELFFWNKYQI-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccco4)nn13)NC(C)(C)C[C@H]2C 575473272 PZMRPVSTLZWGGJ-CQSZACIVSA-N 373.460 5.057 0 40 FKAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 652774 DZSQCIKDSDEWOP-UHFFFAOYSA-N 364.514 5.977 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2c(Cl)cccc2Cl)c(C)c1 1048080 QSFRMMWAQYLGAK-UHFFFAOYSA-N 368.329 5.791 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc2ccccc12 1266879 LBMXSKYABDMXBE-MDZDMXLPSA-N 372.251 5.807 0 40 FKAB CC(C)(C)c1cc(CCCOCc2cccnc2)cc(C(C)(C)C)c1O 1536279 YNBBIPPQHYZTQF-UHFFFAOYSA-N 355.522 5.532 0 40 FKAB investigational Cc1cc2c(=O)cc(-c3ccc(Cl)c(Cl)c3)oc2c(C(=O)O)c1C 1618458 REOVLQZKPJLXPD-UHFFFAOYSA-N 363.196 5.082 0 40 FKAB CC(=O)Oc1ccc(C(=CC(C)(C)C)c2ccc(OC(C)=O)cc2)cc1 1643967 RCLUNYSSRVOIHZ-UHFFFAOYSA-N 352.430 5.015 0 40 FKAB CCCCCc1ccc(-c2ccc(C34CCC(CC)(CC3)CC4)cc2)nc1 2068650 HOKBINGJGYPYGY-UHFFFAOYSA-N 361.573 7.483 0 40 FKAB Cc1ccc2c(CC(=O)Nc3nc(-c4cccs4)cs3)coc2c1 2652871 YVKYLGKYURCRPX-UHFFFAOYSA-N 354.456 5.107 0 40 FKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccccc1 3002561 YZUDNJRBAQIQNX-WYMLVPIESA-N 370.477 5.924 0 40 FKAB CN(C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccccc1 3287326 OQGCLPMRNAVEBI-UHFFFAOYSA-N 370.688 6.138 0 40 FKAB CCOc1ccccc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 4190441 GRNQGTVQXSKFII-UHFFFAOYSA-N 355.437 5.265 0 40 FKAB Clc1ncccc1-c1nnc(C2c3ccccc3Oc3ccccc32)o1 4280723 LCPOIAIMZRGJHC-UHFFFAOYSA-N 361.788 5.071 0 40 FKAB Cc1cc(C)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(C)c1 4361247 VAJNDEPIEXFDML-WMZHIEFXSA-N 374.509 5.916 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3F)C2)cc1 4981628 VUADSUKEFCGGSV-IBGZPJMESA-N 364.445 5.187 0 40 FKAB Clc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 4985519 KNSJUBLIVNBROU-UHFFFAOYSA-N 355.894 5.150 0 40 FKAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 5461572 MHVFYFSNWRTKAU-RBBKRZOGSA-N 373.887 6.144 0 40 FKAB COc1ccccc1N=[P@](c1ccccc1)(N1CCCCC1)C(C)(C)C 5496450 GMOYQKZANKMZAB-AREMUKBSSA-N 370.477 6.053 0 40 FKAB CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(C)cc1 6169116 FLPSMYKHKWEMFD-UHFFFAOYSA-N 367.518 5.095 0 40 FKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCC)C1=O 6323461 BTNJOJUQHUWVOR-RGEXLXHISA-N 369.486 5.465 0 40 FKAB COc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)nc2c1 6426622 JVSJTFKQTMFIKS-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 6819383 KOUGJIOLVRHYQJ-OAHLLOKOSA-N 371.502 5.034 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CNC2C3CC4CC(C3)CC2C4)o1 7538768 WRDMWJJIFUWJSG-UHFFFAOYSA-N 355.909 5.823 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 8391521 PYIRUGNLJSJQPM-OAHLLOKOSA-N 372.896 5.002 0 40 FKAB CC(C)c1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 10186202 PKMZCLCZMNUTLQ-JOCHJYFZSA-N 364.514 5.189 0 40 FKAB Cc1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 10692839 FZIKFVQZEFCXGT-NRFANRHFSA-N 354.453 5.038 0 40 FKAB COc1ccc(-c2cc(=O)c3ccc(OCc4ccccc4)cc3o2)cc1 11865332 AKECFOUZFWPYLS-UHFFFAOYSA-N 358.393 5.048 0 40 FKAB biogenic CCc1cc(-c2nnc(SCc3c(F)cccc3Cl)n2C)cs1 14000467 UIWFDUOVVHVGRW-UHFFFAOYSA-N 367.902 5.191 0 40 FKAB Fc1ccc(-c2cnc(SCc3coc(-c4ccccc4)n3)o2)cc1 14803659 FYNHRSMKUTVNDW-UHFFFAOYSA-N 352.390 5.428 0 40 FKAB C=Cc1ccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1 17076205 ZKEOUVLOXXIKOB-UHFFFAOYSA-N 372.418 6.187 0 40 FKAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 22072708 QKJBSLACWOCCHX-UHFFFAOYSA-N 355.800 5.178 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNC2CCCCC2)cc1 22073957 UKSLYLTZVRISLM-UHFFFAOYSA-N 364.316 5.995 0 40 FKAB O=C(CCc1ccccc1F)N1CCCC[C@@H]1c1nc2ccccc2s1 24386613 SGRRUMCGJMSHJE-GOSISDBHSA-N 368.477 5.122 0 40 FKAB O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 40017284 BLIVIDNZDPABLD-QHCPKHFHSA-N 359.400 5.020 0 40 FKAB CC(C)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C 72213045 YAKAAFFUJZISGS-GOSISDBHSA-N 361.530 5.167 0 40 FKAB CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215877 WXOQAVYVDKCOJX-LJQANCHMSA-N 367.493 5.312 0 40 FKAB CCc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 72314278 FTSRWMFYQVCKLM-LJQANCHMSA-N 374.488 5.051 0 40 FKAB OC[C@H](Cc1nc2ccccc2s1)C1c2ccccc2-c2ccccc21 85388844 LFMLESSQDUTBCS-HNNXBMFYSA-N 357.478 5.260 0 40 FKAB CCOc1cccc2cc([C@H](C)N[C@H](C)c3cn(C(C)(C)C)nc3C)oc12 97016454 SXBPMYYZBACFJY-ZBFHGGJFSA-N 369.509 5.503 0 40 FKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(F)c1 224955032 VWOCMQRICFPSLJ-UHFFFAOYSA-N 351.446 5.679 0 40 FKAB Cc1cc(C)cc(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)c1 225109676 ANZVLXHFXLFLHX-QFIPXVFZSA-N 362.425 5.170 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1C 225757762 KJGQVWGETBDBLO-INIZCTEOSA-N 352.425 5.452 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OCC 408568060 SBWXUGMPUXDKSQ-ZRDIBKRKSA-N 359.853 5.179 0 40 FKAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 408733782 QPQUMLAAOUBLNN-QHCPKHFHSA-N 356.469 5.637 0 40 FKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409057614 KFESSMIRHQVWJG-WJDWOHSUSA-N 361.850 5.436 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 409112736 CIXGVMUDDZUGIR-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccccc1 409112899 GXSUSRLNBVXMKC-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB CCCCCN1C(=O)S/C(=C\c2c(OCC)ccc3ccccc23)C1=O 409217155 SQTDLIYQFZGAHF-RGEXLXHISA-N 369.486 5.465 0 40 FKAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cnccc1Oc1ccccc1 667691387 ZMJCBKSZQYCWNE-IEBWSBKVSA-N 358.388 5.028 0 40 FKAB O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2ccc3ccccc3c2N1 792922 GUMMGLSSSZZSHJ-QHCPKHFHSA-N 365.432 6.106 0 40 FKAB Cc1nc(Nc2ccc(C(=O)O)cc2)c2cc(-c3ccccc3)sc2n1 955165 PPUYHVBZDQRSNF-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB COc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1506020 SXBZCSSIHIJYDZ-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB CC(C)(C)c1ccc(C(C)(C)C(C)(C)c2cccc(C(C)(C)C)c2)cc1 2187244 CJTUUTCFOBMCAQ-UHFFFAOYSA-N 350.590 7.537 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1C 2741870 UTCOOHMYFSZHKJ-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)cc1 3232741 RWBVXSBVOQJQPS-UHFFFAOYSA-N 365.860 5.011 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)CC4CCCC4)cc3)sc2c1 3258631 XGLCBWXEWLBSJM-UHFFFAOYSA-N 350.487 5.791 0 40 FKAB Cc1ccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)cc1 3912927 UEGVHSGSHZFLBJ-NTCAYCPXSA-N 356.400 5.004 0 40 FKAB CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 4082360 ZBPQBCXWLUSWGS-BOPJXXHASA-N 360.538 5.310 0 40 FKAB biogenic COc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2c(C)cccc2C)cc1 4156837 ADTGVCJCNYUAHB-UHFFFAOYSA-N 372.472 5.382 0 40 FKAB COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN21 4438534 PXWPTMQPXMKXRK-XUZZJYLKSA-N 370.452 5.246 0 40 FKAB CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1 4733774 LJZLKRZRJGQVPQ-UHFFFAOYSA-N 359.498 6.084 0 40 FKAB Cc1nc2ccccc2n1CC(=O)Nc1ccccc1Sc1ccccc1 5628043 PZFDKYCCOMPNRA-UHFFFAOYSA-N 373.481 5.135 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cccc(Cl)c1 6218288 YUALXQUODKRDKL-UHFFFAOYSA-N 370.817 5.569 0 40 FKAB O=C(OCCN1CCCC12CCCCC2)[C@@H](c1ccccc1)C1CCCC1 6581808 DKVGJXPJIJUMMN-QFIPXVFZSA-N 369.549 5.302 0 40 FKAB Clc1ccc(CSCCCSCc2ccc(Cl)cc2)cc1 6863296 NGDJLHSHLBPQDR-UHFFFAOYSA-N 357.371 6.550 0 40 FKAB Cc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 8007238 DBCSUFQYESVITF-UHFFFAOYSA-N 354.409 5.569 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)N[C@H](c1ccc(Cl)cc1)C1CC1 8275637 WSQYYJAMOXDLEJ-QFIPXVFZSA-N 366.892 5.412 0 40 FKAB C[C@@H]1CCc2nc3sc4c(c3c(-c3ccc(Cl)cc3)c2C1)CCC4 12610196 HXIWZKRWMHMRQK-GFCCVEGCSA-N 353.918 6.230 0 40 FKAB CCCCC1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1 15832451 JPTUKTWCJVTEGL-UHFFFAOYSA-N 356.535 5.423 0 40 FKAB Clc1ccc(/C(=C/CN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 17378389 RHKSEYVTQFZACE-TXSSHTDISA-N 351.921 5.894 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 20104722 ODMYRNNIMQVGNW-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB Cc1ccc([C@@H](NC(=O)CSCc2ccccc2)c2ccccc2)cc1 20486860 YADMGBARBUPLFN-QHCPKHFHSA-N 361.510 5.134 0 40 FKAB CC[C@@H](C)n1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21 21596600 WXXZHTVEINKPHZ-CYBMUJFWSA-N 364.474 5.178 0 40 FKAB O=C(c1ccc(F)cc1)N(Cc1cccc2ccccc12)c1ccccn1 27662931 YZXAEZSVLMOYBK-UHFFFAOYSA-N 356.400 5.221 0 40 FKAB O=C(O)/C=C/c1cc(Br)c(-c2cc(Cl)ccc2Cl)o1 40545080 JDKCIUDOTYNNRI-DUXPYHPUSA-N 362.006 5.114 0 40 FKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(Cc2ccccc2)c2ccccc21 49021290 UNRZIQVDVVUGOC-UQBPGWFLSA-N 370.496 5.580 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 59200375 UTGYMZAUDAYPOM-XWLABEFZSA-N 370.665 8.274 0 40 FKAB Cc1cc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)ccc1F 71326162 JRLQQMBVBRNLKD-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CCN(C(=O)Nc1ccc(F)cc1F)[C@@H](Cc1ccc(C)cc1)C1CC1 72303890 BZRSGDHWHRDOJQ-FQEVSTJZSA-N 358.432 5.148 0 40 FKAB Clc1ccc2[nH]c(-c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c1 85345320 ZUYNVUGEZKSWGN-UHFFFAOYSA-N 363.631 6.450 0 40 FKAB CCc1cc2c(N3CCCC[C@H]3c3nc4ccccc4o3)ncnc2s1 95446193 NQNAEPTXABLFQJ-INIZCTEOSA-N 364.474 5.127 0 40 FKAB Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)o1 118916287 ZMDCSLTVAOWENP-CGJVVYLUSA-N 368.561 6.375 0 40 FKAB biogenic CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 224473005 DVXYBYIKFPYJAC-QGZVFWFLSA-N 368.329 5.223 0 40 FKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1Cl 224916053 XGAQTVLKLUOHOD-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc2cc(F)ccc2s1 225651061 KRDYWOAXKOMACH-UHFFFAOYSA-N 368.458 5.094 0 40 FKAB Clc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccco2)cc1 254496321 XSZSPGUINNFXLF-UHFFFAOYSA-N 366.873 5.744 0 40 FKAB Cc1ccc(N=c2scc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 254618626 RGBLNYFBOVXZDS-UHFFFAOYSA-N 356.494 6.055 0 40 FKAB CCOc1ccc(CNc2ccc(Br)cc2C)cc1OCC 408609334 MZSPVDDFRUPIQO-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 408825301 JNJUKFMPTAOYSO-UHFFFAOYSA-N 350.245 5.212 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 409113893 OPCGLHDRCMXNKD-UHFFFAOYSA-N 365.448 5.588 0 40 FKAB COc1ccccc1NC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1 825285 KAGZYQDUYJUHIB-NRFANRHFSA-N 371.480 5.257 0 40 FKAB CC(C)(C)c1cc(C(=O)CCCCN2CCCCC2)cc(C(C)(C)C)c1O 1815918 KKCQJGIEWROQSW-UHFFFAOYSA-N 373.581 5.826 0 40 FKAB Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)CSC3)c(C)c1 3008378 UXFYJCXZOKNQGB-UHFFFAOYSA-N 369.534 5.145 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C1CCCCC1 3349227 JEQWZEZWZDVLOT-UHFFFAOYSA-N 355.290 5.636 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 3849962 YNJRCCQKMDWYDP-XRQVTLDISA-N 360.582 6.233 0 40 FKAB CCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 4107097 PVAOVWHCWOVAKK-UHFFFAOYSA-N 370.521 6.708 0 40 FKAB O=C(c1ccccc1)c1sc(N2CCCCCC2)nc1-c1ccccc1 4114291 NJGRPRMHPAPTDI-UHFFFAOYSA-N 362.498 5.422 0 40 FKAB CCCCN(CCCC)c1cc(C(=O)CCCCCN)c2ccccc2n1 4537177 FTLQWRZJJPKFIL-UHFFFAOYSA-N 369.553 5.343 0 40 FKAB Cc1cccc(Oc2ccc3[nH]c(C(=O)N[C@H](C)c4ccccc4)cc3c2)c1 4702627 NBJHLXIXNOSHAA-QGZVFWFLSA-N 370.452 5.760 0 40 FKAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 4951796 LPDUJPYCDBNNEF-DTQAZKPQSA-N 352.437 5.173 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 5904337 JTUOOWKKMLZUIZ-ZHACJKMWSA-N 352.459 5.353 0 40 FKAB CC(=O)c1sc(NC(=O)c2cccc3ccccc23)nc1-c1ccccc1 6305813 FKHYRQFMHMKLNA-UHFFFAOYSA-N 372.449 5.418 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3c(F)cccc3F)cs2)c1)C1CC1 8042088 JFGCPTRGJDOSOF-UHFFFAOYSA-N 356.397 5.104 0 40 FKAB Clc1ccc(SCc2nc3sccn3c2Br)cc1 12523631 XIKSXPSGEQGLRX-UHFFFAOYSA-N 359.701 5.104 0 40 FKAB CSc1ccc(CN(C)C(=O)c2sc(-c3cccs3)nc2C)cc1 12759980 SDGJYWHGEGSBNA-UHFFFAOYSA-N 374.556 5.174 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 12897045 WCOWWRKVUFKKME-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB CCCCCNc1nc(SC)nc(Cl)c1Cc1ccc(OC)cc1 15566328 JXRKHOMLFYWQJK-UHFFFAOYSA-N 365.930 5.053 0 40 FKAB Cc1ccc2nc(NC(=S)Nc3cccc(C(F)(F)F)c3)sc2c1 16348726 LKMZMVSJPLNKGP-UHFFFAOYSA-N 367.421 5.432 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20456667 HPHQEKDRGHAPGH-YADARESESA-N 373.496 5.231 0 40 FKAB CCc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 20672238 ILYKUWGWINETMX-AWEZNQCLSA-N 363.436 5.082 0 40 FKAB Cc1ccccc1-c1cc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 24033962 XVNZNVVEHIYNOE-UHFFFAOYSA-N 364.275 7.184 0 40 FKAB O=C(Nc1cccc(Br)c1)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 36033992 KVFSWFSBUJJKAD-XSESPLPZSA-N 374.322 5.716 0 40 FKAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(C2CCCCC2)cc1 72414241 FYTWFIKQUXEQFY-UHFFFAOYSA-N 366.486 5.083 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344331 KMEOSRFJJJBBDD-RTBURBONSA-N 356.252 5.889 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)cc1 95116517 KNIDBGYRHMBNRV-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1c(NC(=O)N2CC[C@@H]2c2ccccc2)cccc1OC1CCCC1 95351201 IDJMXTVJEPQXFN-HXUWFJFHSA-N 350.462 5.295 0 40 FKAB Cc1ccc(NC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1Cl 95455378 SMDGSJOVJWAACU-KRWDZBQOSA-N 360.889 5.138 0 40 FKAB Cc1cc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)cc(C)c1Cl 222781373 AAGHAEMPFHFCOR-MRXNPFEDSA-N 367.876 5.194 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 223422586 PZRKCFZJCOCWHO-XDJHFCHBSA-N 369.936 6.212 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1cc(C)cc(C)c1C 224606246 MQFNZSWQCAZJQU-QGZVFWFLSA-N 369.505 5.118 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 224898408 LVVOHDJFCMFAOP-UHFFFAOYSA-N 360.910 5.061 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c2ccccc12 225848990 XNSWFLWZRXNWDW-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)o3)n2)cc1 408553603 AXHMJKOWMQZCAA-UHFFFAOYSA-N 364.348 5.028 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)nn2-c2ccccc2)cc1 408724400 JSTBVXDDJRZCMS-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(F)cc2)cc1 409119183 RGLORQHQEICZFA-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1c(ccc3ccccc13)O2 841156 MXXBBRWOXKNIBO-HSZRJFAPSA-N 357.409 5.377 0 40 FKAB aggregator CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)o2)cc1 1789974 JZOHDMAORHFDPG-UHFFFAOYSA-N 371.436 6.203 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 2069854 CSICQPKGKDHTOE-GOSISDBHSA-N 366.505 5.711 0 40 FKAB C=Cc1ccc(Cn2nc(-c3ccccc3C)cc2-c2ccccc2C)cc1 2733462 REFIEAUDKDKPQX-UHFFFAOYSA-N 364.492 6.525 0 40 FKAB CCN1C(=CC(C)=Nc2ccccc2)Oc2ccc(-c3ccccc3)cc21 4015263 KQMVUWZYZZFEPU-UHFFFAOYSA-N 354.453 6.206 0 40 FKAB c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(-c4ccccc4)cc3)C2)cc1 4257195 ICEQMQCLZOVEMI-MHZLTWQESA-N 374.487 6.709 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 4540006 OWEFTUUJLJQQHN-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](CC)C4)N2)cc1 4545449 HCLXPEYUCAMXBA-KPZWWZAWSA-N 356.491 5.091 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2ccc(C)cc23)cc1 4970038 NLZARMMUIAYQLX-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB Cc1cccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)O)s2)c1 5427158 KHGKKKOYNFOEJG-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB Cc1occc1-c1nnc(S[C@@H](C)c2ccccc2)n1-c1ccccc1 5883084 BTDXVLXSOHZMJP-INIZCTEOSA-N 361.470 5.689 0 40 FKAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc(Cl)c1 5938402 YJMRQBCOSOKJAP-UHFFFAOYSA-N 360.891 5.194 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)c1sc2cc(F)ccc2c1Cl 6201944 DIVXVBDNJMDMCH-GFCCVEGCSA-N 361.869 5.445 0 40 FKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OC 6595510 XRMKKFCPRSYNRD-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB CCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 7261673 GPMQSGSCOVMGMK-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB COc1ccc(CN(C)c2cc(-c3ccccc3)c3ccccc3n2)cc1 7654770 UEQKFJDGBPGYAC-UHFFFAOYSA-N 354.453 5.547 0 40 FKAB O=C(NC1CC1)[C@H](Sc1c(Cl)cccc1Cl)c1ccccc1 7919058 PUJXOEUSJGZSEU-OAHLLOKOSA-N 352.286 5.105 0 40 FKAB CCCN1CCC(NCc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 8327823 NOZDPBYYQDTVDP-UHFFFAOYSA-N 367.320 5.217 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 9050876 QRCIVNPOQATAPL-UHFFFAOYSA-N 358.397 5.015 0 40 FKAB Cc1ccc(O)c(NC(=O)c2sc(-c3ccccc3Cl)nc2C)c1 12389397 GXKJIWHFPPZUNH-UHFFFAOYSA-N 358.850 5.038 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@H](C)C5)[C@H](C)CCC3)c1 12610213 FPILJRVAZJCQIJ-JKSUJKDBSA-N 361.554 6.836 0 40 FKAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 12692964 KDUYYCJSAPCESM-UHFFFAOYSA-N 367.395 5.419 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccnc1Oc1ccccc1 13001788 FJMODMIMKSOAGN-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB Cc1ccc(-c2nn(CN(C)Cc3cccc(Cl)c3)c(=S)o2)cc1C 13071928 AJBQAOYVNFUFLT-UHFFFAOYSA-N 373.909 5.232 0 40 FKAB Cc1csc(N(C(=O)[C@H](C)Oc2cccc(Cl)c2)c2ccccc2)n1 14586734 NFIXWZXHNZEIOX-AWEZNQCLSA-N 372.877 5.237 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc2)cc1 15839678 OUHWYPHEJXPFEI-QFIPXVFZSA-N 358.485 5.207 0 40 FKAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc2c(Cl)cccc12 17075003 IRCTXDPBPURZDV-UHFFFAOYSA-N 364.876 5.341 0 40 FKAB Clc1ccc(-c2ccc(CNCc3ccco3)o2)c(Br)c1 20158501 MCDYCCNJAUJEFD-UHFFFAOYSA-N 366.642 5.245 0 40 FKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 20242059 DSKHPJYXQLNIFF-JTQLQIEISA-N 359.800 5.478 0 40 FKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCC[C@@H]1C 27601730 RJWYLFLJDHQHLY-NSHDSACASA-N 368.424 5.152 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@@H](CC[C@@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@H]1C 36371224 SABPQGKCDGUYAI-XYCZTLEKSA-N 374.609 6.994 0 40 FKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCCC3)cnc2n1 49004621 CBTPNSFVILALNE-UHFFFAOYSA-N 374.488 5.041 0 40 FKAB O=C(c1sc2ccccc2c1Cl)N1CC=C(c2ccc(O)cc2)CC1 57840007 MCKNLLSZQJIZIY-UHFFFAOYSA-N 369.873 5.190 0 40 FKAB O=C(Nc1cccc(Cl)c1F)[C@@H](Oc1ccccc1)c1ccccc1 59250702 IVRMSQMQWYXCOR-IBGZPJMESA-N 355.796 5.238 0 40 FKAB Cc1cc(C)n(-c2ccc([C@@H](C)N[C@@H](C)c3c(F)cccc3F)cc2)n1 95462663 KIVWDYWOZVVRFT-CVEARBPZSA-N 355.432 5.179 0 40 FKAB O=C(c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 95917295 NOZLKFXNFNQZOB-UHFFFAOYSA-N 353.215 5.472 0 40 FKAB CC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc2c(c1)-c1ccccc1C2 104589438 WEKCUBPQNSMEND-YDZHTSKRSA-N 350.421 5.064 0 40 FKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 106971882 IMGWTBIIIVFJNY-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1ccc(N(C(=O)c2csc(-c3ccoc3)n2)C2CCCCC2)nc1 108203283 OWDMUVCHTBIFFO-UHFFFAOYSA-N 367.474 5.086 0 40 FKAB O=C(c1ccc2c(c1)CCCC2)N(Cc1ccccc1)Cc1ccccc1 139690375 JZMGONCUDANFQQ-UHFFFAOYSA-N 355.481 5.408 0 40 FKAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1Sc1ccccc1 223946290 DEMLUHSAEBKVNA-UHFFFAOYSA-N 353.874 5.672 0 40 FKAB COc1c(C)cc(C)c(OC)c1-c1cccc2c1P(C(C)(C)C)CO2 1772768960 HEETVIXTAXQITH-UHFFFAOYSA-N 358.418 5.243 0 40 FKAB CCOC(=O)c1nc(Cl)c(Cl)c(Nc2ccc(F)cc2)c1Cl 717931 LIXWTMPDPSSLSV-UHFFFAOYSA-N 363.603 5.101 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 1505778 OJWNZZDWEJEHNH-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB CCCC(=O)Oc1ccccc1C1SCc2cc(C)c(C)cc2CS1 2158409 SQIXSYZNVPJZBY-UHFFFAOYSA-N 372.555 6.188 0 40 FKAB aggregator CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 2427927 XBBJHCGKPFKHTM-UHFFFAOYSA-N 370.330 5.626 0 40 FKAB Cc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(-n2nc(C)cc2C)n1 4331208 XRZTVOUCRXGPTP-UHFFFAOYSA-N 371.444 5.123 0 40 FKAB CCCC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 4359705 FZJCXAYKEXRHFE-UHFFFAOYSA-N 358.441 5.404 0 40 FKAB C[C@H]1CC=CC[C@@H]1COC(OC[C@@H]1CC=CC[C@@H]1C)[C@@H]1CC=CC[C@@H]1C 4578693 WAEPJRAKLSUPKF-WGDRLKGFSA-N 358.566 6.153 0 40 FKAB C(=C1\CCC[C@@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1)\c1ccco1 4887015 YKWQHZUENZGCQI-CITMJMANSA-N 354.453 6.081 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 5698267 BWDAGVHEJXRJCH-UHFFFAOYSA-N 367.533 6.383 0 40 FKAB Cc1ccc(C)c(-c2csc(NC(=O)COc3ccccc3Cl)n2)c1 15324279 MUGWZKOGFDQVCV-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c(Cl)c1 17072985 VOWIQSRWZCLBBO-UHFFFAOYSA-N 351.837 5.097 0 40 FKAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1Cl 17336331 CHMIXWZSNGPGAA-UHFFFAOYSA-N 369.298 5.360 0 40 FKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc2ccccc2c1 20139130 PRKYCXAVUQUIDI-UHFFFAOYSA-N 357.409 5.153 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 44949559 PUUWKKOOCIOIPR-CQSZACIVSA-N 374.720 6.156 0 40 FKAB C[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 58160693 MPAUIXLAVDZIEW-MNOVXSKESA-N 371.695 5.325 0 40 FKAB O=C(Nc1ccccc1Cl)N(CCc1ccccc1)Cc1ccccn1 62017984 ZTBCNKOEQKVVEW-UHFFFAOYSA-N 365.864 5.012 0 40 FKAB CCCCN1C(=O)CC[C@H](Sc2ccc(C)cc2)[C@@H]1c1ccccc1 65090601 BJNJORPGGUCFBV-UNMCSNQZSA-N 353.531 5.620 0 40 FKAB CC(C)[C@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F 69438769 BXIGHABUCSLIBH-HXUWFJFHSA-N 364.464 5.089 0 40 FKAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72214284 CTJZTIBPMVTCJN-QHCPKHFHSA-N 357.501 5.577 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217697 YJNKVJPXDOOYSS-OAQYLSRUSA-N 374.509 5.600 0 40 FKAB O=C(Nc1ccccc1Cl)N1CCC(CSCc2ccco2)CC1 85472501 XRPADXQNZLNDFG-UHFFFAOYSA-N 364.898 5.110 0 40 FKAB CC(C)=C[C@H](O)C/C(C)=C/CCc1c2ccoc2cc2oc(=O)ccc12 87493307 FBBLYIUMOWEBEF-UZPPOTPCSA-N 352.430 5.135 0 40 FKAB Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 98087394 AZOKMFUETPLROZ-QJYOBMODSA-N 366.549 5.415 0 40 FKAB Fc1ccc(COc2ccccc2CNc2ccc(F)c(Cl)c2)cc1 107042861 KJWTVPLKMZZJAG-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cs1 107487542 SKYKPCQLLVTFOR-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 218921718 KGOYMHUYWOJJMR-MRXNPFEDSA-N 373.924 5.511 0 40 FKAB O=C(NCCc1ccc(Cl)cc1)/C(=C/c1ccccc1)c1ccccc1 223447593 HQBYPWXPMZAJBF-OQKWZONESA-N 361.872 5.240 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c3ccccc23)CCC[C@@H](C)C1 225855700 CNPZTYOIMILSTQ-UZUQRXQVSA-N 369.505 5.553 0 40 FKAB Cc1ccc(C2(NC(=S)Nc3ccc(OC(C)C)cc3)CCCC2)cc1 225867064 NDGYOSFINIAYSV-UHFFFAOYSA-N 368.546 5.538 0 40 FKAB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]2[C@H]2[C@@H]4CC[C@H]([C@@H]12)[C@@H]1[C@H]4[C@@H]2CC[C@@H]1C2)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 245241166 YJUVCBGGFBYMBC-BXJBLPGSSA-N 362.557 5.048 0 40 FKAB CC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](C)CC4)cc3)cc2)CC1 249691997 MEXURWLRXYTWGT-KBQPQWKXSA-N 360.585 8.331 0 40 FKAB CCCOc1ccc(CNc2cccc(Cl)c2C)cc1Br 409117191 QNPMVVVUGYBEIV-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB COc1ccc(Nc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1 951917 IBLVRWXMJGVKAV-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)S1 1042013 GLVHNFZWSLWTLS-UHFFFAOYSA-N 359.882 5.260 0 40 FKAB CCc1nc(N2CCCCCC2)c2sc(=S)n(-c3ccccc3)c2n1 1078571 GIWLKMXRJJDGEE-UHFFFAOYSA-N 370.547 5.154 0 40 FKAB O=C(c1ccccc1F)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1295869 SXNLHPFBQQIHAJ-GOSISDBHSA-N 368.795 5.064 0 40 FKAB Cc1ccccc1NCc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2121058 FDNGQKXUXISOEV-UHFFFAOYSA-N 357.409 5.086 0 40 FKAB biogenic CCc1nc(Nc2cc(Cl)cc(Cl)c2)c2oc3ccccc3c2n1 2408823 VMLOGBNQNLLPGD-UHFFFAOYSA-N 358.228 5.989 0 40 FKAB Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)c(Cl)c1O2 2569335 QLBBXWPVEFJZEC-UHFFFAOYSA-N 356.419 6.852 0 40 FKAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccccc1Cl 3189459 DVYCKRCODBFASN-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB CCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccc(C)c2)s1 4982504 XRKZGJZDQZRKRX-UHFFFAOYSA-N 365.502 5.269 0 40 FKAB CCOc1ccccc1NC(=O)c1sc(-c2ccc(CC)cc2)nc1C 5404677 HABGGTLYQAQFFR-UHFFFAOYSA-N 366.486 5.332 0 40 FKAB C[C@@H](Cc1ccccc1)NCCC1c2ccccc2Sc2ccccc21 6021047 OSXOGVJHQHLKFO-SFHVURJKSA-N 359.538 5.894 0 40 FKAB in-man Cc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C2CCCCC2)cc1 6785681 CUTJICCJOWXUGT-IBGZPJMESA-N 355.507 5.429 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 7080007 VPDGADZVIPMWBJ-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB Cc1ccccc1-c1cc(-c2ccco2)c2c3c(sc2n1)C[C@@H](C)CC3 7148379 BGSXPOHDVJFPDM-AWEZNQCLSA-N 359.494 6.657 0 40 FKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC 8253866 HYLAWELTJQWUKK-UHFFFAOYSA-N 363.929 5.196 0 40 FKAB CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccccc1 8254660 YWWRYRQZGSTYKX-IBGZPJMESA-N 361.485 5.515 0 40 FKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc3ccccc3c2)no1 8270291 FQAXNBBKBRUJFY-UHFFFAOYSA-N 374.465 5.681 0 40 FKAB CSc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1NC(C)=O 14103259 LPGWKMCRZZDBGP-UHFFFAOYSA-N 358.463 5.297 0 40 FKAB C[C@H](Nc1nc2ccccc2nc1N[C@@H](C)c1ccccc1)c1ccccc1 16778544 VWOHMLSLHIFAMF-ROUUACIJSA-N 368.484 5.976 0 40 FKAB CCSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 19932716 AVOZHQSVXIIWIR-UHFFFAOYSA-N 351.924 5.324 0 40 FKAB CCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)cc1 20672063 RTRHEZJYYMVBJK-UHFFFAOYSA-N 359.473 5.333 0 40 FKAB C[C@H]1CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3ccc(F)cc3)c2C1 20672179 IGSQOBDZICLFAR-GFCCVEGCSA-N 369.827 5.173 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(F)cc1 22072710 UREOGCZLRZRQLY-UHFFFAOYSA-N 359.763 5.009 0 40 FKAB CSc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246038 BMFUGDUEGOPJGU-UHFFFAOYSA-N 373.478 5.308 0 40 FKAB Clc1ccc(-c2noc(-c3cccnc3NCc3ccccc3)n2)cc1 33317792 VFVHRIXLBKKECH-UHFFFAOYSA-N 362.820 5.064 0 40 FKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC 33783344 WWQWDNOEJRJFIS-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccccc4)[C@H](O)[C@]3(C)CC[C@@H]21 36614391 XBBFULYUUHIPON-BBFDMJEMSA-N 374.524 5.606 0 40 FKAB CN(Cc1cccs1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44776382 CVMQFHGKXXXSCS-JKSUJKDBSA-N 368.527 5.066 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC(c1ccccc1)c1ccccc1 44885098 NTOXQVYJLWPKTR-JOCHJYFZSA-N 373.496 5.367 0 40 FKAB Cc1ccc2oc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 49168842 BAOCANISKWSGIX-HNNXBMFYSA-N 360.379 5.145 0 40 FKAB biogenic,in-vitro COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)o2)cc1 67299836 FAWVBGOMVMOHEE-UHFFFAOYSA-N 363.344 5.008 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(F)cc2Br)c1 71761373 DHITZVLWEASYDM-UHFFFAOYSA-N 371.300 5.119 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)N1CCC(c2cccs2)CC1 75157056 VKAUCLFTGORYSN-UHFFFAOYSA-N 365.498 5.320 0 40 FKAB CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)Sc2ccccn2)c(C)c1 79060592 RVKYFZOVKUQFOT-GJZGRUSLSA-N 360.548 5.400 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 118917341 NOTIQUSPUUHHEH-VRWVGQPESA-N 360.538 5.166 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)c(C)c1 222693312 FXKNRSDTKGYCPH-MRXNPFEDSA-N 361.938 5.707 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OC 224436975 OYMCMWZZKXQXPQ-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB Cc1cccc(CSCCNC(=S)Nc2ccc(C)c(Cl)c2)c1 225337254 ARYWMKPRCWVOLN-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@@H](C)C1 225717619 ODEJGTGAUIKRCB-ZHRRBRCNSA-N 359.510 5.240 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 409134180 NZCOJTSOYWWSNJ-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CCCn1ccc2cc(NC(=O)c3c[nH]cc3-c3cccc(OC)c3)ccc21 504534442 XBIWURXERVSXGY-UHFFFAOYSA-N 373.456 5.307 0 40 FKAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccc(CNc2ccccc2)cc1 621894857 BNPOTHKKYWZQOO-TZIWHRDSSA-N 370.443 5.453 0 40 FKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 822161 AMFOIMYXPFMQIR-UHFFFAOYSA-N 356.425 5.224 0 40 FKAB O=C(Nc1ccccc1[C@H]1CC1(Cl)Cl)Nc1cccc2ccccc12 1443164 YOSQRIJPNLRBRH-MRXNPFEDSA-N 371.267 6.145 0 40 FKAB CCCCCCC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 2278835 BBKQJCJBPFHTSJ-UHFFFAOYSA-N 372.321 5.345 0 40 FKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1ccccc1 2361422 KKSSNFHRTRFOOV-LJQANCHMSA-N 352.411 5.569 0 40 FKAB Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl 2521572 ZHLICBPIXDOFFG-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro COC[C@@H](C)n1c(C)cc(-c2csc(Nc3ccccc3OC)n2)c1C 2647086 XQYQZFCRKJVJQH-CQSZACIVSA-N 371.506 5.188 0 40 FKAB Cc1cc(C)c2c(-n3cccc3)c(NC(=O)Nc3ccccc3)sc2n1 4052805 ZZUZEBILGCEGMQ-UHFFFAOYSA-N 362.458 5.348 0 40 FKAB CC(C)(C)C(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341974 OJPYSKNWINHURI-UHFFFAOYSA-N 370.836 5.323 0 40 FKAB O=C(Nc1cccc(Cl)c1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4482012 RRSLLQLMRWNJBR-RRIFHVCJSA-N 358.696 5.135 0 40 FKAB O=C(CSC1CCCCC1)OCC(=O)c1ccc(-c2ccccc2)cc1 4689880 JNAFGVXWQOPHQR-UHFFFAOYSA-N 368.498 5.145 0 40 FKAB CCc1cc2ccccc2nc1SCC(=O)Nc1c(C)cc(C)cc1C 4849242 RUAMBCZTMIKXFU-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB Clc1ccc(OCc2ccccc2)c(-c2nc(-c3ccncc3)no2)c1 7699413 KFTJNOSIYBMCJV-UHFFFAOYSA-N 363.804 5.031 0 40 FKAB Cc1cccc(Nc2nnc(SCc3nc4ccccc4o3)s2)c1 8191069 PIDULFPLQUXEKH-UHFFFAOYSA-N 354.460 5.024 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)c2sc(-c3cccs3)nc2C)cc1 11173338 WMKLFSJTCFRJET-LBPRGKRZSA-N 372.515 5.070 0 40 FKAB c1ccc(COc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1 16480415 SYVKRCYLUNZVLF-UHFFFAOYSA-N 356.469 5.079 0 40 FKAB Cc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1C 19927101 NVTQUIKKCYFUTN-QGZVFWFLSA-N 351.393 5.101 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2cccc(C)c2C)s1 19933180 XBFFNKQURVZXBI-UHFFFAOYSA-N 356.516 5.368 0 40 FKAB Cc1nn2c(NC3CCCC3)cc(-c3ccccc3)nc2c1-c1ccccc1 27585047 AKKMDGNUNKOFPC-UHFFFAOYSA-N 368.484 5.726 0 40 FKAB CCCCCc1c(CC=C(C)C)c(OC)c(CC=C(C)C)c(O)c1C(=O)O 35465958 ONMLNUSSUHTGJO-UHFFFAOYSA-N 374.521 5.849 0 40 FKAB biogenic,in-vitro COC(=O)c1c(O)cccc1CC[C@@H]1c2ccccc2C[C@@H]2CCCC[C@@H]21 35973653 OUPDCYDORAMWNW-SESVDKBCSA-N 364.485 5.258 0 40 FKAB Nc1c(Cl)cc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1Cl 57352775 NJZBEVQGIQLRFJ-UHFFFAOYSA-N 369.251 5.975 0 40 FKAB Cc1ccc(C)c(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c1 69384054 SBRAFHHZFCAWFC-NRFANRHFSA-N 364.514 5.000 0 40 FKAB CCc1ccc(C(=O)c2coc3ccc(OCc4ccccc4)cc23)cc1 96101423 NINWRXKJEAZYCS-UHFFFAOYSA-N 356.421 5.805 0 40 FKAB CC(C)c1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 100891312 BQIJQUGKICFGMV-XLIONFOSSA-N 356.853 5.233 0 40 FKAB O=[P@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@@H]1c1ccccc1 104183317 MJSUUSHGYQJORK-GJZUVCINSA-N 360.393 6.622 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224425437 FXTXAHREWOFONS-KRWDZBQOSA-N 373.452 5.917 0 40 FKAB Cc1nc(-c2cccc(NC(=S)N[C@H](C)c3ccccc3)c2)cs1 225180057 LMLGQCBNCJSBOB-CYBMUJFWSA-N 353.516 5.166 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 408622687 QOKDXLRTCMTEEX-GOSISDBHSA-N 365.517 6.265 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccccc1Cl 409028955 VNQPPGLMNNRYAF-JXMROGBWSA-N 366.313 5.056 0 40 FKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 409114288 GOJSAKBXNCCCEW-UHFFFAOYSA-N 361.485 5.812 0 40 FKAB Cc1cccc2sc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)nc12 682442 IRETWQFJLRUGJK-HNNXBMFYSA-N 352.503 5.545 0 40 FKAB c1ccc2c(c1)Cc1c(Cc3csc4ccccc34)ccc3cccc-2c13 1622911 IVMQMUUDYJMRCA-UHFFFAOYSA-N 362.497 7.217 0 40 FKAB CCCCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1781092 FNKPFPUNXMHTOL-UHFFFAOYSA-N 360.841 5.331 0 40 FKAB Cc1ccc(-n2c(=S)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 1828965 CZGJRZXKFROJPS-UHFFFAOYSA-N 374.509 5.238 0 40 FKAB CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 1830831 KLONBEYMRHXBQF-QGZVFWFLSA-N 353.786 5.717 0 40 FKAB Cc1c(CCC(C)C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 1832231 OFGKIYJQOMRRED-UHFFFAOYSA-N 370.876 5.922 0 40 FKAB biogenic COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(C)cc2)n1 2733273 SYTJHGWSBFHMJX-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB CCOc1cccc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 4031679 YUAHXWJLWOIJOW-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@H](OC(C)=O)C[C@@H]21 4478069 SGEFBVJZEOLACL-IRMYBRCSSA-N 372.505 5.055 0 40 FKAB Cc1ccc(-c2ccc3c4ccccc4c(C(=O)C(F)(F)F)c-3o2)c(C)c1 4568126 ZCWJGKYMNZDSAV-UHFFFAOYSA-N 368.354 6.566 0 40 FKAB Cc1cc(=O)c2c(o1)-c1ccccc1[C@@H](c1ccccc1)c1ccccc1-2 4726556 RVWSLRHXXASKAQ-QHCPKHFHSA-N 350.417 5.776 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(N2CCCCCC2)cc1 5245006 XIWLMNJBHCCVJA-UHFFFAOYSA-N 360.860 5.041 0 40 FKAB Cc1cccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 5619619 YKQNKKKESWVWIK-UHFFFAOYSA-N 359.469 5.338 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2ccccc2c1 6243169 FGMDJTIVTRNCAV-OAHLLOKOSA-N 362.498 5.480 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(F)c(F)cc1Cl 6289109 JVMHGTIJTLKWQE-UHFFFAOYSA-N 357.787 5.138 0 40 FKAB CC(C)COc1ccc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc12 6326974 ATWXFHBYQDEBJD-KGENOOAVSA-N 357.453 5.392 0 40 FKAB O=C(Cn1ccnc1-c1ccccc1)N(C1CCCCC1)C1CCCCC1 6508730 NRHGLRTVRFYDOO-UHFFFAOYSA-N 365.521 5.044 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 8194415 RLHOXUQHKDMECA-UHFFFAOYSA-N 353.425 5.112 0 40 FKAB Fc1ccccc1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN21 9330654 LOWWIZVCDKJRFX-OAQYLSRUSA-N 369.403 5.132 0 40 FKAB CCOc1ccc([C@H](NC(=O)Nc2ccccc2F)C(C)C)cc1OCC 10207113 XZTWEOWUDKVFIK-HXUWFJFHSA-N 374.456 5.142 0 40 FKAB C[C@@H](C1CC1)N(C(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccccc1 11692353 PRNIMOAZACSEJT-NSHDSACASA-N 368.691 6.092 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1ccccc1CCc1ccccc1 13688442 FURPCWSCQBFSLI-UHFFFAOYSA-N 370.279 6.031 0 40 FKAB Cc1ccccc1Cn1nc(-c2ccccc2C)cc1-c1ccccc1C 17073089 HPSUBQHLIYYUIO-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C(F)(F)F)cc1 20035495 KCQWDEFDQSQLJP-INIZCTEOSA-N 351.368 5.118 0 40 FKAB CSc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20494417 MFONUSTVJKEAAC-UHFFFAOYSA-N 371.483 5.002 0 40 FKAB CC(C)(C)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 21944950 RNHRQBUPDJJNRD-UHFFFAOYSA-N 353.853 5.177 0 40 FKAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccc(F)c(Cl)c2)c1 22072732 XJJWKDSAFXDAAL-UHFFFAOYSA-N 355.800 5.178 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OC 23968078 VXWXNNFWUJJSBV-JOCHJYFZSA-N 371.440 5.083 0 40 FKAB Cc1c(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)oc2ccccc12 27745047 XZQZBYNJGZGQIG-UHFFFAOYSA-N 363.388 5.316 0 40 FKAB C[C@@H]1C[C@@H](C)CN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1 28632075 LSGLXOBUBXDHFI-FDIHYXAFSA-N 354.582 5.155 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C 30860215 RCYLPAOURIMCQG-BJKOFHAPSA-N 373.496 5.367 0 40 FKAB CC[C@H](C)c1ccc([C@H](CC)NC(=O)c2cc(C)nc3onc(C)c23)cc1 36613781 ZKJWUJGXYDNURJ-DJJJIMSYSA-N 365.477 5.234 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 44880942 JBBMCQCVBUEEFW-UTKZUKDTSA-N 371.546 5.221 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(N)cc1Cl 72229527 IRTCDKZZAPLMQW-UHFFFAOYSA-N 373.667 5.025 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(Cl)cc1 219023502 XXRIRGDHSPFIJV-MRXNPFEDSA-N 367.876 5.010 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1Cl 223000728 OJTFVPSCIMVGLJ-AWEZNQCLSA-N 357.881 5.109 0 40 FKAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 224976624 RRNMGGYFOJEZJM-IBGZPJMESA-N 371.524 6.071 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)c(Cl)c2)C(C)C)c(C)c1 225764668 LXBSWEWMOJEEDS-SFHVURJKSA-N 364.917 5.780 0 40 FKAB CC[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253617232 ORZBNFZTRWEXII-LLZVHFHVSA-N 360.538 5.310 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 409178906 JZDDQFKQOLVLMX-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(NC[C@@H](c1ccsc1)c1ccco1)C1(c2cccs2)CCCC1 675007836 TXSAZNOFQDEPFE-INIZCTEOSA-N 371.527 5.163 0 40 FKAB O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCCCC1 998793 IMTLPXYQUQEYRL-UHFFFAOYSA-N 364.272 5.199 0 40 FKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 1085347 XRJCYNHHRWXPMF-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB FC(F)(F)c1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1 1383851 DIPVCWHLFCGEMH-UHFFFAOYSA-N 350.727 5.608 0 40 FKAB Cc1ccc(Cl)cc1NP(=O)(Oc1ccccc1)Oc1ccccc1 1847897 SQNPZLSPLCWOCN-UHFFFAOYSA-N 373.776 6.326 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 1940029 ASCKIQJOJNFEFM-VMPITWQZSA-N 360.162 5.664 0 40 FKAB Brc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 2217143 OLJCVZUGBZYQOD-UHFFFAOYSA-N 361.242 5.726 0 40 FKAB FC(F)n1c(-c2ccc(Br)cc2)nc(=S)c2ccccc21 2646154 ANJYTRJNZHLXMO-UHFFFAOYSA-N 367.218 5.590 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)cc3)n(Cc3ccc(Cl)cc3)c2c1 3017206 QKENJSHFNAOWBX-UHFFFAOYSA-N 367.279 6.367 0 40 FKAB Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccccc2Cl)c1 3092170 WRSSKQBOXRRZQM-UHFFFAOYSA-N 362.904 5.982 0 40 FKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1c(F)cccc1F 3116607 VNDXJESZAUWHDS-UHFFFAOYSA-N 373.399 5.649 0 40 FKAB O=c1[nH]c(Cc2ccc(Cl)cc2)nc2scc(-c3ccc(F)cc3)c12 3366367 RKLWOJDHZUGYKM-UHFFFAOYSA-N 370.836 5.035 0 40 FKAB CCCCCCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O 3767929 UIDMKIFRDFCKNL-CYVLTUHYSA-N 367.420 5.129 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(C)o2)cs1 4174147 FDAOBMQJNVYJLO-UHFFFAOYSA-N 364.426 5.126 0 40 FKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1Cl 4176250 NQJRYKNMGRCTLI-UHFFFAOYSA-N 364.857 5.454 0 40 FKAB aggregator CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 5200184 XFROTOVJQUANOF-UHFFFAOYSA-N 373.452 5.901 0 40 FKAB Cc1ccccc1/C=C/[C@]12N=C(O)CCN1c1ccc(F)cc1C2(C)C 5489774 AUZZKSZTGIKHDN-YUAYGMJFSA-N 350.437 5.002 0 40 FKAB Cc1cc(Nc2ccccc2)nc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)n1 5587630 IKASSMQQNILGOK-YWMUFLPLSA-N 367.518 5.015 0 40 FKAB O=C(CSc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2ccccc2)cc1 5999728 OCLMVQLRFFNQIS-UHFFFAOYSA-N 371.465 5.114 0 40 FKAB COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 6245074 FFGWJTZNGVXTNY-UHFFFAOYSA-N 374.484 5.363 0 40 FKAB O=C(O)c1cc(/C=C/c2ccc(Br)cc2F)nc2ccccc12 6345125 WYBGLIWGLFEKIS-SOFGYWHQSA-N 372.193 5.005 0 40 FKAB Cc1ccc(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1 6966335 BGIQPVFGXPDDIT-UHFFFAOYSA-N 361.363 5.082 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 7073127 RRIYRZNVJMRULF-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB Brc1ccc(NCc2csc(-c3ccsc3)n2)cc1 7115791 JIBAWARCUKGVKP-UHFFFAOYSA-N 351.294 5.246 0 40 FKAB C[C@@]1(c2ccncc2)NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 12549182 BCABKZMHHNPTOY-JPYJTQIMSA-N 373.887 5.215 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@H]2c1ccncc1 14607113 LJYGZLXLAYRCHW-QFIPXVFZSA-N 364.452 5.367 0 40 FKAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 20025326 OMKLKNDSZIWJLP-UHFFFAOYSA-N 373.349 5.615 0 40 FKAB COc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 20459070 PTQDRMPNHGLPPE-UHFFFAOYSA-N 363.482 5.169 0 40 FKAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1 30116451 OWFXWHYPFVVEMV-VIFPVBQESA-N 362.178 5.503 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 30855115 JHXDFOVGGREDHI-CQSZACIVSA-N 363.910 5.098 0 40 FKAB O=C(Nc1ccccc1)c1sc(Nc2ccccn2)nc1-c1ccccc1 32899516 RKNMJTVCMYRYAY-UHFFFAOYSA-N 372.453 5.201 0 40 FKAB Cc1ccc(-c2cc(-c3nc(-c4ccccc4Cl)no3)[nH]n2)c(C)c1 46914152 UDXHELHAIJDZQU-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB O=C(/C=C/c1cccc(F)c1)N(Cc1cccnc1)c1ccc(Cl)cc1 95953233 XOGLJFIUGRYICZ-IZZDOVSWSA-N 366.823 5.121 0 40 FKAB CC(C)C[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 102252023 YJDMYHAAIKOYQX-FQEVSTJZSA-N 374.488 5.066 0 40 FKAB CC(C)[Si](Oc1ccc(Br)cc1C=O)(C(C)C)C(C)C 205184122 NQIPXHRLZUWCKW-UHFFFAOYSA-N 357.364 5.816 0 40 FKAB COc1cc(NC(=O)CCc2cccc3ccccc23)c(OC)cc1Cl 222669795 XMEOVGPSOYCXCE-UHFFFAOYSA-N 369.848 5.082 0 40 FKAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)c(C)c1 224853856 WINKOTHMSGGWNC-HXUWFJFHSA-N 363.457 5.047 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C(F)(F)F)cc1 225371694 VCPHTZIMNYZZTI-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525368 SECIYJBVCANBPZ-INIZCTEOSA-N 371.908 5.968 0 40 FKAB CCO[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@H](C)C1 225713523 WLLNRIPLQPUHDG-MBSDFSHPSA-N 367.489 5.190 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c2ccccc12 225835144 JLDNOTAVCJXQKD-UHFFFAOYSA-N 369.505 5.553 0 40 FKAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1 226269792 IUPVCDFZUKSQQP-UHFFFAOYSA-N 370.330 5.173 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3SC)ccc21 408565428 KSKQLZILDNDMKM-UHFFFAOYSA-N 360.482 5.789 0 40 FKAB CC(C)(C)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408986698 DAABSKKYVWSDRC-UHFFFAOYSA-N 366.530 6.020 0 40 FKAB Clc1cccc(COc2ccc(CNc3ccccc3)cc2Cl)c1 409122584 ZXPHUZCFBXYKQK-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 837046 RSYCVESFMFLJAO-UHFFFAOYSA-N 365.908 5.418 0 40 FKAB O=S(=O)(c1ccc2c3c(cccc13)CC2)c1ccc2c3c(cccc13)CC2 850553 XIGBMALEZFTKIZ-UHFFFAOYSA-N 370.473 5.023 0 40 FKAB CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC 1854337 FVYRUSCZCWSFLT-UHFFFAOYSA-N 361.403 5.729 0 40 FKAB in-man FC(F)(F)[C@](F)(Cl)[C@@](F)(Cl)Sc1c[nH]c2ccccc12 2256798 CBJUZZYVUOQKRP-UWVGGRQHSA-N 350.139 5.589 0 40 FKAB CCOC(=O)c1cnc2ccc(CC)cc2c1Nc1cccc2ccccc12 2276663 WHJXCBYTRXABOQ-UHFFFAOYSA-N 370.452 5.871 0 40 FKAB Cc1ccccc1-n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 2325946 KVXUGLMILLSIRK-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB COc1ccc(C)c2sc(NC(=O)c3cc(Cl)sc3Cl)nc12 2723936 GMMYHCKVOWTFJQ-UHFFFAOYSA-N 373.286 5.234 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc2ccccc2c1 3226449 RARRJBLDJVQKAI-UHFFFAOYSA-N 361.441 5.067 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc2ccccc2o1 4120249 CWXNDXNFMQYEJA-UHFFFAOYSA-N 374.362 5.304 0 40 FKAB c1ccc(-c2c/c(=N/c3ccc4c(c3)OCCO4)c3ccccc3o2)cc1 5444431 MCHWUKMMJQSETI-CLCOLTQESA-N 355.393 5.103 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 5471438 APYVZVYCHJPUFQ-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB C[C@@H]1CC(C)(C)C[C@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)O)C1 5662468 XROBQVICXLWESG-ZMZPIMSZSA-N 372.292 5.239 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6168530 KCCRHWBPIJZZGL-AOJDJGAYSA-N 369.549 5.300 0 40 FKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 6469148 FNZNYYBVSBPMCA-AYVTZFPOSA-N 367.301 5.609 0 40 FKAB CCn1cnc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 6671762 KNRJCTQTNQLRHA-UHFFFAOYSA-N 355.850 5.177 0 40 FKAB Cc1ccc(CNCc2cccc(OCc3ccccc3Cl)c2)cc1 7537902 PBETWFALJWVRLK-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 8220392 CGNMHXFGERVIRQ-INIZCTEOSA-N 365.523 5.957 0 40 FKAB CC(C)c1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1 10330174 MXJXVWUIUKPUJY-UHFFFAOYSA-N 361.938 5.305 0 40 FKAB Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)c2cnn(C(C)C)c2n1 10958315 FSHSXLAWDCNHGW-UHFFFAOYSA-N 350.466 5.005 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Sc1ccccc1 14412592 RIEPKIHXVSWKTM-CCEZHUSRSA-N 365.885 6.143 0 40 FKAB C[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)c1ccc(N(C)C)cc1 15082435 DVFQPLOCCCKYQP-INIZCTEOSA-N 372.468 5.013 0 40 FKAB CCc1ccc(N2C(=O)CS[C@H]2c2ccc3cc(OC)ccc3c2)cc1 17198439 QRESWGJFPILWQW-QFIPXVFZSA-N 363.482 5.189 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1C 20456379 IBSSVBVQOXQCAV-GOSISDBHSA-N 361.441 5.502 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 20486567 KOMOXEOKAIOABB-HNNXBMFYSA-N 371.786 5.463 0 40 FKAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 28871940 PXOSTSNCOSRSDI-LLVKDONJSA-N 356.775 5.106 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 30856082 RSEONDDEHYSCIL-DLBZAZTESA-N 369.505 5.028 0 40 FKAB O=C(C[C@@H]1C=CCC1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182919 ZQMGURZMXXOBSV-LLVKDONJSA-N 352.381 5.124 0 40 FKAB Cc1cccc(NC(=O)c2ccc(CSc3nc4ccccc4o3)cc2)c1 36646428 BIOQAKNWWGAQGF-UHFFFAOYSA-N 374.465 5.681 0 40 FKAB Cc1cc(Br)c2oc(-c3ccccc3Br)nc2c1 40542301 XPFLAABALVJDPK-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccc(F)cc2)cc1 44086453 VUQXBAZDUDSLKM-UHFFFAOYSA-N 374.484 6.279 0 40 FKAB CC(C)c1sc(NC(=O)c2cc(C3CC3)on2)nc1-c1ccccc1 65817438 ZEKTUSHSUVEIOV-UHFFFAOYSA-N 353.447 5.051 0 40 FKAB CCc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(N)cc2Cl)cc1 72229171 XTCZXSQIPVFENK-AWEZNQCLSA-N 371.912 5.116 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230092 RMPVDRYTSSKNJM-FZNBYNMYSA-N 363.844 5.074 0 40 FKAB CCCN(CCC)CC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100491673 SCLSMFVVQCGLGK-AGYDLCDTSA-N 367.577 5.524 0 40 FKAB CCC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 222628926 LQOJJEBYNLZKCR-CQSZACIVSA-N 352.865 5.474 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 222977463 VXHJECHCHWTOBA-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB COc1ccc(/C=C(/C(=O)NC[C@@H](C)c2ccccc2)c2ccccc2)cc1 223427730 RZTVDECZRSWNMM-FEQHDXENSA-N 371.480 5.156 0 40 FKAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccccc2)CCCCC1 223991930 XCXCJMOSOHNPMO-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OCC 224725660 ZBCVUYHDMLXLSM-UHFFFAOYSA-N 355.478 5.271 0 40 FKAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccccc2)CCCCC1 225931393 FXDZNGNSPQIXKO-UHFFFAOYSA-N 367.514 5.021 0 40 FKAB Cc1cc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)oc2cc1C 226295191 NQPHISCQXIGHKA-UHFFFAOYSA-N 363.844 6.344 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(-c2ccc(C(=O)O)cc2)c1 257281453 OPFSKESKDYBOLS-IBGZPJMESA-N 367.445 5.124 0 40 FKAB COc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 608012 QOJDAWZHQLNKDR-MRXNPFEDSA-N 354.519 5.172 0 40 FKAB in-man CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1OCC 936324 IEVGFWSCPKQSBO-WYMLVPIESA-N 353.462 5.007 0 40 FKAB FC(F)Oc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 1098061 HDLBOQNGCGXHID-LJQANCHMSA-N 371.408 6.239 0 40 FKAB O=S1(=O)CC[C@H](Sc2ccc(Cl)cc2Cl)c2ccsc21 1398498 DJEHHNLBDPLXER-NSHDSACASA-N 365.328 5.066 0 40 FKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1 1558399 LPTOKNBNQSVVQO-UHFFFAOYSA-N 361.011 5.101 0 40 FKAB CN(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 2026720 NWKIYBPNACDLOB-UHFFFAOYSA-N 350.465 6.149 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc21 2054324 XSJVGJUQPNTJSP-UHFFFAOYSA-N 374.440 5.084 0 40 FKAB aggregator CC(=O)c1sc(-c2ccccc2)cc1NC(=O)C(Cl)=C(Cl)Cl 2158440 XWRLHRPGLBLETI-UHFFFAOYSA-N 374.676 5.442 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1cccc(Cl)c1Cl 2517200 YTCPJZMDUOYFMA-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB O=C(/C=C/c1cccs1)Nc1nc2c(s1)-c1cccc3cccc-2c13 3358821 NTKKVHURFLAUSF-MDZDMXLPSA-N 360.463 5.657 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 3534493 UTKFAOVCPAJGLL-UHFFFAOYSA-N 357.240 5.495 0 40 FKAB Cc1ccc2nc(-c3c[nH]c4ccccc34)c(Nc3ccc(F)cc3)n2c1 3909811 LYBWTULJVLCHNZ-UHFFFAOYSA-N 356.404 5.674 0 40 FKAB CC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2C)s1 4174658 XHHRCEMCQQQEHY-INIZCTEOSA-N 369.515 5.023 0 40 FKAB Cn1c(-c2ccccc2)cnc1NCc1cccc(Oc2ccccc2)c1 4678516 MWDDCYZMZJKDLU-UHFFFAOYSA-N 355.441 5.492 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 4703857 GBPNPTQIUGOIOR-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 4718062 YIRFOVNRTAREQD-UHFFFAOYSA-N 368.480 5.409 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)c1 5515861 DRSPVCXBVVVLIJ-FGSBKAERSA-N 356.506 5.659 0 40 FKAB Clc1ccccc1CSc1nnc(Cc2cccs2)n1C1CC1 7763832 LWTFYBCEVLKYIT-UHFFFAOYSA-N 361.923 5.211 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(-c2cccc3ccccc23)cs1 7844976 PRXSMMNTOLTKLD-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1cccc(C(F)(F)F)c1 12686231 NFDRKVGJRMTBDE-SSDOTTSWSA-N 368.207 5.565 0 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FKAB COc1cc(Br)c2[nH]c(-c3cccc4ccccc34)nc2c1 216912494 IFDIKBPJGTXHLR-UHFFFAOYSA-N 353.219 5.154 0 40 FKAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224177810 VQSOIQXMNBBPQC-MRXNPFEDSA-N 369.505 5.100 0 40 FKAB O=C(Cc1ccccc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225445312 UKDOJJJJBCYYSZ-UHFFFAOYSA-N 363.476 5.475 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3c(C)cc(C)cc3C)sc2c1 675045 OEBKPILIQZMUOG-UHFFFAOYSA-N 359.878 5.741 0 40 FKAB O=c1oc2cc(OCc3ccccc3F)c(Cl)cc2c2c1CCCC2 944802 QHRCQHSDXVNOPD-UHFFFAOYSA-N 358.796 5.043 0 40 FKAB COc1ccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)c(OC)c1 1463029 MUJLFRMGNBLSLZ-QHCPKHFHSA-N 373.456 5.090 0 40 FKAB CSc1nc(-c2ccccc2)nc2sc3c(c12)C[C@@H](C(C)C)OC3 2221080 PTHKYQQUQWSFNL-AWEZNQCLSA-N 356.516 5.178 0 40 FKAB O=C(CCc1cccc(Br)c1)c1cccc(Cl)c1Cl 2516731 QSKDHQHIPKQJNQ-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB CC(=O)O[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 3851376 UUVHOZKAPKYWRN-LFAMGNCKSA-N 366.542 5.442 0 40 FKAB biogenic Clc1ccc2sc(SCc3csc(-c4ccco4)n3)nc2c1 4788774 STPXBYQLJOXAMU-UHFFFAOYSA-N 364.904 5.959 0 40 FKAB CCCCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 5030264 CJRXWIGWOQZZFI-UHFFFAOYSA-N 364.880 5.880 0 40 FKAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 5583943 MLYHCQLKIAGAIP-UHFFFAOYSA-N 374.767 5.063 0 40 FKAB S=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccco1 6787651 PGYKUGWHZXYWTD-UHFFFAOYSA-N 356.878 5.332 0 40 FKAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc(F)c(Cl)cc1Cl 8073145 JNPQSZGGPGUVLM-JTQLQIEISA-N 365.235 5.034 0 40 FKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 9063413 MKEUSCRECSTELL-UHFFFAOYSA-N 370.924 5.116 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 10313787 ZPAWZBDBRPOUCG-UHFFFAOYSA-N 373.496 5.960 0 40 FKAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)ccc2o1 12586072 ZZIQDCGFWGFZDR-OAHLLOKOSA-N 371.440 5.242 0 40 FKAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)cc1 12985909 QVDQXIFDBWCVFL-AWEZNQCLSA-N 367.832 5.102 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccc(O)cc2)CC(=O)N3)C1 15106457 HJLKMEAWGDEDRM-BBRMVZONSA-N 355.503 5.079 0 40 FKAB CCCCCC1=NO[C@H](c2ccc([C@H]3CC(CCCCC)=NO3)cc2)C1 15319506 RBNDAUCVIMURRL-SZPZYZBQSA-N 356.510 6.482 0 40 FKAB S=C(NCCSCc1ccccc1)Nc1ccc(Cl)cc1Cl 18162775 QDFZOFJKIBWLOD-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)c(Cl)c1 19933721 HCPQUUAQERKTKT-IBGZPJMESA-N 369.848 5.298 0 40 FKAB Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)c2ccccc2n1 20018403 KGCQROHQWLXFNH-OAQYLSRUSA-N 358.466 5.124 0 40 FKAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cc2ccccc2o1 21933617 BTGZYHSIAMMIQG-GFCCVEGCSA-N 368.483 5.038 0 40 FKAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 30940421 VNCMKVWIBUKXSP-UHFFFAOYSA-N 366.505 5.102 0 40 FKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 33693687 RDMGQBKTYVTVML-AATRIKPKSA-N 357.620 5.324 0 40 FKAB C=Cc1ccc(CSc2nccn3nc(-c4cc(C)ccc4C)cc23)cc1 57510896 YVFDUMFBCZZQDP-UHFFFAOYSA-N 371.509 5.948 0 40 FKAB Clc1nc2ccccc2cc1CNc1cccc(OC[C@@H]2CCCO2)c1 58063252 OSUJXCSOGPYLMU-IBGZPJMESA-N 368.864 5.058 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc2c(c1)COC2 64385847 VEUAOZLLWCNBIX-UHFFFAOYSA-N 365.816 5.415 0 40 FKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc(Cl)ccc2c1Cl 72329784 ICKIACAKKXTULJ-UHFFFAOYSA-N 372.660 5.028 0 40 FKAB O=C1[C@H]2[C@@H]3CC[C@@H]([C@@H]2[C@@H]2[C@@H]4C[C@@H]([C@@H]12)[C@H]1[C@@H]2CC[C@H](C2)[C@H]41)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 100354193 YJUVCBGGFBYMBC-LTXLXSJHSA-N 362.557 5.048 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)N1CCS[C@H](c2ccccc2)CC1 206988295 AURVMVSHZLAAEZ-BLRBJFNZSA-N 357.906 5.060 0 40 FKAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222956507 RKQXWMRPSBMJSX-QGZVFWFLSA-N 365.517 5.119 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223017017 MVGTVGAENZFZTO-LJQANCHMSA-N 359.897 5.569 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 223029338 WLMBBNMPPGPVCV-NHCUHLMSSA-N 373.924 5.709 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 223764628 WFYBUZSYORNGCS-RTBURBONSA-N 353.506 5.023 0 40 FKAB C[C@@H](CNC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 224093080 ADWOZOSBWWHDTP-SFHVURJKSA-N 361.510 5.512 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cccc(C(F)(F)F)c1 224983785 UVUUYWPHMDGGGG-UHFFFAOYSA-N 369.386 5.231 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225907832 XVUSFNRHHCJKSW-QFIPXVFZSA-N 372.509 5.336 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 408628844 DHZNMCRBERUHRK-GOSISDBHSA-N 366.505 5.206 0 40 FKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccs1 409176998 AFMQZIVWQUXQML-GOSISDBHSA-N 356.830 5.183 0 40 FKAB COc1ccc(C(c2ccc(OC)c(C)c2)C(Cl)(Cl)Cl)cc1C 712376 FLEMTKOYBQUCPS-UHFFFAOYSA-N 373.707 5.823 0 40 FKAB Cc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 992855 PNIAFZNRBNVJOK-OAQYLSRUSA-N 364.828 5.429 0 40 FKAB COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccccc1 1384031 BNIVKJSVFNPEBZ-UHFFFAOYSA-N 362.376 5.322 0 40 FKAB CC(C)Sc1nc(SC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2115819 NKJTULGBFXYAKV-UHFFFAOYSA-N 368.593 5.544 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1cc(C)ccc1C)C3 2122276 ZUXSBRWLGGADDV-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic CCOC(=O)c1c(CSC(C)(C)C)oc2c(F)c(F)c(F)c(F)c12 2570634 JQFNHASLDYYLIM-UHFFFAOYSA-N 364.360 5.198 0 40 FKAB Cc1c(-c2ccc(F)cc2)nn(Cc2ccccc2)c1-c1ccc(F)cc1 2733455 MPJZLJLIHVMCSJ-UHFFFAOYSA-N 360.407 5.852 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1C 2961349 ZMMUCPXBHDCTFG-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB CCCc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)c(Cl)cc12 3239682 PRJYAFPBCKORRX-UHFFFAOYSA-N 363.240 5.631 0 40 FKAB Cc1cc(C)n(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)n1 3899980 RWJQLUAVWCBALN-UHFFFAOYSA-N 355.441 5.020 0 40 FKAB Cc1cccc(-c2nnc(NC(=O)CC34CC5CC(CC(C5)C3)C4)s2)c1 4079058 MQLBEHZJOUKNNT-UHFFFAOYSA-N 367.518 5.059 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1C 4176329 HXVDNYDWTHZHMQ-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2c1 4406447 UZBOFUSGPJRTHK-ZDUSSCGKSA-N 368.502 5.233 0 40 FKAB CC1=C(C)[C@H](c2c(-c3ccc(C)cc3)[nH]c3ccccc23)N(C(C)(C)C)C1=O 4700339 MEUFEFWMMAZNCD-HSZRJFAPSA-N 372.512 6.162 0 40 FKAB CCCC[C@](O)(c1ccccc1)[C@H]1CN(C(C)(C)C)[C@@H]1c1ccccc1 5045992 JGHGHADLIVEPGD-ZDXQCDESSA-N 351.534 5.536 0 40 FKAB O=C(c1ccco1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 5299732 DBCYXOXPCJCFJV-UHFFFAOYSA-N 370.380 5.015 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)OCC12CC3CC(CC(C3)C1)C2 5749546 PXDWOKKMMFCEFR-UHFFFAOYSA-N 354.277 5.758 0 40 FKAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C12CC3CC(CC(C3)C1)C2 6257508 DUUSQKQZPDYFBY-UHFFFAOYSA-N 373.456 5.045 0 40 FKAB COc1cccc2cc(/C=C(\CC(=O)O)c3nc4ccccc4s3)oc12 6560288 SOUFZCYXBXNFKZ-JLHYYAGUSA-N 365.410 5.066 0 40 FKAB COc1ccc(OCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 6752640 QGUAMDCEFAJOLR-UHFFFAOYSA-N 372.468 5.289 0 40 FKAB CCCCCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 7261017 NTTNUEWGCUEQEV-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 7404040 KIKMDAVMOHYZFJ-UHFFFAOYSA-N 352.843 5.225 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 8040814 QEDCIRQICPTZJC-MRXNPFEDSA-N 372.679 5.121 0 40 FKAB COc1cccc(CNC2CCCCCC2)c1OCc1ccc(Cl)cc1 8495293 ORWZBLYGRFXXCO-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(N[C@H](C)c3cccnc3)c2c1C 8706893 NHUFVIFJTUKXAU-GFCCVEGCSA-N 366.515 5.605 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 14258081 CCIZUCAPQACMFS-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1F 14649360 GJKNDCYIUPAZEF-UHFFFAOYSA-N 366.230 5.019 0 40 FKAB O=C(COc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1Cl 15543771 HJKAABLWZBHXOJ-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N(C1CCCCC1)C1CCCCC1 16428533 CSTJXRDQZKRGCR-UHFFFAOYSA-N 350.959 6.004 0 40 FKAB CCOc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c1 20380322 OZRJDTVYBRTKRZ-UHFFFAOYSA-N 370.861 5.555 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)CCc1ccccc1 20494353 UUUMTEFDDDQQFX-AVRDEDQJSA-N 361.485 5.135 0 40 FKAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30857793 CYGXLWZPHOACRL-KKSFZXQISA-N 369.505 5.028 0 40 FKAB CC1(C)C[C@@H](NCCC2(Cc3ccc(Cl)cc3)CCCCC2)CCO1 32089577 ARKOTUGWNRCWDA-FQEVSTJZSA-N 363.973 5.770 0 40 FKAB CC(C)CC[C@H](CCN[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 32094436 XFVIWMOPUHYFLJ-QUCCMNQESA-N 351.962 5.797 0 40 FKAB Cl/C(=C/c1ccc(Cl)cc1)c1ncc(-c2ccc(Cl)cc2)o1 33578254 YOXDAAUQQSFEPS-OQLLNIDSSA-N 350.632 6.385 0 40 FKAB Brc1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1 40239336 UGJQJUGBDURKQM-UHFFFAOYSA-N 363.258 5.514 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 44847313 GFFKRSWLJKLRRB-CQSZACIVSA-N 358.652 5.443 0 40 FKAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468342 DWXFDXKGPLIMIL-UHFFFAOYSA-N 362.864 5.508 0 40 FKAB F[C@@H]1CCCCCCCCCC[C@]12NCC1(O2)C2CC3CC(C2)CC1C3 98174873 DKTLWAYPDODIDS-VHVONKDCSA-N 363.561 5.750 0 40 FKAB C1=C2[C@H](CCC1)[C@H](c1ccc[n+](Cc3ccccc3)c1)O[C@H]1CCCC[C@H]21 101105818 VGZDMJBYELSMKA-ROHNOIKCSA-N 360.521 5.379 0 40 FKAB CC(C)c1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccco4)C3=C(O)C2)cc1 102402309 YAKNFRYRCNIQPA-IIBYNOLFSA-N 374.444 5.060 0 40 FKAB CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222979599 FMETUTJHATVOOM-INIZCTEOSA-N 353.531 5.557 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224423624 YPLFFEWDQBERTR-INIZCTEOSA-N 359.469 5.468 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225614196 YHBIVCBGPCACDD-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225695521 NKDVVOILPBZXLB-SFHVURJKSA-N 363.542 5.670 0 40 FKAB CCCCOc1c(C)cc(NC(=O)C2(OCC)CCCCCC2)cc1C 225712062 LRVACYGVKJXABF-UHFFFAOYSA-N 361.526 5.550 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCCCCC1 225712122 GFRVXDIPPWGXQN-GOSISDBHSA-N 361.526 5.549 0 40 FKAB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1Br 408613224 VWTZAVLXKGTSMK-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1Oc1ccccc1 408681599 YLNXLXSZLJQNSN-NRFANRHFSA-N 361.441 5.583 0 40 FKAB Clc1cc(CNc2ccccc2)ccc1OCc1cccc2ccccc12 409117613 OGPDVGQSCQAIBZ-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1C 990429 HXOIEJGMQPKDFK-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 1007254 SVNFXYVWHXDRJE-XLIONFOSSA-N 350.418 5.130 0 40 FKAB Cc1ccc(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)cc1 1797545 ZZVPNTIKQNDXAM-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB CCCC1CCC(C2CCC(c3noc(-c4ccccc4C)n3)CC2)CC1 2494979 ZVPPUXZYAYVPDE-UHFFFAOYSA-N 366.549 6.925 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2734327 WQYFCKSWYJSZRR-GOSISDBHSA-N 360.501 5.848 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl 3290659 LCKSIYWLECMHPJ-UHFFFAOYSA-N 370.104 5.543 0 40 FKAB Cc1cccc(NC(=O)c2oc3ccc(Br)cc3c2C)c1C 3429674 DMOUTCXWFMYKCD-UHFFFAOYSA-N 358.235 5.373 0 40 FKAB CC(=O)Nc1ccccc1-c1onc(-c2ccccc2)c1-c1ccccc1 3844655 FAQBVRSWZHLDAK-UHFFFAOYSA-N 354.409 5.634 0 40 FKAB biogenic CC[C@@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 4106657 WGCHZPAAZDBMAC-CQSZACIVSA-N 373.499 5.065 0 40 FKAB O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 4457914 JIJGTEWINPGDPP-UHFFFAOYSA-N 358.372 5.248 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3ccsc3n2)c1 4649865 KLNLDPPWZJPQQD-UHFFFAOYSA-N 368.849 5.360 0 40 FKAB C[C@@H](C(=O)Nc1cccc2ccccc12)c1ccc(-c2ccccc2)c(F)c1 4667794 GUHLANULFXUAFQ-QGZVFWFLSA-N 369.439 6.388 0 40 FKAB COc1ccccc1CNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C 4678451 NOFKRVFYWGDMQG-UHFFFAOYSA-N 369.468 5.375 0 40 FKAB Clc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c(Cl)c1 5006126 JSJWOQBOJNJOJA-NRFANRHFSA-N 367.279 6.349 0 40 FKAB COc1ccc([C@@](C)(OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 5714787 GAHXUHKFGIOQQX-XMMPIXPASA-N 370.533 5.906 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 6204883 HFTBTTIIHIWREM-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1ccc(Cn2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 6465878 OPQPZPXDSBGMPN-UHFFFAOYSA-N 372.493 5.046 0 40 FKAB CN1CC2=C(N=C1SCc1ccccc1)c1ccccc1CC21CCCC1 6996308 XOBPCHZHQZBLPX-UHFFFAOYSA-N 374.553 5.749 0 40 FKAB Cc1nc(COc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cs1 7921452 UWOPKRLWYZVMHK-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CC(C)c1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 8328364 ZZLVDERBTOJKPB-QGZVFWFLSA-N 353.491 5.259 0 40 FKAB COc1cc(CNC2CCCC2)ccc1OCc1c(F)cccc1Cl 8471320 AMCOMKBWUVZGSQ-UHFFFAOYSA-N 363.860 5.099 0 40 FKAB Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)cc1 8586519 JDOBCJNATSZOPE-UHFFFAOYSA-N 351.837 5.282 0 40 FKAB Cc1ccc(C)c(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 8594396 PJPHRPOVJSSXQE-NRFANRHFSA-N 373.431 5.694 0 40 FKAB COc1cc(CNC(C)C)cc(Cl)c1OCc1ccccc1Cl 10436003 ZXLOSDVMFWYKJC-UHFFFAOYSA-N 354.277 5.079 0 40 FKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nccn3C(F)F)c2n1 12540982 OMLPFVYHAKJEPO-UHFFFAOYSA-N 358.175 5.021 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 13709996 JZQIGWNHNNAHSL-OAHLLOKOSA-N 367.832 5.538 0 40 FKAB COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1OC 14065960 FONXCZSCABPFNM-UKTHLTGXSA-N 357.409 5.682 0 40 FKAB CCc1cccc(CC)c1NC(=O)Cc1csc(-c2cccs2)n1 14111122 GVBJODRKIYAPGO-UHFFFAOYSA-N 356.516 5.178 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(F)c3)o2)cc1Cl 17073539 OBBHWICPERZABT-CSKARUKUSA-N 355.796 5.699 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21)c1ccccc1 17952810 MHYNSJVWRVYYJJ-GHSBBIOCSA-N 372.512 5.540 0 40 FKAB aggregator CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccccc1 20486018 XNDMKNRYYVNRSU-XMSQKQJNSA-N 361.485 5.511 0 40 FKAB C[C@H](c1cccs1)N(C)CCC(=O)Nc1c(Cl)cccc1Cl 22200069 CINVRVUNMMBWNM-LLVKDONJSA-N 357.306 5.077 0 40 FKAB O=C(C(c1ccccc1)c1ccccc1)N1CCCSc2ccccc21 23228311 HRIFBGWTGMTGCD-UHFFFAOYSA-N 359.494 5.348 0 40 FKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3Cl)o2)cc1C 33027692 BISQQMFNLBGARW-UHFFFAOYSA-N 353.849 5.788 0 40 FKAB CCCN(C(=O)[C@H]1CC=CCC1)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 40150685 BXKPEVPFNLVXDL-OALUTQOASA-N 366.505 5.081 0 40 FKAB CC1=C[C@]2(Nc3cc(C(C)C)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40544793 GOHVJAVOBNEUFS-HSZRJFAPSA-N 373.456 5.258 0 40 FKAB Cc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(F)cc1 67341676 REYOSQCBONJROS-UHFFFAOYSA-N 370.840 5.159 0 40 FKAB Cc1cc(C)c(CC(=O)c2cc3cc(Br)ccc3o2)c(C)c1 68603806 YHELAGMDFWUQNY-UHFFFAOYSA-N 357.247 5.546 0 40 FKAB biogenic CCN(CC)c1cc(NC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1N 72229181 RLZDUPRRSVUATH-UHFFFAOYSA-N 359.901 5.144 0 40 FKAB CCn1cc(C(=O)Nc2ccsc2[C@@H](C)CC(C)C)c(C(F)(F)F)n1 91301184 LSHDQQKTEZPMAM-NSHDSACASA-N 373.444 5.385 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)c1ccccc1 223395165 MRYUMBAGRFIDKA-PTGBLXJZSA-N 355.481 5.365 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223473366 KFDCANCNGLQSGH-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 248097465 OEEUMMUJRBYRAO-NQIIRXRSSA-N 364.832 5.484 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3cccc(-c4cccc(C(=O)O)c4)c3O2)c1 257207685 BITPXFYBVVVENQ-RUZDIDTESA-N 372.464 5.687 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1Cl 408573856 OYWXCLJBUUUMBA-ZRDIBKRKSA-N 358.224 5.905 0 40 FKAB Fc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1 904207 WCOTXILZLTVBIE-UHFFFAOYSA-N 374.257 5.257 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc(C)c1C 1053021 JWYNRLYNYAJVTD-UHFFFAOYSA-N 372.273 5.101 0 40 FKAB O=C(c1ccc(Cl)cc1)c1onc(-c2ccccc2)c1-c1ccccc1 1593390 MQEVCGJFVFAQNO-UHFFFAOYSA-N 359.812 5.893 0 40 FKAB COc1ccc(Cl)cc1NC(=O)C(c1ccccc1)c1ccccc1 3192526 KZKCQTMVRAUXCQ-UHFFFAOYSA-N 351.833 5.119 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2)N3)C1 4545524 QZOSEPWFZKOMPW-RDTXWAMCSA-N 354.519 5.718 0 40 FKAB CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 4578910 GLGSPOATOUUCTE-XQQXVUDOSA-N 354.490 5.063 0 40 FKAB Cc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4)c(C)c3)nc2c1 5747598 NZZLHLRBYLMWEL-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](C1CCCC1)Cc1ccccc1-2 5807075 HCBYMXRNQWBYOW-KRWDZBQOSA-N 354.519 5.159 0 40 FKAB Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(C(C)C)cc1Cl 5938544 XWOSEFNWPKZVRT-HXUWFJFHSA-N 371.908 5.344 0 40 FKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1 6226116 WDJLGINDJZGZTF-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 6922581 IANSRUWXYBNIJB-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1Cl 7461673 SBBQDPNSDGWJAX-UHFFFAOYSA-N 364.879 5.094 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 8051074 XZQRZNBUCNHARO-GOSISDBHSA-N 361.441 5.502 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2c(c1)CCC2 8395534 YLLUXBSBWVFRNN-UHFFFAOYSA-N 370.477 5.704 0 40 FKAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 10229392 OBNLJZTZVKVCMM-VUCTXSBTSA-N 373.374 5.433 0 40 FKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1Cl 10408787 GKOPVVADBUWKLT-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB COc1ccc(CCNc2ncnc3scc(-c4ccccc4)c23)cc1 12615453 JPHRDVKYBYREAZ-UHFFFAOYSA-N 361.470 5.022 0 40 FKAB Cc1oc(-c2cccs2)nc1CSc1nnc(-c2cccs2)o1 12796193 SPQVFXGPBXKDFI-UHFFFAOYSA-N 361.473 5.115 0 40 FKAB O=C(NCc1ccc(Cl)cc1)c1sc2cc(F)ccc2c1Cl 16024432 ZXAPCTJXVLGTLH-UHFFFAOYSA-N 354.233 5.277 0 40 FKAB Fc1ccc(NC(=S)Nc2cccc(Br)c2)c(Cl)c1 16941969 QHGJCXCFJKIFIP-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3)c2)c1 19690799 FQJOCXGSUTYGEB-DEOSSOPVSA-N 370.496 5.267 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 20238563 QDWLSPQAFDNNLH-INIZCTEOSA-N 373.949 5.302 0 40 FKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 22519121 PLASDQOWLXXYEB-OAQYLSRUSA-N 365.404 5.414 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccc(Cl)s1 23643970 UNVBCRHCHNJVKS-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB COc1ccc(-c2c3c4n(c(-c5ccc(C)cc5)cn4c2C)CCCC3)cc1 27299377 WXFYQWOTYYCTSP-UHFFFAOYSA-N 370.496 6.037 0 40 FKAB Brc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1 31903316 VHHYWZISGVJRCW-UHFFFAOYSA-N 369.287 5.576 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCCCCC2)cc1 38834089 QPJIGTYDEWGJMW-UHFFFAOYSA-N 358.485 5.468 0 40 FKAB CCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 40104011 VVGVKQWTELQLPI-UHFFFAOYSA-N 367.493 5.034 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1C 44856407 ZKNQJRWTDLSMKQ-FXAWDEMLSA-N 364.533 5.026 0 40 FKAB CC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2)c2cccs2)cc1 57452033 GCCXHBLLOYYNTR-JOCHJYFZSA-N 364.514 5.189 0 40 FKAB O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC[C@H]1c1ccsc1 60674374 PQSHWLRGLMBKTJ-LBPRGKRZSA-N 364.879 5.095 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1c(Cl)nc2ccccn12 69349221 SGFHCTBETKPHTQ-UHFFFAOYSA-N 363.804 5.032 0 40 FKAB Cc1ccc(Nc2nc(C)c(C(=O)NCc3ccccc3C)s2)c(C)c1 71326644 UJHFTGMAXJAEOD-UHFFFAOYSA-N 365.502 5.050 0 40 FKAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccnc1Nc1cccc(F)c1 84372630 LOCPPKKXKIVNSU-FRQCXROJSA-N 367.468 5.053 0 40 FKAB CCOc1cc(CO)cc(Cl)c1OCc1c(Cl)cccc1Cl 95095029 ZXGNESUJUPJYHF-UHFFFAOYSA-N 361.652 5.117 0 40 FKAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccccc2Cl)s1 96024499 HHOVRMLRZWDZSA-UHFFFAOYSA-N 356.878 5.010 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219607845 VJHPQJCQKNJXBP-FQEVSTJZSA-N 373.880 5.458 0 40 FKAB C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222903496 GJUJGUZTYHFNHP-AWEZNQCLSA-N 359.922 5.188 0 40 FKAB Cc1ccc(CSCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223399631 VIMMQJQXZAZNRS-UHFFFAOYSA-N 361.466 5.766 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223466999 CBYFOKRVQOFICK-TZIWHRDSSA-N 353.506 5.264 0 40 FKAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1 224279021 KPOIMQCDXRISCI-UHFFFAOYSA-N 363.888 5.098 0 40 FKAB CCSc1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225332459 ZIEASXBVEKVAHL-UHFFFAOYSA-N 354.302 5.677 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225705829 PPZPZRJVJZELKW-LJQANCHMSA-N 355.906 5.443 0 40 FKAB Cc1ccccc1C(=O)n1c2c(c3cc(Br)ccc31)CCCC2 227158317 OQFGRJOIGDRPAH-UHFFFAOYSA-N 368.274 5.280 0 40 FKAB Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 245227124 BCRCBMUYJMQKMF-UIOOFZCWSA-N 370.540 5.143 0 40 FKAB CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(C)cc1 254740009 IOPBXWVGCLFARM-UHFFFAOYSA-N 373.319 5.540 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OCC 409113477 GFNMYHNWHOJYQD-UHFFFAOYSA-N 363.885 5.538 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 409113731 FBCLAFOFDVWRPO-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1sc2nc(-c3ccc(F)c(F)c3)nc(O)c2c1-c1ccc(F)cc1 515610096 SJBADRRDJROLFF-UHFFFAOYSA-N 372.371 5.457 0 40 FKAB COc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)o2)cc1 857426 LJCZYKPVCLBCFW-UHFFFAOYSA-N 354.475 5.335 0 40 FKAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccc(C)cc1 906807 ARUXXBNUJALWPF-UHFFFAOYSA-N 372.925 5.164 0 40 FKAB Cc1ccccc1COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 2107512 IVCQGGHCYBBAGW-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB biogenic COc1ccc([C@@H](CCNCc2ccc(OC(C)C)cc2)C(C)C)cc1 2332184 BPBDVEZZLKLLGN-QHCPKHFHSA-N 355.522 5.402 0 40 FKAB Clc1cccc(Nc2ncnc3c2oc2ccc(Br)cc23)c1 2432557 PXVOHLSBSYSMNS-UHFFFAOYSA-N 374.625 5.536 0 40 FKAB COc1ccc(C)cc1N(C(=O)c1ccccc1)c1nc2ccccc2s1 3547583 KVVNUPFHUMMZRU-UHFFFAOYSA-N 374.465 5.592 0 40 FKAB aggregator CCCCSc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 4622516 LMSORBLUXQUHIU-UHFFFAOYSA-N 353.487 6.010 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@]12C 5166616 BUIQHUBDLNDWCY-WDCLZLQXSA-N 354.481 5.596 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6215657 ONZIUJHCEFRNKG-OAHLLOKOSA-N 367.832 5.538 0 40 FKAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)c(C)c1 6613390 YEQWGTYJNDHOME-UHFFFAOYSA-N 369.515 5.028 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(C)c1 6832161 VFPMRAWSMHVTLI-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB c1csc(-c2cc(CN3CCC[C@H]3c3nc4ccccc4s3)no2)c1 7359853 DAUNTDLYHKTTKN-HNNXBMFYSA-N 367.499 5.350 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 7670847 NPMDHKDVXJGDFC-UHFFFAOYSA-N 350.399 5.224 0 40 FKAB CCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 8186772 OHAPNYMLHXZSOY-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB Clc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]2)cc1 9059804 WXXZOHKQTMILDQ-UHFFFAOYSA-N 369.855 6.317 0 40 FKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)cc1 15729445 LWRHGTPVCUZTIZ-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB biogenic Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 20759806 XCNWQCGOXXLXIN-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC 28342235 ROFVEVFCNPGNKS-JDPCYWKWSA-N 356.550 7.027 0 40 FKAB CCCN(C(=O)CCc1ccc(C(C)C)cc1)c1nc(C)c(C(C)=O)s1 36613881 GTSHMCIRBAIQFU-UHFFFAOYSA-N 372.534 5.153 0 40 FKAB CSc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 38753241 WNPLIHZJUYKOAO-UHFFFAOYSA-N 372.342 5.587 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(OC)cc1 59256481 KFSLEBNUIVGWHL-UHFFFAOYSA-N 368.458 5.213 0 40 FKAB Fc1cccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)c1 59409112 LFEFAVJSPKMAEU-OAQYLSRUSA-N 364.445 5.102 0 40 FKAB CCN(CC)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 67321821 VFXKYZNWAAITLD-UHFFFAOYSA-N 357.910 6.053 0 40 FKAB c1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1 95437971 BVSFFUQHCGBICH-UHFFFAOYSA-N 356.472 5.260 0 40 FKAB O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@H]1c1cccs1 95939604 CMXBLZFXRUIUNU-INIZCTEOSA-N 372.902 5.455 0 40 FKAB Oc1nc(/C(Cl)=C\c2ccccc2Cl)nc2ccc(Cl)cc12 97015650 UFPYVZVCNPIVRJ-NTUHNPAUSA-N 351.620 5.379 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(Cl)cc1)C(C)(C)N2 100144869 VQIKUVSZYLIJJI-DYTRJAOYSA-N 372.946 6.331 0 40 FKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2[C@H]1c1ccsc1 102229935 XOMUHERBRRTMMO-HXUWFJFHSA-N 356.454 5.063 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)NCc1cccc2ccccc12 222828257 IQZKLXQHXBLIJK-UHFFFAOYSA-N 355.890 5.292 0 40 FKAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1Cl 224804250 JVFFOYJQIUDAQP-OAQYLSRUSA-N 365.860 5.176 0 40 FKAB O=C(CSCc1cccc2ccccc12)NCCc1ccc(Cl)cc1 224953340 OZOCZSCKBQGKOK-UHFFFAOYSA-N 369.917 5.085 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255730 YKPLETPWQQSUGM-UHFFFAOYSA-N 363.420 5.635 0 40 FKAB O[C@@H](c1cccc(Br)c1)c1ccc2c(c1)oc1ccccc12 226296592 UJBJNCHRMVVGTR-IBGZPJMESA-N 353.215 5.430 0 40 FKAB Clc1ccc(C2=N[C@@H]3SC(c4ccc(Cl)cc4)=N[C@@H]3S2)cc1 226757323 PTLPAFCOKOUSQS-HZPDHXFCSA-N 365.310 5.333 0 40 FKAB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 245297257 RZCHUWOWWZKPOH-ALQCLRNSSA-N 374.528 5.465 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1F 408561758 KXRBGDUVAFPGOE-QOCHGBHMSA-N 374.868 5.079 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408993965 DXXONJSEWHPLIJ-OAHYMWEZSA-N 363.457 5.080 0 40 FKAB c1cc(OCc2cccc3ccccc23)cc(-c2nc3ccccc3s2)c1 409196375 ZUBMFNLRGBKXDC-UHFFFAOYSA-N 367.473 6.696 0 40 FKAB COc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 714701 YKXNMKLQVYSFAY-UHFFFAOYSA-N 373.481 5.235 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3ccccc3n2)cc1 859805 FCQNMDFTOVJTHO-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccccc1 974109 OQYXEXLGOTTWTA-UVTDQMKNSA-N 365.401 5.111 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)cc1 1263815 OCSAVBNEZZHGNE-UHFFFAOYSA-N 368.786 5.211 0 40 FKAB Cc1ccccc1N[P@]1(=O)OCCCN1Cc1ccc(Cl)cc1 1674399 SUXIXFFDAWGPIE-QHCPKHFHSA-N 350.786 5.091 0 40 FKAB CCCCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 2195618 YAXCVXNFSMHUSA-UHFFFAOYSA-N 360.479 5.580 0 40 FKAB Cc1ccc(-c2nc3sc(C)c(C)c3c(=O)n2-c2ccc(C)cc2)cc1 2412257 WFJVKNINUAVYOI-UHFFFAOYSA-N 360.482 5.348 0 40 FKAB Cc1sc2ncnc(NCc3ccc(Cl)cc3)c2c1-c1ccccc1 2887004 ZEZHOYWYIGOGOP-UHFFFAOYSA-N 365.889 5.932 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 3278990 NMDBRVWTUUHFEH-LFIBNONCSA-N 374.459 6.024 0 40 FKAB O=C(CSc1c(Cl)cccc1Cl)N[C@H]1CCCc2ccccc21 3424198 RHMVLLIBVRPCQJ-INIZCTEOSA-N 366.313 5.279 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 3849960 YNJRCCQKMDWYDP-LMLIYYBPSA-N 360.582 6.233 0 40 FKAB biogenic O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Cl)s2)cs1 4078626 MPEDPGZFEIKOKP-ZZXKWVIFSA-N 352.893 5.238 0 40 FKAB Cc1nc2c(ccc3nc(Nc4nc5c(F)cccc5s4)sc32)s1 4137682 MDGVEPMBPHVKPA-UHFFFAOYSA-N 372.475 5.707 0 40 FKAB O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)C[C@@H]1CC=CCC1 4195820 JEHYSAFUPPLRFZ-GOSISDBHSA-N 354.881 5.730 0 40 FKAB Cc1nc(Nc2ccc3nc(C)sc3c2)c2c3c(sc2n1)CCC3 4883245 LYCUZZWCQWRQTP-UHFFFAOYSA-N 352.488 5.150 0 40 FKAB CC(C)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 6346339 PLCBAMPJVXAUFJ-LICLKQGHSA-N 357.862 5.704 0 40 FKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Oc1cccc2cccnc12 6653509 ITJXCHODRGMSQB-UHFFFAOYSA-N 364.404 5.536 0 40 FKAB Cc1nc2cc(NCc3ccc(C(C)C)cc3)ccc2n1Cc1ccccc1 8618283 ZFVRJLSNCJVMEX-UHFFFAOYSA-N 369.512 6.129 0 40 FKAB Cc1ccc2c(c1)CCCN2CCC(=O)Nc1c(Cl)cccc1Cl 12633278 YPWVDPYHPJZYQK-UHFFFAOYSA-N 363.288 5.083 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1SCC(F)(F)F 12849643 DRFIPWAEDQYRNX-JXMROGBWSA-N 355.356 5.132 0 40 FKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccs2)cc1 14866794 GUXSQQFSVNJOCG-UHFFFAOYSA-N 359.834 5.455 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(F)cc1)c1ccc(Cl)cc1 15019364 OKCFRDHUSMHJPO-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3cccs3)cc12 16993254 BJSRFYSVVYQSHF-UHFFFAOYSA-N 361.422 5.286 0 40 FKAB biogenic C[C@@H]1CC(=O)c2c(Nc3ccc4ccccc4c3)nn(-c3ccccc3)c2C1 20672027 INWWIJKUMGZHFS-INIZCTEOSA-N 367.452 5.534 0 40 FKAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 22526315 RWSZFSSVWQBCKW-UHFFFAOYSA-N 367.445 5.490 0 40 FKAB C[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 22996669 VKDWFBDGQAUTAA-QMMMGPOBSA-N 352.303 5.368 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1Cc1ccccc1 25518909 MCWJWCZZLWQAGQ-INIZCTEOSA-N 368.527 5.027 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795264 FPQXAIWWMREIIN-UHFFFAOYSA-N 369.848 5.569 0 40 FKAB O=C(CCCc1nc2ccccc2s1)N1CCC[C@H]1c1ccc(F)cc1 32901523 YZQCJHHQCRKWES-SFHVURJKSA-N 368.477 5.122 0 40 FKAB Cc1ccc(-c2noc(-c3cccc(NC(=O)c4cccs4)c3)n2)cc1 33012739 YTCFZUOFCINMPX-UHFFFAOYSA-N 361.426 5.026 0 40 FKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C)cc2C)ccc1O 35615801 ICAUTJOYJZMNLW-UHFFFAOYSA-N 373.456 5.384 0 40 FKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[C@H](C)CC(C)(C)C4)[C@H]3C=C12 38140883 PYBYTHWIXNGPQO-VKWILWGTSA-N 373.581 5.059 0 40 FKAB biogenic CC(C)N(C(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1Cl 58267952 QYENHAJMVDDOTR-UHFFFAOYSA-N 374.868 5.658 0 40 FKAB C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc(-c2ccccc2)o1 74236235 RXWRXMPWAQOPFI-GFCCVEGCSA-N 362.260 5.236 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223095927 ZXBIYXGXPKCYPU-QVKFZJNVSA-N 371.908 5.254 0 40 FKAB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)CCC2 223207624 QTWZOXLSSHLHFM-SFHVURJKSA-N 371.480 5.245 0 40 FKAB CCCNC(=O)c1ccc(OCC)c(COc2ccc(C(C)(C)C)cc2)c1 224517716 QXNKJMQYGIPMDU-UHFFFAOYSA-N 369.505 5.102 0 40 FKAB S=C(NCCSCc1cccc(Cl)c1)Nc1cccc(Cl)c1 225298388 NAPXACLZADFYSA-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1 225503906 BSUHIYZBBPZVKB-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl 225546778 VMXFMPVGGOZUHK-UHFFFAOYSA-N 361.844 5.328 0 40 FKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2cccnc12 225860707 HXRFJDDYNOQANN-UHFFFAOYSA-N 360.457 5.002 0 40 FKAB CCOc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCC 408621668 PCNOOKCJPMOAAX-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C 408701548 ZOBKRPRSPPDCCK-UHFFFAOYSA-N 361.507 5.051 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(C)cc1 408827816 VAIXRQCKUOMMFU-UHFFFAOYSA-N 370.905 5.977 0 40 FKAB CCCn1c(SCCOc2ccccc2)nnc1-c1ccc(Cl)cc1 409094274 DDLDJJAJSGUJCK-UHFFFAOYSA-N 373.909 5.180 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c(C)c1 409116458 NVSIUHZGYNXPQN-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)ccc21 682998 GRZYXAPIWJPJAM-QGZVFWFLSA-N 372.468 5.529 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl 822926 JHYUVZFLNDHNLZ-UHFFFAOYSA-N 365.043 5.318 0 40 FKAB COc1ccc(-c2nc(C)nc3c2Cc2c(ccc4ccccc24)O3)cc1 1567142 MRZXPFBOTROMQJ-UHFFFAOYSA-N 354.409 5.310 0 40 FKAB Cc1cc2c(-c3ccc(Cl)cc3)oc(-c3ccc(Cl)cc3)c2cc1C 1583167 UGQCJHQQMZPQLQ-UHFFFAOYSA-N 367.275 7.690 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 2364534 GWWNHPTXJAWKAF-RBZFPXEDSA-N 354.885 5.170 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccccc2)cs1 3480784 JILAJNMSXGFQFI-UHFFFAOYSA-N 361.426 5.026 0 40 FKAB aggregator Cc1nc2ccc3nc(NC(=O)c4ccccc4Cl)sc3c2s1 3899343 GENJRUSHOQMWFZ-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB CC(C)CN(CC(C)C)C(=O)N1c2ccccc2Sc2ccccc21 4740524 JHPAMBXUQJRLGI-UHFFFAOYSA-N 354.519 6.023 0 40 FKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(Cl)cc3)c2Cl)cc1 6083184 YRMUOOHYAKZTRJ-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1 6423160 HLHAJMDRERYRAE-UHFFFAOYSA-N 372.493 5.420 0 40 FKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 6627950 XOEIAJPJFASTOM-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1cc(NC(=S)Nc2cccc(Cl)c2C)ccc1Br 6963710 UPBUAJLRMXVESR-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB COc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1 8495533 KGFIQTBURADGHR-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccc(F)cc2s1 9502444 LOWPIEFRIQEQIM-UHFFFAOYSA-N 369.417 5.334 0 40 FKAB Cc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2F)c2cccs2)cc1 12822200 NEAXUWVAOHUNLT-GOSISDBHSA-N 358.413 5.246 0 40 FKAB O=C(CCc1nc2ccccc2s1)N[C@H](c1ccc(Cl)cc1)C1CC1 12999452 DSQWMSHSTARAQN-FQEVSTJZSA-N 370.905 5.150 0 40 FKAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1 13801331 RLARHZAYZRFUKL-BZZOAKBMSA-N 374.484 5.831 0 40 FKAB O=C(NCCSCc1cccs1)Nc1ccc(Cl)c(Cl)c1 15513033 PUXVNPNCKBSQTG-UHFFFAOYSA-N 361.319 5.110 0 40 FKAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccsc2)cc1 15581272 CSXVAFNOYHXRHV-UHFFFAOYSA-N 363.461 5.030 0 40 FKAB C[C@H](NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1 30545620 DGJINWLLOGLFFH-KRWDZBQOSA-N 358.441 5.258 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)ccc1Cl 32611702 OAXOPMOBOBKRGH-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44837945 RYZYHVYIULPHBB-UHFFFAOYSA-N 369.468 5.825 0 40 FKAB CC(C)(C)c1ccc(NC(=O)Nc2ccc(CCc3ccccn3)cc2)cc1 59484695 FEWMFMNPOMFRPZ-UHFFFAOYSA-N 373.500 5.808 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)cc1 72229166 CDMJPJZJXYLCQY-UHFFFAOYSA-N 371.912 5.288 0 40 FKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1scnc1C(C)(C)C 72313520 QEGYVMONDFUKDL-UHFFFAOYSA-N 357.932 5.210 0 40 FKAB O=C(/C=C/c1ccccc1Cl)N1CCS[C@H](c2ccccc2)CC1 211139246 RVTALNCDYOUTOG-VYENPZKTSA-N 357.906 5.060 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219319981 WWUMRKIPEXJVQF-QFIPXVFZSA-N 353.506 5.025 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219369635 SZSMXOXOZJYEBP-NHCUHLMSSA-N 353.506 5.345 0 40 FKAB O=C(NCc1ccccc1Cl)c1cc2cc3ccccc3nc2s1 223126920 IERIWNZCJCUBFW-UHFFFAOYSA-N 352.846 5.033 0 40 FKAB CCCOc1ccc(C(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 223609921 OFBNHRUVNBOVOT-FQEVSTJZSA-N 367.489 5.288 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(C)cc(C)cc1C 224362677 LXFBNKDWSRKXNT-NRFANRHFSA-N 351.490 5.287 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCC2)cc1 224938676 CZUQPVUVJJLZRD-UHFFFAOYSA-N 363.288 5.165 0 40 FKAB S=C(NCCSCc1ccccc1Cl)Nc1ccc(Cl)cc1 225295486 OIBYGMNBLWCVFW-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCCCC2)cc1 225541780 KJBKBFXKZYGSHO-UHFFFAOYSA-N 351.490 5.623 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225545935 DUIABIJQYRKXOR-UHFFFAOYSA-N 355.453 5.373 0 40 FKAB Cc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c(C)c1 225567669 SZTVJJUQVJXCBB-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB O=C(NC1CCCCCC1)c1cccc(OCc2ccccc2Cl)c1 225777036 WCCQEJKXEKLLFA-UHFFFAOYSA-N 357.881 5.372 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)oc2c1 408628169 QFEURDAZYFVONS-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccc(C)c(Cl)c3)ccc2c1 408830295 PGFJRPNXXSYHQC-UHFFFAOYSA-N 365.860 5.712 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 409099682 SAABYXAHJBFJEQ-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB CCCc1nn(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1Cl 633098 DHOCQVQUBGOBTP-UHFFFAOYSA-N 369.852 5.071 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)c(C)c1 989737 OXZNOZTZBRXNQE-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1c2ccccc2C[C@H]1C 2637631 SEMQTYJRSFNMCM-QGZVFWFLSA-N 350.506 5.323 0 40 FKAB COC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1cccs1 2703421 VVOYVSVXQXQQLO-UHFFFAOYSA-N 350.852 5.370 0 40 FKAB Clc1cccc([C@@H]2C=C(c3cccnc3)Nc3nc4ccccc4n32)c1 2914889 YDRQPGZYSVWTFA-FQEVSTJZSA-N 358.832 5.141 0 40 FKAB CCCOc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 3388795 VVBRGIUTRZVDKW-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB CN(C)c1nc(Sc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 3469904 PBAXYVMAJABOJP-UHFFFAOYSA-N 368.211 5.019 0 40 FKAB CCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1 3898219 ANZWKRPCIPJRIX-DEOSSOPVSA-N 356.469 5.613 0 40 FKAB CCC(=O)c1cccc2cccc(C(c3ccccc3)c3ccccc3)c12 5733871 AUUSKWKEITVBOY-UHFFFAOYSA-N 350.461 6.613 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1cc(C)ccc1NC(=O)[C@H](CC)CCCC 6042863 QAMZKPKUBRNWOQ-MOPGFXCFSA-N 374.569 6.305 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](NC2CCCCCCC2)c2ccccc2)c1 6086201 IACXPJCORYNWDA-HSZRJFAPSA-N 364.533 5.686 0 40 FKAB Fc1cccc(Cl)c1CSc1nnc(-c2c[nH]c3ccccc23)o1 6283465 DLXKGLQMCXGGKS-UHFFFAOYSA-N 359.813 5.303 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3c(C)noc3C)cc2)c(C)c1 7007214 PFVUHJXWLFJKLM-UHFFFAOYSA-N 352.459 5.312 0 40 FKAB CCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 7261642 JKUUNAGPGYOWCR-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 8771953 NPQCOXQSPGUGTI-ZHRRBRCNSA-N 362.473 5.103 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 9141474 OZHPZMGJENEFKT-VIFPVBQESA-N 355.331 5.017 0 40 FKAB O=C(CCCSc1ccccc1)Nc1nc(-c2ccccc2)cs1 10217797 NMCILJLIWXWFQT-UHFFFAOYSA-N 354.500 5.321 0 40 FKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 15008845 GGAVJWUCASHWMZ-JOEZZVDMSA-N 369.873 5.523 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1nc2ccc(C)cc2s1 17154581 FBUNUJYOKWGOSI-UHFFFAOYSA-N 362.454 5.409 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20451617 UWFWMYMIOQJDBM-NHCUHLMSSA-N 369.505 5.065 0 40 FKAB Cc1cc(NCCC2=CCCCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798870 RYFDSPQOWOQUQX-UHFFFAOYSA-N 364.468 5.455 0 40 FKAB O=C(c1cc(Cl)ccc1Cl)N(Cc1cccc2[nH]ccc12)C1CC1 32101720 HTFZVNXUCBDUGW-UHFFFAOYSA-N 359.256 5.280 0 40 FKAB CCc1ccccc1N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35040422 XFAOICCAJKRSPB-LFIBNONCSA-N 359.903 5.308 0 40 FKAB CCOC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 41127439 UCEDYMFCFRLVLX-UHFFFAOYSA-N 357.409 5.267 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 44901933 PUKNPXUHRHOFRR-CQSZACIVSA-N 358.652 5.443 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761378 FTUKNMIKNHHMND-UHFFFAOYSA-N 358.410 5.116 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214073 RHEVABRCOWJVAW-OAQYLSRUSA-N 373.456 5.299 0 40 FKAB COc1ccccc1[C@H]1Nc2ccccc2[C@@H](c2ccc(Cl)cc2)O1 72314745 MZNGQDAXXCMZSN-RTWAWAEBSA-N 351.833 5.579 0 40 FKAB O=C(NCCc1cccc2ccccc12)N1CCCCC[C@@H]1c1ccncc1 84598403 JOSJPVUJMDYMKQ-HSZRJFAPSA-N 373.500 5.104 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c1 95436508 HIUKMCTVWGLFTF-UHFFFAOYSA-N 354.450 5.211 0 40 FKAB Cc1csc(N(C(=O)[C@H](C)OC2CCCCCC2)c2ccccc2)n1 95965956 IPDOFIVMFFOYMJ-INIZCTEOSA-N 358.507 5.244 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1Cl 222853169 CAHOLDBBTQXPRQ-OXQOHEQNSA-N 359.897 5.319 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224472055 JRSAKVATGBAYHV-QFIPXVFZSA-N 374.484 5.085 0 40 FKAB CC(C)c1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225045806 PQTZKVGPBNXTCP-HSZRJFAPSA-N 360.453 5.552 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525251 AXSJIJWLMKVMNP-UHFFFAOYSA-N 357.881 5.578 0 40 FKAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c2ccccc12)C1CC1 225859149 ZPBZHHYPQRFNNB-HSZRJFAPSA-N 369.505 5.408 0 40 FKAB CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC 409373598 XNIFAHAGAJNMIY-UHFFFAOYSA-N 373.758 5.018 0 40 FKAB CC(C)CCC[C@]1(C)Oc2cc(CCC(=O)O)ccc2[C@@H]2OCCC[C@H]21 585265558 JHQVOSBPECFUCD-COPCDDAFSA-N 360.494 5.149 0 40 FKAB COC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 694609 VFTSPBIZPXLWMF-UHFFFAOYSA-N 358.850 5.302 0 40 FKAB CCN(CC)CCCCCCCNc1cc(OC)cc2c(C)ccnc12 1568077 ZFEGQNGGNPZFFS-UHFFFAOYSA-N 357.542 5.256 0 40 FKAB Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2 2569331 WRNGAZFESPEMCN-UHFFFAOYSA-N 356.419 6.852 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Cl 3387808 AGBDOPORALZFOH-ZIAGYGMSSA-N 359.853 5.038 0 40 FKAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3c(Cl)cccc3Cl)c2C1 3909365 SLFQTQINQKOUFO-JTQLQIEISA-N 367.276 5.385 0 40 FKAB CSc1nc(Oc2ccc3ccccc3c2)c2sc3ccccc3c2n1 4092647 JHSLUMGKQXIHIC-UHFFFAOYSA-N 374.490 6.512 0 40 FKAB CCCCc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 4122109 YARAYRKWQANYIK-UHFFFAOYSA-N 365.517 6.094 0 40 FKAB Fc1ccc(Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1Cl 4744673 VAXJDUHFDHGLGF-UHFFFAOYSA-N 363.889 5.542 0 40 FKAB COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1 6340276 GSVGPDRVZHLHIQ-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1sc(NC(=O)/C=C/c2ccccc2F)nc1-c1ccc(Cl)cc1 6825233 PMPAJCOHWJVKON-DHZHZOJOSA-N 372.852 5.563 0 40 FKAB COc1ccc(Cl)cc1-c1nnc(SCc2ccc(Cl)cc2)o1 7605064 TZDZZKRHBMNALJ-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCCCN(CC)c1ncnc2c1sc1nc(CCC)c3c(c12)CCC3 8625587 PSWHRHCKHYIZHU-UHFFFAOYSA-N 368.550 5.307 0 40 FKAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@H]([C@H](C)O)[C@@]4(C)CC[C@H]32)C1 8635193 ICYUGIVDALUVGV-HSGKXTMCSA-N 360.582 5.621 0 40 FKAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 9455016 YPHLYQXAAVYGSN-UHFFFAOYSA-N 374.465 5.660 0 40 FKAB COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccccc3)C[C@@H]21 12193245 DKBPNDJWRAYOEL-NZQKXSOJSA-N 374.415 5.077 0 40 FKAB Cc1ccsc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 12389512 IUEIBDDYUNOXFP-UHFFFAOYSA-N 367.286 5.197 0 40 FKAB OC(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)c1cccnc1 12653748 VRRLMPOKGVTUDG-DEOSSOPVSA-N 351.449 5.150 0 40 FKAB CSc1ccc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)cc1 12807539 GAQYDYDXIMDDAO-UHFFFAOYSA-N 374.556 5.174 0 40 FKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc1 19892014 OBSUSJXRGZQELL-UHFFFAOYSA-N 372.447 5.676 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20456668 HPHQEKDRGHAPGH-NTKDMRAZSA-N 373.496 5.231 0 40 FKAB Oc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cc1 20605292 AHXUSXJFLVUEMY-UHFFFAOYSA-N 356.303 5.281 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 24262852 YUEBQNNGCIXEJJ-UHFFFAOYSA-N 373.481 5.187 0 40 FKAB COC1CCC([C@H](C)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)CC1 27666500 VXABSJFGYZTECR-OZMAMDIPSA-N 373.581 5.087 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 30754727 CSNCCCWBUVNJRW-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB Cc1ccc(-c2cnoc2NC(=O)CSCc2ccc(Cl)cc2)cc1 32984870 VAGAQAKZAISOFX-UHFFFAOYSA-N 372.877 5.175 0 40 FKAB CC(C)c1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1 35290898 KKSUDOYAVGDGPJ-UHFFFAOYSA-N 371.893 5.137 0 40 FKAB CN(C(=O)c1cc2occc2n1Cc1ccccc1Cl)c1ccccc1 36352556 ACCIKNJYYKXVGU-UHFFFAOYSA-N 364.832 5.213 0 40 FKAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 57315955 VXOIIOUKPNSIAB-UHFFFAOYSA-N 359.897 5.742 0 40 FKAB CCOCCCC(=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 72290486 VHLCNHZMLJBYEG-UHFFFAOYSA-N 372.553 5.159 0 40 FKAB CCc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 95481813 ZQHVJXVARWOKAA-UHFFFAOYSA-N 369.424 5.218 0 40 FKAB Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1C 106951525 USABEYHXQQYDMW-UHFFFAOYSA-N 356.263 5.938 0 40 FKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCC 106956549 VPUSWGJRPZUDMA-UHFFFAOYSA-N 358.240 5.542 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=O)CCSCc1ccccc1)CC(C)(C)O2 218998642 DBPPIDXVIUYWHJ-IBGZPJMESA-N 369.530 5.037 0 40 FKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(Cl)c1Cl 223460609 MQQSIPRDWAVHOC-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224422999 JWLKEPFPOZRPIZ-GOSISDBHSA-N 374.484 5.202 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224940832 UOLGGNUATIYTLW-UHFFFAOYSA-N 354.519 5.106 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 225321605 BBDWRIDJCXOXPZ-QKLQHJQFSA-N 368.571 5.454 0 40 FKAB O[C@@H](c1cccc(Br)c1)c1ccc2c(c1)Cc1ccccc1-2 226296619 PGJUPSBCOWKGRV-FQEVSTJZSA-N 351.243 5.102 0 40 FKAB CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)OC(=O)CC)[C@@H]2CC1 263593643 BMRFXSRZXNRFQD-JGELFBEGSA-N 372.549 5.801 0 40 FKAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(CC)cc2)cc1 408733361 HKJPZJSYIWHZOA-HSZRJFAPSA-N 356.469 5.583 0 40 FKAB Cc1nnc(SCc2cccc(Cl)c2)n1-c1ccc(Cl)cc1 409094734 FSMOCFUYCMJRSG-UHFFFAOYSA-N 350.274 5.175 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 859886 OPLMLLAIGGQVOV-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB CC(C)c1ccc(O[P@](C)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1264793 JGJPEDCOKWQYTF-QFIPXVFZSA-N 358.205 6.431 0 40 FKAB Clc1ccc(CSc2nnc(-c3ccccc3)s2)cc1Cl 1907262 VGKNAGYFLUFABL-UHFFFAOYSA-N 353.299 5.804 0 40 FKAB CCN(CC)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 2714912 BNKKFFVZEYBFAG-UHFFFAOYSA-N 356.473 5.242 0 40 FKAB C[C@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 3326042 KMRFHNRVHDYGJO-MBSDFSHPSA-N 370.496 5.348 0 40 FKAB Cc1ccc(-c2ccc(Oc3ncnc4c3oc3ccccc34)c(C)c2)cc1 3339001 QDTGRPKPVCNZJL-UHFFFAOYSA-N 366.420 6.452 0 40 FKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1 3417309 WGAOLDNZQHUNGK-NSHDSACASA-N 368.285 5.315 0 40 FKAB COc1cccc(CN(C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 3584166 FNLYCWIHWHJWDM-UHFFFAOYSA-N 368.521 5.013 0 40 FKAB Cc1ccc(-c2csc(Cc3csc(-c4ccc(C)cc4)n3)n2)cc1 3672428 WTWOPSSKQZSHIU-UHFFFAOYSA-N 362.523 6.141 0 40 FKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1cccc2ccccc12 4077254 MGZAAOPLLMSJHP-UHFFFAOYSA-N 371.465 5.025 0 40 FKAB Cc1ccc(-c2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1C 4256132 IELIZFVDTVZYJT-UHFFFAOYSA-N 366.530 5.582 0 40 FKAB CCCCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 4838629 CKLFVWGMLMHTNM-UHFFFAOYSA-N 372.679 6.078 0 40 FKAB Cc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1C 4970895 KAJDJWRUNGBQCC-UHFFFAOYSA-N 360.482 5.620 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3F)C2)cc1 4981630 VUADSUKEFCGGSV-LJQANCHMSA-N 364.445 5.187 0 40 FKAB CN1c2ccccc2C[C@H](C(=O)Nc2ccccc2Cl)c2ccccc21 5798163 FNBVQUPTYJMRHL-KRWDZBQOSA-N 362.860 5.386 0 40 FKAB CCCC[C@@H](CC)COC(=O)CSCC(=O)OC[C@H](CC)CCCC 5821788 KYWZILPIDASSGE-QZTJIDSGSA-N 374.587 5.239 0 40 FKAB c1ccc(-c2csc3nc(-c4cccnc4)nc(N4CCCC4)c23)cc1 6399402 NEEABIMNBVVYGJ-UHFFFAOYSA-N 358.470 5.021 0 40 FKAB CCCCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 7261671 VGFBEMWGFLNELC-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB Cc1cc(-n2c(C)cc(-c3csc(COc4ccccc4)n3)c2C)no1 8042355 DYYIDHCDDNLRHB-UHFFFAOYSA-N 365.458 5.093 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl 9063951 IJAWYSSXOPKDIP-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C\c1c(C)cc(OC)c(C)c1C 11681416 IYIYMCASGKQOCZ-UQDZLYSGSA-N 353.506 5.219 0 40 FKAB Fc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 13281838 KCVJMBNCWFHOSO-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)Cc1ccco1 13654669 DCBQWZQSTZGFHY-UHFFFAOYSA-N 371.845 5.583 0 40 FKAB Cc1cccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 13669693 GMQQVWAYSCICHP-RCCKNPSSSA-N 361.872 5.505 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)c1 14258055 RQJJBPDSCIFAQP-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Clc1ccc(Oc2ccc(I)cc2)cc1Cl 15020576 ZOYZSKWILBNMGG-UHFFFAOYSA-N 364.997 5.390 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 16310963 IFMLLALIVIBKAX-UHFFFAOYSA-N 373.827 5.788 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1cc(C)ccc1C 20106008 FENZDMNUOUKVRK-AVRDEDQJSA-N 361.485 5.491 0 40 FKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 33750144 BQKWCAQXXYFJBY-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB O=C(Nc1ccccc1Cl)Nc1ccccc1NC(=O)c1ccsc1 38678864 PSCIWKBMILNQCX-UHFFFAOYSA-N 371.849 5.298 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1Oc1ccccc1 72212195 MLLGIEXRLULBJD-NRFANRHFSA-N 374.440 5.348 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1Sc1ccccc1 72217658 HUURPRZRAVZLKY-QGZVFWFLSA-N 356.491 5.305 0 40 FKAB Brc1ccc(-c2cc3ccc(Br)cc3[nH]2)cc1 77284773 JCJZRKBSYWJRTE-UHFFFAOYSA-N 351.041 5.360 0 40 FKAB in-vitro CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 96586418 YBAPYBHPBWXZIG-INIZCTEOSA-N 351.490 5.096 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(F)cc2)on1 224067003 ZJYCBEMRZLOKNZ-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1CSc1ccc(C)cc1 224659280 RFHNYPDVGUIRBK-MRXNPFEDSA-N 357.519 5.214 0 40 FKAB Cc1cc2nc(-c3ccc(I)c(C)c3)oc2cc1C 226239482 CEHKKZDZQGSOPQ-UHFFFAOYSA-N 363.198 5.025 0 40 FKAB Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 408623319 SSUOKKODYKFQMH-VQHVLOKHSA-N 372.251 6.214 0 40 FKAB O=C(CCSc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 408771687 AQGVBMMXCJRPET-UHFFFAOYSA-N 361.510 5.398 0 40 FKAB CCOc1ccc(-n2c(SCC)nnc2-c2ccc(Cl)cc2)cc1 409106004 LRLCAIBHHOPLTB-UHFFFAOYSA-N 359.882 5.098 0 40 FKAB Cc1cccc(NCc2c(OCc3ccccc3)ccc3ccccc23)c1 409116640 JUARCBDLFKANIT-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB c1ccc(-n2c3c(c4ccccc42)-c2ccccc2Nc2ccccc2-3)cc1 1542033321 ADOGHJFRUXAZIN-UHFFFAOYSA-N 358.444 7.022 0 40 FKAB Cc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 630184 VIMVYHAVSHZMDJ-UHFFFAOYSA-N 359.535 5.391 0 40 FKAB COc1ccc(C2=C(C)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC 1321589 BLUILMSZRZVUTA-XMMPIXPASA-N 372.464 5.968 0 40 FKAB biogenic CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(OC)cc4)coc3c12 2090952 SFVZPISCZHSIIL-UHFFFAOYSA-N 362.425 5.866 0 40 FKAB biogenic Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(C)cc4)cc3n2)cc1 2204918 HLXXSWYTSCLGLF-UHFFFAOYSA-N 367.374 5.699 0 40 FKAB CCc1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1CCCC2 2271969 YFTQBEXNNKCQRV-UHFFFAOYSA-N 366.534 5.425 0 40 FKAB CC[C@H]1CSC(N(CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)=N1 4614688 KDCFLOWZJFVGLQ-KRWDZBQOSA-N 372.921 5.219 0 40 FKAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 4974884 DRRJWMXJIVWKKW-CBZNWHGESA-N 356.506 5.160 0 40 FKAB CCOc1ccc(N2C(=O)S/C(=C/C(C)=C/c3ccccc3)C2=O)cc1 5967545 YXVXCRWLOOYZDZ-OIXOFKMYSA-N 365.454 5.273 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 6784649 GOKXAUBJXNLCRV-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)COc1cccc(C(F)(F)F)c1 10860469 GXXKZHOJMBYWQL-UHFFFAOYSA-N 351.368 5.155 0 40 FKAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1c(Cl)cccc1Cl 14230855 VFELHXWQCUIMND-CQSZACIVSA-N 369.317 5.003 0 40 FKAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1 16201288 GMDCFVLYYICTLY-QWYCDTIGSA-N 363.379 5.094 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3F)o2)cc1Cl 17073540 RRNLEKGAOVSZOA-PKNBQFBNSA-N 355.796 5.699 0 40 FKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2cccc(Cl)c2)n1 17075353 JZMNMKKLHATIKU-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB Cc1cc2nc(-c3ccc4ccccc4c3)oc2c(Br)c1C 20156738 HGGPWZPCTYSTJR-UHFFFAOYSA-N 352.231 6.027 0 40 FKAB Clc1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)cc1 21682015 VKLVWLRBTDTSLS-UHFFFAOYSA-N 355.850 5.087 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N(Cc1ccccc1)Cc1ccccc1 30860545 PURFLSIAUPLBQN-HSZRJFAPSA-N 373.496 5.381 0 40 FKAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1sc2ccccc2c1Cl 32609602 PSUKWQFNDTZFIQ-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB O=C(c1cccc(C(F)(F)F)c1)N1CCSc2ccc(Cl)cc21 32802024 INVYIEPJBAIYEZ-UHFFFAOYSA-N 357.784 5.111 0 40 FKAB CCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3C)c2c1 41127712 UAUVFNUFPYOSQN-UHFFFAOYSA-N 371.278 5.756 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1 59400807 WGPJXTLUDLKZEK-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)nc1 67322081 OHGMBICBKWESPA-UHFFFAOYSA-N 360.280 5.328 0 40 FKAB Cc1cc2oc(=O)cc(COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C 108858456 YEFFADSCHKFGFX-YESZJQIVSA-N 368.473 5.094 0 40 FKAB Cn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 118916115 ARYVICLZGFZHAR-YDVOFBHRSA-N 368.565 5.207 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223097198 ZTERZWLWDRZTKE-FGZHOGPDSA-N 365.517 5.299 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C(C)C 224980919 GUOMMIYFIYCCJK-UHFFFAOYSA-N 366.505 5.370 0 40 FKAB CCCCc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225128260 AJIYMTUJTKABNS-OAQYLSRUSA-N 354.490 5.401 0 40 FKAB CCc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 225698623 XXXWAJNTIZVEHS-JOCHJYFZSA-N 360.526 5.633 0 40 FKAB CCOc1ccccc1NC(=S)N[C@H](c1ccc(C)cc1C)C(C)C 225763723 BAFXKFOSHSLQKW-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Oc2cc(C)cc(C)c2)cc1 409173977 QMXPVXCEBWHGDE-UHFFFAOYSA-N 362.425 5.110 0 40 FKAB Cc1cccc(CSc2ncc3c(n2)-c2cc(C)ccc2SC3)c1 1403611 SMPQYPKXJCHQOR-UHFFFAOYSA-N 350.512 5.658 0 40 FKAB CCN(CC)CCOc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 1691531 LEIJNEVWCFJAFF-UHFFFAOYSA-N 369.508 5.977 0 40 FKAB C/C=C/c1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)c(OC)c1 1895595 JFXWAKXJOBTVEH-YCRREMRBSA-N 368.436 6.131 0 40 FKAB Cc1ccc(C)c(-c2nc(-c3ccccc3)c(-c3cc(C)ccc3C)[nH]2)c1 2219474 LZGPPBTXYMQQTK-UHFFFAOYSA-N 352.481 6.644 0 40 FKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(F)cc2)n1 2733348 HSMQRIGLNORYJR-UHFFFAOYSA-N 374.415 5.363 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)COc3cccc(C)c3)ccc21 3200055 RWJQIWZQQAAOBL-UHFFFAOYSA-N 358.441 5.140 0 40 FKAB COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 3850044 XZYHUDBBIOJHPZ-YLNSDLBNSA-N 374.565 5.126 0 40 FKAB CCC(CC)C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4267458 BWHVQTMCCIFKNM-UHFFFAOYSA-N 368.408 5.199 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)n(C)c3n2)cc1 4678654 DXBLIRPBVQVWRT-UHFFFAOYSA-N 363.464 5.982 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc(C)c1Cl 4739953 IQFTVNHPVOMNER-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=C5C=CC=C5)CC[C@]4(C)[C@H]3CC[C@]12C 4743906 GNDKEWBKRBOJSG-FBQZJRKBSA-N 362.557 6.577 0 40 FKAB biogenic,in-vitro CCc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)cc1 5023179 FRJUBNGTPJRUEY-UHFFFAOYSA-N 372.877 5.397 0 40 FKAB CC(C)c1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5460513 WXXUDHMZGZRWAQ-ISKFKSNPSA-N 367.496 6.306 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6357158 JHABOWMAEDSQHV-UHFFFAOYSA-N 355.821 5.098 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 6409639 XWYKKUSKMPDNRS-ANRSDYALSA-N 367.301 5.609 0 40 FKAB CCCCN(CCCC)CCCNC(=O)Nc1cccc(C(F)(F)F)c1 6756766 RGSNZWACTXHCJB-UHFFFAOYSA-N 373.463 5.119 0 40 FKAB C[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2 7524570 MXQPJKIVWVWEKC-LRYXAPPNSA-N 369.936 6.295 0 40 FKAB Cc1ccc(NC(=O)[C@@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)cc1 8189164 TWDFLDWNQBAKOK-QFIPXVFZSA-N 371.440 5.237 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)C)c3)nc2c1 9141075 SEVBTJLENBNXCZ-UHFFFAOYSA-N 356.853 5.750 0 40 FKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3c(C)cccc3C)cc2)cs1 12563297 PVXHRCQPIFQRHN-HNNXBMFYSA-N 365.502 5.174 0 40 FKAB O=C(CSc1ccncc1)Nc1ccc(Oc2ccccc2Cl)cc1 12597804 CIAUKZMRLSIAKC-UHFFFAOYSA-N 370.861 5.258 0 40 FKAB c1ccc(C(c2ccccc2)c2nn3c(-c4cccs4)nnc3s2)cc1 12653875 CGEJNONFBGVXQU-UHFFFAOYSA-N 374.494 5.095 0 40 FKAB CC(C)(C)c1cn2c([nH]1)c(-c1nc3ccccc3s1)c(=O)c1ccccc12 12879265 IXEBLHHSPVYOCU-UHFFFAOYSA-N 373.481 5.355 0 40 FKAB Cc1cc(C)c(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(C)c1 12983033 AKRYRXXBLVLQRA-UHFFFAOYSA-N 374.887 5.007 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 16161570 PLXGOPLKEIGMHF-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB CCOc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1OCC 20450126 ZRCZDPSJGVMDFM-UHFFFAOYSA-N 355.478 5.179 0 40 FKAB O=C(NCCc1ccccc1)c1scc(-c2ccccc2)c1-n1cccc1 38655034 MJZVDGHOHKGQBM-UHFFFAOYSA-N 372.493 5.178 0 40 FKAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(C)cc1 38757181 ACYKEJCBMKSCGQ-DEOSSOPVSA-N 357.497 5.661 0 40 FKAB CC(C)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C(C)C 72213053 URHLFWXANUCVEU-OAQYLSRUSA-N 365.521 5.072 0 40 FKAB CC(C)n1c([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)nc2ccccc21 72306552 DOJIXIAZUOVEBC-IBGZPJMESA-N 367.880 5.248 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1c[nH]c2ccccc12 96118826 RGSGGHIQSDLARU-GOSISDBHSA-N 363.848 5.110 0 40 FKAB COc1ccc(/N=c2/ssc3c2-c2ccc(C)cc2NC3(C)C)cc1 100528888 GVYNODDEXGBITJ-XUTLUUPISA-N 368.527 5.687 0 40 FKAB Cc1ccc(CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)cc1 106703163 ZAFSVCHZDIHQKJ-SXGWCWSVSA-N 361.825 5.024 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(Cl)ccc1Br 199829506 FCZSZBRMQHQUOO-ZDUSSCGKSA-N 360.679 5.175 0 40 FKAB CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222724455 KHNPBXXNBYTGTK-UHFFFAOYSA-N 370.301 5.264 0 40 FKAB CCCCCNC(=O)c1ccc(OCC)c(COc2ccc(C)c(C)c2)c1 224625441 YQEYCBMBBKFHJG-UHFFFAOYSA-N 369.505 5.201 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 224843685 TYXPIMNAFDJOFB-OAQYLSRUSA-N 351.490 5.232 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(C(F)(F)F)cc1 225352025 PFISTBUQNSWXFB-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB COc1ccc(C2(C(=O)Nc3cc(C)c(OC)c(C)c3)CCCCC2)cc1 225560045 JFOBHOSTSRMPBM-UHFFFAOYSA-N 367.489 5.161 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1Cl)CC(C)(C)O2 225672569 FDSMYTDRQZJHIQ-INIZCTEOSA-N 360.910 5.237 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)CC(C)(C)O2 225673589 WMKJRYRAHXLQQX-KRWDZBQOSA-N 374.937 5.546 0 40 FKAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC(C)CC1 225835176 KINHWSZWSYCJDR-UHFFFAOYSA-N 369.505 5.551 0 40 FKAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 226254462 FNNYPXVZOJWSPV-INIZCTEOSA-N 365.521 5.197 0 40 FKAB Cc1ccccc1-c1nc2cc(N3Cc4ccccc4C3=O)cc(C)c2o1 226286221 ZJTCUTFOHYZCIM-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB CCCOc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 408585772 IHASNZYNGSZVJG-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(OC)c1 409109650 ITADGZVTAZOBHQ-UHFFFAOYSA-N 365.448 5.588 0 40 FKAB C[C@@]1(C(=O)Nc2ccc(F)cc2)CC2c3ccccc3C1c1ccccc12 866643 PRQGZBGIHVQOEG-UBVWURDFSA-N 357.428 5.452 0 40 FKAB c1ccc(COc2ncc(-c3ccsc3)c(OCc3ccccc3)n2)cc1 984483 ZCKIQMCNCBXUEG-UHFFFAOYSA-N 374.465 5.363 0 40 FKAB Clc1ccc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)s2)cc1 2570407 NWTDYAUCOZUTQK-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CCC(CC)NC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 3241813 LOBCMCSEBZFRMR-UHFFFAOYSA-N 368.480 5.973 0 40 FKAB CCCCCCC1CCC(c2noc(-c3ccc(C(C)(C)C)cc3)n2)CC1 3584762 SOBSHRXDDWBPCR-UHFFFAOYSA-N 368.565 7.278 0 40 FKAB COc1ccccc1Nc1cc(-c2ccccc2)c2cc(Cl)ccc2n1 4059287 OPNYBZUUXRHIAZ-UHFFFAOYSA-N 360.844 6.307 0 40 FKAB Cc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(Cl)cc3)s2)cc1 4392546 KSFINLDOSLIPFG-UHFFFAOYSA-N 370.905 5.053 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4615451 NSBCLBJOPZCTKX-QGZVFWFLSA-N 371.480 6.527 0 40 FKAB Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(Cl)c(Cl)c1 4866036 BVLBYHRWXFSUQF-UHFFFAOYSA-N 353.249 6.308 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc2sccc2n1Cc1ccccc1 4970897 ZNBKDDBSERHHIK-UHFFFAOYSA-N 360.482 5.620 0 40 FKAB Clc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5459225 IPWMWDCHILCMCG-FPOVZHCZSA-N 359.860 5.836 0 40 FKAB Cc1cc(C)c(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 5521209 QEKADJDFSCEOFR-IBGZPJMESA-N 358.485 5.193 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Br 5679619 VFHIFMXINJGAED-SOFGYWHQSA-N 371.061 5.408 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 6145838 MXGBASZGSVMKJJ-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB Clc1ccc(-c2nc(CN3CC=C(c4ccccc4)CC3)cs2)cc1 6552514 WMHRELJSPDMLKJ-UHFFFAOYSA-N 366.917 5.753 0 40 FKAB c1ccc(-c2cc(Sc3nc4ccccc4s3)nc3ccccc23)cc1 7699073 HFKOIDBSCJWVFL-UHFFFAOYSA-N 370.502 6.663 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)N[C@H](Cc1ccccc1)c1ccccc1 8328039 FACYQDWNMCVXDL-XMMPIXPASA-N 368.480 5.201 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)nc2C)c(Cl)c1 13000871 GKMFGKFPWKNYBP-UHFFFAOYSA-N 350.849 5.580 0 40 FKAB CCCCCC[C@H](C)OC(=O)CCCCC(=O)O[C@H](C)CCCCCC 16892527 RTUMJAGKSDIHOW-BGYRXZFFSA-N 370.574 6.351 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1cccc2ccccc12 19075080 DFZOBTHPSWEPFX-UHFFFAOYSA-N 350.421 6.055 0 40 FKAB O=C(Nc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12)c1ccccc1 26964369 JWCIBRAWZAYYHL-UHFFFAOYSA-N 365.795 5.046 0 40 FKAB O=C(O)C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 32642057 BTZCNXDJNPDJQU-XFFZJAGNSA-N 364.253 5.618 0 40 FKAB O=C(CCc1cccnc1)Nc1cc(Cl)ccc1Oc1ccccc1 32819025 BAMXZDIXHCPTED-UHFFFAOYSA-N 352.821 5.099 0 40 FKAB C=Cc1ccc(CSc2nccn3nc(-c4ccccc4C)cc23)cc1 38651803 MKCNSIVDIKXCBH-UHFFFAOYSA-N 357.482 5.640 0 40 FKAB CCN(CC)Cc1cccc(CNC(=O)Nc2cccc3ccccc23)c1 40145456 LMWUURFBESHLPB-UHFFFAOYSA-N 361.489 5.003 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 44901830 HHBRYDQMIWJOEY-OAHLLOKOSA-N 358.265 5.642 0 40 FKAB Brc1cccc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 57352429 XVZQLAGLRBWSMM-UHFFFAOYSA-N 364.242 5.848 0 40 FKAB CCCCCCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100846436 YIZWGCJJWFMBOJ-CSKPTYFESA-N 353.550 5.530 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219331683 YTLGJGOVZFPYSA-YADHBBJMSA-N 353.506 5.345 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 225502692 KYJAHZZRJBMSBM-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C(C)C 225666303 LINZFYBWBXXDPJ-LJQANCHMSA-N 367.489 5.159 0 40 FKAB CCC[C@H]1O[C@H]2c3cc(C(C)(C)C)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257255973 KJPNDKCXUBVDEY-MTNOOBJLSA-N 360.494 5.102 0 40 FKAB Cc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409381480 MPORMYOJBZCDNN-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CN(c1ccccc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1 1857794314 BWTIHVTYOKOPSB-UHFFFAOYSA-N 364.448 7.030 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)c(F)cc1Cl 716799 VCQDWJAQQQYJAT-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)c1ccccn1 1439920 DSWBGMCTDVSQSO-UHFFFAOYSA-N 372.255 5.627 0 40 FKAB CCCC/N=c1\cc(-c2ccccc2)oc2ccc(Br)cc12 1916640 KCIKEUZVMSVGRM-HEHNFIMWSA-N 356.263 5.563 0 40 FKAB O=C(NC1CCCCCCC1)[C@@H](Sc1ccccc1)c1ccccc1 2086257 OGWNHESQSQFDOO-NRFANRHFSA-N 353.531 5.749 0 40 FKAB Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Cl 3079879 XIHSDBFUJPGYTR-UHFFFAOYSA-N 365.263 6.718 0 40 FKAB O=C1CCSc2ccc(Cl)cc2N1Cc1c(Cl)cccc1Cl 4042654 XWWLSMJKYWZCIT-UHFFFAOYSA-N 372.704 5.676 0 40 FKAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc2ccccc12 4072127 XNMLGGNVWFAOIJ-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CCCCC(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12 4162565 CSEUUBNDNLUFST-UHFFFAOYSA-N 350.418 5.122 0 40 FKAB COc1cc(NCCCCCCC[C@@H]2CCCCN2)c2ncccc2c1 4365387 HFSDPLBOZQMDFJ-LJQANCHMSA-N 355.526 5.138 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 4667797 MMMKGBCNWWPBCR-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB CCCCCCC1CCC(C(=O)OC2CCC(c3ccccc3)CC2)CC1 4714385 WUYULARZKWYPDT-UHFFFAOYSA-N 370.577 7.033 0 40 FKAB CCc1nc(SCc2cccc(Cl)c2)c2oc3ccccc3c2n1 5556939 CXOYIQPXXQIEJP-UHFFFAOYSA-N 354.862 5.884 0 40 FKAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 5611177 UJGVGIXRWJNULY-UHFFFAOYSA-N 373.452 5.020 0 40 FKAB Fc1cccc(Cl)c1CSc1nnc(NCc2ccccc2)s1 6228445 UIMHXWJGZAYPAR-UHFFFAOYSA-N 365.886 5.235 0 40 FKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 6506010 DNKBAPAWIJWCJQ-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB Cc1nc2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2s1 6831214 LDOAUZXWNRWCJL-UHFFFAOYSA-N 351.859 5.206 0 40 FKAB CCCCOc1cccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 7078604 GEIJHKTUKOPSQK-UHFFFAOYSA-N 354.475 5.344 0 40 FKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 7558026 KOTWQYCSOKMODE-NRFANRHFSA-N 362.498 5.080 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3cccc(OC(C)C)c3)n2)cc1 9109282 HYQFLGOHOAGLDN-UHFFFAOYSA-N 352.459 5.158 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 9659975 IVXSYODOSNHNHR-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB biogenic O=C(CCSCc1ccccc1)Nc1ccccc1Oc1ccccc1 10616198 DFPFGWGOCKZLKO-UHFFFAOYSA-N 363.482 5.741 0 40 FKAB Cc1ccc(C)c(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1 12931642 WHDYQQVRNFUGAF-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577915 OBJXVSYVPZVCJS-MDWZMJQESA-N 366.480 5.591 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccn1 22563589 BZECKBSNJKZIEE-UHFFFAOYSA-N 368.664 5.025 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 38771688 FBEXATAMNYXOFW-UHFFFAOYSA-N 356.469 5.200 0 40 FKAB CC(C)c1ccc(NC(=O)CCCc2nc(C(C)C)no2)c(C(C)C)c1 40133745 JGDNHQLFTLSOOU-UHFFFAOYSA-N 357.498 5.401 0 40 FKAB Clc1ccc2sc(Nc3nc4ccccc4s3)nc2c1Cl 57352464 JGRXJIDWTDAUAJ-UHFFFAOYSA-N 352.271 5.956 0 40 FKAB CC(C)(C)c1csc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1 79072651 NNKFWHYGJMBTHI-CQSZACIVSA-N 357.548 5.387 0 40 FKAB O=C(Nc1ccccc1)c1c(Nc2ccccc2)n[nH]c1-c1ccccc1 84559844 HKSFKNUXLRAOJC-UHFFFAOYSA-N 354.413 5.073 0 40 FKAB COc1ccc(-c2c(C)s/c(=N/c3ccccc3)n2-c2ccccc2)cc1 100929321 ICZZHKFEFMIYBN-WCWDXBQESA-N 372.493 5.755 0 40 FKAB Cc1cccc(/C=C/C2=Nc3ccccc3C(=O)[C@H]2c2ccccc2Cl)c1 104754484 RORUUIIIZOOVPA-ZVQQDINOSA-N 371.867 6.414 0 40 FKAB Cc1ccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 196445920 CZJUDLLZRZTWFO-UHFFFAOYSA-N 363.482 5.659 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219613210 UDQROLXAXQJOBO-WOJBJXKFSA-N 359.897 5.382 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222959232 ITUHWYIGVXZRCX-MSOLQXFVSA-N 373.496 5.363 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1C 223490596 HWWBHUMDFBYRAF-GOSISDBHSA-N 353.506 5.166 0 40 FKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COCC(C)C 224448909 BDYHKIONNOAAOF-UHFFFAOYSA-N 361.869 5.082 0 40 FKAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 225068087 BVZOZBPDSYXQBC-VWLOTQADSA-N 357.497 5.369 0 40 FKAB CC(C)C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 225492410 BOPMQNTZSROCMN-QGZVFWFLSA-N 366.452 5.779 0 40 FKAB CC[C@@H](CNC(=S)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 225631346 BNBWPTHCZLWSKU-CYBMUJFWSA-N 350.890 5.034 0 40 FKAB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)o1 253528870 ZMDCSLTVAOWENP-UIMCHDMISA-N 368.561 6.375 0 40 FKAB biogenic CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253617233 ORZBNFZTRWEXII-XCBXZHJDSA-N 360.538 5.310 0 40 FKAB CCOC(=O)c1cc(-c2cccc3ccccc23)n(-c2cccc(C)c2)n1 408724042 CXGKIYUYIMLWMN-UHFFFAOYSA-N 356.425 5.178 0 40 FKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccccc1 408906288 FNDPXDSHUUCJNS-FYWRMAATSA-N 359.494 5.939 0 40 FKAB CC(C)N(CCOc1cccc(F)c1Oc1ccc(Cl)cc1)C(C)C 585266245 WKJPZWFSSUOCHD-UHFFFAOYSA-N 365.876 5.769 0 40 FKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C)c1-c1ccccc1 685855 KSAQSCJNSJOGKW-UHFFFAOYSA-N 357.475 5.029 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1C(C)C 1256178 FFXLYNUHUGEQNB-CMDGGOBGSA-N 364.272 5.777 0 40 FKAB CC(C)(C)[C@H]1COc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 1392400 XDHJAHIHBZFVEB-QGZVFWFLSA-N 363.379 5.159 0 40 FKAB Cc1cccc(C)c1NC(=O)OCCOc1ccc(Cl)cc1Cl 1754049 UIGSGCNWGPPIOX-UHFFFAOYSA-N 354.233 5.238 0 40 FKAB C[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 2183240 QFCZXJGOLXZIMO-CQSZACIVSA-N 353.824 5.888 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1c(Cl)cccc1Cl 3284240 IEUXJBDTYHRYDL-UHFFFAOYSA-N 356.252 5.837 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cc(C)ccn23)cc1 3909835 JXSWLTNVDSIONV-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB aggregator Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12 4273220 MMEGXGKPJBFANM-UHFFFAOYSA-N 365.502 5.113 0 40 FKAB COc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 4678409 WGCVQHFKJJQWJW-UHFFFAOYSA-N 369.468 5.375 0 40 FKAB CC(C)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 5384760 XBRPPVAWEALSFR-UHFFFAOYSA-N 372.493 6.339 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 5890017 NKOSMWMHPBASTJ-DUXPYHPUSA-N 350.289 5.092 0 40 FKAB Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1ccc(Cl)cc1 6396069 FMPPCIQSYLGLTB-UHFFFAOYSA-N 365.864 5.278 0 40 FKAB O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)Sc2ccccc21 6495997 KGJBJFGOGJZQPP-JWGURIENSA-N 374.461 5.474 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 6927629 PMQWAGFAZZZGPG-UHFFFAOYSA-N 354.862 6.135 0 40 FKAB Cc1c(Cl)c(COC(=O)c2c(F)cccc2Cl)nc2ccccc12 7989564 SPQBNXAYFIYHTA-UHFFFAOYSA-N 364.203 5.346 0 40 FKAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)Nc1nccs1 8021303 BQSSFWIUFBCAMY-UHFFFAOYSA-N 353.230 5.271 0 40 FKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 13670201 ATOCEHXRGDRUTA-UHFFFAOYSA-N 353.506 5.134 0 40 FKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc4ccccc34)c12 14179922 AYUVRWQVGXOSAC-UHFFFAOYSA-N 369.380 5.197 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 15412175 MSVUCSPJFIGCOS-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB Cc1ccc(-c2nc(CNC(=O)Cc3cccc4ccccc34)cs2)cc1 15832534 GHALSOPRONTNDL-UHFFFAOYSA-N 372.493 5.131 0 40 FKAB O=C(Nc1cccnc1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 16200604 FBEWTHVGSWEAGA-UHFFFAOYSA-N 358.319 5.145 0 40 FKAB CCc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)cc1 27585287 WKJUJZWJSQSVBY-UHFFFAOYSA-N 356.473 5.826 0 40 FKAB O=C(Nc1nc(-c2ccccc2Cl)cs1)C1(c2ccc(F)cc2)CC1 40058779 CRXZYTBXSBGGTO-UHFFFAOYSA-N 372.852 5.273 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1Nc1ccccc1 72214133 PCKWIYMFCFLGHB-OAQYLSRUSA-N 373.456 5.299 0 40 FKAB c1ccc2cc(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)ccc2c1 96193833 QBSJXMSMGBXJGT-UHFFFAOYSA-N 368.421 5.419 0 40 FKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 100003772 PRYCYWMMSZSXBK-CALCHBBNSA-N 360.463 7.625 0 40 FKAB CC(C)c1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 102048050 RPBBEQIYCMNDPV-LJQANCHMSA-N 350.853 5.111 0 40 FKAB O=C(Nc1ccccc1-c1ccncc1)c1ccc(-c2ccc(F)cc2)o1 110401920 JVTNHJGWMRSEPH-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB C[C@]12CC[C@H]3[C@@H](C=C[C@]45C[C@H](O[C@@H]6CCCCO6)CC[C@]34C5)[C@@H]1CCC2=O 118936523 DVWMKPXIAINHCS-WJOHNRTOSA-N 370.533 5.040 0 40 FKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCc2ccccc21 219841843 NUHQGYBAFDTJBI-UHFFFAOYSA-N 363.844 5.122 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 222716857 PJUPNKJIOWWOHQ-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 223545779 XHDWNWAREXJSDY-INIZCTEOSA-N 357.519 5.636 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1 224453981 YXYINXONDCLGQI-HXUWFJFHSA-N 367.876 5.010 0 40 FKAB COc1ccc(Cl)cc1C(=O)NC[C@H](C)Cc1cccc2ccccc12 225041105 FJRIKXGZZZQWGS-OAHLLOKOSA-N 367.876 5.110 0 40 FKAB Cc1ccc2oc(Cc3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 228953830 QRNMYZJKFAUUON-UHFFFAOYSA-N 359.269 5.765 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3cccc(-c4cccc(C(=O)O)c4)c3O2)c1 257207686 BITPXFYBVVVENQ-VWLOTQADSA-N 372.464 5.687 0 40 FKAB Cc1ccc(NC2=C[C@@H](c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 898769 MSAKKWXGDVHYGM-QHCPKHFHSA-N 372.443 5.526 0 40 FKAB Cn1nc(-c2ccccc2)c(-c2nc(-c3ccc(Cl)cc3)no2)c1Cl 1389895 PJDSHYQTGJJMDC-UHFFFAOYSA-N 371.227 5.111 0 40 FKAB O=C(Nc1ccc(Cl)cc1)OCc1cc(-c2ccc(Cl)cc2)on1 1394151 IQXPSODCSZTNIV-UHFFFAOYSA-N 363.200 5.397 0 40 FKAB CC(C)(C)c1cc([C@@H](c2ccccn2)N2CCCC2)cc(C(C)(C)C)c1O 1463340 HFNOBFOCOZMYKF-NRFANRHFSA-N 366.549 5.567 0 40 FKAB Cc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCCC3)cc1 1468175 GHSFSPVACPVSSN-UHFFFAOYSA-N 369.435 5.068 0 40 FKAB CC(C)(C)c1ccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)cc1 1840371 GQYORLJHPUQBCV-UHFFFAOYSA-N 374.436 5.423 0 40 FKAB O=c1c2c([nH]c(=S)n1C1CCCCC1)-c1ccccc1CC21CCCC1 2230138 XYAKLPIETLLTGK-UHFFFAOYSA-N 366.530 5.446 0 40 FKAB Clc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)c(Cl)c1 2388458 CIMPWXBLPLVBQU-UHFFFAOYSA-N 353.278 5.207 0 40 FKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1Oc1ccccc1 3251234 NUQWPFJFSHFOPF-UHFFFAOYSA-N 356.780 5.628 0 40 FKAB Fc1ccc(COc2ncnc3scc(-c4ccccc4)c23)c(Cl)c1 3338375 OYDYZONPLAXLDW-UHFFFAOYSA-N 370.836 5.730 0 40 FKAB CCOC1=CC2=CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 4026804 PFOMZLRVGKNKCE-HKOQEMOESA-N 370.533 5.555 0 40 FKAB biogenic O=C(c1ccc(Cl)cc1)[C@@H](CCN1CCCCCC1)c1ccccc1 5003910 XNTWQMVSAZGUID-NRFANRHFSA-N 355.909 5.573 0 40 FKAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1F 5689699 FSSKACROCFAFAE-HNNXBMFYSA-N 350.393 5.057 0 40 FKAB CCc1ccc2c(c1)C(c1cccc(Cl)c1)=NNC(c1cccs1)=N2 6844167 XBZHPIXVOFHLBA-UHFFFAOYSA-N 365.889 5.398 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1 6864037 SVJFUIKTYDMDRG-UHFFFAOYSA-N 356.252 5.513 0 40 FKAB Cc1nnc(SCCC23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 6938877 OHQMGJROYYGNCE-UHFFFAOYSA-N 359.583 5.790 0 40 FKAB Cc1nc2c3ccccc3nc(SCc3cccc4ccccc34)n2n1 9483010 OFABBEZIOQGDOB-UHFFFAOYSA-N 356.454 5.031 0 40 FKAB CC(C)CCC[C@H](C)NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12659803 KVJGMYWSXQADQY-LKWSHEICSA-N 361.570 5.105 0 40 FKAB biogenic Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13669316 LDERNOYRQVKBFS-GOSISDBHSA-N 353.506 5.329 0 40 FKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)C1 20490812 WCNKLULQXCGKBP-SFHVURJKSA-N 358.485 5.324 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccccc2C)cc1 20493515 ARIPYKLVXKVPMJ-NRFANRHFSA-N 371.546 5.140 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312076 NQEYNARXLIWKQC-KRWDZBQOSA-N 351.368 5.118 0 40 FKAB COc1cccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)c1 27664309 DARNYRDDLMXKQZ-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB CCc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33562144 BIOSDBVWBRYQTB-SULWINFOSA-N 357.453 5.618 0 40 FKAB CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 44087893 ZKFYXYXEQNDEMC-UHFFFAOYSA-N 350.365 5.160 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCSCc2ccccc2)cc1 44849862 UTFKLATWGRKCLT-NRFANRHFSA-N 371.546 5.222 0 40 FKAB O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1cccs1 65551888 YFSMYIFBWIWDKZ-QGZVFWFLSA-N 372.287 5.030 0 40 FKAB COc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1OC 78401187 SDIUBOYVHKHXGH-UHFFFAOYSA-N 361.228 5.135 0 40 FKAB Cc1ccc([C@@]2(CCN[C@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 101926630 CGUCFXKLVWDOLG-NWSQWKLXSA-N 371.590 5.870 0 40 FKAB Cc1nc(-c2ccccc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cs1 206895666 CEQWKDALLYUSAW-OAHLLOKOSA-N 366.486 5.141 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1 222899834 APVURQZFHVFDOF-YADHBBJMSA-N 353.506 5.291 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1Cl 222946745 DTWLHTHHRYPSIS-INIZCTEOSA-N 352.261 5.406 0 40 FKAB CC(C)CSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 223200603 FQEFETGYCWAHIZ-UHFFFAOYSA-N 369.515 5.206 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224416362 WJHMJMFGCHMXPX-ZDUSSCGKSA-N 365.816 5.645 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(C)C 225666182 BPGJQMJIIVPEIF-UHFFFAOYSA-N 367.489 5.701 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226356320 DPVUPUSTEUZWEI-UHFFFAOYSA-N 363.413 5.195 0 40 FKAB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 247833984 MRWSXEXBEQFWEL-CJWYXDEFSA-N 367.876 5.643 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 408705935 QPECPXJDPFRTKS-UHFFFAOYSA-N 358.652 5.445 0 40 FKAB CCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409175347 XPWBFASOAMIIPD-GILFWBMKSA-N 374.528 5.513 0 40 FKAB Cc1sc2ncnc(SCC(=O)c3cccc4ccccc34)c2c1C 715712 YFBKAFDDATYMMT-UHFFFAOYSA-N 364.495 5.436 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 989602 UZOKEJDVXXOXCU-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB C[C@@H](c1ccccc1)N1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1 2077675 CKNQGYBCGDCJJQ-CVDCTZTESA-N 355.566 5.714 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1 2159342 XAGLSJZISYVCJH-UHFFFAOYSA-N 351.449 6.400 0 40 FKAB O=C(O)c1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1 2352936 WPKWBGXRAVVURA-UHFFFAOYSA-N 374.827 5.762 0 40 FKAB C[C@H]1C[C@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1 3213963 SUTOOAKGISNEJH-MBSDFSHPSA-N 356.469 5.208 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1Cl 3560978 UTUQQWRAWIWKFV-UHFFFAOYSA-N 350.123 5.144 0 40 FKAB CCc1sc(NC(=O)CCCOc2ccccc2)nc1-c1ccccc1 4814248 SYCBEVLIQCOMNY-UHFFFAOYSA-N 366.486 5.170 0 40 FKAB CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 5378168 YTFUSKKFMOVPSQ-NIEGWMDSSA-N 366.411 5.108 0 40 FKAB CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1 5408102 SXCMNKSDLJDFTB-UHFFFAOYSA-N 353.849 5.161 0 40 FKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)o2)c1 5434905 BJZOPPMYOYBWMD-OAHLLOKOSA-N 352.459 5.025 0 40 FKAB CCCOc1ccc(CNc2ccc(Br)cc2)cc1Cl 6629700 GVYQSKZIZLUWMR-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 6898931 QQBRZMUVIAUYBQ-VIFPVBQESA-N 360.693 5.766 0 40 FKAB Cc1sc(NC(=O)c2c(F)cccc2Cl)nc1-c1ccc(F)cc1 7967303 DNNHHJNOVAUGHQ-UHFFFAOYSA-N 364.804 5.302 0 40 FKAB C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1cccc2ccccc12 8231533 LDJIPUYZNHLDEW-ZDUSSCGKSA-N 367.374 5.975 0 40 FKAB CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccc(F)cc1 8325929 WZJGWWXCVWIENB-CYBMUJFWSA-N 366.274 5.055 0 40 FKAB Cc1cccc(-c2nc(Nc3cccc(C(=O)O)c3)c3ccccc3n2)c1 9361204 SBMAZNOMVDJKNE-UHFFFAOYSA-N 355.397 5.047 0 40 FKAB Cc1ccc(C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1C 9724547 JIOFZQQYAISXIV-AWEZNQCLSA-N 358.894 5.095 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)cc1 12853846 XECQADZACYMEEV-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB C[C@@H](OCCCNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 12910385 VZMAZRGXWIZTPN-GFCCVEGCSA-N 370.251 5.030 0 40 FKAB CCOc1ccc2[nH]c(=O)c(CNc3ccccc3-c3ccccc3)cc2c1 13561328 YCSBQKSNFPJSDH-UHFFFAOYSA-N 370.452 5.206 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1 13708573 NMOIBYVPDJIIHG-CYBMUJFWSA-N 359.347 5.265 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)/C(=C/c1ccccc1Cl)c1ccccc1 14411282 YTEZCYGBNCADJG-SFQUDFHCSA-N 369.798 5.798 0 40 FKAB O=C(/C=C\c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 16450974 IOVMVLFMJDNGRE-GDNBJRDFSA-N 356.450 5.615 0 40 FKAB CCc1ccc([C@H]2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1 19926942 HHECNNYBACRACD-QGZVFWFLSA-N 351.393 5.046 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(F)(F)F 20041403 KSIXIWPTXTUTLH-INIZCTEOSA-N 351.368 5.118 0 40 FKAB O=C(Nc1cccc(C2SCCCS2)c1)c1cc(-c2ccco2)on1 26069194 FSHBCJVWMGOAOO-UHFFFAOYSA-N 372.471 5.056 0 40 FKAB c1cnc2cc([C@H]3O[C@H]4CCCC[C@@H]4c4cc5c(cc43)OCO5)ccc2c1 35741618 WQWAUEKHCKFPIR-NIJIEXERSA-N 359.425 5.109 0 40 FKAB O=C(CSC/C=C/c1ccccc1)Nc1ccc(C(F)(F)F)cc1 58065695 CWGWKUBEPOHTGB-QPJJXVBHSA-N 351.393 5.091 0 40 FKAB Cc1ccc2c(CNC(c3ccccc3)c3ccccc3)cc(=O)oc2c1C 58164933 GDFXOCQLRDLBSR-UHFFFAOYSA-N 369.464 5.289 0 40 FKAB CCc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)cc(C)c3O)nc2c1 70462029 DXOGEUBRHCKJAU-UHFFFAOYSA-N 352.434 5.056 0 40 FKAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2ccc(O)cc2)S1 71284906 GWJPGVDVCINYES-KRWDZBQOSA-N 357.479 5.076 0 40 FKAB Oc1cccc2c1CC[C@H]2Nc1nc(-c2ccsc2)nc2ccccc12 72307617 MOPWSJMYKLERTJ-GOSISDBHSA-N 359.454 5.163 0 40 FKAB CC(C)(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118927761 MENHVRZEYBHNIS-YNULJPEOSA-N 374.565 5.556 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2cccc(C)c2)cc1 222744141 IMGSOANUTMBJSD-OAQYLSRUSA-N 371.546 5.140 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)cc1F 223630688 YFMSTYFXXNVJBX-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 225306679 SKIOVMRUWXZTCP-QHCPKHFHSA-N 363.888 5.487 0 40 FKAB S=C(NCCCc1cccc2ccccc12)Nc1cccc(Cl)c1 225808131 GWPRUDWTOGNZKU-UHFFFAOYSA-N 354.906 5.412 0 40 FKAB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 247932653 QZFAQZJNUOXQME-RTOVEXDRSA-N 367.876 5.643 0 40 FKAB COc1ccc(-c2cccc([C@@H]3OC(C)(C)[C@@H]4C[C@H](O)[C@@H](C)[C@@H]3C4)c2)cc1 257216769 CVZGATDOZLCQQR-HIJCWAQPSA-N 366.501 5.235 0 40 FKAB Cc1ccc(SCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 408867019 IVDSQNYUYAJLAI-WEVVVXLNSA-N 366.313 5.224 0 40 FKAB CCN(CC)C(=O)N1c2ccccc2C[C@@H](N(CC)CC)c2ccccc21 1245580 DUXONKOEFSZBRM-JOCHJYFZSA-N 365.521 5.226 0 40 FKAB COc1ccccc1N[C@H](c1ccccc1OC)c1c(C)[nH]c2ccccc12 1298088 OFQWDIWPBZRSFC-XMMPIXPASA-N 372.468 5.695 0 40 FKAB O=C(Nc1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 1401657 PDLFFSPSJQEADI-UHFFFAOYSA-N 351.409 5.063 0 40 FKAB aggregator O=C1O[C@@](c2ccccc2)(c2cccc3ccccc23)C[C@H]1c1ccccc1 1587888 PNJGNAASVBVSPS-OZXSUGGESA-N 364.444 5.814 0 40 FKAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1 1912256 HHYLTYRWMUMJHY-HOYKHHGWSA-N 357.501 5.702 0 40 FKAB CCCCSc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2283045 ZTNHAGXLOJZBKM-UHFFFAOYSA-N 357.548 5.573 0 40 FKAB Cc1cccc(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(C)c2)c1 2590303 KEYXKFIWKCIKJN-UHFFFAOYSA-N 371.263 6.496 0 40 FKAB Cc1cccc(NC(=S)N(Cc2c(C)noc2C)c2ccccc2)c1C 2663726 ORCFGYOAQMEBRE-UHFFFAOYSA-N 365.502 5.312 0 40 FKAB Cc1cccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3nc4ccccc4n32)c1 2919843 RSMZBNMTYNNKSJ-DEOSSOPVSA-N 365.480 6.018 0 40 FKAB CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 5378136 YTFUSKKFMOVPSQ-FAMVBUEOSA-N 366.411 5.108 0 40 FKAB Clc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 5459111 CTYAQJOUUZMTCJ-PZJWPPBQSA-N 359.860 5.836 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2c(C)cc(C)cc2C)cc1 6084857 NQRWGYJPVZWYKQ-UHFFFAOYSA-N 364.514 5.533 0 40 FKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2ccccc21 6085308 UXFQPGBKXPPMLI-UHFFFAOYSA-N 357.331 5.168 0 40 FKAB CCn1c(SCc2ccccc2Cl)nnc1-c1cc2ccccc2o1 6605400 OQNVUSCRMQDGSV-UHFFFAOYSA-N 369.877 5.657 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(C)cc1 6940560 KCWCEJLPBDBXNM-MRXNPFEDSA-N 363.324 5.195 0 40 FKAB Clc1ccc(COc2ccc(CNCc3ccco3)cc2)c(Cl)c1 7523589 ZOZSFDZWIRHITD-UHFFFAOYSA-N 362.256 5.455 0 40 FKAB CO[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 8106349 CVCMJJGZXDZDBI-FQEVSTJZSA-N 367.832 5.459 0 40 FKAB COc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1 8190821 WJIKAQZKEBFMGR-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8326693 FQOAJXPMPUGMLZ-LBPRGKRZSA-N 372.723 6.114 0 40 FKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(C3CC3)o2)c2ccc(C)cc2)cc1 9516137 UXQZJONUPQQBNX-IBGZPJMESA-N 364.470 5.280 0 40 FKAB COc1ccc(CCCC(=O)Nc2cccc(Cl)c2Cl)cc1C 9615096 NWVBXCLUKKTYHA-UHFFFAOYSA-N 352.261 5.272 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccs4)cc3)oc2cc1C 10120379 OEJUNMIQHXLFDP-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 12620162 WMMQNJYCLPGUHQ-UHFFFAOYSA-N 370.399 5.062 0 40 FKAB O=C(Nc1ccccc1C(=O)c1ccccc1)Nc1cccc2ccccc12 16477055 CVKACSOKYLWUIN-UHFFFAOYSA-N 366.420 5.715 0 40 FKAB CCCCCCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 17086149 JWMLLNXCJCXPPQ-PGMHBOJBSA-N 363.457 5.299 0 40 FKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccco1 20895217 ZETGSMHSOZKVFP-UHFFFAOYSA-N 366.467 5.434 0 40 FKAB Clc1ccc(-c2ccc(CN[C@@H]3CCOc4ccccc43)s2)cc1 24082000 OZJNGBHABYJSJB-GOSISDBHSA-N 355.890 5.682 0 40 FKAB O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1Cl 32738176 GWWJQIDPAIYOAQ-UHFFFAOYSA-N 366.829 5.231 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1C 33298150 VCPDLUWUZZKLLQ-UHFFFAOYSA-N 365.433 5.207 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)cc1 44935886 QQIOJBFMZLOSJF-QHCPKHFHSA-N 364.533 5.108 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc(C)c1Cl 44946251 MWVQYTGWVZJVPU-CQSZACIVSA-N 366.288 5.036 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1 52410792 FTRQETADPPDTJD-UHFFFAOYSA-N 371.651 5.248 0 40 FKAB CN(CC1CCCC1)C(=O)c1cc2ccccc2n1Cc1ccccc1F 58415374 KKPLNYJIFSNSHX-UHFFFAOYSA-N 364.464 5.091 0 40 FKAB CC(C)N(C(=O)/C=C/c1cscn1)c1ccc(Nc2ccccc2)cc1 60245885 ADMBKHKJXWLYET-JLHYYAGUSA-N 363.486 5.342 0 40 FKAB CC(C)=C[C@@H](O)C/C(C)=C/CCc1c2ccoc2cc2oc(=O)ccc12 87493308 FBBLYIUMOWEBEF-HSUWOCHWSA-N 352.430 5.135 0 40 FKAB C[C@H](NC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 101112679 DBWCPODJZMDQMG-ZCYXTWNBSA-N 373.540 5.792 0 40 FKAB Clc1ccc(C2=C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102565431 MSZSVKLWWXBMIP-HXUWFJFHSA-N 358.832 5.141 0 40 FKAB C[C@@H](NC(=O)/C(=C/c1cccs1)c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 110560815 WREBBBLIVDZORN-JUETXNOQSA-N 357.544 5.291 0 40 FKAB Cc1c(Br)cccc1-c1nc2cc(-n3cccc3)ccc2o1 216743239 JVMDVDBDNQBMMW-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)Cc1ccccc1 223276423 OOFINUOFNMKKGC-NRFANRHFSA-N 361.485 5.135 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1C(C)C 223330181 PRMPAYIWLWGTMO-ROUUACIJSA-N 369.505 5.080 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C 223454138 LYMWUVBKFUTTPX-OALUTQOASA-N 361.485 5.410 0 40 FKAB COc1ccccc1[C@@H](C)NC(=O)/C(=C/c1ccccc1)c1ccccc1 224037009 YOVYNDXTBYQPNV-YMNYDYPGSA-N 357.453 5.113 0 40 FKAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1Cl 225064785 ZWYMETYFRXDNGF-UHFFFAOYSA-N 374.264 5.013 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl 225375903 FIUXMPLDYJKKCH-AWEZNQCLSA-N 350.289 5.064 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225665498 IJRROPUHENNOKO-RADWXHQJSA-N 361.526 5.486 0 40 FKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC(C)CC1 225669612 NIGJWASHCSEMEE-OJCRERRGSA-N 361.526 5.486 0 40 FKAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc2ccccc12 226253895 FIEFVZULTMBAQN-INIZCTEOSA-N 359.473 5.053 0 40 FKAB O=C(COc1ccc(C2CCCCC2)cc1)NC12CC3CC(CC(C3)C1)C2 408629266 TVELDMNCSQSLHW-UHFFFAOYSA-N 367.533 5.198 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408783739 QEXVNTGFGHIQEU-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB CC1(C)CC(=O)c2c(nc3c(c2-c2cccc(F)c2)[C@H](O)c2ccccc2-3)C1 408986203 ONOZREVGLOSAQA-HSZRJFAPSA-N 373.427 5.105 0 40 FKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccc(Cl)cc2)c1 409112480 CYYGTIIKRNVSGO-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc12 991236 XHJLZUNNYRRNSV-UHFFFAOYSA-N 355.393 5.179 0 40 FKAB Cc1nc(SCC(=O)c2ccccc2)c2c3c(sc2n1)C[C@H](C)CC3 1326153 DECJHNWAFFONSX-GFCCVEGCSA-N 368.527 5.100 0 40 FKAB Cc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1-c1ccccc1 1510385 DNUJISFXVBNYHX-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB c1ccc(-c2cc3c(Sc4ccc5ccccc5c4)ncnc3s2)cc1 1801767 RXRRIHWXOZPAQK-UHFFFAOYSA-N 370.502 6.663 0 40 FKAB CS[C@@]1(c2cccc3ccccc23)ON=C(c2ccc(Cl)cc2)S1 2053645 KUCIIZCGANKEKD-LJQANCHMSA-N 371.914 6.092 0 40 FKAB Fc1ccccc1NC(=S)Nc1ccc(Br)cc1Cl 2638347 MFEBZJBPKPCMPQ-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(F)cc(F)c3)ccc21 2639918 VGONANLUOBSPRL-UHFFFAOYSA-N 350.368 5.345 0 40 FKAB Cc1cc(C)n2nc(Nc3ccccc3)c(-c3nc4ccccc4s3)c2n1 3239304 CKDHFSZXONLCEB-UHFFFAOYSA-N 371.469 5.366 0 40 FKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Oc1ccc(Cl)c2ccccc12 3353704 RPTZAYRQUFZYCI-KPKJPENVSA-N 374.770 5.713 0 40 FKAB CC(C)(C)c1ccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)cc1 3648648 PFNRGJDQBCSXFQ-UHFFFAOYSA-N 361.485 5.611 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 4675974 PYUNWEMNQUTQNK-QGZVFWFLSA-N 354.494 5.064 0 40 FKAB Clc1ccc2nc(SCc3ccc(Br)cc3)oc2c1 4769810 WYOAEBCNXCTCAO-UHFFFAOYSA-N 354.656 5.536 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc2ccccc12 4836687 GFWUTFZNRLLTKD-UHFFFAOYSA-N 361.441 5.067 0 40 FKAB CSc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 5033094 RSWJTVSGLNFQII-UHFFFAOYSA-N 353.443 5.141 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccccc1Cc1ccccc1 5938438 HQMJRSRZXBSQJE-UHFFFAOYSA-N 351.449 5.612 0 40 FKAB C[C@H](Sc1ccc(Br)cc1)c1nnc(-c2cccs2)o1 9513996 JJILMCVTVKAHQO-VIFPVBQESA-N 367.293 5.414 0 40 FKAB O=C(NC1CC1)[C@H](Sc1ccc2ccccc2c1)c1ccc(F)cc1 12254467 CJOSRCHOYDGKFD-HXUWFJFHSA-N 351.446 5.091 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccc(Cl)cc1 13038399 QLWQJZYGKRQYBL-MRXNPFEDSA-N 372.940 5.876 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccccc1 14397269 LMGVWMMVDNDJCT-MRXNPFEDSA-N 365.860 5.013 0 40 FKAB COC(=O)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1 16194246 JQOBKWYCFZOYDA-UHFFFAOYSA-N 359.450 6.158 0 40 FKAB c1ccc(C(SC2CCCCC2)(c2ccccc2)c2ccccc2)cc1 16477636 PCUCCCWMKZBAOR-UHFFFAOYSA-N 358.550 7.044 0 40 FKAB Cc1c(CN[C@@H](Cc2ccsc2)c2nccs2)[nH]c2ccc(F)cc12 19565543 DNSVMLCESMURED-KRWDZBQOSA-N 371.506 5.207 0 40 FKAB Clc1ccc(COc2cccc(CNc3ccc(Cl)cc3)c2)cc1 33768651 FPJBTSOAPNJAOW-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1cccc(Cl)c1C 35681743 PMTOGYDYRJMJFI-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB CCc1cc(Br)c2oc(-c3ccc(F)c(Cl)c3)nc2c1 57351609 KMWTWQHXNXPRSC-UHFFFAOYSA-N 354.606 5.612 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1 95950211 IGAOLMYIBYUCQF-UHFFFAOYSA-N 351.899 5.055 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222970334 BYHPJYCZUUYQCX-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c2ccccc12 225820975 QDSKHGIQYKWWGA-QFIPXVFZSA-N 357.494 5.408 0 40 FKAB CCOc1ccccc1NC(=S)NC1(CCc2ccccc2)CCCC1 225848080 LRUWCBNEOQNTSG-UHFFFAOYSA-N 368.546 5.317 0 40 FKAB Clc1ccc(COc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 226295339 VNAGOQYTGVHQGC-UHFFFAOYSA-N 370.235 6.381 0 40 FKAB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 247932646 QZFAQZJNUOXQME-OSEOCOMQSA-N 367.876 5.643 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408619551 CSKWMHYKMWIUSY-UHFFFAOYSA-N 371.786 5.646 0 40 FKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(Cl)cc1 940244 YTKCZEVMCCZWAB-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB CCCCCCOc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769964 AEDODDLJGFSCMN-UHFFFAOYSA-N 352.430 5.853 0 40 FKAB biogenic COc1ccccc1C1N(c2cccc(C)c2)CCN1c1cccc(C)c1 2027265 HUCOETJASQMIBS-UHFFFAOYSA-N 358.485 5.337 0 40 FKAB Cc1ccc(-n2sc3c(c2=S)-c2cc(Cl)ccc2NC3(C)C)cc1 2057318 GTBYNOBEJCTHDL-UHFFFAOYSA-N 372.946 6.558 0 40 FKAB C(=C/c1ccc2oc3ccc(/C=C/c4ccccc4)cc3c2c1)\c1ccccc1 2074749 DDDMBHCNVWBLAY-PHEQNACWSA-N 372.467 7.927 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3)n2)cc1 2733446 TXUVZILWEPAGLB-UHFFFAOYSA-N 358.872 6.477 0 40 FKAB Cc1ccc(Cn2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 2763926 GCSQNNGHQAYZIQ-UHFFFAOYSA-N 367.452 5.159 0 40 FKAB Cc1ccc(Sc2ccc(Cc3ccc(Cl)cc3Cl)nn2)cc1 3052143 ONWMXHFNIUKDHL-UHFFFAOYSA-N 361.297 5.834 0 40 FKAB COc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3194482 OGBSGTNMIQVLLE-UHFFFAOYSA-N 372.399 5.302 0 40 FKAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CCCCC1 3290986 LIGCLZSDOOOHSK-SFHVURJKSA-N 373.497 5.193 0 40 FKAB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3cc2C)cc1F 4089399 GAJGJRWSPSTJNW-UHFFFAOYSA-N 367.811 5.173 0 40 FKAB O=P(Oc1ccccc1)(Oc1ccccc1)N1CCCc2ccccc21 4619851 JALQZCRZBNRDOR-UHFFFAOYSA-N 365.369 5.705 0 40 FKAB Cc1nsc2nc3c(F)c(F)c(N[C@@H](C)c4ccccc4)c(F)c3cc12 4666718 NQKITFOCCACBCU-VIFPVBQESA-N 373.403 5.743 0 40 FKAB FC(F)(F)c1ccc(-c2nnc(/C=C/c3ccc(Cl)cc3)o2)cc1 4667807 POFJNNJQBBOBKD-XCVCLJGOSA-N 350.727 5.579 0 40 FKAB CCO[C@@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 4896291 CPLHRXMRMDSXNE-RPBOFIJWSA-N 373.496 5.150 0 40 FKAB Brc1ccc(-c2ccc(-c3nnc(-c4ccco4)o3)o2)cc1 5034192 YMCFBDAWMCCXHO-UHFFFAOYSA-N 357.163 5.019 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Oc2ccccc2)cc1 5684378 BLMBZOUJCUUVFA-UHFFFAOYSA-N 369.420 5.650 0 40 FKAB CC(C)C(=O)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 5976869 IPUXVISXIBKRCD-UHFFFAOYSA-N 369.534 5.100 0 40 FKAB O=C(CCSCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 7685327 FCAPBGSSEMBJEL-UHFFFAOYSA-N 373.827 5.621 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)ccc1OCc1ccccc1 7687212 CHAZFLXVLJEHFP-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 7699644 VINFBNHVAPUJAO-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB c1ccc(-c2csc(SCc3nnc(-c4ccccc4)o3)n2)cc1 7778937 BONQIBLEVDIDBA-UHFFFAOYSA-N 351.456 5.152 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCCCC2 8279764 RPLITXGTHTVOEM-ZDUSSCGKSA-N 370.543 5.460 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 9063967 CIJFAORKRFFQOG-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3F)C2)cc1 9184088 WDCXOARFDCIPKS-IBGZPJMESA-N 351.450 5.255 0 40 FKAB OC1=Nc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2cc(F)cc(F)c2)C1 9421669 NDSOJRIHKKPULJ-AWEZNQCLSA-N 359.763 5.132 0 40 FKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 13583936 SHZZXAYLFFLORP-VHXPQNKSSA-N 356.494 5.806 0 40 FKAB CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17268800 JAYIMURMQQMCJB-MRXNPFEDSA-N 372.476 5.078 0 40 FKAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)cc1 20042898 LRANFRBVIHFGLZ-DEOSSOPVSA-N 357.497 5.785 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccc(Oc2ncnc3ccccc23)cc1 24057711 SNJNZEAHHHEJLH-UHFFFAOYSA-N 360.800 5.307 0 40 FKAB CCc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 27580238 OMNNBZASOUHCGP-UHFFFAOYSA-N 369.461 5.062 0 40 FKAB CCCc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccccc3)c2n1 27585134 XDKCLTMFGXZXSU-UHFFFAOYSA-N 362.864 5.746 0 40 FKAB CN(Cc1ccccc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 29485464 QDARQCHQGUSUBK-UHFFFAOYSA-N 368.436 5.281 0 40 FKAB Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1C(=O)CC1(CCCCC1)O2 30822734 CFTVTJBVWQAOQP-UHFFFAOYSA-N 374.436 5.437 0 40 FKAB C[C@@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)N1CCCC1 39916906 VQLQDVGVKIMPDN-AWEZNQCLSA-N 357.860 5.034 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccc(CN(C)C)cc1 40096315 JHVMQIFUOGSMGJ-UHFFFAOYSA-N 367.537 5.317 0 40 FKAB COc1ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3Cl)c2c1 41156492 AOMVTUQSEOVMIR-UHFFFAOYSA-N 350.201 5.309 0 40 FKAB O=C(CSc1cccc2cccnc12)Nc1cc(Cl)ccc1Cl 57469031 YBFAQNSGPOSWIB-UHFFFAOYSA-N 363.269 5.272 0 40 FKAB Cc1cc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c(C)n1CC(F)(F)F 61570123 UFXIWGBBWUZBSM-QGZVFWFLSA-N 370.459 5.242 0 40 FKAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(C(F)(F)F)c1 96399812 SXURCVJNEDCTJM-UHFFFAOYSA-N 351.368 5.155 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C 218987824 MWHVCZWXXXXACJ-LJQANCHMSA-N 359.469 5.373 0 40 FKAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1)Cc1ccccc1 224064439 CEOLYZFYUHEGCT-UHFFFAOYSA-N 368.436 5.184 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225801407 GPOIZWSCXGPZRD-QGZVFWFLSA-N 361.404 5.028 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@H](C)C1 225853157 ZVLVVNWRQCJYFI-SCLBCKFNSA-N 373.415 5.028 0 40 FKAB CCOc1cc(/C=C/C(=O)Nc2ccc([C@H](C)CC)cc2)ccc1OC 408600972 HYKSAZANZZTRBP-FCONWMNKSA-N 353.462 5.259 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 408605094 WTKQAEXEOVNSSU-OVCLIPMQSA-N 363.388 5.279 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1 409112060 JWBKRGCRBRCYRZ-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB Cc1ccc(SCC(=O)Nc2c(C)cc(Br)cc2C)cc1 409182933 QKRRQIXXVKJNGZ-UHFFFAOYSA-N 364.308 5.105 0 40 FKAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1C 691568 IIKNQSOQSUJLLF-UHFFFAOYSA-N 365.502 5.017 0 40 FKAB Cc1sc2nc(SCc3cccc4ccccc34)n(C)c(=O)c2c1C 2376171 BKODSEKTLXHQMP-UHFFFAOYSA-N 366.511 5.057 0 40 FKAB O=C(c1ccccc1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 2512662 YBTNCNBKONXGBH-UHFFFAOYSA-N 369.464 5.368 0 40 FKAB Cc1ccc(-c2csc3ncnc(Sc4ccc(Cl)cc4)c23)cc1 2888986 NKPWMYLASYDKPN-UHFFFAOYSA-N 368.914 6.471 0 40 FKAB Fc1ccc(CSc2nc(NCc3ccco3)c3ccccc3n2)cc1 2948659 WIOJSEPFISSTRB-UHFFFAOYSA-N 365.433 5.266 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 3161850 BZLNVIUAFGKMPS-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 3330246 IHRGHHDLHHGLGR-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3ccccc3C(=O)O)o2)o1 3848501 KGFOQGMQFLSJDW-UHFFFAOYSA-N 362.381 5.628 0 40 FKAB biogenic CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 3850056 OLFAUBNLGRKABZ-QESVLWSZSA-N 360.538 5.037 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1F 4070178 QNXLPJZELZJOJV-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 4070408 UZTBLOMBLPDLIB-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cccc(Cl)c1 4176306 PFXFFAKGHRNBGR-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc1 4184512 RSFNNCWJYBJORC-NRFANRHFSA-N 367.876 6.837 0 40 FKAB COc1ccc(N2C(=O)C(c3ccccc3)=C(C)O[C@@H]2c2ccccc2)cc1 4658971 AWZDPBRLDOMWSU-XMMPIXPASA-N 371.436 5.188 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCCC2=CCCCC2)cc1 4691416 CUXUZWWJJVOJNX-SFHVURJKSA-N 370.537 5.172 0 40 FKAB CSCCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 5638187 KUVYAJHZBFBNPA-UHFFFAOYSA-N 361.923 5.043 0 40 FKAB Cc1nnc(-c2ccc(Cl)cc2)c2cn(-c3ccc(Cl)cc3)nc12 5792656 MOGDAGJVFZMSPM-UHFFFAOYSA-N 355.228 5.098 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)s2)N3)C1 6202946 DCUPQXRIUAKNOU-PXAZEXFGSA-N 374.575 6.088 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 6215641 DTJVVGNODBJNPV-UHFFFAOYSA-N 369.420 5.893 0 40 FKAB CC[C@@]12CCC3=C(C1=CC[C@@H]2OC(C)=O)[C@H](C)Cc1cc(OC)ccc13 6934172 GIYSITPKERYJBK-ZQQNNKCXSA-N 352.474 5.093 0 40 FKAB Clc1cccc(-c2noc(CSc3ccc4ccccc4n3)n2)c1 7920763 VCSHUNQSJJYEDZ-UHFFFAOYSA-N 353.834 5.231 0 40 FKAB C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 10113053 SDCVBWJUQDXNDW-SFHVURJKSA-N 364.533 5.465 0 40 FKAB CCCCCCc1cc2c(=O)c(-c3ccc(Cl)cc3)coc2cc1O 11847619 HXOAPTMXQFKTGP-UHFFFAOYSA-N 356.849 5.942 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc2)cc1 15839676 OUHWYPHEJXPFEI-JOCHJYFZSA-N 358.485 5.207 0 40 FKAB Cc1cc(C)c(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c(C)c1 16850231 LPCYBUNPOUMIGG-UHFFFAOYSA-N 369.465 5.132 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)c(C)c1 20044415 KTTNNIYXFJPNKD-QGZVFWFLSA-N 374.509 6.377 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccc(C)cc1 20493380 QALVBDMHKZFCEW-YADHBBJMSA-N 361.485 5.573 0 40 FKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCCC2 21398236 ANFGKNNYBPNYOV-QGZVFWFLSA-N 374.484 5.030 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1Cl 22514929 NYNPAHYWXDHZQK-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB COc1cc(NC(=O)c2sc3cccc(C)c3c2Cl)cc(OC)c1 25511795 PNVVZDZUYQJOHP-UHFFFAOYSA-N 361.850 5.133 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 33077004 HVYNLPYGNZHRGT-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CCCCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 41007107 VBNMVJCOWNTSEN-UHFFFAOYSA-N 372.262 5.790 0 40 FKAB CC(C)CC(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 70462032 MLNKKUPGJCHOOL-UHFFFAOYSA-N 352.434 5.308 0 40 FKAB COC(=O)c1ccccc1-c1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)o1 95468335 CLYJQEVBIZPDRD-UHFFFAOYSA-N 358.397 5.099 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222907555 WMEPJBBHMLZZGT-IRXDYDNUSA-N 353.531 5.232 0 40 FKAB CCSc1ccccc1C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223353876 VVGYKQAZSXAZGA-MRXNPFEDSA-N 371.546 5.730 0 40 FKAB CCc1cccc(C)c1NC(=O)CSCc1ccc(Cl)cc1F 224667553 FXHSDSUYMXDMKR-UHFFFAOYSA-N 351.874 5.222 0 40 FKAB CCCCOCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OCC 224733296 BJXDQUPJJWNCCR-INIZCTEOSA-N 373.468 5.032 0 40 FKAB FC(F)(F)c1cccc(NC(=S)NCCSC2CCCCC2)c1 225356931 KZFXXBRIJYCBFD-UHFFFAOYSA-N 362.486 5.058 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(Cl)c2)cc1 225497216 BKUSMXILKSPONH-GOSISDBHSA-N 362.926 5.422 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225665607 SWAQUYDFJCLNTF-JTSKRJEESA-N 361.526 5.344 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2cccc3ccccc23)c1 409120061 UTAGGLSDWYAHNZ-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)c(C)c1 409121605 YWZPDAFTHDZIDS-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Clc1cccc(COc2cccc(CNc3ccccc3Cl)c2)c1 409176748 WOLDGLFFHOSIAT-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 682501 WRGGWGZFADLUMA-GOSISDBHSA-N 358.437 5.244 0 40 FKAB Cc1ccccc1NC(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12 1030772 SWLGUOGRIUMOII-GCKKQHTFSA-N 353.465 5.621 0 40 FKAB CCC(=O)C(C[C@H](C)N1CCCCCC1)(c1ccccc1)c1ccccc1 1646374 UPZPEJYGCRTBQA-NRFANRHFSA-N 363.545 5.606 0 40 FKAB C[C@@H]([C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C 1758859 IFPVPHDPCJQNOZ-CYFREDJKSA-N 373.496 5.053 0 40 FKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2/C=C/c2ccccc2)cc1 2065930 YLQXRXLXWRCBSU-SFQUDFHCSA-N 354.497 5.670 0 40 FKAB C[C@@H]1CCCC[C@@H]1NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2 2073053 FTCPIVITLHZQEE-IERDGZPVSA-N 370.496 5.309 0 40 FKAB CCCOc1ccc(-c2nc(N3CCC(C)CC3)c3ccccc3n2)cc1 2306460 VEYTVQPPCVONCR-UHFFFAOYSA-N 361.489 5.322 0 40 FKAB C[C@H]1C[C@@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccccc1 2322921 JHEJTELHSRTSOX-HRAATJIYSA-N 360.432 5.418 0 40 FKAB Cc1ccc(N2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)cc1 3140896 HBHCSPHUXZPYAG-UHFFFAOYSA-N 356.208 5.256 0 40 FKAB O=C(OCc1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12 3282464 XOKMWIGBXPNRMY-UHFFFAOYSA-N 373.839 5.912 0 40 FKAB O=C(c1ccc2ccccc2c1)c1cnc2ccccc2c1-c1ccccc1 4452682 IHHYQDHFYLSUHS-UHFFFAOYSA-N 359.428 6.286 0 40 FKAB Cc1cccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)c1 4676142 GPWHPUKJQSEXRO-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 5256441 CBUIVSWWNFSEHG-QFIPXVFZSA-N 359.473 5.050 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 6236090 BSQFZNUZTQKJOP-GFCCVEGCSA-N 366.288 5.524 0 40 FKAB CC(C)c1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 6782218 HBZYCUSKQBKGEY-DQRYEYLNSA-N 360.501 5.678 0 40 FKAB biogenic Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1cccc2ccccc12 6962098 YHGAEBZKKJAUQD-PXLXIMEGSA-N 364.448 5.740 0 40 FKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)cc1 8904024 GMSFWKPKVRVZIP-UHFFFAOYSA-N 357.837 5.082 0 40 FKAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9758446 JACQOQDSEQIMPY-ORAYPTAESA-N 360.860 5.333 0 40 FKAB Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1cccnc1)O2 10215527 SLFHGNARAIBYKK-LPHOPBHVSA-N 367.861 5.039 0 40 FKAB Clc1cc(CNc2ccccc2-c2ccccc2)c2c(c1)COCO2 11619149 BWTMXIMQCVKEJR-UHFFFAOYSA-N 351.833 5.486 0 40 FKAB CCC(=O)Nc1c(-c2cc(=O)oc3cc(C)c(C)cc23)oc2ccccc12 11865182 BFTYOCATLLDVNX-UHFFFAOYSA-N 361.397 5.172 0 40 FKAB biogenic CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccccc3C)c2c1 11866417 VVENRNJBKPSLKX-UHFFFAOYSA-N 371.436 6.059 0 40 FKAB biogenic CCc1cccc(C)c1NC(=O)c1csc(COc2ccc(C)cc2)n1 12774306 IMYADXCIKQJGIV-UHFFFAOYSA-N 366.486 5.154 0 40 FKAB COc1cccc(-c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1 13002231 JCWYWIHUGNJCBS-UHFFFAOYSA-N 366.486 5.470 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1OCc1ccccc1 14035504 IOMFGEBQSPHWGJ-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2ccccc2)cc1 14898487 IHCCNNKYHUQEIM-UHFFFAOYSA-N 368.436 5.498 0 40 FKAB Cc1ccc(-c2noc(CN[C@H](Cc3ccccc3)c3ccccc3)n2)cc1 15487577 ISFQIUAGIVBADV-JOCHJYFZSA-N 369.468 5.119 0 40 FKAB Fc1ccccc1CCNCc1ccc(OCc2ccccc2Cl)cc1 16449544 PERKFSCHQSSHLZ-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1sc2ncnc(Nc3cccc(C(=O)O)c3)c2c1-c1ccccc1 20272603 AUJDLGWTNPBCBU-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB Fc1ccccc1COc1ccccc1CNC1C2CC3CC(C2)CC1C3 22073736 VNGKLNRXZNLSSW-UHFFFAOYSA-N 365.492 5.319 0 40 FKAB c1ccc2c(c1)OCC[C@H]2Nc1nc(-c2ccsc2)nc2ccccc12 24925323 ROANYMUWCSNIII-GOSISDBHSA-N 359.454 5.294 0 40 FKAB COc1cccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)c1 29507580 NTCIWMKDZYFMDU-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB Cc1cc(Br)c2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 40542323 PGNKFPSUXQHKIQ-UHFFFAOYSA-N 357.034 5.873 0 40 FKAB CC(C)Cn1ccc2cc(NC(=O)CCCc3nc4ccccc4[nH]3)ccc21 48362685 RDGXLDZYCZZLNH-UHFFFAOYSA-N 374.488 5.135 0 40 FKAB Clc1cccc2c(-c3nc4cccc(Cc5ccccc5)c4o3)cccc12 57352803 ZOUOHHFYFGTJCD-UHFFFAOYSA-N 369.851 6.892 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351384 UPMZEOIXPUKIMU-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB CC(C)Sc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72217512 UTRAEIOZTKUYRZ-LJQANCHMSA-N 370.518 5.446 0 40 FKAB Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1 75342215 ITMCKABATFPTBG-UHFFFAOYSA-N 351.258 5.260 0 40 FKAB COc1ccc(/N=c2/cc(-c3ccc(OC)cc3)oc3ccccc23)cc1 100346814 WPOZDTNLQLMWQF-FLFQWRMESA-N 357.409 5.349 0 40 FKAB CCn1c(-c2ccc(F)cc2)cs/c1=N/c1cccc(C(F)(F)F)c1 101385421 VKNVLTXUIUGPMO-HAVVHWLPSA-N 366.383 5.627 0 40 FKAB CC1(C)CC(O)=C[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 102628330 MDYMAZDVTJBOGX-REWPJTCUSA-N 360.457 5.188 0 40 FKAB CCCCc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219856992 XDULZUAXMLEWAE-UHFFFAOYSA-N 350.506 5.193 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 222927399 MPYQXBDELSGHBM-NRFANRHFSA-N 351.490 5.121 0 40 FKAB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223017830 JPSNQVHTEZKTEO-QFIPXVFZSA-N 367.558 5.375 0 40 FKAB CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc2c(c1)CCCC2 223100355 APTNPIWNFZZIKD-QHCPKHFHSA-N 373.496 5.608 0 40 FKAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc2c(c1)CCCC2 223133516 YRCRNUUCGRMGGH-LJQANCHMSA-N 357.881 5.109 0 40 FKAB COc1ccc(C(=O)N2CCCCCC2)cc1CSc1ccc(C)cc1 224340485 HBMAQWXNBPTOSJ-UHFFFAOYSA-N 369.530 5.312 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccccc2)c2ccccc2O1 224963317 OLNGHTIULMELMD-LJQANCHMSA-N 369.530 5.119 0 40 FKAB CC(=O)N(C)c1ccc(NCc2ccc(-c3ccccc3Cl)o2)cc1 225421696 HSTBZLHYNZZGDP-UHFFFAOYSA-N 354.837 5.195 0 40 FKAB CCc1ccc(CC)c(CNC(=O)CCSc2ccc(Cl)cc2)c1 225825795 PVPMKCQMTJMQQQ-UHFFFAOYSA-N 361.938 5.263 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225883157 IUPPGGPNCRLXSM-UHFFFAOYSA-N 363.476 5.475 0 40 FKAB CCc1ccc2oc(-c3cccc(N4Cc5ccccc5C4=O)c3)nc2c1 226287308 TZNVGEFFYHIZNW-UHFFFAOYSA-N 354.409 5.218 0 40 FKAB CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408571467 BZKGYKVCNSMGJF-WYMLVPIESA-N 374.440 5.193 0 40 FKAB COc1cccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 408783412 LDFGWDPZRLJCGR-UHFFFAOYSA-N 363.482 5.381 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccccc1 409053641 NTRZPLPZLXJDIZ-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@@H]1C[C@H]1c1ccccc1 670549 QJLYBIFURXAANY-VQTJNVASSA-N 370.477 5.706 0 40 FKAB Cc1cccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1C 682508 XXKVOGDTMTZEFT-LLVKDONJSA-N 372.679 5.670 0 40 FKAB CC(C)COc1ccc([C@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 822592 ZWVOOYMMRUJKIY-ZEQRLZLVSA-N 367.533 5.025 0 40 FKAB Fc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1 2688258 CKULGZSJOLVWHD-UHFFFAOYSA-N 353.400 5.391 0 40 FKAB O=C(O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1 4243173 AMMQBBXJNLMQOB-UHFFFAOYSA-N 364.401 5.544 0 40 FKAB CCOc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1 4355988 RTHGAXAWYXYHDF-UHFFFAOYSA-N 374.868 5.627 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccc(Cl)cc1 4689346 YGVKARJYYQWJGO-UYRXBGFRSA-N 361.828 5.412 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)on1 4880511 YGZJSNOICHATQD-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB aggregator COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)cc4)c3c2c1 4969933 ULCQXOQIFFAKCT-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 4974068 AENOXHKGVOKDNL-SNVBAGLBSA-N 370.699 5.222 0 40 FKAB C[C@H](c1ccccc1)N(C(=O)c1ccccc1Cl)[C@H]1CCOC(C)(C)C1 5488028 WXCZQBUQQLWSLH-AEFFLSMTSA-N 371.908 5.501 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1C 6260878 ZFWWDJKWBXPHLX-UHFFFAOYSA-N 370.905 5.570 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 6398121 JBZHORDBOFDZQH-UHFFFAOYSA-N 366.530 6.189 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1 6857377 ZWZSROPFSIFCRH-UHFFFAOYSA-N 355.522 5.579 0 40 FKAB CCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7261263 KOVVADGAEFLFKJ-UHFFFAOYSA-N 352.305 5.852 0 40 FKAB CCOc1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8714098 BTLFXIWYOFKUOL-HJPURHCSSA-N 368.521 5.048 0 40 FKAB Cc1cc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2cc1C 11869719 UPIWVAGRRCMPKL-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic Cc1ccc(-c2n[nH]c(-c3ccc(C)c(C)c3)c2Br)cc1C 12396915 RVUBACGDNCNGFZ-UHFFFAOYSA-N 355.279 5.740 0 40 FKAB COc1ccccc1CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 13720653 KHAIWPYHKXEXGK-UHFFFAOYSA-N 362.256 5.552 0 40 FKAB CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(C)cc1 14126426 LNCDBGXLQXBJRK-UHFFFAOYSA-N 367.518 5.095 0 40 FKAB Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)cc1Cl 16312886 OLXZUVIHEUBADB-QFIPXVFZSA-N 364.851 6.143 0 40 FKAB O=Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 19912783 YCFMYYPVODHVLZ-QFIPXVFZSA-N 362.379 5.133 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 20478827 OBSOPTXHAAWSJQ-UHFFFAOYSA-N 372.468 5.854 0 40 FKAB Clc1ccc2oc(/C=C/c3ccccc3OCc3ccccn3)nc2c1 22504097 OHPQCEUHAOUDCH-DHZHZOJOSA-N 362.816 5.626 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2ccco2)n1 24606167 CVMNOBFICFJKJR-UHFFFAOYSA-N 374.893 5.363 0 40 FKAB CSc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 30938128 LKXFBEVHLGMYRT-UHFFFAOYSA-N 354.519 5.037 0 40 FKAB Oc1nc(CN2CCCCCC2)nc2cc(-c3ccc(Cl)cc3)sc12 32538108 VOBBUWQKOZOHDU-UHFFFAOYSA-N 373.909 5.093 0 40 FKAB c1ccc(CN2CCCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217627 GLTSZHKAUDMKMO-JOCHJYFZSA-N 360.526 5.960 0 40 FKAB CC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 79046843 VXNLYQXIBZHDLA-UHFFFAOYSA-N 373.843 5.896 0 40 FKAB COc1cccc2c1N(C(=O)c1ccc(-c3ccccc3F)s1)CCC2 83976016 GCCJWCMNONWUBS-UHFFFAOYSA-N 367.445 5.156 0 40 FKAB Cc1cc(C)cc(/N=c2/ssc3c2-c2ccc(C)cc2NC3(C)C)c1 100115802 WQMNBDGGONSLIX-LSDHQDQOSA-N 366.555 6.295 0 40 FKAB C[C@@]12CC3CC(NC(=O)Nc4ccc(Cl)c(Cl)c4)(C1)C[C@@](C)(C3)C2 100980742 IGSATVROEVOBFD-GYLWBPJWSA-N 367.320 5.864 0 40 FKAB Clc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1Cl 107030207 ZDAWOEDZWIJQAQ-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2SC(C)C)cc1 219655750 NCMLEAPCNNKCCW-HXUWFJFHSA-N 371.546 5.713 0 40 FKAB C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223154418 NYPJMGUWPLBFRS-AWEZNQCLSA-N 359.922 5.188 0 40 FKAB Cc1ccc(SCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224970243 AYFRYVNDSKPCBC-UHFFFAOYSA-N 361.510 5.113 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521255 OOWJFGVTBNNHNC-UHFFFAOYSA-N 369.480 5.764 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225567714 USHSXAHTNASEPN-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCCSCc2ccccc2F)c1 225611395 XRVDOFBPWBEBMD-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB CCc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 651921 XTWUAPYOXYZZPJ-UHFFFAOYSA-N 350.270 6.023 0 40 FKAB COc1ccc(-c2csc(N(CC(C)C)C(=O)C3CCCCC3)n2)cc1 929193 WMIFLXPXKNVARS-UHFFFAOYSA-N 372.534 5.388 0 40 FKAB c1ccc(-c2c(-c3ccccc3)c2=NN(c2ccccc2)c2ccccc2)cc1 1631137 LUCTZKYOXBUJPN-UHFFFAOYSA-N 372.471 6.550 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 2655385 JOAZWYBWJULMLZ-VOMSXAGXSA-N 371.864 5.049 0 40 FKAB O=C(Cc1ccccc1)Nc1cc(Cl)ccc1Sc1ccccc1 3362811 XQCFHDCUVOOGPX-UHFFFAOYSA-N 353.874 5.672 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 4026272 CRRKVZVYZQXICQ-JQNLJFPESA-N 358.522 5.086 0 40 FKAB biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5[nH]c6ccccc6c5C[C@@]43C)[C@@H]1CC[C@@H]2O 4721865 XAPHYNIJAGNNNA-LKHAWJHOSA-N 363.545 5.486 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 5240747 FXBKQDHZGPYFKZ-UHFFFAOYSA-N 374.465 5.859 0 40 FKAB Fc1ccc(NC(=S)N(CCc2ccccc2)Cc2ccccc2)cc1 5736522 HGCHGOLIYKRHMB-UHFFFAOYSA-N 364.489 5.267 0 40 FKAB Clc1ccc(-c2noc(-c3ccccc3CCc3ccccc3)n2)cc1 6228315 MYKFTTYHIDKXOA-UHFFFAOYSA-N 360.844 5.842 0 40 FKAB CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6288817 WFABXVGHSGBPQC-UHFFFAOYSA-N 371.786 5.500 0 40 FKAB CC(C)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 6347835 XUDICWWQPIEDKP-UHFFFAOYSA-N 368.329 5.989 0 40 FKAB CCCCC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1OC 6591896 ZQTYQNXYXFHEED-UHFFFAOYSA-N 352.434 5.249 0 40 FKAB CCCC(CCC)C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C 6781418 QSEVBJVBYIDKPZ-UHFFFAOYSA-N 367.518 5.822 0 40 FKAB Cc1nnc(SCc2csc(-c3ccsc3)n2)n1-c1ccccc1 7370880 HRKKAZSHQBORJM-UHFFFAOYSA-N 370.528 5.053 0 40 FKAB O=C(COc1ccccc1Cl)Nc1ccc2oc3ccccc3c2c1 7778969 YWOYCDAQILMJCN-UHFFFAOYSA-N 351.789 5.257 0 40 FKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 10433831 INYJSNYHTPETAC-UHFFFAOYSA-N 357.497 5.411 0 40 FKAB CCOc1cccc2sc(NC(=O)Cc3ccc4ccccc4c3)nc12 13972891 SYIJGSUBKRTRGJ-UHFFFAOYSA-N 362.454 5.029 0 40 FKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c(Cl)c1 14114059 XDVJFFSOPMUZHX-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(C)c(C)c1 18192538 JYAIBVGCGUEOEI-UHFFFAOYSA-N 356.516 5.693 0 40 FKAB CCCCCc1cc(CCCCC)c(O)c(-n2nc3ccccc3n2)c1 21982880 CYCYSJGJOIJFEP-UHFFFAOYSA-N 351.494 5.592 0 40 FKAB CCCCCc1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1 23477782 BVXVJBYTMNPAJN-UHFFFAOYSA-N 369.468 6.198 0 40 FKAB CCOC(=O)c1sc2nc(Sc3nc(C)cs3)cc(C)c2c1C 24990649 RRWLNKSNCDXBMC-UHFFFAOYSA-N 364.517 5.006 0 40 FKAB CCc1ccc(-c2cn3cc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1 27525986 PUDCOMWDPORYLC-UHFFFAOYSA-N 370.496 5.982 0 40 FKAB c1ccc(-c2nc(NC3CCCCC3)c3oc(-c4ccccc4)nc3n2)cc1 27985954 XSJJYFVXODHAER-UHFFFAOYSA-N 370.456 5.696 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 31866829 ZQCNJFVFQJZNGP-SFHVURJKSA-N 361.510 5.381 0 40 FKAB Cc1cc2oc(=O)cc(CN(C)[C@H](C)c3cc4ccccc4o3)c2cc1C 32754477 GYMDJKKZVBQKDU-MRXNPFEDSA-N 361.441 5.349 0 40 FKAB O=C(Nc1ccc2cc[nH]c2c1)c1ccc2ccn(Cc3ccccc3)c2c1 36354743 IHGIRSTWWRMFDM-UHFFFAOYSA-N 365.436 5.423 0 40 FKAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38833695 BHODJWGCRLBULR-LJQANCHMSA-N 370.924 5.314 0 40 FKAB CCc1ccc(C(=O)N(c2ccccc2)c2ccccc2)c2ccccc12 77292319 FLUGAJPRMXKGGU-UHFFFAOYSA-N 351.449 6.381 0 40 FKAB in-vitro CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C(C)C)cc3)N21 222642146 AHMJIWIHTRRBKG-MISYRCLQSA-N 351.519 5.184 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2ccccc2c1 222788564 KGZQGTJDOVGWBB-QGZVFWFLSA-N 355.437 5.077 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1 222899902 APVURQZFHVFDOF-FGZHOGPDSA-N 353.506 5.291 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222997058 KPANCGMACMETNK-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2(c3ccccc3)CCCC2)cc1 224436552 XZMSNVLGRGDTPG-JOCHJYFZSA-N 365.517 5.411 0 40 FKAB Fc1ccc(NC(=S)NCCCSC2CCCCC2)cc1Cl 225590635 CXOPKPREYWOQOU-UHFFFAOYSA-N 360.951 5.222 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C(C)C)cc1 225624400 UKJMFLSMEARDJU-UHFFFAOYSA-N 370.562 5.518 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225826291 VVLLGPLJFCUCRK-KRWDZBQOSA-N 361.404 5.028 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c2cccnc12 225899352 ZYEAEAXNVRAEAY-UHFFFAOYSA-N 370.493 5.092 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccccc1)[C@@H]2O 252448924 ZPIDDLUDNFHGDG-LKIISEMTSA-N 360.497 5.303 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1 408626861 IYXGJCFAGCTWAT-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1cc(C)ccc1C 408832893 QWJABSJHKAYLPM-UHFFFAOYSA-N 364.514 5.940 0 40 FKAB O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1ccc2oc(C3CC3)nc2c1 584906676 AHBKRXKUMYIXPI-PTNGSMBKSA-N 372.346 5.290 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)on2)cc1 1775975862 HBBVBUHHECWQLH-SJORKVTESA-N 352.821 5.046 0 40 FKAB CCOC(=O)c1sc(SCc2ccccc2)c2c1CC(C)(C)CC2=O 1037746 XFYSUPHMJSFOLU-UHFFFAOYSA-N 374.527 5.372 0 40 FKAB Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2ccc(Cl)cc2)cc1 1042049 RUACNTYLMJKLNJ-CYBMUJFWSA-N 359.882 5.178 0 40 FKAB CCN(CC)c1ccc(Nc2ccc(CC(=O)c3ccccc3)cc2)cc1 1671919 ACRQLRWDJMXCIY-UHFFFAOYSA-N 358.485 5.702 0 40 FKAB in-vivo C(=C/c1ccccc1)\CSc1nnc(-c2ccccc2)n1Cc1ccco1 2452837 ZZVUYYJFWFVUHY-DHZHZOJOSA-N 373.481 5.392 0 40 FKAB CC[C@@H](C)c1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3401090 XZNDABRERMAJQY-LSDHHAIUSA-N 370.514 5.426 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c(C)c1 3893838 NYGWNSBCKCLGJO-UHFFFAOYSA-N 369.486 5.038 0 40 FKAB Clc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1 4309648 YXKDJWQNNHHRJR-XLIONFOSSA-N 366.873 5.644 0 40 FKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nc2ccccc2o1 4398620 BQSYHTDFUMBEGE-UHFFFAOYSA-N 370.433 5.488 0 40 FKAB Cc1cc(C)cc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 4664440 NXNYJRGLJXXUIN-DNLWUEFJSA-N 352.305 5.098 0 40 FKAB Cc1nc(SCC(=O)c2c(C)[nH]c3ccccc23)n(C2CCCC2)c1C 5090135 CGFUNGPQEFWBTB-UHFFFAOYSA-N 367.518 5.380 0 40 FKAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459505 UCSZGYGQSUYXCR-IFMALSPDSA-N 357.432 5.630 0 40 FKAB Cc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 5533460 OJAIEVSYMJSDSF-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB Cc1ccc(CSc2nnc(SCc3ccc(C)cc3)s2)cc1 5794288 VZEUOIXGUOKRAK-UHFFFAOYSA-N 358.557 5.740 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2CC)cc1OCC 6258751 JEKVYVCQOSXTRZ-UHFFFAOYSA-N 361.869 5.342 0 40 FKAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1C 6451512 RZRUBKZFWQBJON-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB O=C(c1cccc(Cl)c1)c1ccc(C(F)(F)F)n2c1nc1ccccc12 6550479 QKHURWOLMSBWBM-UHFFFAOYSA-N 374.749 5.391 0 40 FKAB CCCCOc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 6651434 WVDQMTCWCKIMRJ-UHFFFAOYSA-N 360.453 5.812 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccccc1C 7523508 UTZSGTJEEOSSGA-UHFFFAOYSA-N 367.533 5.785 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)c(C)c1 7610196 GRIPVRNNAULLNG-UHFFFAOYSA-N 361.441 5.014 0 40 FKAB CCCCN(C(=O)c1ccc(F)cc1F)c1nc2ccc(C)cc2s1 8343807 AKLFYCCYZUWBRO-UHFFFAOYSA-N 360.429 5.330 0 40 FKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 12062453 ZNNVPWVBEBUXCW-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C)c1 12887185 DUFCJGUKYIRRHC-UHFFFAOYSA-N 364.493 5.313 0 40 FKAB CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13645415 CGTKKWKLZCOQGE-VWNXMTODSA-N 354.453 5.491 0 40 FKAB CN(C)Cc1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cc1 15513611 FBTQMOIRDPGPEI-UHFFFAOYSA-N 374.513 5.032 0 40 FKAB CCCCOc1ccc(NC(=O)c2ccccc2Cl)c2cccnc12 15841062 ZAXYQEWWTVEMBK-UHFFFAOYSA-N 354.837 5.319 0 40 FKAB COc1ccc([C@@H]2C[C@@]23CCC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 15885466 POPRWUSLIHMTDH-HIGZBPRKSA-N 362.469 5.104 0 40 FKAB biogenic Cc1cccc(-c2nn(-c3ccccc3Cl)c(-c3cccc(C)c3)c2C)c1 17076380 BRYRHEFTNJXGTC-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 22628100 UDXOYAYAZLQLPG-UHFFFAOYSA-N 363.852 5.083 0 40 FKAB COc1ccc(/N=c2/scc(-c3cccs3)n2-c2ccccc2)cc1 28629619 KGQPWRIKVBIWBP-QZQOTICOSA-N 364.495 5.508 0 40 FKAB CCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 32666280 IKUIBICRDYYUCC-ICFOKQHNSA-N 373.452 5.297 0 40 FKAB CCCCN1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214642 NUNNEUHLGVLVPZ-GOSISDBHSA-N 361.530 5.170 0 40 FKAB O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2ccc3ncccc3c2)S1 72401115 ARVYRXXNZPPCCF-MFOYZWKCSA-N 367.380 5.231 0 40 FKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(-c2ccccc2)ns1 78792182 QKYLEZRSROSULM-UHFFFAOYSA-N 362.376 5.010 0 40 FKAB CC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(O)c(Cl)c2)S1 79488886 LEOFPQFLFGBJRG-GOSISDBHSA-N 369.877 5.177 0 40 FKAB Cc1noc2c1[C@@H](c1cccs1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102751817 ZXYJJGMUSQXLAA-JLTOFOAXSA-N 362.454 5.652 0 40 FKAB CC1(C)c2ccccc2[C@](C)(C(Cl)(Cl)Cl)c2ccc(Cl)cc21 104074654 KLOARVIYAREIJR-KRWDZBQOSA-N 374.138 6.656 0 40 FKAB COc1ccc(C(OC[C@@H]2C[C@H]3CC[C@@H]2C3)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 104189101 WGBUGNRGCZHCSG-QMVMDQORSA-N 370.533 5.599 0 40 FKAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964499 YRTCTHLACSWYQT-AWEZNQCLSA-N 368.864 5.580 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1CC 408585822 JBMDQSFLKILUSD-UHFFFAOYSA-N 362.267 5.053 0 40 FKAB Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1C 408604635 VUOWFRFJYZJQMH-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c1C 409054654 AVYIUSMGVHURPQ-UHFFFAOYSA-N 361.832 5.228 0 40 FKAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 675315 BJVUIJLDANFJPA-UHFFFAOYSA-N 362.267 5.008 0 40 FKAB Clc1ccc(OCCCCSc2nc3cc(Cl)ccc3[nH]2)cc1 1926948 GXEYPIIJCDMTQT-UHFFFAOYSA-N 367.301 5.821 0 40 FKAB CCC(=O)c1ccccc1OCCCCOc1ccccc1C(=O)CC 3388258 UHBJRWGOUWQXFA-UHFFFAOYSA-N 354.446 5.110 0 40 FKAB O=C(CNc1cccc2ccccc12)Nc1ccccc1Cc1ccccc1 3411364 MTHNFCUUNNPOPV-UHFFFAOYSA-N 366.464 5.481 0 40 FKAB COc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 3470806 NIUFBJKTAGIHPB-UHFFFAOYSA-N 358.485 5.337 0 40 FKAB Cc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3cccs3)=NN2)cc1 4168550 IANBNWZAXZZISN-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB CCCCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 5106963 UYFYRPLCJZHFLF-UHFFFAOYSA-N 372.371 5.092 0 40 FKAB COc1ccc([C@H](CCNCc2ccc(Cl)cc2)CCC(C)C)cc1 5477885 MJWDNTRVQDVXSP-FQEVSTJZSA-N 359.941 6.048 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nc2ccccc2o1 5628830 NEALMXFGEGYTFW-AWEZNQCLSA-N 354.475 5.379 0 40 FKAB Cc1cc(C)cc(C2=N/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)O2)c1 6598645 QVFMAGKRVLKAJT-JCMHNJIXSA-N 369.420 5.440 0 40 FKAB Cc1nc(SCc2nc(-c3ccsc3)no2)c2c(C)c(C)sc2n1 7833085 WDGZFNMJYUKCEK-UHFFFAOYSA-N 374.516 5.020 0 40 FKAB Cc1ccn2c(NC(=O)c3cccc(Cl)c3)c(-c3ccccc3)nc2c1 8559702 FDXNFJOBGNUNFH-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccccc1SCc1ccccc1 10359104 FVDXMGSGYVZFGP-UHFFFAOYSA-N 361.510 6.102 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc4cccnc34)ccc2c1 12567612 KYXQPVIFHYOOJK-HNNXBMFYSA-N 356.425 5.139 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccccc3C)o2)cc1 12875878 ORPMYELDTDWIBJ-QGZVFWFLSA-N 363.457 5.074 0 40 FKAB CC(C)(C)n1c(-c2ccccc2)cs/c1=N\Cc1ccc(Cl)cc1 13400958 RVWQAGXUKUBOIP-QOCHGBHMSA-N 356.922 5.726 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 13708742 XLNNQAQVLQOVRO-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB Fc1ccc(COc2ccccc2CNCc2ccccc2Cl)cc1 16449778 OBNHTYMYMBZURB-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Cc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NN=NN32)cc1 16996448 AASLBRDFAUYYTK-QFIPXVFZSA-N 365.440 5.301 0 40 FKAB Cc1c2c(nc3nc4ccccc4n13)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 20635341 ZUNVBYVGJLBISW-GOSISDBHSA-N 369.468 5.227 0 40 FKAB O=C(Nc1ccccc1)Nc1cccc(-c2noc(-c3ccccc3F)n2)c1 28221710 AIRSQDVCSWRGLY-UHFFFAOYSA-N 374.375 5.187 0 40 FKAB O=C(CSc1ccc(-c2ccncc2)o1)Nc1cccc2ccccc12 28527569 KEDYZOPVCMCRFE-UHFFFAOYSA-N 360.438 5.226 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc4cccnc34)sc2c1 32623219 GRGLOIWPQVXFID-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)N(c1ccccc1)C1CCCCC1 48236427 MWFWGXROSMJEHE-UHFFFAOYSA-N 360.457 5.630 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 71760778 IJBGGGFHRZXSAD-UHFFFAOYSA-N 372.843 6.291 0 40 FKAB O=C(NCc1csc2ccccc12)N1CCC[C@@H]1c1cccc(F)c1 84593138 RNPUXEZIKFJMTH-GOSISDBHSA-N 354.450 5.087 0 40 FKAB C[C@@H](c1ccncc1)N(C)C(=O)/C=C/c1sc2ccccc2c1Cl 84667358 ZZYSUJFHIFKISA-GWJCSSMESA-N 356.878 5.183 0 40 FKAB COc1ccc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1F 95962092 XHOXREILDQZVDX-ZQJOYCHOSA-N 361.265 5.151 0 40 FKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)C1CCCC1 96124422 AZBCDBFFMNGPQB-UHFFFAOYSA-N 364.474 5.077 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1 224924600 PNJOOIOUHRWCJZ-QFIPXVFZSA-N 374.484 5.236 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225567766 IBTXBIMRKQJSAP-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB CCCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC(C)CC1 225669964 NZIAKHJGIJIFOU-UHFFFAOYSA-N 361.526 5.405 0 40 FKAB CN(Cc1ccccc1)C(=O)c1ccc(CSCc2ccccc2)cc1 408785058 FRLNJUZYJUVCNF-UHFFFAOYSA-N 361.510 5.392 0 40 FKAB CCCC[C@H](CC)C(=O)c1ccc(Br)c(C(F)(F)F)c1 575362588 BNCMFZZGHWTCCG-JTQLQIEISA-N 351.206 5.867 0 40 FKAB Clc1cccc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1 1398823 AYRSAAWZKZRUTO-UHFFFAOYSA-N 373.890 5.535 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 1509338 AZGKMMOJKXEUDO-UHFFFAOYSA-N 364.470 5.388 0 40 FKAB CCn1c(NC(=O)C2CCCCC2)c(-c2ccccc2)c(=O)c2ccccc21 2354105 BRHXRMMPYZLZFC-UHFFFAOYSA-N 374.484 5.207 0 40 FKAB CCc1nc(SCC(=O)c2ccc(F)cc2)c2oc3ccccc3c2n1 2449471 BIFOGDGANJLZOU-UHFFFAOYSA-N 366.417 5.053 0 40 FKAB c1ccc(-c2ccc([C@@H]3C[C@H](c4cccs4)n4ncnc4N3)cc2)cc1 2500011 UZHQQAPURLTEFW-RBUKOAKNSA-N 358.470 5.153 0 40 FKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 3128593 HYDICHAMIHRGBH-UHFFFAOYSA-N 360.693 5.169 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccccc3C)n2c1 3911575 UTHFGGGJSGRAFL-UHFFFAOYSA-N 353.878 6.077 0 40 FKAB C[C@@H](Cc1ccccc1)NCCCCCCCN[C@@H](C)Cc1ccccc1 4697263 LOLIBHMZYDZYHF-GOTSBHOMSA-N 366.593 5.379 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 5262182 HWTKMGKGCUGHDO-SFHVURJKSA-N 374.553 6.525 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)CCC3CCCCC3)n2)cc1 5904359 OEASDGDBBHXQOE-UHFFFAOYSA-N 370.562 6.407 0 40 FKAB COc1cccc(COC(=O)/C(=C/c2cccs2)c2cccs2)c1 6083007 SOPAAXIZAPMCAW-SFQUDFHCSA-N 356.468 5.102 0 40 FKAB O=C(Nc1ncccc1OCc1ccccc1)c1ccc2ccccc2c1 6257918 QJNBAXWESKTWFR-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1ccc(Cl)cc1 6284140 RJEOVIWIJIBIEA-UHFFFAOYSA-N 363.888 5.221 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 7847285 PLDDYVBEQLRIMX-UHFFFAOYSA-N 353.421 5.746 0 40 FKAB Cc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10692102 KHCFBVCKURFSHN-OAQYLSRUSA-N 354.453 5.038 0 40 FKAB Cc1cc2oc(=O)cc(-c3oc4ccc(Cl)cc4c3C)c2cc1Cl 11869908 FHTURVNMZDYEDF-UHFFFAOYSA-N 359.208 6.130 0 40 FKAB biogenic O=C(CCSCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 13688186 UZPSDJCGTVXDDF-UHFFFAOYSA-N 374.720 5.909 0 40 FKAB CC[C@]1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 13805930 SWRZFJRLMFYCTM-MJGOQNOKSA-N 371.278 5.119 0 40 FKAB Clc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 13940844 KSWZSCIQBZLDEA-GYHWCHFESA-N 371.827 5.862 0 40 FKAB C[C@H]1CCc2c(sc3c2[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15085198 NLMOBQMMOIAEES-IINYFYTJSA-N 365.420 5.366 0 40 FKAB CCOc1cc2c(cc1/C=C/c1nc3cc(Cl)ccc3o1)O[C@H](C)C2 15352359 VWQCXMGTLGZXSS-RPTYSRGTSA-N 355.821 5.374 0 40 FKAB CC[C@@H](CNc1cccc(OCC(C)C)c1)Oc1ccccc1[C@H](C)CC 19738313 OEXTVLGJKMOKSN-CTNGQTDRSA-N 369.549 6.504 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2cccc3ccccc23)c1 32611287 OMPIDRLZTAWBNU-GOSISDBHSA-N 361.485 5.528 0 40 FKAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccc3c(c2)CCCC3)on1 32623754 QKCYHGKCIOBKFH-UHFFFAOYSA-N 369.424 5.021 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCSCc2ccccc2)cc1 44849867 UTFKLATWGRKCLT-OAQYLSRUSA-N 371.546 5.222 0 40 FKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1ccsc1 61997216 ICRSMCQSVIZAQJ-UHFFFAOYSA-N 365.385 5.117 0 40 FKAB C[C@@H](N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 94986219 OHYNAAXWPNIVOJ-VXGBXAGGSA-N 361.329 6.136 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@H]1[C@H]2C 106898016 VBWAQBZDGGCZAO-AABFTTDASA-N 363.542 5.079 0 40 FKAB biogenic COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 136023774 SOLFGTIEYURABM-RDCQKDKRSA-N 361.557 5.467 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NC(c1ccccc1)c1ccccc1 222961724 QUBWTXSXMBZRJS-QFIPXVFZSA-N 373.496 5.367 0 40 FKAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Sc1ccc(Cl)cc1 225095104 CTIQUTTXRLGEOP-CQSZACIVSA-N 360.784 5.147 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccccc3OC)ccc21 225768448 ZVCGDIOGGJTCEQ-UHFFFAOYSA-N 359.429 5.467 0 40 FKAB CCCCOc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787209 ULMYUOGQDBWPKE-UHFFFAOYSA-N 364.283 5.131 0 40 FKAB CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c2ccccc12)C1CC1 225837236 RGJCWAALLQUZFQ-JOCHJYFZSA-N 355.478 5.018 0 40 FKAB FC(F)(F)c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225859223 UYUHZUAQZKYJCX-UHFFFAOYSA-N 364.436 5.461 0 40 FKAB Cc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408617144 BVCKDCMWZNHFDK-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB Cc1cc(C)c2nc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)sc2c1 1775977962 YYKYKZYQFOCJRF-GJZGRUSLSA-N 356.878 5.309 0 40 FKAB CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)c3cccs3)c2)OCC1(C)C 1080150 FVFSYBBDHHGEMH-PKOBYXMFSA-N 359.491 5.097 0 40 FKAB CCOc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 1268410 WGLVLLASHFASLY-RUDMXATFSA-N 366.244 5.053 0 40 FKAB Cc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1C 1770435 YHDNNECDYNJBEG-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)c1 2081530 DAZVMAOXOPDHHB-UHFFFAOYSA-N 371.502 5.143 0 40 FKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NC1CCCCC1 2177020 MRSIDEFCZJCKAG-WXPCENJTSA-N 373.540 5.759 0 40 FKAB Cc1ccc(C2=NCSC(N(c3ccccc3)c3ccccc3)=N2)cc1 2659417 JZMVUHHVHDTNFY-UHFFFAOYSA-N 357.482 5.640 0 40 FKAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1-c1nn2c(C)nnc2s1 2685703 SXODSFZNBOSUOI-UHFFFAOYSA-N 365.245 5.036 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21 2737557 ISEDTOPZIFVYGK-UHFFFAOYSA-N 369.342 5.582 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Cc2cccs2)cc1 3282709 NBGSCSACTDYNDD-UHFFFAOYSA-N 350.487 5.476 0 40 FKAB COc1cccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)c1 3470796 HGXUJTRVTZEXSS-UHFFFAOYSA-N 358.485 5.337 0 40 FKAB biogenic Cc1c(OCc2c(F)cccc2Cl)ccc2c3c(c(=O)oc12)CCCC3 4158953 JOUGMXXGPOQRGV-UHFFFAOYSA-N 372.823 5.352 0 40 FKAB CC1(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CCOC(=O)Nc1ccccc1 4673308 XEMYEKIWQRPWRD-TWRVUUBYSA-N 373.537 5.619 0 40 FKAB CCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C 4683299 IOVNHINTOHPELQ-UHFFFAOYSA-N 362.510 5.797 0 40 FKAB COc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc(C)ccc3c21 4970076 XMUYOHZVRBQYFS-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB CN(C)CCNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523621 CGVWBBIXLVWOKZ-UHFFFAOYSA-N 370.458 5.160 0 40 FKAB COc1cccc(OCCCCCCN2CCCC[C@@H]2c2cccnc2)c1 6624319 NFDQBOHSSBVHTG-HSZRJFAPSA-N 368.521 5.257 0 40 FKAB biogenic Cc1ccc([C@H](CCNc2nccs2)c2ccc(OC(C)C)cc2)cc1 6760287 QPWHTUVZQKESFX-NRFANRHFSA-N 366.530 5.873 0 40 FKAB COc1cc(/C=C/C(=O)Nc2cccc3ccccc23)ccc1OC(F)F 6887061 HMAUOXQHODIBIG-ZRDIBKRKSA-N 369.367 5.102 0 40 FKAB CC[C@]12CCC3=C(C1=CC[C@H]2OC(C)=O)[C@H](C)Cc1cc(OC)ccc13 6934535 GIYSITPKERYJBK-NZCIYTFRSA-N 352.474 5.093 0 40 FKAB C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 7687311 UOORBNVXDIDOGQ-MRXNPFEDSA-N 365.860 5.410 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7700264 GTVZGHBCJXPQEU-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Clc1cccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)c1 9638100 VIHXPRCVZZKGPA-UHFFFAOYSA-N 372.815 5.600 0 40 FKAB FC(F)Oc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)o1 11003367 VYAHFYNWOSQUCR-UHFFFAOYSA-N 373.384 5.112 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 14398661 UVALXJNBTWRYIT-LLVKDONJSA-N 372.679 5.670 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(C2CCCCC2)s1 17045966 YUUXGOYQXMRUMU-UHFFFAOYSA-N 371.293 5.537 0 40 FKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@@H](C(=O)O)c3ccccc3)c2c1 19911638 CMZFMOKRNSWWPW-JHZJBCQPSA-N 369.420 5.135 0 40 FKAB CC[C@]1(C)C(Nc2c(C)cccc2C)=NC(=S)N1c1ccccc1OC 23002834 DGFUOCOIZDBUQG-OAQYLSRUSA-N 367.518 5.096 0 40 FKAB O=C(CCc1cccs1)Nc1ccccc1Oc1ccccc1Cl 30061029 ZFDJIYMHHKZYEC-UHFFFAOYSA-N 357.862 5.765 0 40 FKAB COc1ccc(-c2nc(CSCc3cc(-c4ccco4)on3)co2)cc1 31433074 VFJJNLJWELLVQA-UHFFFAOYSA-N 368.414 5.032 0 40 FKAB N=C1CSC2=NC3=C(CCC/C3=C/c3ccccc3)[C@@H](c3ccccc3)N12 31841158 ZFMXFZRSVPPFHE-GRHNRDKSSA-N 371.509 5.645 0 40 FKAB COc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2C)cc1 35167025 OSWFZGMKMPCFAX-UHFFFAOYSA-N 365.285 6.178 0 40 FKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 72214878 LJKUOEHHRQLDFT-GOSISDBHSA-N 361.530 5.167 0 40 FKAB Nc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)c(Br)c1 73639337 VPGDFTAKAFRSNK-UHFFFAOYSA-N 365.230 5.507 0 40 FKAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 101220579 YQZRUXTVMXMGLO-IRLDBZIGSA-N 373.431 5.330 0 40 FKAB CC[C@@]1(C)C[C@@](CCN[C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 102760626 FRRPVDBEADNXFW-QMMLZNLJSA-N 351.962 6.002 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2cccc(O)c2)c2ccccc21 103960211 SWLZYQSVNAPVMM-JOCHJYFZSA-N 357.434 5.643 0 40 FKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(F)cc1 214227705 XANQVIFSNICRKF-XDHOZWIPSA-N 363.413 5.215 0 40 FKAB COc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 223988804 BIXXUNXSLHPBAT-UHFFFAOYSA-N 373.496 5.165 0 40 FKAB CC[C@H](F)CCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 230636524 KEFSMRMUICTKBX-SFHVURJKSA-N 373.471 6.472 0 40 FKAB in-vitro CCc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1 409096797 LBHBHKUKRBDGTC-UHFFFAOYSA-N 372.497 5.184 0 40 FKAB CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(OCC)c1 409115600 SHCQMHHAPYGNGH-MOSHPQCFSA-N 365.473 5.027 0 40 FKAB CSc1nc(Cl)c(Cc2ccc(OCC(C)C)cc2)c(Cl)n1 674486 QMHFVFSFOUAPGV-UHFFFAOYSA-N 357.306 5.131 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 711046 NMLDMJRWJYCYGL-ZYHUDNBSSA-N 352.183 5.235 0 40 FKAB O=C(NC1CCCCCC1)c1cc2sccc2n1Cc1ccc(F)cc1 1324381 XMHMMAVNGKJIGD-UHFFFAOYSA-N 370.493 5.343 0 40 FKAB Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Br)cc1 1512733 VRZZLPBIFAFHSX-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB c1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 1752824 FGLPAVADAXUNOB-UHFFFAOYSA-N 371.483 7.478 0 40 FKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1Cl 1778878 GRJPTMRHXDVYLG-MRXNPFEDSA-N 366.844 5.518 0 40 FKAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1Cl 2195226 AHCSVCGXBBZUNL-UHFFFAOYSA-N 374.827 5.212 0 40 FKAB Clc1ccc(CSc2ncnc3c2oc2ccccc23)cc1Cl 2722820 LDBQIGYGBJALKR-UHFFFAOYSA-N 361.253 5.975 0 40 FKAB CCc1c(C)sc2ncn3nc([C@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c12 2808947 WBCZDSQWXDWWLV-CABCVRRESA-N 368.893 5.134 0 40 FKAB Cc1cccc(NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)c1 3084855 OWKRULNUURTVER-QHCPKHFHSA-N 355.481 5.557 0 40 FKAB Cc1cccc(OP(=O)(Nc2cccc(F)c2)Oc2cccc(C)c2)c1 3123436 OMHWRJOQUUVUDL-UHFFFAOYSA-N 371.348 6.121 0 40 FKAB O=c1[nH]c(CSc2ccc(F)cc2)nc2scc(-c3ccccc3)c12 3314507 PBQDSDIIBZXNMA-UHFFFAOYSA-N 368.458 5.083 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 3375580 UQTOSGKPUIUYMF-ZHACJKMWSA-N 362.410 5.315 0 40 FKAB CC(=O)c1oc2ccccc2c1NC(=O)Cc1c(Cl)cccc1Cl 3437964 WPZHLHLBAWTVLA-UHFFFAOYSA-N 362.212 5.123 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(OC)cc2)nc2cnccn12 3896547 AECFYSOTUGWGBA-UHFFFAOYSA-N 358.445 5.019 0 40 FKAB Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(F)cc1)C(C)(C)N2 4046815 ZVTQIMUYXGLCAN-QOCHGBHMSA-N 370.518 6.126 0 40 FKAB Clc1ccc(Cl)c(-c2ccc(/C=C/c3nc4ccccc4s3)o2)c1 4086364 VQJKHJRFSUZEFL-JXMROGBWSA-N 372.276 7.034 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)C(c1ccccc1)c1ccccc1 4705272 WJBDAEJJJANBLN-UHFFFAOYSA-N 362.429 5.206 0 40 FKAB Cc1cc(NC(=O)c2ccco2)cc(-c2nc3cc(Cl)ccc3o2)c1O 4988484 IEXUOSTYUAMITL-UHFFFAOYSA-N 368.776 5.008 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2c1 5531945 WZRFVDIDMZYSAD-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CSC(c1ccccc1)c1ccccc1 5936918 SMMHNGFXMAOBMA-UHFFFAOYSA-N 371.505 6.182 0 40 FKAB Clc1ccc(-c2csc(SCc3nc4ccccc4[nH]3)n2)cc1 6025742 DMCLMQZCFSPSOE-UHFFFAOYSA-N 357.891 5.632 0 40 FKAB O=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)c2ccccc21 6495716 VDMCLHQVARQKBG-UHFFFAOYSA-N 374.823 5.382 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)cc1 7558045 KMMDTDDZJQZRBM-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB Cc1ccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1C 9724540 JIOFZQQYAISXIV-CQSZACIVSA-N 358.894 5.095 0 40 FKAB Cc1ccc(SCCCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10217868 CENIPLMKOMUQNO-UHFFFAOYSA-N 369.515 5.025 0 40 FKAB Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)ccc1Br 10335482 ALXJVYAGCPLLDG-UHFFFAOYSA-N 374.322 5.626 0 40 FKAB Cc1ccc(OP(=O)(Nc2ccccn2)Oc2ccc(C)cc2)cc1 12561125 YGWSCKOJKGLVRO-UHFFFAOYSA-N 354.346 5.376 0 40 FKAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccs1 12758082 JXVZFNAHXDXASV-DNVCBOLYSA-N 353.512 5.459 0 40 FKAB Fc1ccc(-c2nnc(CSCc3ccccc3C(F)(F)F)o2)cc1 12852421 MZAZJJCZSSTXHO-UHFFFAOYSA-N 368.355 5.328 0 40 FKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1 12877523 AOFYHAYYEJODKP-UHFFFAOYSA-N 350.487 5.225 0 40 FKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1nccs1 16641460 DIBAPLDLJIMZOS-UHFFFAOYSA-N 365.433 5.002 0 40 FKAB Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 17026453 BNDTWIXGABOKCI-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 20107649 FNJOOIYQHIJEGG-MOPGFXCFSA-N 359.922 5.405 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20460953 TWZRDBXIBBARNY-VWNXMTODSA-N 373.496 5.367 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(OC)cc3)ccc21 20495530 OZNVLFVZGYZTGE-UHFFFAOYSA-N 372.468 5.394 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(F)c(F)c3F)ccc21 22250877 GFCSYFUZFVCZMU-UHFFFAOYSA-N 368.358 5.484 0 40 FKAB O=C(Nc1ccc(F)cc1)c1scc(-c2ccccc2)c1-n1cccc1 64472449 UUNUKMWQEMBIJC-UHFFFAOYSA-N 362.429 5.597 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 75282828 KGTSHLZWAREJFZ-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB O=C(CCSc1ccccc1)N(CCc1cccs1)Cc1ccco1 77183928 HSUJJHINYXBGAI-UHFFFAOYSA-N 371.527 5.095 0 40 FKAB O=C(CCSCc1ccccc1)Nc1ccc(OC2CCCC2)cc1 218997267 MQFSOSIVEJIYOA-UHFFFAOYSA-N 355.503 5.270 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969621 BEZWOFIORYCWAL-FOIQADDNSA-N 371.908 5.254 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222996804 AKXNMOPWBYZDGB-GCJKJVERSA-N 365.517 5.217 0 40 FKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1 224359550 UTPUQCWLRWKUJM-UHFFFAOYSA-N 367.489 5.117 0 40 FKAB Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5s4)c3)sc2c1 226237260 BNHFVZJNCQWMEO-UHFFFAOYSA-N 372.518 6.857 0 40 FKAB O=C(Nc1ccccc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443649 XNIFRBZQYLMYBF-UHFFFAOYSA-N 369.428 5.451 0 40 FKAB CC(C)CCC[C@]1(C)Oc2ccc(CC(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265527 GTSLHQWOTIHRKK-ALALXSPKSA-N 360.494 5.147 0 40 FKAB CN(C)c1ccc([C@H]2[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 701872 YEQWUTURGFFZLM-NJYVYQBISA-N 365.860 5.379 0 40 FKAB CC(C)Oc1ccc([C@H](CC(=O)Nc2nccs2)c2ccccc2)cc1 1306011 WQEZBZVPLHKSKN-LJQANCHMSA-N 366.486 5.091 0 40 FKAB Cc1nn2c(NCC(C)C)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 2209569 YHTLFDVGXNLEBK-UHFFFAOYSA-N 370.928 5.724 0 40 FKAB CCC[C@H]1C[C@H](c2nc(-c3ccc(Br)cc3)cs2)CCO1 2239686 LKRYDJIMQIOOJR-HIFRSBDPSA-N 366.324 5.635 0 40 FKAB Cc1ccc(NC(=O)[C@H](Sc2nc3ccccc3o2)c2ccccc2)cc1 3347586 IQHDLYRZNZIKLO-HXUWFJFHSA-N 374.465 5.608 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 3359654 VYHYRPVJXWJIIY-ZDUSSCGKSA-N 356.516 5.541 0 40 FKAB O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(Cl)cc1Cl 4188027 KXFQPFRODNRZRE-FPYGCLRLSA-N 372.045 5.375 0 40 FKAB Cn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 4286969 YEVXBLKHDJCKOY-UHFFFAOYSA-N 372.906 5.038 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 4554851 GIPYQVBCMTZNSK-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)c2ccccc2)cc1 4694573 YBUMINHTXFMVML-UHFFFAOYSA-N 373.496 5.463 0 40 FKAB Cc1cccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 5091031 ANWUNNZCHBBOQE-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB Cc1ccc(Oc2ncccc2C(=O)Nc2cccc3cccnc23)c(C)c1 5212414 JBRRSUOBCOFXKA-UHFFFAOYSA-N 369.424 5.291 0 40 FKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccccn1 5524616 VPKQZRNAUKQLOH-UHFFFAOYSA-N 371.490 5.890 0 40 FKAB Cc1ccc(NC(=O)[C@@H](Sc2nc(C)cs2)c2ccccc2)cc1 7777388 PWBUSDWBFRPUFJ-KRWDZBQOSA-N 354.500 5.232 0 40 FKAB Cc1cccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 10542818 OOXVPSFUNNOOEM-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB COc1cccc2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)oc12 20485452 HJZPGLKFQCVCIX-QFIPXVFZSA-N 371.436 5.269 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 23010962 FKKUPSABDSKDKX-UHFFFAOYSA-N 365.820 5.236 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)ccc2c1 32740949 ZNTIXYDOCSYPIR-CVEARBPZSA-N 373.452 5.576 0 40 FKAB C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1 36814385 CAFIGMWPPRTBJK-AWEZNQCLSA-N 354.500 5.071 0 40 FKAB Cc1ccc(CSc2nccn3nc(-c4cc(C)ccc4C)cc23)cc1 38486621 VXPLZOCVVJMEFW-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB CC1=C(C)[C@@H](C)[C@@]2(C)N(c3ccc(Br)cc3)N=N[C@]2(C)[C@@H]1C 45070107 AEIGMGYOVQMLSX-DTTOXWODSA-N 362.315 5.776 0 40 FKAB CC(C)CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215446 AGHLVHDRAJMNKN-IBGZPJMESA-N 373.541 5.169 0 40 FKAB CC(C)c1cnc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)o1 89893512 UTSMQQVVDLMUPE-UHFFFAOYSA-N 350.384 5.106 0 40 FKAB FC(F)(F)SC[C@H](Cc1ccccc1)NCc1cccc(Cl)c1 95918354 PAYQRGUWYAKEDR-INIZCTEOSA-N 359.844 5.294 0 40 FKAB COC[C@@H]1[C@@H](COC)[C@@H]2CC[C@@H]1C2(Cc1ccccc1)Cc1ccccc1 104068296 UMROHYYIRSCRMU-LWSSLDFYSA-N 364.529 5.023 0 40 FKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 214173568 NUBOEUCBDFLSSS-AQHRCUNFSA-N 355.846 5.133 0 40 FKAB COc1ccc(C(=O)NC(C)(C)C)cc1CSc1ccc(Cl)cc1 224344856 APRBRSAKXOBUBG-UHFFFAOYSA-N 363.910 5.169 0 40 FKAB CCOc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 409116542 VLGXXBBLTUHZCV-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cccc(C)c2)s1 1345429 RTFKRAGMMYLLCB-UHFFFAOYSA-N 371.893 5.224 0 40 FKAB O=C1O/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc21 1391260 WLAGAQFXOMWHNY-ZDLGFXPLSA-N 357.192 5.922 0 40 FKAB O=C(N[C@@H](c1ccccc1)C1CCCC1)C(c1ccccc1)c1ccccc1 2216403 WVPNPILUAUNBDT-VWLOTQADSA-N 369.508 5.866 0 40 FKAB COc1ccc(C(=O)CCCCCCCC(=O)c2ccc(OC)cc2)cc1 3068332 LHJGIELKBCLXNG-UHFFFAOYSA-N 368.473 5.500 0 40 FKAB Clc1ccc(-c2nc3sc4ccccc4n3c2Cl)cc1Cl 4053863 NYUZHNALESTYCT-UHFFFAOYSA-N 353.661 6.176 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 4544129 MCJLUPCTSXMLKU-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB O=C(Nc1ccccc1)OCCCCCCCOC(=O)Nc1ccccc1 4551071 ZKJKVDRCZHNUTD-UHFFFAOYSA-N 370.449 5.434 0 40 FKAB Oc1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 5025886 XBRORZXUXLMORZ-UHFFFAOYSA-N 374.054 6.063 0 40 FKAB COc1cccc2cc([C@]3(c4ccccc4)OC(=O)c4ccccc43)ccc12 6485082 CPOVGBVYSSJWMP-VWLOTQADSA-N 366.416 5.311 0 40 FKAB Cn1c(=O)c2c(-c3ccccn3)c(Nc3ccccc3)oc2c2ccccc21 6662639 YCIBSWRSHTXGRQ-UHFFFAOYSA-N 367.408 5.090 0 40 FKAB O=C(NC1CC1)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 6988701 CHKAAARNJBNGTQ-MRXNPFEDSA-N 374.918 5.062 0 40 FKAB Clc1ccccc1COc1cccc(CNC2CCCCCCC2)c1 7523334 BKZCSMAEUFULSB-UHFFFAOYSA-N 357.925 6.122 0 40 FKAB CCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(Cl)c1O 8321250 QOTKIKYUEZFEBK-ZZXKWVIFSA-N 350.201 5.409 0 40 FKAB CCOc1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 8906045 YLWDASJSVVPPDG-UHFFFAOYSA-N 353.462 5.151 0 40 FKAB Cc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 13483192 QVEBUSGMCLWBTC-UHFFFAOYSA-N 358.292 5.052 0 40 FKAB CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN12 13616516 IHAVNXPAJQLGBW-QUCCMNQESA-N 356.853 5.018 0 40 FKAB Cc1ccc(S(=O)(=O)/C=C(\C=C/c2ccccc2)c2ccccc2)cc1 16955526 QQDNIDJIUIOMIN-DRFYVQGDSA-N 360.478 5.523 0 40 FKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1 17075000 KMGCHGNWISYQIM-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccs2)cc1 21352043 CMSYBTWLSLOVAF-UHFFFAOYSA-N 373.861 5.384 0 40 FKAB O=C(Nc1ccccc1OC(F)F)c1ccc(-c2ccc(Cl)cc2)o1 22399268 XMEYZFZDVGKDHD-UHFFFAOYSA-N 363.747 5.454 0 40 FKAB Cc1ccc(-c2c(C)nn3c(Nc4cccc(Cl)c4)cc(C)nc23)cc1 27585780 KVCJPYHXRCVUHL-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB CCc1ccc2[nH]c(=O)c(CNc3cc(C(C)C)c(OC)cc3C)cc2c1 57710041 YOJXAFXKRSHCHI-UHFFFAOYSA-N 364.489 5.143 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 222895119 FTVWNWLNBXYHRR-QGZVFWFLSA-N 351.490 5.314 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(C)cc1 224120624 HFSNCOAAIAKNRD-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1cccc([C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2)c1 225633396 QMRBVAVNOGNEHP-XMMPIXPASA-N 355.481 5.393 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 225719424 FHZDLKHXZCQKCN-ZDUSSCGKSA-N 365.901 5.152 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2ccccc2C(=O)O)cc1 257241442 HYAYJWBWFHRLCX-IBGZPJMESA-N 367.445 5.124 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F 408585428 DMCNJXMDNHUDCP-UHFFFAOYSA-N 357.759 5.400 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1 409121371 WLZWYRBQTUNTQH-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CCOc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 409121434 WXEGHYIVMABRMB-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c(C)c1 586564612 LFIFYXRWYRNVDQ-UHFFFAOYSA-N 357.478 6.437 0 40 FKAB CC1(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)CCCCC1 1615157639 LMTXJBMGKAOCQD-XLIONFOSSA-N 372.528 5.002 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)on2)cc1 1775975861 HBBVBUHHECWQLH-IRXDYDNUSA-N 352.821 5.046 0 40 FKAB CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)n1[B-]2(F)F 2362804926 SXFJXSDCLYMRGZ-UHFFFAOYSA-N 366.264 5.459 0 40 FKAB O=C(C[C@@H](c1ccccc1)[C@@H]1CCCC1=O)c1ccc(Br)cc1 639173 KMLJRYCKWBCLJW-ROUUACIJSA-N 371.274 5.175 0 40 FKAB CN(C)C(=O)c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl 722182 VUNTWKUEROCHGO-UHFFFAOYSA-N 360.693 5.500 0 40 FKAB c1ccc(C(Sc2nnc3sc4ccccc4n23)c2ccccc2)cc1 2087642 OOGJZDUIPVAOKJ-UHFFFAOYSA-N 373.506 5.826 0 40 FKAB CCCCn1nc(NC(=O)c2ccccc2C)c2cc3cccc(C)c3nc21 2418573 WERFDJQKOJKRJP-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1 3204517 UBPQPJNPCQSWHI-UHFFFAOYSA-N 361.514 6.042 0 40 FKAB Cc1c(OCc2cccc(Cl)c2)ccc2c3c(c(=O)oc12)CCCC3 3210294 HUQRGAZPMUOWEZ-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1C 3279417 WQVUGOURPYOSSB-UHFFFAOYSA-N 361.441 5.014 0 40 FKAB CCSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 3297986 WVLNRHAIBSWKNN-UHFFFAOYSA-N 374.465 5.290 0 40 FKAB CC[C@@H](C)c1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3401073 XZNDABRERMAJQY-HUUCEWRRSA-N 370.514 5.426 0 40 FKAB Cc1cc(C)c(C(=O)COc2ccc(Cl)cc2Br)cc1C 3437287 IMXBXHLFUMWDMM-UHFFFAOYSA-N 367.670 5.289 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccc(Cl)cc2)(c2ccccc2)CCO1 4872080 ADNCXHJRTIMDFL-XZOQPEGZSA-N 371.952 5.737 0 40 FKAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2cccc3ccccc23)n1 8916187 HNWJKXWCCIRMGI-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB Clc1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)c(Cl)c1 9197944 XLQVIZQCHBJQOU-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1C 10119991 LHLNQWFUGHTIKH-UHFFFAOYSA-N 356.425 5.288 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 12438414 LWLNKFVUOFWRQO-RZUBCFFCSA-N 371.883 5.581 0 40 FKAB Cc1nc2cc(NC(=O)c3ccc(SC(F)(F)F)cc3)ccc2o1 12933275 AZPHJOCJIDGQTC-UHFFFAOYSA-N 352.337 5.000 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 13656709 QUKWEGYBVDQTAW-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccncc1 14625068 IKRDGPHRKYBVGR-UHFFFAOYSA-N 369.496 5.247 0 40 FKAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)c1 17073709 WCCDVLNQGNBSEO-UHFFFAOYSA-N 356.516 5.077 0 40 FKAB CC[C@H](C)Oc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1 19738194 BDWUTIBSDJZDLJ-IBGZPJMESA-N 361.485 6.055 0 40 FKAB COc1ccc(N(C2=NCCCC2)[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 26506828 PNMVMMZCBWZECF-HNNXBMFYSA-N 370.880 5.009 0 40 FKAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C 26793324 FSUCYHXFQXZEQJ-HSZRJFAPSA-N 368.521 5.395 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 27974961 CNSJQRYQCGCVGP-CQSZACIVSA-N 367.832 5.103 0 40 FKAB CCc1ccc(-c2csc(NC(=O)C(CC)CC)c2C(=O)OC)cc1 28284516 FPGKSURKYIPGMQ-UHFFFAOYSA-N 359.491 5.139 0 40 FKAB c1cnc2c(Oc3nc4ccccc4nc3N3CCCCCC3)cccc2c1 45900771 XLSJPOKHNDJZNP-UHFFFAOYSA-N 370.456 5.351 0 40 FKAB CCc1ccc(Nc2nn(CN(C)Cc3ccccc3)c(=S)s2)cc1 57442685 WMWZMIGEZVASBI-UHFFFAOYSA-N 370.547 5.070 0 40 FKAB Cc1ccc2cc(CNc3ccc(Oc4ccccc4)cc3)c(=O)[nH]c2c1 57709987 MCXWHAMQTPOSGT-UHFFFAOYSA-N 356.425 5.241 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 64658610 KAPXNBJZNMVAPR-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72215115 GPXIWYQIHNNMMD-AEFFLSMTSA-N 361.530 5.167 0 40 FKAB Cc1[nH]c(-c2ccc(-c3ccc(C(C)(C)C)cc3)o2)nc1-c1ccccc1 95468346 JAAVGUJWTFTJIL-UHFFFAOYSA-N 356.469 6.610 0 40 FKAB Cc1cnc([C@@H](NCc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1 95961936 ORIMVUTWWMXYLA-IBGZPJMESA-N 356.466 5.400 0 40 FKAB Clc1cccc(CN[C@H]2CC[C@H](NCc3cccc(Cl)c3)CC2)c1 100173879 LLOHHUTUYLQXSO-BGYRXZFFSA-N 363.332 5.184 0 40 FKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 196945314 PDSOTZZWMVTHLQ-FQEVSTJZSA-N 350.801 5.121 0 40 FKAB CC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C)cc1C 222801954 XICPSKIYHAGPMH-HXUWFJFHSA-N 353.506 5.247 0 40 FKAB CC[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccc2c(c1)CCCC2 223125579 GPKDKGCGYJMYDU-JOCHJYFZSA-N 367.558 5.375 0 40 FKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COCC(C)C 224742984 KZAXRYPLEUDZRN-UHFFFAOYSA-N 361.526 5.101 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 225362764 MSRSBWYWTOCUKB-SFHVURJKSA-N 353.506 5.956 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225468099 KLTKDULDFWPXTG-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB O=C(Nc1ccc2nc(-c3cccc4ccccc34)oc2c1)C(F)(F)F 226269733 UMLNUPVSYHFHFI-UHFFFAOYSA-N 356.303 5.149 0 40 FKAB CC(C)[C@H]1COC(c2cccc(C(c3ccccc3)c3ccccc3)n2)=N1 1988181053 DTMJIFNAEKBYQS-JOCHJYFZSA-N 356.469 5.063 0 40 FKAB c1ccc(-c2nnc(Sc3nc4ccccc4[nH]3)c3ccccc23)cc1 716616 ZOEVPDGWMIXIRF-UHFFFAOYSA-N 354.438 5.324 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 840792 CODCKVRNAUWJIH-SECBINFHSA-N 360.693 5.766 0 40 FKAB Cc1cccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c1C 1064320 UAYSQJFVCBYQOC-KKJDJVAASA-N 367.492 5.785 0 40 FKAB Cc1c(C(C)(C)c2ccccc2)[nH]c2ccc(C(C)(C)c3ccccc3)cc12 1691955 QGCKKHVGKYNLBK-UHFFFAOYSA-N 367.536 7.128 0 40 FKAB c1ccc(-c2ccc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)cc2)cc1 1754522 DBPUPDTZDSJYLJ-UHFFFAOYSA-N 372.471 6.873 0 40 FKAB CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1834748 LZZSCBGCZLRAEC-UHFFFAOYSA-N 363.511 5.507 0 40 FKAB Cc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1C 3058326 REYJZSZTFAAGFA-WLXPTCNVSA-N 353.465 5.539 0 40 FKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 3216463 YAVBDPJHHKTSFY-UHFFFAOYSA-N 373.452 5.074 0 40 FKAB CCOc1ccc2nc(NCCc3ccc(Cl)cc3Cl)sc2c1 3354351 DUFGCSRJFUKWBD-UHFFFAOYSA-N 367.301 5.656 0 40 FKAB CC(C)c1ccc(O[P@@](C)(=O)Nc2ccc(Cl)cc2Cl)cc1 4119560 SRSQEZXHZNUIMK-JOCHJYFZSA-N 358.205 6.431 0 40 FKAB Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)c2ccccc2)c1C 4953228 TXHOHPKZMSMMAL-UHFFFAOYSA-N 369.873 5.502 0 40 FKAB c1ccc(-c2nc(Sc3nc4ccccc4s3)c3ccccc3n2)cc1 5010057 PHJQTGWNKWCITI-UHFFFAOYSA-N 371.490 6.058 0 40 FKAB Cc1cccc(-c2c(NC(=O)c3ccccc3)oc3c(C)cccc3c2=O)c1 5030915 VVWNUCVQVHPYRI-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB CCOc1cccc2c1O[C@H](CC(C)C)N1N=C(c3ccc(C)cc3)C[C@H]21 5163159 HTHDHZCXTBKIRS-IFMALSPDSA-N 364.489 5.309 0 40 FKAB O=C(NC1CCCCCCC1)c1ccccc1Nc1ccc2ccccc2c1 5590396 KCJOZYRHZRSYPR-UHFFFAOYSA-N 372.512 6.426 0 40 FKAB CCCCCNc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 6310125 UPBSWHJFBKBOQN-UWJYYQICSA-N 370.566 5.719 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCC 6593378 DVUBCPXUURUZDK-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 6949732 MLPKLPIHSWOANJ-UHFFFAOYSA-N 351.277 5.088 0 40 FKAB COc1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1 7538649 TWLBFXOXCZUWFW-UHFFFAOYSA-N 372.262 5.008 0 40 FKAB O=C(CCC1CCCCC1)Nc1nc(SCc2ccccc2)ns1 12376572 LTSLBEIHEJKTNB-UHFFFAOYSA-N 361.536 5.129 0 40 FKAB O=C(Nc1ccccc1SC(F)F)c1ccc(OC(F)(F)F)cc1 14603368 AXXUVPHCVYOCKT-UHFFFAOYSA-N 363.307 5.152 0 40 FKAB COc1cc2c(cc1OC)[C@H](C)N(Cc1c(Cl)cccc1Cl)CC2 20567474 GZCKKOJOQYUYAQ-LBPRGKRZSA-N 366.288 5.130 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1C 33171493 YMOZKLBIQFPUHN-UHFFFAOYSA-N 353.472 5.129 0 40 FKAB COc1ccc(NC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1 40158459 TVPOHTQEEJIKCO-MRXNPFEDSA-N 361.445 5.512 0 40 FKAB CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215460 HCDGTRCQHGJSOC-LJQANCHMSA-N 373.541 5.313 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1C 72229880 VNXAWVCPNIOEPF-NRFANRHFSA-N 365.860 5.291 0 40 FKAB COc1ccccc1[C@@H]1Nc2ccccc2[C@H](c2ccc(Cl)cc2)O1 72314742 MZNGQDAXXCMZSN-LEWJYISDSA-N 351.833 5.579 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222959018 CLVPSNGDPDOPDX-ROUUACIJSA-N 373.496 5.363 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225255675 CXOAORWZLMLGTI-UHFFFAOYSA-N 355.441 5.606 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2cc(C)ccc2C)c1 225602705 IASWLXLGSHQVFK-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225654030 PVCWRWMFTDTVOY-FQEVSTJZSA-N 369.933 5.833 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225747683 RFPAAXMDOOKTPS-PGRDOPGGSA-N 363.542 5.795 0 40 FKAB CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OC 314416533 ZVMIYYNOPKRKMU-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB Cc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 408562142 NFLORLWJJRCTRU-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 408564206 STQDAADYVMALKE-UHFFFAOYSA-N 371.502 5.073 0 40 FKAB CCOc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)c1 408987658 GFDPOMAXLFGCDH-UHFFFAOYSA-N 354.475 5.122 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3ccc(Cl)c(Cl)c3)sc2C)c(C)c1 409056964 NVNOHUATMJCGRE-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB CCc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1 409115216 JMGRGKWDUXICHV-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB CC(C)c1ccc(OCc2cccc(C(=O)NC3CCCCC3)c2)cc1 648429 ALYKMKDHUNTURC-UHFFFAOYSA-N 351.490 5.452 0 40 FKAB CCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(C)cc2)cs1 932659 FPJTUKLUOJXBFC-UHFFFAOYSA-N 356.878 5.439 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(C)c1 944199 VKKGFQPIHNYTJS-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(C)cc1 955736 OMIFYFWHBRJGMF-UHFFFAOYSA-N 374.362 5.482 0 40 FKAB CC(C)(C)c1cc(C(=O)Nc2ccc3ccccc3c2)cc(C(C)(C)C)c1 2023129 ASWGUAKBHFLNPC-UHFFFAOYSA-N 359.513 6.687 0 40 FKAB CC[C@H](C)C(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 2270426 RCIJUYPBNHUHMC-NSHDSACASA-N 363.573 6.142 0 40 FKAB COC[C@@H](C)n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1 3260166 JHYYKJYKNUHWRI-JFLJVCDGSA-N 364.923 5.371 0 40 FKAB Cc1nc2c(ccc3nc(Nc4nc5ccc(F)cc5s4)sc32)s1 4137783 YIOIVFGDPTULTL-UHFFFAOYSA-N 372.475 5.707 0 40 FKAB CCCCCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC 4322915 MPYSXPHSCSBUPX-LIONHTAISA-N 365.561 6.190 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3c(F)cccc3Cl)ccc21 4867780 DONGKTMWFVURCB-UHFFFAOYSA-N 366.823 5.859 0 40 FKAB CC(C)OCCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12 5164939 VYYFEHWSLGARFD-UHFFFAOYSA-N 361.445 5.270 0 40 FKAB CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)c1cccc(N)c1 5193356 CWYWMGWVODJUDK-WOJBJXKFSA-N 360.586 6.144 0 40 FKAB Clc1ccccc1CSc1nc2ccccc2n1Cc1ccccc1 5238787 WVINAUSYBVSDGA-UHFFFAOYSA-N 364.901 6.030 0 40 FKAB Cc1ccc(Cl)c(O[P@](C)(=O)Nc2cc(Cl)ccc2Cl)c1 5277215 PRIZEVYZSGJATN-NRFANRHFSA-N 364.596 6.269 0 40 FKAB C(=C/c1nc2cc(-c3ccccc3)ccc2o1)\c1ccc2c(c1)OCCO2 5788783 XXQYBLLUDZGULP-YRNVUSSQSA-N 355.393 5.436 0 40 FKAB CCc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 6219127 KGJUHCGBZRLQDL-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB Cc1nc2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cc2s1 8185732 SXVDFULYBHWXIK-UHFFFAOYSA-N 359.454 5.283 0 40 FKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc(F)c(F)cc1Cl 12635210 BADGYMQESLSUED-BQYQJAHWSA-N 370.786 5.436 0 40 FKAB C/C(=C\c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 15017642 IDYDKUGGKZEUMP-DHSFQPKKSA-N 372.493 5.721 0 40 FKAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2c(F)cccc2Cl)o1 15881549 BJCAZUGTYWJONK-UHFFFAOYSA-N 369.827 5.656 0 40 FKAB CC[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757682 YVRMUGMZFAYOHD-KRWDZBQOSA-N 373.525 6.287 0 40 FKAB CC[C@H](C)N(C(=O)CCCC(=O)N([C@@H](C)CC)[C@H](C)CC)[C@@H](C)CC 17073389 BKGXIBOYIPJXEY-CADBVGFASA-N 354.579 5.008 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 20454162 HZGPHJJVYJUVPD-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB Brc1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 22076605 PQJIUTHGIWJYRG-UHFFFAOYSA-N 356.263 5.041 0 40 FKAB O=C(Nc1ccccc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28648910 WQEXKULWDFFZMT-UHFFFAOYSA-N 351.409 5.063 0 40 FKAB CSc1ccc(CN(C)C(=O)Nc2ccccc2OCC(C)C)cc1 40152303 GAVVGTNRSYEYKI-UHFFFAOYSA-N 358.507 5.107 0 40 FKAB C[C@@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 72045029 DEUPWGNAKTXWQR-PABFRNLHSA-N 366.461 5.182 0 40 FKAB C[C@H](NC(=O)N(C)Cc1cccc2ccccc12)c1cc2ccccc2o1 72235987 GOWZWSQBKNXQIM-INIZCTEOSA-N 358.441 5.489 0 40 FKAB Cc1nc(C)c([C@@H](C)NC(=O)Nc2ccc3nc(C4CC4)sc3c2)s1 84062340 NXYDGMDZAICFOX-SNVBAGLBSA-N 372.519 5.130 0 40 FKAB O=P[C@@]1(Cl)C2C[C@@H]3C[C@H](C2)CC1(C12CC4CC(CC(C4)C1)C2)C3 95496253 JIGXGTAKPFISBE-GJDZJLSASA-N 350.870 6.256 0 40 FKAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100394288 COXAAIGTNDLOER-NUEKZKHPSA-N 374.267 5.067 0 40 FKAB Cc1ccc(C(=O)/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 100873829 XKZQCAZEXXLSBU-VHXPQNKSSA-N 370.477 5.255 0 40 FKAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](OCc4ccccc4)CC[C@]3(C)[C@H]1CC2 118923126 XVAQUNQDQASSEH-KBRDRDRXSA-N 366.589 7.005 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118931450 UTGYMZAUDAYPOM-WKDDSVOISA-N 370.665 8.274 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc2c(c1)CCCC2 223096991 UYJWXKHRFXIKJU-GCJKJVERSA-N 365.517 5.217 0 40 FKAB Cc1cccc(Nc2ccc(NC(=S)N[C@@H](C)c3ccccc3)cn2)c1 223959547 DMABBVJXPAGYKJ-INIZCTEOSA-N 362.502 5.181 0 40 FKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cccc(-c3ccc(F)cc3)c1)OC2(C)C 257326530 WXOBXHXZJFVSFP-VLNSVQMVSA-N 354.465 5.366 0 40 FKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 409106572 OCGBZPKTCXNPAZ-UHFFFAOYSA-N 357.910 5.652 0 40 FKAB Cc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 835143 LOTMOHULUIZDJS-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1 1103473 OHMFAROINVAHPE-NRFANRHFSA-N 358.466 5.017 0 40 FKAB Fc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 1328697 MFVDXBYTNSACGA-UHFFFAOYSA-N 355.221 5.475 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cccc(OCc2cccc(Cl)c2)c1 1433809 UPUNDOOEYJMHLG-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB COc1ccccc1[C@H](Nc1ccc(C)c(C)c1)c1c(C)[nH]c2ccccc12 2546269 GFNWEMKFJXPBGO-VWLOTQADSA-N 370.496 6.303 0 40 FKAB O=C(Nc1cccc(Br)c1)Nc1cc(F)c(F)cc1Cl 3155983 YADHZVOGFPPDAE-UHFFFAOYSA-N 361.573 5.025 0 40 FKAB CC(C)(C)c1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 3209025 IETOQKZTYFUSDY-UHFFFAOYSA-N 353.318 6.100 0 40 FKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(C(F)(F)F)cc1 3355513 KIYWORABAPDSIY-UHFFFAOYSA-N 356.299 5.824 0 40 FKAB Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 4124407 ZZVHKPZSPBZAID-UHFFFAOYSA-N 368.484 5.602 0 40 FKAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F 5261922 UVPBDTBJPMLROY-ZDUSSCGKSA-N 370.374 5.210 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 5274718 LJLZIDAFRNZQGN-SJKOYZFVSA-N 374.937 5.407 0 40 FKAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc(Cl)c(Cl)c1 6207385 UJIKDKQBLDPGID-VMPITWQZSA-N 367.228 5.069 0 40 FKAB CC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 6376731 LMSPYBPRSHYDFW-UHFFFAOYSA-N 368.285 5.068 0 40 FKAB COc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1Cl 7539534 JCKJFIDUYDNKJH-UHFFFAOYSA-N 371.908 5.667 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)Nc1cccc2ccccc12 8275114 MBVIMYSGTVHOGY-UHFFFAOYSA-N 370.456 5.345 0 40 FKAB C[C@H](NCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F 9417450 UOXSGRGLBXGIEQ-INIZCTEOSA-N 353.412 5.395 0 40 FKAB COc1cccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(C)cc3)C2)c1 9485593 WHANCDUSEJTZAG-HXUWFJFHSA-N 363.486 5.124 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1C 10215560 ICBRNUDYFZOGKA-IFMALSPDSA-N 360.482 5.607 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 12401506 QMSYBJQICPIOSF-XXAPSYRMSA-N 353.550 5.321 0 40 FKAB CCCCc1ccc(CC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1 12528389 YNWRSSDFGJRIDJ-UHFFFAOYSA-N 365.502 5.059 0 40 FKAB c1coc(-c2c3c(nc4c2oc2ccccc24)CCCCCCCCCC3)c1 12544118 XVLWDDVNGMHJHB-UHFFFAOYSA-N 373.496 7.460 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc2cc(Cl)ccc2o1 14679195 GPDAJPUTZYMIEZ-UHFFFAOYSA-N 361.854 5.238 0 40 FKAB COc1ccc(C)cc1Nc1nc(-c2ccccc2O)nc2ccccc12 18245974 HWDYBGKZMUDUKN-UHFFFAOYSA-N 357.413 5.063 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 20035981 ZIZZRZOPQHQTDV-YADHBBJMSA-N 353.506 5.364 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1Cl 20461835 VZOJDRDSPBZBEW-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB O=C(c1cccc(Cl)c1)N(Cc1ccccc1Cl)c1ccccn1 28403698 OKBUXHNDXDUUEK-UHFFFAOYSA-N 357.240 5.235 0 40 FKAB Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)c2ccccc2n1 36394903 GNWJCWYVNAFJQI-UHFFFAOYSA-N 351.759 5.223 0 40 FKAB CC(/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O)=C\c1ccccc1 39860628 IDBJWUIKUBHTFS-NEOBQEPSSA-N 355.846 5.527 0 40 FKAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 45891621 MKQCEADFUARPQV-UHFFFAOYSA-N 350.032 5.135 0 40 FKAB CC[C@H](C)Nc1nnc(SCc2csc(-c3cccs3)n2)s1 89942319 OIZMQQWLYAMGBX-VIFPVBQESA-N 368.578 5.226 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccc2[nH]ccc2c1 96116283 GFEGWXDAHLGYQU-LJQANCHMSA-N 363.848 5.110 0 40 FKAB biogenic Brc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1 107027531 ZPJICRGBSWXDNS-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)[C@@H](C)O)[C@@H]3CC[C@@]2(C)C1 118928391 QUWRCMPXPZEVLG-NAIMMNTLSA-N 362.598 5.821 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc2ccccc2c1 222816322 DSGDMJOTSGZYJH-NRFANRHFSA-N 367.876 5.275 0 40 FKAB Cc1cccc(CSCCNC(=S)Nc2cccc(OC(C)C)c2)c1 225338839 WLSORABGYVIURK-UHFFFAOYSA-N 374.575 5.002 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 225502452 DSZFJDFUPGBNBK-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB COc1ccc(C2(C(=O)Nc3ccc(OC)c(Cl)c3)CCCCC2)cc1 225560429 VEMGQIYJMQRXGA-UHFFFAOYSA-N 373.880 5.198 0 40 FKAB CC(C)Oc1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225591620 PKPAQVWCIMEHSA-UHFFFAOYSA-N 366.596 5.216 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225747710 RFPAAXMDOOKTPS-AVRDEDQJSA-N 363.542 5.795 0 40 FKAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C 253617589 XFQZMLHHLMNCGB-XVDXISBDSA-N 362.554 5.102 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)NC1CCCCCCC1 408562563 BGDGOQWDFVTKDN-UHFFFAOYSA-N 360.350 5.456 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1CCCc1ccccc1 409141305 VARXGRUHUDOKMK-SDNWHVSQSA-N 363.891 5.071 0 40 FKAB Cc1cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl 623542 OHFAZLGYEJLRHB-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2Cl)c(Cl)c1 951486 HKEZFAXCQAJGTB-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB CCOC(=O)c1c(NC(=O)CC(C)C)sc(CC)c1-c1ccccc1 976805 JGUJQXYEWGJBCN-UHFFFAOYSA-N 359.491 5.139 0 40 FKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1 1177854 OHGYAVZKSKBNJE-WUKNDPDISA-N 365.436 5.191 0 40 FKAB Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2cccc(F)c2)C1 1294013 QBPLTGGRWXBFQE-UHFFFAOYSA-N 364.807 5.830 0 40 FKAB Cc1cccc(N(CC(=O)c2ccccc2Cl)C2=NCCCS2)c1C 1440355 HTUXHFMJMJNLBS-UHFFFAOYSA-N 372.921 5.139 0 40 FKAB CC(C)O[C@H]1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1868706 ORTRBOFLFKTAHR-LJQANCHMSA-N 362.473 5.351 0 40 FKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2093895 OBNQJQKZALRZBD-UHFFFAOYSA-N 360.453 6.044 0 40 FKAB biogenic CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 2714261 XTPGGAYSQSYXRK-UHFFFAOYSA-N 356.473 5.608 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccccc1 3092843 SCSWDZSLFVGMFW-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB CCCCNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3171876 OQFGHZZEUZSMOH-UHFFFAOYSA-N 355.443 6.398 0 40 FKAB Cc1cccc(Oc2ccc(Nc3nc4cc(Cl)ccc4o3)cc2)c1 3392298 RAUJLMNQQKMYOS-UHFFFAOYSA-N 350.805 6.326 0 40 FKAB CC(=O)CCc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1 3408111 XTCDQIGWWVUUBR-UHFFFAOYSA-N 369.424 5.006 0 40 FKAB Cc1cc2cc(CNC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1C 4061609 XBNZOACXVACTMV-UHFFFAOYSA-N 362.260 5.115 0 40 FKAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cccc2ccccc12 4138219 RXVWXEROALTHPX-UHFFFAOYSA-N 354.453 5.130 0 40 FKAB c1ccc([C@H]2C3=C(CCCC3)N3c4ccccc4N[C@@]34CCCC[C@H]24)cc1 4732964 NMMJJAVXQBYOHO-YNJKOYDBSA-N 356.513 6.431 0 40 FKAB CC(C)c1ccccc1N(C(=O)c1ccccc1Cl)C1=N[C@@H](C)CS1 4979286 QOOOYLGILJVRHS-AWEZNQCLSA-N 372.921 5.602 0 40 FKAB O=C(N=[S@@](=O)(Oc1ccccc1)c1ccc(Cl)cc1)c1ccccc1 5257451 CRVPGLUMFOYYMX-VWLOTQADSA-N 371.845 5.001 0 40 FKAB CC(=O)[C@H](Sc1nnc(Nc2ccc(C)cc2C)s1)c1ccccc1 6587348 XKYWXDYUMDHDRK-KRWDZBQOSA-N 369.515 5.321 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccccc3-c3ccccc3)n2)o1 6588778 RFKIQTCFMHQFDY-UHFFFAOYSA-N 360.438 5.631 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)c1 6649295 HGONKBNFXLSEHI-GOSISDBHSA-N 368.527 5.540 0 40 FKAB COc1ccc([C@H]2Nc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 6678041 MRKZVZNQAMCIHA-GOTSBHOMSA-N 373.431 5.110 0 40 FKAB Nc1c(Cl)cc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1Cl 6927870 LRBYDDRSKOKBJD-UHFFFAOYSA-N 355.224 6.051 0 40 FKAB CC[C@H](C)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 8326708 MAPHDJSFMOERHJ-ZDUSSCGKSA-N 368.304 5.469 0 40 FKAB Cc1ccc(CSCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10331975 WAKMJVNNQMPRPE-UHFFFAOYSA-N 369.574 5.275 0 40 FKAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1-c1ccccc1 12976360 LQUPDTFFMRMDQS-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13670417 GMBFTBUIOAMRTF-IRXDYDNUSA-N 355.547 5.483 0 40 FKAB Cc1ccc(-c2csc(SCc3cn4cccc(C)c4n3)n2)cc1 14070669 QSGXUUQXFKLNGL-UHFFFAOYSA-N 351.500 5.367 0 40 FKAB COc1ccc(-c2nc(/C=C/C(=O)Nc3ccc(C)cc3C)cs2)cc1 16705330 URXJKFWWMLZMPC-YRNVUSSQSA-N 364.470 5.087 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1C 17074218 JHDIXPSWSKRRBK-UHFFFAOYSA-N 360.407 6.101 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccc(C)cc1 22512050 YCHZTOACCVVINN-PKTZIBPZSA-N 361.485 5.573 0 40 FKAB Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2C(=O)c2ccc(C)cc2)cc1 28465636 FWLRBBAIRGVWAU-UHFFFAOYSA-N 368.436 5.120 0 40 FKAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1ccc(F)cc1 40159155 IDOQCPZZHNTJNU-NSHDSACASA-N 364.829 5.294 0 40 FKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 45888581 LKMILMFWVSUFQE-UHFFFAOYSA-N 353.491 5.045 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(Cl)cc2Cl)cc1 222875728 APBJUIHUPKZZCH-GOSISDBHSA-N 366.288 5.030 0 40 FKAB CCCOCc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OCC 224704504 CGTVKOPMWFKMEB-UHFFFAOYSA-N 355.478 5.135 0 40 FKAB C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccc(F)cc3)ccc1OC2(C)C 257209237 BPNURZUTSVLSAC-ONTRVFCTSA-N 356.437 5.432 0 40 FKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccc(F)c1 408534662 VVMIVAYBKZLICF-UHFFFAOYSA-N 370.383 5.169 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1Cl 408621993 OQHPXKVJDFHBST-UHFFFAOYSA-N 365.043 5.561 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccccc2Cl)cc1 409183822 VEHINGSSWLWESR-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1Cc1ccco1 643892109 JZAOYMXQKJIIES-UHFFFAOYSA-N 350.447 5.008 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 849050 UJEIUZYMRRKLQO-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB Cc1ccc(S[C@@H](CC(=O)c2cccs2)c2ccc(F)cc2)cc1 1463231 AYQSPQMSHJHBMQ-FQEVSTJZSA-N 356.487 6.302 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 1914110 JFGPKTFZTYFDRE-UHFFFAOYSA-N 351.368 5.120 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 2078821 CGCNGNLIGZUWMN-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1cccc(F)c1 2093942 MMDNUPVCPHJNGI-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COc1cccc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1 3351524 WDCBOBORLAZZRS-FQEVSTJZSA-N 367.445 5.306 0 40 FKAB Cc1ccc(-c2csc(NC(=O)CSc3ccccc3C)n2)cc1 3359029 ARWBNXVEVUTNRD-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB Cc1ccc(-c2cc(C(=O)OCC(C)C)c3cccc(Cl)c3n2)cc1 4525948 MZFNNIDLNHCNMZ-UHFFFAOYSA-N 353.849 5.676 0 40 FKAB c1ccc([C@@H]2C3=C(CCCC3)N3c4ccccc4N[C@@]34CCCC[C@@H]24)cc1 4732961 NMMJJAVXQBYOHO-AMDXRBSFSA-N 356.513 6.431 0 40 FKAB CC(C)c1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 5021695 AALBEYJDEOPZFV-UHFFFAOYSA-N 354.413 5.352 0 40 FKAB CCc1ccccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 6258829 AEDJVGIJUOITKF-UHFFFAOYSA-N 358.800 5.257 0 40 FKAB CC(=O)c1ccc(O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7338040 HZQMORGMHPRMFK-XMMPIXPASA-N 369.420 5.374 0 40 FKAB CC(C)n1ncc2c(C(=O)Nc3ccc4ccccc4c3)cc(C3CC3)nc21 8391022 QEMFPFUHLONENP-UHFFFAOYSA-N 370.456 5.295 0 40 FKAB CC(CNC(=O)CCCc1cccs1)(c1ccccc1)c1ccccc1 12817198 CQBPWOQQBKMEPH-UHFFFAOYSA-N 363.526 5.193 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)[C@H](C)c2ccccc2)n1 19690614 SMQKDHDRJLXLQD-DVECYGJZSA-N 370.496 5.524 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)CNc2cccc(OCc3ccccc3)c2)c1 19738469 ONHBUXGIVUGPNF-FQEVSTJZSA-N 361.485 5.762 0 40 FKAB CCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 40485325 VIKRWDXQONADCJ-QHCPKHFHSA-N 369.464 5.302 0 40 FKAB Clc1cc(-c2nc3ccccc3s2)cc(Cl)c1Br 45919943 GHDNZAHDTDIPMZ-UHFFFAOYSA-N 359.075 6.033 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 52660276 FWKBRSXSUZNNEH-GJZGRUSLSA-N 364.411 5.000 0 40 FKAB Clc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)c(Cl)c1 57352435 PQASLPIUVSJAOI-UHFFFAOYSA-N 354.236 6.392 0 40 FKAB CCCCc1ccc2nc(Nc3nc4cc(CC)ccc4o3)sc2c1 57352897 OPJONTQWDLRLTM-UHFFFAOYSA-N 351.475 6.086 0 40 FKAB CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215793 KQASWKJKSQNHSO-LJQANCHMSA-N 367.493 5.312 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 78458588 ISJKKGSXKLGPCF-SBUREZEXSA-N 361.485 5.437 0 40 FKAB Oc1nc(/C(Cl)=C\c2cccnc2)nc2scc(-c3cccs3)c12 78790754 RHIIEYCQVMGUHC-KPKJPENVSA-N 371.874 5.257 0 40 FKAB c1ccc(-c2nc3nc(-c4cccs4)nc(N4CCCCC4)c3o2)cc1 96346485 QLQBEVYOTZFJKU-UHFFFAOYSA-N 362.458 5.004 0 40 FKAB CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1 102732020 MDGGSVYMSXMPHL-KRWDZBQOSA-N 354.475 5.555 0 40 FKAB CC1(C)C[C@H](NC(=O)CCc2cccc3ccccc23)c2ccccc2O1 222674527 QAHJACHSWCEJKC-NRFANRHFSA-N 359.469 5.191 0 40 FKAB O=C(NCc1cccc2ccccc12)c1cccc(OCc2ccccc2)c1 222864541 NCHZDPVJDCRBDT-UHFFFAOYSA-N 367.448 5.349 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(OC(C)C)c1 222924057 YSSPVSDJJQOTMN-NRFANRHFSA-N 369.505 5.567 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224286343 UZAMBXLBSXRYLS-MRXNPFEDSA-N 367.448 5.498 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSCc2ccccc2)cc1 408778220 CFJUVEMSNUBNPB-UHFFFAOYSA-N 367.901 6.026 0 40 FKAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1Cl 408828926 WPBGVWAMGXTEAI-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 668627 RECVSQXXASZBDO-HNNXBMFYSA-N 364.876 5.570 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3cccc(C)c3n2)cc1 971693 ULMIOHFIQAFPQN-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB S=c1oc(-c2ccccc2)nn1CNc1ccc(Cl)cc1Cl 1090862 CMEACHLBZPFUPP-UHFFFAOYSA-N 352.246 5.249 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 1100127 JNTLLCSOBPBEPV-GOSISDBHSA-N 359.469 6.031 0 40 FKAB Cc1cccc(NC2=C[C@@H](c3cccs3)N(c3cccc(C)c3)C2=O)c1 1426244 ISZLVACKVRFMPB-FQEVSTJZSA-N 360.482 5.449 0 40 FKAB O=C(Nc1ccccc1[C@@H]1CC1(Cl)Cl)Nc1cccc2ccccc12 1443165 YOSQRIJPNLRBRH-INIZCTEOSA-N 371.267 6.145 0 40 FKAB Brc1ccc2c(c1)CC1c3ccccc3C(C2)c2ccccc21 2187106 IFSRZFMXSFZNQY-UHFFFAOYSA-N 361.282 5.825 0 40 FKAB CC1CCC(OC(=O)c2ccccc2C(=O)OC2CCC(C)CC2)CC1 2508296 JKJWMYHRXOJYJS-UHFFFAOYSA-N 358.478 5.158 0 40 FKAB in-vitro O=C(/C=C/c1ccc(F)cc1)OCC(=O)c1ccc(C2CCCCC2)cc1 3314060 RSEHYNBONIARJK-OVCLIPMQSA-N 366.432 5.313 0 40 FKAB O=C(/C=C/c1cccs1)Nc1nc(-c2nc3ccccc3s2)cs1 4176337 DFRHIYJYMYMBPY-BQYQJAHWSA-N 369.496 5.133 0 40 FKAB C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)CCc1ccccc1 4699201 DUOSCNPXDRFGLW-XOBNHNQQSA-N 353.509 5.958 0 40 FKAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1 5552713 FRFACSKCYHYQIY-PXNMLYILSA-N 354.818 5.062 0 40 FKAB CSc1nc(=S)c2sc3nc(CC(C)C)c4c(c3c2[nH]1)CCC4 5858723 OBHXVHKONUJLMB-UHFFFAOYSA-N 361.561 5.311 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 5951259 XTZVRKUTQNEVSM-UHFFFAOYSA-N 365.395 5.917 0 40 FKAB Cc1ccc(Nc2nc(CSc3ncnc4ccccc34)cs2)cc1 6549356 YMXGOLUDIPLFTE-UHFFFAOYSA-N 364.499 5.431 0 40 FKAB Cn1cc(/C=C2/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cn1 6920592 OEFVYGZGLIGBOP-BMYGGJACSA-N 366.549 5.415 0 40 FKAB CCOc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccccc1 8325526 NKWDPQRXXKNNSL-IBGZPJMESA-N 361.485 5.515 0 40 FKAB CC(=O)Nc1ccc(SCCOc2cc(Cl)ccc2Cl)cc1 9503314 GRVFRILBOOFOQW-UHFFFAOYSA-N 356.274 5.123 0 40 FKAB CC(=O)c1cccc(NC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)c1 9528926 JUVWCTYXPJXXEV-UHFFFAOYSA-N 370.408 5.258 0 40 FKAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)cc1 9882755 YWBJYHBFLAQESA-LJQANCHMSA-N 360.404 5.123 0 40 FKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2F)cc1 12758993 IJSPHOKHKCRCCS-UHFFFAOYSA-N 371.795 5.532 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 12822616 VRJUAIFKLRMSFK-OAHLLOKOSA-N 365.502 5.319 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 13670145 KBVSQHBJCZNREZ-MRXNPFEDSA-N 369.505 5.273 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 14028247 OPYXMYCCPZQRSP-UHFFFAOYSA-N 366.288 6.205 0 40 FKAB O=C(NC1CCCCCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1 14254821 NZYDQWXBWFWSRV-UHFFFAOYSA-N 373.500 5.051 0 40 FKAB CCCCCc1oc(CCCCCCCCCCC(=O)O)c(C)c1C 15120898 MCTXSZNBSIMKTO-UHFFFAOYSA-N 350.543 6.767 0 40 FKAB endogenous,in-man CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 16016980 CASJVDNQGFWTSZ-UHFFFAOYSA-N 358.441 5.200 0 40 FKAB CCCCCCC1(/C=C\c2ccc(Cl)cc2Cl)OCC(C)(C)CO1 17108286 AKMAQZLYBFHOIO-BENRWUELSA-N 371.348 6.746 0 40 FKAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(-c2ccccc2)cc1 32972072 OIIDQGPUSKRKHC-OAHLLOKOSA-N 361.407 5.086 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)NC1CC(C)(C)NC(C)(C)C1 40096368 NWPIMHNHQLZIND-UHFFFAOYSA-N 359.558 5.364 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 40913186 KCUSIXNFDFHWGJ-OAHLLOKOSA-N 359.897 5.488 0 40 FKAB C[C@@H](NC(=O)CSCCCc1ccccc1)c1ccc2ccccc2c1 58014155 KVIQTBMOWZTHAC-GOSISDBHSA-N 363.526 5.383 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(C(C)C)cc1 95950232 DTVZLLZONNCUDW-UHFFFAOYSA-N 359.535 5.525 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 216051190 MUYWBXKBGLIXAB-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223098368 IQLVNQBKNHCELC-YADHBBJMSA-N 369.480 5.129 0 40 FKAB CCCCCNC(=O)c1ccc(OCC)c(CSc2ccccc2)c1 224656360 GECZXTYMGMMHOD-UHFFFAOYSA-N 357.519 5.298 0 40 FKAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1 225087140 DXLRQSLIJXKPFF-OAQYLSRUSA-N 353.506 5.382 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(Br)c2)c1 225535883 JJYGRZXQIGUIOJ-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB FC(F)(F)c1cc(-c2ccccc2Br)cc(C(F)(F)F)c1 247655037 OQKLUAYVNVRWJV-UHFFFAOYSA-N 369.102 6.154 0 40 FKAB Cc1ccc(COc2ccc(/C=C3\Sc4ccccc4NC3=O)cc2)cc1 409095796 ICYCDAMXBHRNAT-HMAPJEAMSA-N 373.477 5.659 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C)c2c1 720927 XJEUACLRMQUDAI-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Cc1nn(C(=O)Cc2ccccc2)c(C)c1Sc1ccc(Cl)cc1 1471304 HRPZABIWNAYWQR-UHFFFAOYSA-N 356.878 5.187 0 40 FKAB O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 1665690 KBMSHLIYFNGBTH-OALUTQOASA-N 350.289 5.254 0 40 FKAB CC(C)(C)NC(=O)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 2144480 QIFNVUKEXYKDGB-UHFFFAOYSA-N 357.397 5.459 0 40 FKAB COc1ccc([C@@H](CCN[C@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 2444415 NIQSHFRVLGQLJZ-WIYYLYMNSA-N 373.968 6.609 0 40 FKAB c1ccc(-c2ccc(-n3cc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 3182798 SUOLOAOVKYMTSD-UHFFFAOYSA-N 371.483 7.478 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc(Br)c1 3432934 ZFLMRLUQWPYTAO-UHFFFAOYSA-N 366.258 5.292 0 40 FKAB c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(-c4ccccc4)cc3)C2)cc1 4257196 ICEQMQCLZOVEMI-HHHXNRCGSA-N 374.487 6.709 0 40 FKAB Cc1cccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1 5656120 BFFRZPUBOHWKLP-UHFFFAOYSA-N 374.484 5.559 0 40 FKAB CCOC(=O)/C(=C\c1ccc2ccccc2c1)P(=O)(OCC)OCC 5848751 DLECWYVBKQCDRC-NBVRZTHBSA-N 362.362 5.010 0 40 FKAB FC(F)(F)c1cccc(C2=NNC(c3cccs3)=Nc3ccccc32)c1 6252623 LNFRFFOVLKOJMJ-UHFFFAOYSA-N 371.387 5.201 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@@H]21 7097683 CRNCUXZZPSIYFE-LJFZDNNRSA-N 367.448 5.878 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 8480959 CKYPUCSZAYSRNE-FQEVSTJZSA-N 365.404 5.414 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCCC[C@@H]1c1nc2ccccc2s1 9578380 HMLWODMPUYLAMX-MRXNPFEDSA-N 362.454 5.410 0 40 FKAB C[C@]1(c2ccncc2)NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 12549184 BCABKZMHHNPTOY-WZONZLPQSA-N 373.887 5.215 0 40 FKAB CCOC(=O)c1c(C)[nH]c2c(-c3ccccc3)c3cc(Cl)ccc3nc12 13207876 BTENGJCAQNBMEJ-UHFFFAOYSA-N 364.832 5.522 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)N1c2ccccc2Sc2ccccc21 13717171 LSVDWRPYDLEMFO-UHFFFAOYSA-N 370.836 6.314 0 40 FKAB COc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1 13843309 VQFVGYYWFADZRQ-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB FC(F)(F)c1ccccc1CN(CCc1ccccc1)Cc1ccncc1 13990037 GVWYTVNWADKKJB-UHFFFAOYSA-N 370.418 5.345 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1Cl 14398731 MYISFDLOEPVFHT-GFCCVEGCSA-N 366.288 5.697 0 40 FKAB CCc1ccc([C@@H]2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1 19926939 HHECNNYBACRACD-KRWDZBQOSA-N 351.393 5.046 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 22533838 JXBNQDLDEHCWCG-UHFFFAOYSA-N 356.469 5.200 0 40 FKAB O=c1c2scc(-c3cccc(Cl)c3)c2ncn1CCc1ccccc1 38655079 GVKRMDMFHCSRLI-UHFFFAOYSA-N 366.873 5.021 0 40 FKAB COc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3ccccc3)=NN2)cc1 95215338 SMCBOZMTYBLGCG-UHFFFAOYSA-N 369.468 5.253 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)NC5CCCCC5)(C4)C2)C3)cc1 100864023 PNEPEPKQCOTRMN-JSZXIJHASA-N 365.561 5.672 0 40 FKAB CCCOc1ccc(CNc2ccc(Br)cc2)cc1OCC 106994704 JLSPVAUPNJPSSI-UHFFFAOYSA-N 364.283 5.249 0 40 FKAB C=C/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118940225 SCZFJLZMTKPHEI-QSQLJGBZSA-N 354.534 5.993 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 223020496 YWLLAIPPMSVCHN-IBGZPJMESA-N 361.869 5.232 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C 223443043 GRNUICJMBIEZEC-KRWDZBQOSA-N 359.897 5.302 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1 224360712 MAMFSJZOYNIVPU-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB O=C(CCc1nc2ccccc2o1)Nc1ccc2c(c1)oc1ccccc12 224948630 ILXZMRBMBJZHOT-UHFFFAOYSA-N 356.381 5.299 0 40 FKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc2c(c1)oc1ccccc12 225148430 VHJWTFIKXQHSDC-UHFFFAOYSA-N 371.436 5.482 0 40 FKAB CC(C)C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225332204 YNVWTBDSHMUXTR-LJQANCHMSA-N 364.316 5.830 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSC1CCCCC1 225370054 ARTDIWIWLASKLJ-UHFFFAOYSA-N 360.350 5.108 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)cc1C 244975110 ICBRNUDYFZOGKA-IRLDBZIGSA-N 360.482 5.607 0 40 FKAB O=C(C1CCCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257331653 XTSJDEBSKWSQKP-FQEVSTJZSA-N 370.468 5.038 0 40 FKAB FC(F)(F)c1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)O2)nc1 1942114397 QFLUMJQUCAPCRJ-OALUTQOASA-N 368.358 5.360 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1OCC 936392 FUWOMZCXNURONL-ZRDIBKRKSA-N 359.853 5.098 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1C 944198 MCNKTLLQXMZJTK-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21)c1ccccc1 1022448 MHYNSJVWRVYYJJ-VURPSTOHSA-N 372.512 5.540 0 40 FKAB aggregator Fc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 1328703 ZHQDDZSGMVYUSL-UHFFFAOYSA-N 355.221 5.475 0 40 FKAB CCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2299897 FLYDJXVACQLUMH-UHFFFAOYSA-N 354.523 5.454 0 40 FKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 2306273 NDPCEXSQCMLYJO-UHFFFAOYSA-N 370.783 5.090 0 40 FKAB Cc1cc(C)cc(NC(=S)Nc2ccc(Br)cc2Cl)c1 3295842 ADRVTUPPHOBBIF-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 3299872 DUXSKOQRZHUFHG-ZDUSSCGKSA-N 351.368 5.236 0 40 FKAB COC(=O)c1ccccc1Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 4622496 ICDUGJCGANPIPB-UHFFFAOYSA-N 355.478 5.517 0 40 FKAB COc1ccc(N2C(=O)C(c3ccccc3)=C(C)O[C@H]2c2ccccc2)cc1 4658970 AWZDPBRLDOMWSU-DEOSSOPVSA-N 371.436 5.188 0 40 FKAB COc1ccc(C2=NN(c3ccc(F)cc3F)[C@H](c3cccs3)C2)cc1 4712869 SAOKUQHWBIWINE-IBGZPJMESA-N 370.424 5.391 0 40 FKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccs1 6496545 WTCWIZYCBKBMDM-UHFFFAOYSA-N 370.433 5.962 0 40 FKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 6608784 BZVATGXDKHHWNR-UHFFFAOYSA-N 359.882 5.098 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccccc1OCCOc1ccccc1 8722924 DKUSYFIYDAVZHB-UHFFFAOYSA-N 367.832 5.050 0 40 FKAB Cc1ccc(N2C(=S)N=C(Nc3cccc(C)c3)C23CCCCC3)cc1 12447784 NNDPOUDAZWIYMK-UHFFFAOYSA-N 363.530 5.622 0 40 FKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 14223135 JJOHGEQQRSNJKL-UHFFFAOYSA-N 369.511 5.255 0 40 FKAB Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 16348802 CJHFRFIPVVNMQA-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccccc1 20106943 BWJFDMUXQIDXLV-NQIIRXRSSA-N 353.506 5.481 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1ccccc1)c1ccccc1 20493756 XGXSLKDUISRNPD-WLUIYZDRSA-N 353.465 5.421 0 40 FKAB CCc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(OC)cc1 26897022 QYRFIGROWNTOHB-UHFFFAOYSA-N 354.453 5.777 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2cccc(OC)c2)cc1 27664307 JGFMKTPYGONJNK-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB Cc1cccc(N2C(=O)/C(=C/c3cc(C)ccc3C)c3ccccc3C2=O)c1 35128670 MSTXVGRBJTWQRX-HZHRSRAPSA-N 367.448 5.339 0 40 FKAB Cc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1cccc(Cl)c1 38651955 LQYVHLDTZGDTSM-UHFFFAOYSA-N 370.840 5.159 0 40 FKAB CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1C(=O)C(F)(F)F 43505044 GIANHYKSSOSTSZ-UHFFFAOYSA-N 366.379 5.673 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)SCc2ccccc2)cc1 44880948 JBBMCQCVBUEEFW-UWJYYQICSA-N 371.546 5.221 0 40 FKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2c3ccc4c(c3CC[C@@]21C)CCCC4 71775189 VLVSPITURLTIAR-SNIDIPQXSA-N 366.633 7.720 0 40 FKAB CCc1cccc(C)c1NC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 83827664 VJHHQWNHWLRERW-PGRDOPGGSA-N 350.506 5.871 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(F)ccc1F 96171236 JKIUHDUFEABXSI-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(Cl)cc1F 96538479 HNVXZWNQZUQYRB-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB Fc1ccc(-c2cs/c(=N/c3ccccc3F)n2C2CCCCC2)cc1 102962792 KGFDZXQXFRIXNM-DARPEHSRSA-N 370.468 6.232 0 40 FKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccoc1 217652296 AQFHAXKVAZIIKB-UHFFFAOYSA-N 364.401 5.462 0 40 FKAB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 222974480 MGFOUQQJNKZSLN-KRWDZBQOSA-N 363.910 5.017 0 40 FKAB CC(C)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 223365187 VAVWMZMEQNMYSL-UHFFFAOYSA-N 351.874 5.474 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223492867 IHMOMRCRUCSJMG-LAUBAEHRSA-N 373.924 5.608 0 40 FKAB CCCCOCc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OC 224435599 WRZQLYCCRVYJND-UHFFFAOYSA-N 355.478 5.135 0 40 FKAB CCc1ccc(CC)c(CNC(=O)c2ccccc2OCc2ccccc2)c1 224752915 COZLQBYRQGIQFZ-UHFFFAOYSA-N 373.496 5.320 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 225630214 VZYHJGDGWZZEMS-DEOSSOPVSA-N 355.481 5.393 0 40 FKAB Cc1ccc2c(c1)[C@H]1Oc3ccc(C)cc3[C@H]3Oc4ccc(C)cc4[C@@H](O2)N13 226319602 OTYZCQBRBUIEJS-WXFUMESZSA-N 371.436 5.487 0 40 FKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(OC)cc1 408835637 YWOSYBZPXWWVCP-UHFFFAOYSA-N 366.486 5.332 0 40 FKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1Cl 408922643 DARFGVRNDOPUBH-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB Cc1ccc(-c2nn(CNc3cccc(C(F)(F)F)c3)c(=S)o2)cc1 1064264 ICWPYJDMMSFFOQ-UHFFFAOYSA-N 365.380 5.269 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2073958 NEDFLUBBCJQMTH-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1 2145976 JUWMWHGJHDNAGE-YADHBBJMSA-N 364.828 5.242 0 40 FKAB O=C(O)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 3252552 YXCDOOYPWGWDPY-RGEXLXHISA-N 366.363 5.580 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 3289463 NYISDSUICVHOJK-UHFFFAOYSA-N 373.500 5.551 0 40 FKAB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 3351148 KTMIGZOTBRBXEN-UHFFFAOYSA-N 367.235 5.360 0 40 FKAB CCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)cc1 3454615 LSPPQHOKMKEACV-GFCCVEGCSA-N 358.488 5.114 0 40 FKAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C(C)(C)C)cc1 3893252 DMZOAZKRDJZLGX-UHFFFAOYSA-N 367.470 5.238 0 40 FKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@@H]1[C@H]2C 4027938 YMIQZMUWJPTDGH-GELMKWMWSA-N 366.457 5.043 0 40 FKAB Cc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(F)cc3F)cc1CS2 4091860 ZEHUGNJQLLHEKG-UHFFFAOYSA-N 373.449 5.860 0 40 FKAB CCCC(=O)Sc1[s+]sc2c1-c1cc(C)ccc1NC2(C)C 4117128 WOPNFOZXRIMMAY-UHFFFAOYSA-N 350.554 6.146 0 40 FKAB O=C(CNC1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 4256160 KCFILLADMODZDQ-UHFFFAOYSA-N 372.921 5.392 0 40 FKAB biogenic CC(C)CC(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 4505969 BOOGSNHDFZYMLF-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 4666307 HYWAYCIRDZDJAS-LJQANCHMSA-N 357.497 6.361 0 40 FKAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c[nH]c2ccccc12 4691463 RRSZEFIZTHQMOR-QMHKHESXSA-N 356.469 5.683 0 40 FKAB CCN(CC)[P@]1(=O)OC(c2ccccc2)=CCN1c1ccc(OC)cc1 5807677 WAUAUSFQZXLBJF-SANMLTNESA-N 372.405 5.023 0 40 FKAB CC(C)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 5832506 LMGCVVGRHZUHTK-UHFFFAOYSA-N 374.513 5.463 0 40 FKAB CC(=O)Nc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 6671286 WPKMJAAJNIEPRY-UHFFFAOYSA-N 373.275 5.198 0 40 FKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)Nc2ccc(Cl)c(Cl)c2)C1 6754892 KFGHSKGKPPWWMO-SJKOYZFVSA-N 357.350 5.591 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1ccco1)C(c1ccccc1)c1ccccc1 7808748 OGPHLWNITVWISQ-DEOSSOPVSA-N 367.448 5.317 0 40 FKAB Clc1ccccc1CSC1=NC2(CCCCC2)Nc2ccccc21 8023407 ZFKSBLFNDUAEJN-UHFFFAOYSA-N 356.922 6.106 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1cc(Cl)cc(Cl)c1 8382808 XEPJLZHCCVTINN-UHFFFAOYSA-N 360.240 5.798 0 40 FKAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 9935278 FDZNCKCDSBLRCI-HNNXBMFYSA-N 363.848 5.095 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(F)(F)F 11637288 JPUBXTNMKKLZEO-QGZVFWFLSA-N 351.368 5.118 0 40 FKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)cc1 12985907 QVDQXIFDBWCVFL-CQSZACIVSA-N 367.832 5.102 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@H]32)C1 13425057 RXZQACCASWKYSX-HLBYWRGSSA-N 373.537 5.347 0 40 FKAB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 14256858 OVVBXXQXACAQFF-UHFFFAOYSA-N 367.470 5.205 0 40 FKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccccc2Cl)n1 17075355 PHABAARZCKULSF-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(C)c2C)c2ccccc2)cc1 20041844 RPJFXTPTYXRAOY-GBXCKJPGSA-N 373.496 5.285 0 40 FKAB COc1ccc(Nc2ncccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 22072973 HOOHGTFPRPPNMZ-UHFFFAOYSA-N 361.445 5.210 0 40 FKAB Cc1ccc(C)c(-c2cc3c(SCc4cccc(F)c4)nccn3n2)c1 38486623 LDKYWVPUWNJLCD-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB CCc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)n4c3c2CCCC4)cc1 40163759 IFNSSQZMDAZRMQ-UHFFFAOYSA-N 374.915 6.627 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 46086205 BZZFFJIBMRMPJL-OAHLLOKOSA-N 351.446 5.411 0 40 FKAB CCCCc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 57316030 OIPODZCVSWJTKG-UHFFFAOYSA-N 367.533 6.123 0 40 FKAB c1ccc(-c2ncc(CNC(c3ccccc3)c3ccccc3)s2)cc1 57847277 FIGJQGMJUZZZHO-UHFFFAOYSA-N 356.494 5.689 0 40 FKAB Cc1cc2oc(=O)cc(CN3CCC[C@H]3c3ccsc3)c2cc1Cl 58358249 PHHSEAGGPSWNHS-KRWDZBQOSA-N 359.878 5.153 0 40 FKAB Cn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118916118 ARYVICLZGFZHAR-VXEZSESDSA-N 368.565 5.207 0 40 FKAB CCCCC(F)(P(=O)(OCC)OCC)P(=O)(OCC)OCC 199454504 MUXYFPXRKUDQKF-UHFFFAOYSA-N 362.315 5.332 0 40 FKAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 218938284 XWCMKQPJTCZJSB-OAHLLOKOSA-N 359.897 5.202 0 40 FKAB Cc1cc(Nc2ccccc2)nc(S[C@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)n1 221831635 IKASSMQQNILGOK-FYINFDKHSA-N 367.518 5.015 0 40 FKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 223446066 LSKOHLXRFVSIRK-UHFFFAOYSA-N 373.496 5.460 0 40 FKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2O1 223507595 RUDAEZOSETTYSK-APWZRJJASA-N 369.530 5.366 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)c1 225781943 WDSQDCWJHORMLM-CQSZACIVSA-N 365.901 5.207 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c2ccccc12 225821059 YJCFCHPNRHMAIA-HSZRJFAPSA-N 371.521 5.799 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br 889237 OHOXNDLQSITUEW-UHFFFAOYSA-N 360.038 5.400 0 40 FKAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)c(Cl)c2)S1 1044062 SMDCGWAGYNDFFR-NSHDSACASA-N 363.845 5.009 0 40 FKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Cl)c1 1064311 UIEROXIDAHVXMZ-OSXLHZELSA-N 373.883 5.822 0 40 FKAB Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cn1 1403040 YCJXALWLTSNLIF-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB CC(C)Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 1415803 UDPIWLBTZLGOQZ-UHFFFAOYSA-N 369.387 5.352 0 40 FKAB CC(C)(C)CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 1776087 VZBQAVHBSQMXHX-OVCLIPMQSA-N 370.920 6.673 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(Oc2ccccc2)cc1 2652758 SZHQVBXUBMDSQU-HNNXBMFYSA-N 368.816 5.505 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)sc1Cl 4173488 MPLYIUCWINSOTD-UHFFFAOYSA-N 374.598 5.979 0 40 FKAB Cc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)o1 5505547 SQVBCDKHVPVSON-NSHDSACASA-N 370.459 5.010 0 40 FKAB C/C(=C/c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 5931971 BRHPOMKOYBHVEM-BZNBOCDVSA-N 354.453 5.497 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)cc2)cc2ccc(Br)cc12 6221893 QPGPLCPXRPMTHD-UHFFFAOYSA-N 361.622 5.621 0 40 FKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 7538111 DITJCKRQUFATRI-UHFFFAOYSA-N 361.485 5.181 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccccc1F 8113940 GDGLJHMYLQAWBH-UHFFFAOYSA-N 355.384 5.165 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1)C1CC1 8313233 PFRIGOPNOALTBU-UHFFFAOYSA-N 359.454 5.307 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)cc1 8436755 OAARDANYDWRUBB-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB COc1ccc(-c2c/c(=N/c3ccc(C)c(C)c3)c3cc(O)ccc3o2)cc1 12661414 QJYOKSOCSDDHRK-LVWGJNHUSA-N 371.436 5.663 0 40 FKAB biogenic CC(C)=CCc1ccc2c([C@@H](C=C(C)C)c3ccc4cc[nH]c4c3)c[nH]c2c1 13365959 FNELRTTWUIVSEN-QHCPKHFHSA-N 368.524 7.256 0 40 FKAB biogenic,in-vitro CC[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccc1 14071285 NNFFEFMKICYHNM-HNNXBMFYSA-N 373.827 5.868 0 40 FKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2)c1Cl 14258120 FSKIVTUENDMUDB-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB COc1ccc(NCc2ccccc2OCCc2ccccc2)cc1Cl 19738103 JFPATHMPJYOCMD-UHFFFAOYSA-N 367.876 5.582 0 40 FKAB Cc1cc(C)cc(OCc2nnc(SCc3cccc(Cl)c3)o2)c1 20197016 NWMMMQNDQBPMGB-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C(F)(F)F)cc1 20457634 OYPXZHWNJDOSIL-INIZCTEOSA-N 351.368 5.118 0 40 FKAB CCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1 22254944 JBVNZZDUOJMTHT-UHFFFAOYSA-N 350.365 5.130 0 40 FKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 24568217 LIZLHYRANNQPDR-UHFFFAOYSA-N 368.358 5.232 0 40 FKAB O=C(c1ccc(CSCc2cccc3ccccc23)cc1)N1CCCC1 24940288 HORBTMITTRWEFG-UHFFFAOYSA-N 361.510 5.509 0 40 FKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1 33262468 DCLQHDRUVVURCD-UHFFFAOYSA-N 374.469 5.048 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)cc1 36613232 XCISSKMNTRCCSW-UHFFFAOYSA-N 361.342 5.222 0 40 FKAB CSc1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 38852579 WWPMYKFGURVOAL-UHFFFAOYSA-N 354.519 5.037 0 40 FKAB Cc1noc(C)c1CN(C)Cc1csc(-c2ccc(C(C)C)cc2)n1 58933816 DWAMOUWIAFVKQZ-UHFFFAOYSA-N 355.507 5.170 0 40 FKAB FC(F)(F)c1cc(NCCCN2CCc3ccccc32)c2ccccc2n1 89861326 IMOAEJASSKSPQJ-UHFFFAOYSA-N 371.406 5.118 0 40 FKAB CCCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 102957660 IKUIBICRDYYUCC-BMRADRMJSA-N 373.452 5.297 0 40 FKAB O=C1[C@H]2CCC[C@H]1[C@@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl 105372482 CGUASMJNIPXHJW-ILRDRHFLSA-N 360.284 5.364 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2cccc3ccccc23)cc1 223508157 PZPUAJBUUNHYGB-DTQAZKPQSA-N 373.496 5.346 0 40 FKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Cl)cc1Cl 223664366 UUTQACAFLFIRCX-UHFFFAOYSA-N 366.288 5.100 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c3c(cccc13)CC2 224981379 HAWHFRFFNMQPDU-UHFFFAOYSA-N 363.460 5.787 0 40 FKAB CCc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 225593671 GGYSWOATWKYBQU-IBGZPJMESA-N 357.497 5.525 0 40 FKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 227145657 IZXOPQZPRHUEQK-DHZHZOJOSA-N 352.821 5.143 0 40 FKAB CSc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408544571 HTAFRNCGUVQXMW-UHFFFAOYSA-N 369.873 6.107 0 40 FKAB COc1c(C(=O)Nc2ccccc2F)cc2ccccc2c1Br 408619281 AXVISPSFKGGMCF-UHFFFAOYSA-N 374.209 5.002 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408623288 SCQQTYMKAPEQNW-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccco1 409051843 NLBGWPROLDLJHR-UHFFFAOYSA-N 364.401 5.462 0 40 FKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409117518 OFDNJORVFXPJHB-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CCCc1sc2nc(SCC)n(-c3cccc(C)c3)c(=O)c2c1C 409122088 YVJRLWVQKHQHEF-UHFFFAOYSA-N 358.532 5.129 0 40 FKAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccc(Cl)cc2)c1C 1224368 AOOUITAJTXLIJN-UHFFFAOYSA-N 369.873 5.502 0 40 FKAB Fc1cc2c(cc1F)N=C(C(F)(F)F)CC(c1ccc3ccccc3c1)=N2 1251190 FWKYDVJXLLGCMT-UHFFFAOYSA-N 374.312 6.277 0 40 FKAB Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CCCC3 1781289 JHSNCBQAMUZTNH-UHFFFAOYSA-N 370.543 5.135 0 40 FKAB C[C@H]1CCc2sc(C(=O)OCc3csc(-c4ccccc4)n3)cc2C1 2660625 OUIDYTYXSVIEMZ-ZDUSSCGKSA-N 369.511 5.353 0 40 FKAB CCCOc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 2690464 JBQPOQYSDNXBQY-UHFFFAOYSA-N 372.468 5.452 0 40 FKAB CC1CCN(Cc2nc(Cl)c3c(-c4cccs4)csc3n2)CC1 3887737 NKMFSOJSFYRWHJ-UHFFFAOYSA-N 363.939 5.305 0 40 FKAB Cc1ccccc1NCc1nc2ccccc2n1CCOc1ccccc1 3894912 ZBZPFNXCRPUBFZ-UHFFFAOYSA-N 357.457 5.036 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@H]32)C1 4030702 RXZQACCASWKYSX-JPKQVDQESA-N 373.537 5.347 0 40 FKAB O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2ccccc12 4188309 QVTUUXVGGREZKO-UHFFFAOYSA-N 360.196 5.097 0 40 FKAB Cc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc2ccccc12 4739890 ZIQRWOPPZOQFKF-UHFFFAOYSA-N 361.448 6.063 0 40 FKAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](SC(C)=O)CC[C@H]12 4758882 RVOGPLZAOZWWPL-CSEOROSGSA-N 372.530 5.116 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccc(C(F)(F)F)c1 5192587 MHDOYGNZSWGTKL-UHFFFAOYSA-N 372.371 5.721 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)cc1Cl 6243160 AQKUMAHBEGHYJA-CYBMUJFWSA-N 360.910 5.289 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl 6260088 PFKRVNACGCNXTB-FPYGCLRLSA-N 371.061 5.408 0 40 FKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3cccc(C)c3C)cc2)c1 6268662 QJYXFBLDHZYNBZ-UHFFFAOYSA-N 361.510 6.324 0 40 FKAB Brc1cnc2nc(-c3cccs3)c(-c3cccs3)nc2c1 6744481 KGTLEHKAUCMCMD-UHFFFAOYSA-N 374.288 5.244 0 40 FKAB Cc1cccc(C)c1NC(=O)CSCc1ccc(Cl)cc1Cl 7094304 OXILXBSUSSVWOW-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1cccs1 7523945 IWPPPVCNYJGSMA-UHFFFAOYSA-N 359.535 5.538 0 40 FKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC 8253868 AGXZRPJTIXXWBB-UHFFFAOYSA-N 363.929 5.052 0 40 FKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11613729 QECFWKADDNXJLU-UHFFFAOYSA-N 364.681 5.064 0 40 FKAB Cc1cccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)n1 13001806 OGHYDSGLMNQPOT-UHFFFAOYSA-N 368.436 5.375 0 40 FKAB Fc1ccccc1COc1cccc(CNCc2ccccc2Cl)c1 16449768 VHVAIFQDXIHRIO-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB CCOc1ccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)cc1 16691535 LUGISAXLTLLWBV-UHFFFAOYSA-N 353.421 5.532 0 40 FKAB Cc1ccc([C@@H]2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1C 19926944 FFULXGXTXUEHTD-KRWDZBQOSA-N 351.393 5.101 0 40 FKAB CC(C)(C)c1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 21002810 DZZKOXPFYLLNJS-UHFFFAOYSA-N 362.351 5.293 0 40 FKAB O=C(c1ccccc1)c1c(NCc2ccc(F)cc2)ccnc1C(F)(F)F 33338137 KBJWHPMAVGTOPC-UHFFFAOYSA-N 374.337 5.083 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)c(C)c1 39968755 LXIXZORUNXNDKZ-QGZVFWFLSA-N 350.890 5.534 0 40 FKAB CCCCCC[C@@H](CN(CCCC)CCCC)N(CCCC)CCCC 43752078 RZLYLUPSEZKQSN-DEOSSOPVSA-N 368.694 7.130 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3nnc(C(C)C)s3)c2c1 61997187 OJSIKWYDTJUOON-UHFFFAOYSA-N 373.478 5.147 0 40 FKAB Cc1cc2oc(=O)cc(CNc3ccccc3-n3cccn3)c2cc1C(C)C 65493302 DWWITKXYBOYXSZ-UHFFFAOYSA-N 373.456 5.023 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219379476 VGQMDLFSXIQZQJ-SFTDATJTSA-N 353.506 5.345 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222603839 QBEDFDYALBASDO-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB Cc1ccc(CSCCNC(=O)CCc2cccc3ccccc23)cc1 222660780 SSAVVMALLWZGQW-UHFFFAOYSA-N 363.526 5.130 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225282395 NKDQGKDHAYRMKY-KRWDZBQOSA-N 353.506 5.649 0 40 FKAB CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 225407711 QAQADGYGHNDATG-MRXNPFEDSA-N 370.562 5.819 0 40 FKAB COc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1Cl 225853436 BMVCDLKMHABKLC-UHFFFAOYSA-N 374.937 5.413 0 40 FKAB Cc1ccccc1C1(NC(=S)Nc2cccc(OC(C)C)c2)CCCC1 225867524 KDCHVKLLFWABMP-UHFFFAOYSA-N 368.546 5.538 0 40 FKAB CCCn1c(SCc2ccc3ccccc3c2)nnc1-c1ccccc1 409094624 FAYWJNHTKDNHSN-UHFFFAOYSA-N 359.498 5.801 0 40 FKAB Clc1ccccc1COc1cccc(-c2nc3ccccc3s2)c1 409189160 DMLQNDVDKRILQG-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@H]1c1ccc(Cl)cc1 1775977753 WEDWPBJTDFKLRL-STQMWFEESA-N 363.269 5.345 0 40 FKAB O=C(NC1CCCCCC1)c1ccc(COc2cccc3ccccc23)o1 672828 MFTIZDXSVYPEAO-UHFFFAOYSA-N 363.457 5.464 0 40 FKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC 827350 UVJOJMPBILPOEC-UHFFFAOYSA-N 356.425 5.428 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Cl 1097932 HNSPEQFZNFKTAT-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CSc1cccc(Nc2ncc(F)c(Nc3cccc(SC)c3)n2)c1 1105117 OVFSZDXVKFSRDT-UHFFFAOYSA-N 372.494 5.547 0 40 FKAB CC(C)(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1447966 VRKABNFKRCDHHR-UHFFFAOYSA-N 356.805 5.065 0 40 FKAB biogenic ClC(Cl)=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl 1627666 WNYCWKSFQDZCCY-UHFFFAOYSA-N 355.690 5.726 0 40 FKAB CCCCC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 1816333 XMUHLDXXUCVEJT-UHFFFAOYSA-N 363.573 6.286 0 40 FKAB Cc1c(Cl)cccc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 2282242 MDYHRWQQWZAJKK-INIZCTEOSA-N 364.876 5.229 0 40 FKAB c1ccc(-c2oc3ncnc(N4CCCCCC4)c3c2-c2ccccc2)cc1 2701521 KFVDXTJVYGNGBK-UHFFFAOYSA-N 369.468 5.937 0 40 FKAB CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccccc4)c23)c1 4121826 XSADZCAPQDPLDI-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB c1csc(-c2nnc3ccc(SCc4cccc5ccccc45)nn23)c1 4326799 MOAXWAXEZYOMMZ-UHFFFAOYSA-N 374.494 5.298 0 40 FKAB C1=C(c2ccccc2)N2C(=NN=C(c3ccccc3)[C@H]2c2ccccc2)S1 4667564 XCNCOCNJJDTECB-JOCHJYFZSA-N 367.477 5.549 0 40 FKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 4675149 IKLLMWCURLFKIK-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1C2=C(CCCC2)C(=O)N1[C@H](C)c1ccccc1 4698668 JWNMZYLANVDJON-OSPHWJPCSA-N 370.496 5.991 0 40 FKAB CCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccccc2C)s1 4982387 BRQNMYKPYHJFOI-UHFFFAOYSA-N 365.502 5.269 0 40 FKAB Cc1cc(C)cc(NCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)c1 5516400 AIFRPVKWQQABQV-UHFFFAOYSA-N 371.436 5.395 0 40 FKAB aggregator,biogenic O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 5673543 LGNVMIGXFJENDL-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cl)c1 6240978 HOBZNWMINOJMMV-YRNVUSSQSA-N 351.620 5.192 0 40 FKAB Cc1ccc(Sc2ncccc2C(=O)N2CCc3ccccc32)c(C)c1 6848821 ASCKYCKURYRMRW-UHFFFAOYSA-N 360.482 5.053 0 40 FKAB Cc1ccc(CNCc2ccc(OCc3ccccc3Cl)cc2)cc1 7525171 PQUQQYFMHOVNJC-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(C)n(C)c3ccccc23)o1 9668892 QFZITZKZYBOHNJ-QHCPKHFHSA-N 370.452 5.134 0 40 FKAB CCCCC[C@@H](C)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 9805644 JEIHYBQCEJWNJC-LJQANCHMSA-N 366.505 5.217 0 40 FKAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 11566478 OTRNNAXAPZRGDT-UHFFFAOYSA-N 351.556 5.227 0 40 FKAB C[C@@H]1CC(=O)c2c(OCc3coc(-c4ccc(Cl)cc4)n3)ccc(F)c21 12770273 HXPCDYQBOBMFLJ-LLVKDONJSA-N 371.795 5.403 0 40 FKAB Cc1ccccc1CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687551 ZIHYEOUGGQKACR-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB C[C@@H]1CC(C)(C)N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 16608510 BPKUBHAACZQSOA-CYBMUJFWSA-N 362.395 6.030 0 40 FKAB CC[C@H](C)c1ccccc1O[C@H](CC)CNc1cccc(C(F)(F)F)c1 19737628 XRMJWJCEFVDYMB-MAUKXSAKSA-N 365.439 6.488 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)N2c3ccccc3C[C@H]2C)s1 19933124 PHZQYGOGTVBIQU-CYBMUJFWSA-N 368.527 5.090 0 40 FKAB Cc1ccc2c(CSc3nc4ccc(Cl)cc4o3)cc(=O)oc2c1 22218873 RTBAIXCPENVWQJ-UHFFFAOYSA-N 357.818 5.188 0 40 FKAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1C 22409754 OWCLDQXFLPRERV-UHFFFAOYSA-N 363.461 5.048 0 40 FKAB C[n+]1c(/C=C/C2=C3N(CCC2)c2ccccc2C3(C)C)ccc2ccccc21 43754902 PVSOJKUIMARUFJ-UHFFFAOYSA-N 367.516 5.523 0 40 FKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NCc1ccccc1 48534114 ZNSDNBHRJBOBNE-DHZHZOJOSA-N 372.251 5.583 0 40 FKAB Fc1ccc(-c2csc(/C=C/c3csc(-c4ccccn4)n3)n2)cc1 58406502 ATZYZXVJZFTVAV-CMDGGOBGSA-N 365.458 5.638 0 40 FKAB CCCCCn1c(SCc2cccc(C)c2)nc2ccsc2c1=O 67259650 WTKREDFKRKNOMK-UHFFFAOYSA-N 358.532 5.249 0 40 FKAB O=C(COc1ccccc1F)Nc1ccc(CSc2ccccc2)cc1 222773942 WHOLWSUVEDXBPO-UHFFFAOYSA-N 367.445 5.136 0 40 FKAB CC1CCN(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)CC1 222791861 YFLRSAQDRJRFEK-UHFFFAOYSA-N 372.512 5.002 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1F 222882191 AHRVNYGMHWJLAS-UHFFFAOYSA-N 352.114 5.404 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 225374295 XWSAFNRKOFEZBJ-GOSISDBHSA-N 366.288 5.202 0 40 FKAB CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 225484707 SKSJTOARVBCAKR-MRXNPFEDSA-N 352.261 5.192 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225539053 RHFTVQUCZKUPNY-UHFFFAOYSA-N 351.490 5.624 0 40 FKAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)Cl 575243203 XPXADNVVMHMXLI-UHFFFAOYSA-N 357.787 6.171 0 40 FKAB CC1(C)[C@H]2C(Cl)(Cl)[C@]2(C)c2ccccc2N1C(=O)c1ccccc1 851567 BNWHOPCCXZHZPW-IEBWSBKVSA-N 360.284 5.187 0 40 FKAB COc1cc(-c2nnc(C3CCCCC3)o2)ccc1OCc1ccccc1 892001 OHBBVQODBIGHHL-UHFFFAOYSA-N 364.445 5.372 0 40 FKAB CSc1nc(Sc2ccc(Br)cc2)c2sccc2n1 1394051 ZWZCEAZGUVENKX-UHFFFAOYSA-N 369.334 5.327 0 40 FKAB C[C@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 1397766 VRWPWKKRDRVORF-VOJFVSQTSA-N 354.277 5.089 0 40 FKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1cccc(OCc2ccccc2)c1 3215112 VNSOOMKOHNWZMK-NDENLUEZSA-N 361.828 5.412 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4316699 CEABWCRVWFRHCR-UHFFFAOYSA-N 373.481 5.594 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)Cc1ccccc1-2 4699740 NSDXNXJAKAPBNH-UHFFFAOYSA-N 365.432 5.429 0 40 FKAB COc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1OC 4898994 XLLLVFTWCFHOMM-UHFFFAOYSA-N 362.514 5.499 0 40 FKAB Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1Cl 4954596 YHRMOAPXZSYHCU-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB O=C1c2ccccc2C(c2ccccc2)(c2ccccc2)N1c1ccccc1 4991643 KRLGJSLYSJCBOL-UHFFFAOYSA-N 361.444 5.639 0 40 FKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1C 5107044 IGYKQUKNLZYFBS-UHFFFAOYSA-N 374.396 5.147 0 40 FKAB C[C@H]1CC(C)(C)C[C@@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)O)C1 5696647 XROBQVICXLWESG-BBATYDOGSA-N 372.292 5.239 0 40 FKAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)[nH]c(=S)c23)CO1 5700015 KOXOWIFTMSDKLZ-UHFFFAOYSA-N 374.556 5.497 0 40 FKAB Cc1nc2ccc(NC(=O)CCCc3nc4ccccc4s3)cc2s1 6082751 FECBCFCKFCNPFP-UHFFFAOYSA-N 367.499 5.176 0 40 FKAB Cc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl 6923938 NPNKWVJLFKHKGD-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccnc1Cl 8051329 ZNRVHKXDBXSZKQ-UHFFFAOYSA-N 366.892 5.455 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2ccccc2Sc2ccccc2)cc1 8116237 IJVHEPGXQAZBLB-DTQAZKPQSA-N 361.466 5.498 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc2c(Cl)cccc12 9141640 QCYVRCOBYKVODF-UHFFFAOYSA-N 350.632 6.052 0 40 FKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc2ncsc2c1 11487213 JQIRFUDVUFZBGD-VQHVLOKHSA-N 357.438 5.114 0 40 FKAB CC(C)CCC[C@@H](C)NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12659801 KVJGMYWSXQADQY-QUSFTHQTSA-N 361.570 5.105 0 40 FKAB biogenic Cc1ccc(F)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 12783940 PLJSKJNBXDUIGP-HXUWFJFHSA-N 351.446 5.606 0 40 FKAB Cc1ccc([C@H](NC(=O)Nc2ccc(F)cc2F)c2cccs2)cc1 12822201 NEAXUWVAOHUNLT-SFHVURJKSA-N 358.413 5.246 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccccc2F)cc1 13647874 ZGCALOBGDDYUJC-JLHYYAGUSA-N 371.521 5.186 0 40 FKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(C)c3)o2)cc1C 17053209 SRZCCOTZXYGGQR-UHFFFAOYSA-N 370.449 5.137 0 40 FKAB CC(C)(C)c1ccc2c(c1)[C@]13CCCC[C@H]1CCC[C@@]3(c1ccccc1)N2 17111905 ZWAUJSNPNCWELO-CNVLFFCLSA-N 359.557 6.917 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20455146 UEENOMRRDUXXDG-UHFFFAOYSA-N 356.469 5.118 0 40 FKAB COc1ccc(CNc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 21786821 RUAHAEYHQJBVAR-UHFFFAOYSA-N 361.470 5.287 0 40 FKAB Cc1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 21966991 YLCAOBVTHNZCDA-SOFGYWHQSA-N 368.230 5.174 0 40 FKAB CCc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 22254813 JOLRORDNRXWPBO-UHFFFAOYSA-N 351.258 5.418 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(F)ccc1F 28210790 FKAZAMUWUHUDAR-UHFFFAOYSA-N 371.770 5.102 0 40 FKAB Cc1ccc2sc(NC(=O)c3c(Cl)cccc3Cl)nc2c1C 28304081 LIMBKYSHRXPFIZ-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB Cn1c(SCc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 36615146 HPZBVXUGQAUTBG-UHFFFAOYSA-N 368.264 5.220 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38849533 VSMIEEZIUAJSCJ-HNNXBMFYSA-N 356.897 5.133 0 40 FKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c(C)c1 39749215 GQFJOMXHEPKUCM-UHFFFAOYSA-N 370.924 5.116 0 40 FKAB CC(C)c1cccc(N(C)C(=O)c2cccnc2Nc2cccc(F)c2)c1 62527847 WEVRUPHWBWWNLF-UHFFFAOYSA-N 363.436 5.364 0 40 FKAB Cc1ccc(CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 65330854 AOUDFRQLCAHIRA-UHFFFAOYSA-N 354.544 5.852 0 40 FKAB O=C(Nc1ccccc1Oc1cccc(F)c1)N1CCc2ccccc2C1 70006976 OIWFBISCMACWQQ-UHFFFAOYSA-N 362.404 5.208 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(F)c(C)c2)c(Br)c1 71760616 KEQLCVUHJSAQOZ-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB COc1ccc2oc(-c3cccc(NC(=O)C4CCCCC4)c3C)nc2c1 72260300 VNEFRJPZUXTBQV-UHFFFAOYSA-N 364.445 5.331 0 40 FKAB CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@H](Cc1ccc(C)cc1)C1CC1 72303893 ZJHZBYKPBHHCKO-JOCHJYFZSA-N 364.489 5.073 0 40 FKAB CCN(c1ccc(C)cc1)c1ccc(C(=O)NCc2ccccc2C)cc1 78582396 GOBPXZKYQLOYNE-UHFFFAOYSA-N 358.485 5.391 0 40 FKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O 85552729 VENRYLMOFDSSDJ-WMPRHZDHSA-N 358.566 7.553 0 40 FKAB endogenous,in-man Cc1ccc2c(c1)-c1c(ss/c1=N/c1cccc(C)n1)C(C)(C)N2 100708065 XPXCZSFJPNKYLA-DYTRJAOYSA-N 353.516 5.381 0 40 FKAB COc1cc(C)c([C@H](C)NC(=S)Nc2ccc(F)cc2)cc1C(C)C 223388015 VEVWEXQWXIUIIX-AWEZNQCLSA-N 360.498 5.314 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224967262 LHZUJJWMGUMASV-NRFANRHFSA-N 366.505 5.090 0 40 FKAB FC(F)(F)c1cc(NC(=S)NC2CCCCCCC2)ccc1Cl 225517297 IGADCPFVLRKJMX-UHFFFAOYSA-N 364.864 5.758 0 40 FKAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225754774 PRBKYTSFBPVSLD-INIZCTEOSA-N 354.519 5.364 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)C(C)C 225760888 POAHDOKXUZOCGA-QGZVFWFLSA-N 350.890 5.471 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3nc4ccccc4s3)o2)ccc1Cl 409191777 NBKGFWSZFNYQGO-UHFFFAOYSA-N 355.802 5.575 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)on2)cc1 1775975860 HBBVBUHHECWQLH-IAGOWNOFSA-N 352.821 5.046 0 40 FKAB Cc1cc(CN[C@H](C)c2cc(F)ccc2Oc2ccc(Cl)cc2)on1 1776004099 GFBAEMYXUKTWMT-CYBMUJFWSA-N 360.816 5.419 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cccc(C)c2C)cc1 2352858 CDSZZADGGNGWIQ-QHCPKHFHSA-N 369.508 5.865 0 40 FKAB CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(C)cc1 2443526 CFHFQGFOGSYFSX-UHFFFAOYSA-N 361.873 5.358 0 40 FKAB OC(CSc1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 3128410 YEEINPOYQHZOJQ-UHFFFAOYSA-N 360.400 5.132 0 40 FKAB O=C(CCNc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 3155932 REYARDQXAGAJEG-UHFFFAOYSA-N 373.077 5.441 0 40 FKAB CSc1ccc(-c2nc3cnccn3c2Nc2c(C)cccc2C)cc1 3896533 DEYCIPLQLDJNKK-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB Fc1cc(F)c(F)c(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1F 4613836 QYUFXJWKTZLZIA-GOSISDBHSA-N 370.349 5.599 0 40 FKAB Cc1ccc2nc(-c3cccc(Cl)c3)c(Nc3ccc(Cl)cc3)n2c1 4632343 IHRBXPMPSMGZKI-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 4664521 KGVSVXAFKIDMRY-UHFFFAOYSA-N 358.652 5.443 0 40 FKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nc2ccccc2[nH]1 4678855 LQBAUCLHTVRAEJ-UHFFFAOYSA-N 369.449 5.223 0 40 FKAB C[C@@H](CC[C@H](COc1ccccc1N)[C@@H](C)CC(C)(C)C)CC(C)(C)C 5211306 HGQBRBXGVRFTTN-SLFFLAALSA-N 361.614 7.189 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)cc(C)cc1C 5341932 LFOYYBQILTZFGB-XDOYNYLZSA-N 356.922 6.048 0 40 FKAB COc1ccc(Nc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)cc1 5659746 AKHXBYYRYGBLFL-UHFFFAOYSA-N 367.449 5.387 0 40 FKAB FC(F)(F)c1cccc(Sc2nccc(-c3ccc(Cl)cc3)n2)c1 5750046 AAESJVQAFSFYJD-UHFFFAOYSA-N 366.795 5.967 0 40 FKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Cl)cc1 6126290 VEAZIPVSTDDLLQ-UHFFFAOYSA-N 371.845 5.107 0 40 FKAB Cc1ccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)cc1 6148470 QWEHDYXGMNNLSY-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB COc1cc2sc(NC(=O)c3ccc(C)cc3Cl)nc2cc1Cl 6472957 DLBQLHGFORRGIJ-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB Cc1c(-c2ccccc2)nc2sc3c(c2c1-c1ccco1)CC[C@H](C)C3 7148264 FLAQRDZHXJYAJO-AWEZNQCLSA-N 359.494 6.657 0 40 FKAB Cc1cc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)on1 8216061 WOJADGNYAQMMIM-UHFFFAOYSA-N 359.501 5.455 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 8335538 CVGKEBXAHSQCKJ-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB Clc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 9041385 QMWJVLIFTYJUCD-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB C[C@H](NCc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 10473912 FZSKIGQHTBMLSH-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB Cc1cc(SCc2ccc(Cl)c(Cl)c2)nc2ccc(F)cc12 12970476 FZPNRDASBZLWLI-UHFFFAOYSA-N 352.261 6.281 0 40 FKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 14292027 CSRWRNMOHXDTGW-UHFFFAOYSA-N 367.832 5.702 0 40 FKAB Cc1cc(Br)ccc1NC(=O)Nc1cccc2ccccc12 16282581 JKOQLONUXACDFC-UHFFFAOYSA-N 355.235 5.555 0 40 FKAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 20459158 MHWFZQAXCBUOQA-JKSUJKDBSA-N 371.546 5.351 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc(C)c1Cl 20485874 YQHHWGRSBCUFPD-PXNSSMCTSA-N 373.924 5.628 0 40 FKAB Clc1cccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1 22076597 QZRKOKUFKZSGPJ-UHFFFAOYSA-N 350.849 5.414 0 40 FKAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 23389292 DMQZXYJUQOTSQV-UHFFFAOYSA-N 363.461 5.048 0 40 FKAB CC(=O)c1c(C)[nH]c(-c2csc(Cc3c(F)cccc3Cl)n2)c1C 23624443 AUACBMVFXZNDKS-UHFFFAOYSA-N 362.857 5.341 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 30848267 PKZLOXREBWJQOH-AWEZNQCLSA-N 351.368 5.037 0 40 FKAB CC(C)Sc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087670 YTPLWPPEUOVCNO-UHFFFAOYSA-N 362.420 6.059 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 57412055 UJGWTPHPJATTMW-UHFFFAOYSA-N 353.853 5.325 0 40 FKAB O=C(Nc1cccc2[nH]ccc12)N(Cc1ccc(F)cc1)C1CCCCC1 72275399 VNZDAFNGCMWECX-UHFFFAOYSA-N 365.452 5.674 0 40 FKAB CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)s1 78870145 RGJKNNHSUKMMHJ-NSHDSACASA-N 371.333 5.083 0 40 FKAB O=C(N[C@H]1CCc2cc(F)ccc21)c1[nH]c2ccc(Cl)cc2c1Cl 84459434 BJJWGELZWKZBFK-AWEZNQCLSA-N 363.219 5.031 0 40 FKAB CCCCc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 170564444 INDIHOSEMVMRPC-UHFFFAOYSA-N 374.488 5.432 0 40 FKAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219556843 FWBBXDUQNZHUHV-QFBILLFUSA-N 369.505 5.028 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 222977400 VXHJECHCHWTOBA-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCC2 223210761 VOVDPZMECOPNQY-LJQANCHMSA-N 369.508 5.575 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1ccccc1SCc1ccccc1 224092724 PLFLIXBTJWDWCG-GOSISDBHSA-N 355.547 5.925 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COC(C)C)c2)cc1 224721064 GYASDOYIDOOBJS-UHFFFAOYSA-N 369.505 5.605 0 40 FKAB Fc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1F 225519188 YFVBMKNBPDBUMJ-UHFFFAOYSA-N 354.425 5.041 0 40 FKAB CC[C@H](CNC(=S)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 225631372 BNBWPTHCZLWSKU-ZDUSSCGKSA-N 350.890 5.034 0 40 FKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1 225743465 MULBYWNUEDUSNI-UHFFFAOYSA-N 369.933 5.545 0 40 FKAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c2ccccc12 225858945 QBRDOAFVRRXJQQ-QFIPXVFZSA-N 355.478 5.162 0 40 FKAB Cc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1Br 226248203 SLZXAAAWROVNAZ-UHFFFAOYSA-N 367.246 5.665 0 40 FKAB Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 226310678 DJAUYORZHLXJIE-UHFFFAOYSA-N 372.664 5.091 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 250576103 OFLWCQNVMZPNAV-NXQKYAITSA-N 361.485 5.805 0 40 FKAB COc1ccc(/C=C(/C(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)cc1 409114087 BWKQRCQWTLOKBI-XQNSMLJCSA-N 371.480 5.800 0 40 FKAB O=c1oc2ccccc2cc1-c1nnc(Nc2cccc3ccccc23)s1 846044 WATSAPKCTXAYEG-UHFFFAOYSA-N 371.421 5.208 0 40 FKAB COc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 853535 IDSXESHUSNLCST-UHFFFAOYSA-N 352.242 5.469 0 40 FKAB Cc1ccc(NC(=O)c2cccc(OC(=O)N(C)c3ccccc3)c2)cc1C 1082436 HKNIHCVLSMVBQV-UHFFFAOYSA-N 374.440 5.191 0 40 FKAB O=C(Nc1cccn2c(-c3ccc(Cl)cc3)cnc12)c1ccccc1F 1384169 UNDJMWAKQMYSRO-UHFFFAOYSA-N 365.795 5.046 0 40 FKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCC4)ncnc32)cc1 1447522 XSOXFRJAYPAVRS-UHFFFAOYSA-N 372.447 5.217 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 2069843 AKJJSRJYCPQONY-INIZCTEOSA-N 368.477 5.102 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(C(C)C)cc3)N=C(O)CCN21 2130897 IJKOSMWGYHBYIX-DKOVKCOZSA-N 374.528 5.986 0 40 FKAB biogenic COc1cccc(-c2nc(Oc3ccc(C)c(C)c3)c3ccccc3n2)c1O 2408822 ZUBDQMZBKRHGJP-UHFFFAOYSA-N 372.424 5.420 0 40 FKAB CCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1 2432957 IXYBPYKXQZFPLI-UHFFFAOYSA-N 367.792 5.111 0 40 FKAB COc1ccc(/C=C/c2c(C)oc(C)c2/C=C/c2ccc(OC)cc2)cc1 3175803 XBOQAAWKRQMKEY-KAVGSWPWSA-N 360.453 6.254 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4096010 KIQFUORWRVZTHT-HSYHYESFSA-N 374.565 5.715 0 40 FKAB in-vitro O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C12CC3CC(CC(C3)C1)C2 5125924 OCDRTIZBLOOXBM-UHFFFAOYSA-N 371.484 5.385 0 40 FKAB CC1=C(C)C[C@H](C(=O)NC2CCCCCCCCCCC2)[C@@H](C(=O)O)C1 5523259 JERUTSOCPMTFCI-PMACEKPBSA-N 363.542 5.223 0 40 FKAB Cc1ccc(OCCn2c(-c3ccccc3Cl)nc3ccccc32)cc1 5547709 BAEDMZSSVJRPKQ-UHFFFAOYSA-N 362.860 5.744 0 40 FKAB CCCCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5707780 SVPXJVDNBQPUHH-UHFFFAOYSA-N 352.356 5.528 0 40 FKAB CCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5907059 AMGXIELGNOHJMD-UHFFFAOYSA-N 364.488 6.468 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Oc1ccccc1 5937464 QDEYVBOWXYBONV-UHFFFAOYSA-N 373.330 5.630 0 40 FKAB C[C@@H](NC(=S)Nc1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 6996140 YZXSAWKGXGIWDQ-LRYXAPPNSA-N 364.558 5.731 0 40 FKAB COc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7279172 YOIBBPVMOOZEJR-QFIPXVFZSA-N 356.425 5.213 0 40 FKAB CCCCN(C)Cc1c(C)nc2ccc(Oc3ccccc3)cc2c1O 8571800 VQSTYWPYMBORRK-UHFFFAOYSA-N 350.462 5.273 0 40 FKAB O=C(c1ccc2ccccc2c1)N(C(=O)N1CCCCC1)c1ccccc1 10254481 QYUDUZMSJIMHMT-UHFFFAOYSA-N 358.441 5.093 0 40 FKAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccccc4C)ccc3C(=O)O2)cc1 11666558 WAQMNSYYHGMEAN-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB C[C@H](C1CC1)N(C(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccccc1 11692354 PRNIMOAZACSEJT-LLVKDONJSA-N 368.691 6.092 0 40 FKAB Cc1ccc(-c2cc(-c3cc(C)oc3C)nc3sc4c(c23)CCC4)cc1 12970765 DQGVUNFUDPMULR-UHFFFAOYSA-N 359.494 6.637 0 40 FKAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc(F)cc1)c1ccccc1 14129460 ACOMTTAIWGIVGI-JOCHJYFZSA-N 358.416 5.021 0 40 FKAB CCCCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccc(C)cc3nc21 16955974 IUXKKLBTKQFLJH-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB COc1ccc2[nH]c(CN(Cc3ccccc3)Cc3cccc(C)n3)cc2c1 19663021 BMSTWCNZMQXKKJ-UHFFFAOYSA-N 371.484 5.082 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 20488423 OIOZPHWVPHGFGC-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB C[C@@H](NC(=O)Nc1ccc(Br)cc1Cl)c1cccs1 20536142 JLDLDHDSXCSJNL-MRVPVSSYSA-N 359.676 5.047 0 40 FKAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 20632783 FNESPIOEBGXZBJ-AWEZNQCLSA-N 371.267 5.400 0 40 FKAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1Cl 28231607 PDDDICUKPOWKGC-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB O=C(Nc1ccc2[nH]ccc2c1)c1cn(Cc2ccccc2)c2ccccc12 32094428 WVLKSKNTCULUTR-UHFFFAOYSA-N 365.436 5.423 0 40 FKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccc(F)cc1 33040285 RKXJHYDCQKQWBH-HXUWFJFHSA-N 373.431 5.261 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351560 JHLNADCOBHDTNL-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212056 SUDALWROIZHPJP-JOCHJYFZSA-N 372.468 5.028 0 40 FKAB Cc1cc(-c2csc(C(C)(C)NC(=O)OC(C)(C)C)n2)c(C)s1 84081906 IQBSSHJVANGRQG-UHFFFAOYSA-N 352.525 5.248 0 40 FKAB CC(C)c1cc(C=O)c(OCc2ccccc2)cc1OCc1ccccc1 95830571 SPNCDKLGLPWEGP-UHFFFAOYSA-N 360.453 5.781 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 96328835 SSOCUFRKNVQUCP-HKQCOZBKSA-N 368.649 8.194 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223086397 LZAAVXPDZVKMAT-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COCCC)c2)cc1 224710367 BROHOUANGDNRHV-UHFFFAOYSA-N 369.505 5.607 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 224899023 PRTZZFYDUOCZKU-LYBHJNIJSA-N 368.480 5.466 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 225086769 WTTTWUFKUGDXKZ-AWEZNQCLSA-N 361.677 5.435 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225705236 VGMIENIVHSNCAB-XMSQKQJNSA-N 363.542 5.795 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225887374 SPVVIJCOOIUFFQ-JOCHJYFZSA-N 372.509 5.194 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ncccc12 225908733 ADLAJXUPCOJQDG-QFIPXVFZSA-N 372.509 5.338 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2ccccc2c1 830092 KCIAQRGKACFXTB-UHFFFAOYSA-N 363.420 5.635 0 40 FKAB Cc1cc2cc(C)c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc2cc1C 902915 RWSQMJCULYMPPR-IAGOWNOFSA-N 356.535 5.042 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(Cl)cc1C 949565 NECIAWNHMVKQLL-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB COc1ccccc1[C@@H](CC(=O)c1ccccc1)Sc1ccccc1N 1045075 JHSZAZDRYRWVNF-JOCHJYFZSA-N 363.482 5.384 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 1097930 HHOFAOBWVMHERN-UHFFFAOYSA-N 350.231 5.138 0 40 FKAB O=C(c1ccccc1F)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1295871 SXNLHPFBQQIHAJ-SFHVURJKSA-N 368.795 5.064 0 40 FKAB CCOC(=O)C(C)(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 1618977 NCXIIPCDUJPFDG-UHFFFAOYSA-N 360.457 5.135 0 40 FKAB CC(C)(C)c1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 1746328 IHPAMOMGPYWVHP-UHFFFAOYSA-N 372.443 6.526 0 40 FKAB CCCCC(=O)c1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1 2049277 WQYTZVDJCMSHPS-UHFFFAOYSA-N 374.499 7.485 0 40 FKAB Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3C)cc2)c(C)c1 2069589 MFNPEOIKEORTQI-UHFFFAOYSA-N 374.436 5.359 0 40 FKAB Cc1cccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 2124798 OCXANOWNSLDKDU-UHFFFAOYSA-N 369.420 5.125 0 40 FKAB biogenic CCOc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1 2230461 STBLMXLPAPLYLZ-UHFFFAOYSA-N 359.404 5.578 0 40 FKAB Fc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3ccccc32)cc1 2688457 CLBWNJYWLONAIK-UHFFFAOYSA-N 371.390 5.530 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OCCC)CCCC2 2734419 OJQUDDGNOOJTKD-AWEZNQCLSA-N 365.539 5.349 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2919346 MSWWFYOZJZSEDP-ROUUACIJSA-N 370.859 5.340 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1 2961599 UQVCVAOQIQUSNH-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB Clc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 3052862 BMKCCEUMCZXRNL-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3C(F)(F)F)C(=O)O2)cc1 3052877 KCNKETCOPFXVAO-SFQUDFHCSA-N 373.374 5.347 0 40 FKAB COc1cc2c(cc1NC(=O)c1cccc(Cl)c1)oc1ccccc12 3200067 JKDALKWVRSDPDK-UHFFFAOYSA-N 351.789 5.500 0 40 FKAB Cc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1C 3297601 GUIFWXRNJPFWEO-UHFFFAOYSA-N 357.497 5.184 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2c3c(cccc13)CC2 4512660 BROISWASUSHANE-DHZHZOJOSA-N 368.263 5.897 0 40 FKAB CN1c2ccccc2[C@H](c2ccccc2)c2ccc(Nc3ccccc3)cc21 4522609 KRTADEDZLCEZRZ-SANMLTNESA-N 362.476 6.692 0 40 FKAB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4562058 HCVTXESBLPDBRY-OUOWLKGYSA-N 370.496 5.915 0 40 FKAB c1ccc(SCc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 4614853 CPLZDYAJGYOULC-UHFFFAOYSA-N 365.567 7.150 0 40 FKAB CCOc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@H]21 4715951 OALBNEZHZUFMCN-GXPWMBGSSA-N 366.461 5.128 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 4893812 LNWWOMTXNGIBBK-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)c1cccc(N)c1 5193434 CWYWMGWVODJUDK-PMACEKPBSA-N 360.586 6.144 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccccc2)C1=O 5217089 SVDDGKGEGASOQK-MWIHYIROSA-N 362.513 5.931 0 40 FKAB CC(C)CC[C@H](CCN[C@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 5266751 LUPYCHXACSWWHP-GUDVDZBRSA-N 351.600 6.046 0 40 FKAB COC(=O)c1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1 5520725 QYZQOIDPJSOUKW-UHFFFAOYSA-N 360.335 5.092 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 5528784 NONOBDKEMCYOSS-OAHLLOKOSA-N 367.832 5.538 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 6030161 DOBWHYBCJLAKFM-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB CCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 6153049 LAKJKNDXCDRSAX-UHFFFAOYSA-N 367.367 5.145 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2C)cc1 6204966 WOKOVAAPNVRYDO-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Brc1cccc(-c2cn3nc(C4CCCCC4)sc3n2)c1 7995001 XDVVPMPAQCZPFU-UHFFFAOYSA-N 362.296 5.268 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc3c(c2)CCC3)cc1 9498479 SSFOVNDONUAZIT-UHFFFAOYSA-N 362.498 5.097 0 40 FKAB Cc1cc(C)c2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 11869683 MCCYECMPRLUZDI-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic Cc1ccc2c(-c3cc4cc(Br)ccc4o3)cc(=O)oc2c1C 11869714 MBWWQFSHJFCAIW-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic Cc1ccc(CNc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)o1 12561157 MOHQMKOBPYUPGG-UHFFFAOYSA-N 373.500 5.896 0 40 FKAB CCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13030738 NMFVXAHRUOOKJR-FQEVSTJZSA-N 362.561 6.967 0 40 FKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 13562804 ZOERYLZCLDLETJ-NQHMTMRJSA-N 365.561 6.046 0 40 FKAB CCOc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1CC 14085339 UPBJCFGBAVESTO-UHFFFAOYSA-N 373.909 5.309 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(S[C@@H](C)C(=O)c4ccccc4)c23)C1 19646400 MOCUYYNLZOLDIE-STQMWFEESA-N 368.527 5.180 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)[C@H](C)c2ccccc2)n1 19690610 SMQKDHDRJLXLQD-NTKDMRAZSA-N 370.496 5.524 0 40 FKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 24107301 LYNICCCGMVWLGV-MRVPVSSYSA-N 362.615 5.192 0 40 FKAB C[C@@H](NCc1c(-c2ccccc2)nc2ccccn12)c1ccccc1Cl 24969782 SUITZTLUSMIZRI-MRXNPFEDSA-N 361.876 5.506 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 32992718 HUYYTSCFKMMDPZ-UHFFFAOYSA-N 372.440 5.638 0 40 FKAB C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@H]2CCCC[C@@H]21 40090655 JFHQWHIMTAPJKK-LZQZEXGQSA-N 372.509 5.074 0 40 FKAB CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccs1 57281310 CORGQUPUSWZLDY-UHFFFAOYSA-N 350.487 5.023 0 40 FKAB Cc1nnc(SCc2ccccc2)nc1/C=C/Nc1ccc(Cl)cc1 100104752 YUEJPHHBWTVRPU-VAWYXSNFSA-N 368.893 5.209 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc(C)c5C)(C4)C2)C3)cc1 100556583 UAKGXIBOBWUHHB-QJMPUOCTSA-N 373.540 6.089 0 40 FKAB Cc1ccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 102684558 SITHMOVLUSCACU-KBUPBQIOSA-N 352.305 5.098 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118915374 XIIAYQZJNBULGD-WKDDSVOISA-N 372.681 8.498 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(C)C)cc1 222547262 RXQSYBJOUVJRIB-QFIPXVFZSA-N 351.490 5.485 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCCOc2ccccc2)cc1C(C)C 223320190 DTCKFOPGIJRAMG-GOSISDBHSA-N 369.505 5.163 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)c2ccccc12 225844232 CTPUHFGHVMVONP-QHCPKHFHSA-N 371.521 5.943 0 40 FKAB Clc1ccc(COc2cccc(CNc3ccccc3Cl)c2)cc1 409180282 XSMJKGZPEQGQBE-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 860948 KXIUPGMVMLPKHS-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB O=C(c1ccc(Br)cc1)c1coc2c1cc(O)c1ccccc12 983965 GYQAQLGMPHRDFX-UHFFFAOYSA-N 367.198 5.285 0 40 FKAB O=C1O[C@H](c2ccc(Cl)cc2)C2(CCCCC2)C(=O)C12CCCCC2 2292915 IFJFQNCCKABWIA-QGZVFWFLSA-N 360.881 5.408 0 40 FKAB CCC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2403786 AIZLOILQFCLGCR-UHFFFAOYSA-N 368.480 6.004 0 40 FKAB Cc1cc(C)c(NC(=O)c2oc3ccc(Br)cc3c2C)c(C)c1 2644547 XWZARQXECSDWKZ-UHFFFAOYSA-N 372.262 5.681 0 40 FKAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 2752516 ZIVPHPNHBQZQIG-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB COc1cccc2cc(-c3nc(-c4ccc(C)cc4)c(C)s3)c(=O)oc12 2964190 NXBWEZQBAKUPGX-UHFFFAOYSA-N 363.438 5.209 0 40 FKAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)O1 3058486 ZOPSSVKNJXPOEG-VQTJNVASSA-N 370.876 5.811 0 40 FKAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 3262694 ZOJJTSFGTLXYMM-UHFFFAOYSA-N 359.208 5.186 0 40 FKAB Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2c(C)cccn12 3911576 ARZLSKCWKONZMG-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@@H](C)CC[C@@H]21 4026748 KPIXKDQLMOSNMI-IGYJXPFISA-N 368.561 7.167 0 40 FKAB biogenic c1ccc2sc(-c3ccc(-c4nc5ccccc5s4)s3)nc2c1 4174185 XKWQGJSPBYTEDH-UHFFFAOYSA-N 350.493 6.302 0 40 FKAB O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 4352974 OBLQVFHLHMHBKX-UHFFFAOYSA-N 362.472 6.294 0 40 FKAB CCCOc1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1 5547712 ZGKAMMQGWUYQAT-UHFFFAOYSA-N 372.468 5.549 0 40 FKAB O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)c1ccccc1-c1ccccc1 5667794 YJINZDHDINSFGD-XXBNENTESA-N 359.469 5.478 0 40 FKAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C1CCCCC1 12799647 BAXRUIMLCKSTPG-SFHVURJKSA-N 352.503 5.058 0 40 FKAB Clc1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1 13219483 XYFKWHBSFVHXNQ-UHFFFAOYSA-N 353.672 5.271 0 40 FKAB O=C(NCc1ccccc1F)N1c2ccccc2Sc2ccccc21 13574309 UBYBDDXPNCJQNC-UHFFFAOYSA-N 350.418 5.338 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1SCc1ccccc1 13676276 NLIJALFQRCACSI-KRWDZBQOSA-N 359.494 5.570 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 20488789 VEJFPDNMHCVHCV-LJQANCHMSA-N 373.374 5.655 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 30860198 RCYLPAOURIMCQG-RPWUZVMVSA-N 373.496 5.367 0 40 FKAB Cc1cccc(Oc2ccccc2NC(=O)CCC(=O)c2ccccc2)c1 32997800 CPOHVTTYFLCYQD-UHFFFAOYSA-N 359.425 5.389 0 40 FKAB Fc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Cl)cc1 33654678 LBNSMNXWODLJMQ-UHFFFAOYSA-N 363.885 5.220 0 40 FKAB CCn1c(S[C@H]2CCCc3ccccc32)nnc1-c1ccccc1OC 58196875 RUODGQBEBDWNNU-IBGZPJMESA-N 365.502 5.143 0 40 FKAB COc1ccc(Sc2ccc(NC(=O)c3cc(C)no3)cc2Cl)cc1 58426335 FXEJNKXRTGXFDF-UHFFFAOYSA-N 374.849 5.049 0 40 FKAB Cc1ccc(Cl)cc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760896 ONUIJPSOGLWRJK-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4CCC[C@@]4(C)[C@@H]3CC[C@@]21C 71775100 VOYKELMCSUDIBK-PFNGXAAASA-N 368.649 8.050 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)C 72214759 NXHFUQTVSOVQDV-GOSISDBHSA-N 361.530 5.169 0 40 FKAB CCN(CC)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1N 72229182 PJIUUPOVVMGNOL-UHFFFAOYSA-N 373.928 5.318 0 40 FKAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118926867 IYZAKBWNGQBORB-QREMAQNESA-N 360.538 5.168 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223492465 JUPIYJMMPUQLKS-TZIWHRDSSA-N 353.506 5.264 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Nc2cccc(Cl)c2)c2ccccc2O1 224377530 DSDFVRUIUHIICW-KRWDZBQOSA-N 358.869 5.544 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225545985 QEIGVRGXEPOLMZ-UHFFFAOYSA-N 369.480 5.764 0 40 FKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccccc2Cl)cc1 225567892 ONXRLZOKDRJFNL-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 408562627 QZYFTUVMNZXTSQ-XDOYNYLZSA-N 370.905 5.248 0 40 FKAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccccc1Cl 409062676 YUTOMKQXNNYRNE-PDGQHHTCSA-N 365.841 5.734 0 40 FKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1cccc(F)c1 409116280 IPWDPATZSHYBOF-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2c(CC)cccc2CC)cc1OCC 936330 MUADPRNSYQWURK-FYWRMAATSA-N 367.489 5.261 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2c(F)cccc2Cl)c(C)c1 1048661 PEQBLVRBZMQNNY-UHFFFAOYSA-N 351.874 5.276 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccccc4)c3n2)cc1 2203040 LXQITIJTCGZOIH-UHFFFAOYSA-N 367.374 5.699 0 40 FKAB Cc1cc(C)c(C)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 2415310 VHBUQZSJXVXXDN-UHFFFAOYSA-N 356.425 5.720 0 40 FKAB Cc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 2914977 HXCQGILEVSDEAZ-QFIPXVFZSA-N 355.416 5.540 0 40 FKAB CCOc1cc2c(cc1OCc1ccccc1)CCN(C)[C@@H]2CC(C)C 3847342 KQYDZTUSKUWWMV-OAQYLSRUSA-N 353.506 5.239 0 40 FKAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 4285633 VSVORUIMESBOHI-UEVCKROQSA-N 355.566 6.056 0 40 FKAB CCNc1cc(Nc2ccccc2)c2c3c(onc13)[C@@H]1CCCC[C@@H]1C2=O 4624056 JGAOFCXXZCNXHP-LSDHHAIUSA-N 361.445 5.473 0 40 FKAB Cc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3cccs3)[C@@H]1CO2 4648766 PSPPFAHPWJTIJI-VFNWGFHPSA-N 363.507 6.033 0 40 FKAB C[C@H](c1ccco1)N(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 4869243 OCHIYKNIYAPIOY-CYBMUJFWSA-N 360.335 5.101 0 40 FKAB Cc1cc(NC(=O)c2ccccc2)ccc1-c1cc2ccccc2oc1=O 5541262 SMGQRPOQHUHNQN-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB c1ccc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5743101 JQIGGFFHBSPTIB-UHFFFAOYSA-N 364.488 6.238 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 6243128 PELLAOMBLZLGEK-OAHLLOKOSA-N 354.519 5.450 0 40 FKAB CCCCOc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 6399270 ODBPDZSJDLZBOB-XNTDXEJSSA-N 359.494 6.799 0 40 FKAB CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](C)C2 6455247 ATOHLLCSLHUYIC-GFCCVEGCSA-N 370.543 5.744 0 40 FKAB CC(C)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 6883560 HRPLNKRGSKJALP-UHFFFAOYSA-N 372.723 5.971 0 40 FKAB O=C(NCCCc1ccccc1)c1ccccc1SCc1ccccc1 7684812 UNTXLQCIUVHAGW-UHFFFAOYSA-N 361.510 5.342 0 40 FKAB CCOc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 12636526 NZFRXZMGLGXIPA-UHFFFAOYSA-N 359.856 6.621 0 40 FKAB CCOc1ccccc1-c1nnc(SCc2nc3ccccc3s2)o1 12914015 AUDSHYHQNPPTRD-UHFFFAOYSA-N 369.471 5.037 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)c(F)c3)s2)cc1 12998034 FZBNZSPDGHGJJW-UHFFFAOYSA-N 370.449 5.039 0 40 FKAB O=C(Nc1ccccc1Br)c1cccc2c(Cl)cccc12 14258225 PUIRTELYHKHKIH-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Oc1ccccc1 20044318 VWWXMADHFHOVDZ-NRFANRHFSA-N 361.441 5.583 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1Cl 22514933 NYNPAHYWXDHZQK-INIZCTEOSA-N 352.261 5.406 0 40 FKAB Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 27663567 GMXNCMNXIFGRHZ-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB Cc1csc([C@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2Cl)n1 69323947 JYTNIJLVRYJMIG-OAHLLOKOSA-N 369.317 5.055 0 40 FKAB Cc1cc(F)ccc1NC(=S)Nc1ccc(OCc2ccccc2)cc1 71761139 BOSQYKNXZMZSLV-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB Cc1ccc(C[C@H]2Nc3c(-c4ccc(C)cc4)csc3C(=O)N2C)cc1 98212067 FBTMEQMVJJTDTC-IBGZPJMESA-N 362.498 5.098 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNc2ccccc2)cc1 107039354 XHBNIPUQFQIGJH-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1 113933140 DKMGVKKFKSBZHZ-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 223211938 VFOWMDRKWNUMSF-CQSZACIVSA-N 365.395 5.543 0 40 FKAB C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2 223256623 IGVQDIGQWMSAAE-CYBMUJFWSA-N 362.300 5.292 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C 223503114 MSLULVXMSLQUEQ-OAHLLOKOSA-N 364.316 5.729 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 224961859 IYTJFPYGLWEJRJ-GOSISDBHSA-N 374.484 5.236 0 40 FKAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Sc1ccccc1 225110688 QBUFQTBQLISXDQ-FQEVSTJZSA-N 350.439 5.267 0 40 FKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1F 225389737 KKRDFMVIMWYASP-UHFFFAOYSA-N 371.795 5.532 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225756401 ZBUYMYNIENUOES-UHFFFAOYSA-N 359.469 5.689 0 40 FKAB COc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc23)cc1C(C)C 225794710 ZNBKPHZEHFHMIB-UHFFFAOYSA-N 369.486 5.081 0 40 FKAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 226269237 IOTNIFDIKWUXEA-UHFFFAOYSA-N 370.330 5.173 0 40 FKAB CC(C)(C)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 226342725 CIARDMHIHWRRQU-UHFFFAOYSA-N 363.686 5.943 0 40 FKAB CCO[C@]1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCC[C@H](C)C1 260817046 VOUFRAKWUHMVCS-QXATTWAWSA-N 361.526 5.405 0 40 FKAB Fc1ccc(Cc2ccc([C@@H]3CCCN(CCc4ccccc4)C3)nc2)cc1 585176605 CBAMNQNDQAZHOH-HSZRJFAPSA-N 374.503 5.234 0 40 FKAB Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c1 691588 WPDGLZOYJQSZIF-UHFFFAOYSA-N 365.502 5.098 0 40 FKAB O=C(Cc1cccs1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 693084 NCJROYQLOHRYHO-UHFFFAOYSA-N 368.845 5.391 0 40 FKAB Cc1cc(C)cc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c1 1015464 CDVAGFPZHTTWHM-NSQNTRMNSA-N 353.465 5.539 0 40 FKAB Cc1nc(-c2cccnc2)sc1[C@H](C)OC(=O)Nc1cccc(Cl)c1 1394800 NDEXCRXOQDRQLN-LBPRGKRZSA-N 373.865 5.477 0 40 FKAB Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1Cl 2790635 LTYBJPKKIKLUIG-UHFFFAOYSA-N 352.261 5.408 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl 3246712 DZEVJPCMBCGHAJ-UHFFFAOYSA-N 354.808 5.432 0 40 FKAB Cc1ccc2nc(-c3c(F)cccc3Cl)c(Nc3ccccc3C)n2c1 3911589 COJCZBKFYISKJY-UHFFFAOYSA-N 365.839 6.154 0 40 FKAB CCCCc1c(O)c2c(n(-c3ccccc3)c1=O)[C@]1(C)CC[C@H]2C1(C)C 4114537 JLHXBMHJBVXVAG-HXOBKFHXSA-N 351.490 5.061 0 40 FKAB Cc1cccc(-n2c(/C=C/c3ccccc3Cl)nc3ccccc3c2=O)c1 4310785 NETFGNOWNYMHMH-BUHFOSPRSA-N 372.855 5.518 0 40 FKAB O=C(c1ccccc1F)c1cn(Cc2ccccc2Cl)c2ccccc12 4704959 ZWOYTLFSKNDORL-UHFFFAOYSA-N 363.819 5.713 0 40 FKAB CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4794416 HCVTXESBLPDBRY-OEOAZWSVSA-N 370.496 5.915 0 40 FKAB CC1=CC(C)(C)Nc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc21 4817334 QVHDSPCPBFPLMK-UHFFFAOYSA-N 351.490 5.416 0 40 FKAB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1ccccc1 5051561 AREWYFQSTUYIHY-UHFFFAOYSA-N 363.420 5.407 0 40 FKAB Fc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5462208 JNZGJCKYOYGQOC-CTNGQTDRSA-N 361.395 5.461 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(Cl)cc2)o1 6882634 QRBSCOZNNJZJPI-UHFFFAOYSA-N 365.738 5.871 0 40 FKAB Clc1ccc2nc(-c3ccccc3Cl)cc(-c3ccccc3)c2c1 7846904 ZOHXNAXXODRUBJ-UHFFFAOYSA-N 350.248 6.876 0 40 FKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1ccccn1 8814615 CVRVYDNIUVWGBQ-UHFFFAOYSA-N 364.857 5.395 0 40 FKAB C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 10111743 YTMWVVCIYXRZQO-LTXFRBGYSA-N 363.545 6.172 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccncc2)nc2ccccc12 12602534 YWVROUOKWLLYSM-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB Cc1ccc([C@@H](N[C@@H](C)C(=O)c2c[nH]c3ccccc23)c2cccs2)cc1 12751773 AZEJPUFFFZCHBC-KSFYIVLOSA-N 374.509 5.488 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12790223 KDTAPROJFVSWTM-UHFFFAOYSA-N 368.868 5.104 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cccc(OCc2csc(C)n2)c1 14093718 XYMCQFIAURUZPT-UHFFFAOYSA-N 366.486 5.154 0 40 FKAB CN(C(=O)/C(=C/c1ccccc1Cl)c1ccccc1)C1CCCCC1 20454662 VDCSNXXPIPALCN-CAPFRKAQSA-N 353.893 5.672 0 40 FKAB O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1nc(Cl)ccc1Cl 25933411 RTNSMYZWYIMOFP-UHFFFAOYSA-N 374.227 5.173 0 40 FKAB Cc1cccc(CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 33672269 GFTRICKZPOFDAZ-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCCN(C(=O)[C@H]1CC=CCC1)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 40150686 BXKPEVPFNLVXDL-MOPGFXCFSA-N 366.505 5.081 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 85397233 LIAJSTMEKOKIAK-UXBLZVDNSA-N 351.229 5.149 0 40 FKAB O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC[C@@H]1/C=C/c1ccccc1 95468511 PSCSPVFKPQTDRO-YRVHBARZSA-N 373.456 5.415 0 40 FKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)n1 170569249 LTNWOYDBZFPGSZ-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219379076 XRAAVCKTVMFJOK-RTWAWAEBSA-N 353.506 5.345 0 40 FKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)C1 222791956 CLCOTEVULRXDQX-LJQANCHMSA-N 372.512 5.002 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2cc3ccccc3o2)cc1C(C)C 223355870 LHXILUGNNXOQLI-OAHLLOKOSA-N 351.446 5.364 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C 224096395 SVDQEDNYTJTFTG-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957937 FQDKJXSQNRQOQX-CYBMUJFWSA-N 354.837 5.190 0 40 FKAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Sc1ccc(Cl)cc1 225092211 DXFZURXMZNFHMJ-AWEZNQCLSA-N 361.677 5.435 0 40 FKAB Cc1ccc(S[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1 225110784 ZKSJFXPCPPMMIP-OAQYLSRUSA-N 364.466 5.575 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 225305044 IQONQZLNLHAOMM-UHFFFAOYSA-N 367.901 6.063 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)c(C)c1 225478396 QAFDAYZWVGLAMH-KRWDZBQOSA-N 368.546 5.672 0 40 FKAB CC[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(OC)c(C)c1 225818107 UXFDHXKIZREPON-FQEVSTJZSA-N 373.452 5.784 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1C 225843289 KMSZQDQNKFYRRH-UHFFFAOYSA-N 352.547 5.535 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cn1 225870032 QBQKIRFRLACAPL-UHFFFAOYSA-N 372.896 5.364 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc12 225940935 BLCFTUZFIXEKCU-UHFFFAOYSA-N 351.833 5.172 0 40 FKAB CC[C@@H](C)n1ncc(NC(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c1C 332195420 YOXOQXFZOIFFRT-QGZVFWFLSA-N 366.509 5.101 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408620517 GXXMYPMSVXKJAG-UHFFFAOYSA-N 371.786 5.790 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)c(C)c1 409118453 QGUGIWQTVDMEGV-UHFFFAOYSA-N 361.441 5.193 0 40 FKAB CC(C)c1nc2cc(NC(=O)c3cccc(Oc4ccncc4)c3)ccc2o1 522144508 NFGQQTXGRLMAGB-UHFFFAOYSA-N 373.412 5.391 0 40 FKAB O=C(c1ccccc1)[C@@H](Sc1cccc2cccnc12)c1ccccc1 644996 WXWVWLKCEREGRF-QHCPKHFHSA-N 355.462 5.951 0 40 FKAB CCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccc(C)cc2)cs1 932660 JWWNNRIOXNFHHV-UHFFFAOYSA-N 356.878 5.439 0 40 FKAB CC(C)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 1047558 VGKUBQPCYTUYTO-UHFFFAOYSA-N 373.543 5.306 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(F)c(Cl)c1 2083949 SQUAOABLJYMSOD-UHFFFAOYSA-N 356.224 5.239 0 40 FKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 2254546 BDMRTIBYIQWGOT-UHFFFAOYSA-N 370.543 5.074 0 40 FKAB CCc1ccccc1-n1sc2c(c1=S)-c1cccc(C)c1NC2(C)C 2280124 TZQKZMJCXBIJNW-UHFFFAOYSA-N 366.555 6.467 0 40 FKAB FC(F)(F)c1cccc(Sc2nc3ccccc3nc2C(F)(F)F)c1 3134548 KQNILGXGDIEKNH-UHFFFAOYSA-N 374.309 5.819 0 40 FKAB CCCCc1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 4137715 PJPAJEVNEMKMBR-UHFFFAOYSA-N 369.515 6.001 0 40 FKAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 4699844 DWJUBDBHYCZDKS-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB COc1cccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(F)cc23)c1 4970300 OLWNWZVNUKQBBO-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 6288811 WKZONXGMWPUXFE-NSHDSACASA-N 357.759 5.073 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 8493924 WZVSSTOHYYWLSH-HNNXBMFYSA-N 357.759 5.155 0 40 FKAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@H]([C@@H](C)O)[C@@]4(C)CC[C@H]32)C1 8635194 ICYUGIVDALUVGV-KSZMTJORSA-N 360.582 5.621 0 40 FKAB C/C(=N\NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=C(CC[C@@H]32)C(C)(C)CC4)C1 13408737 IYDBAKSZTCQSKT-VMCNVICUSA-N 369.553 5.310 0 40 FKAB c1ccc([C@@H]2C[C@@H](c3ccccc3)[C@@H]3CCCc4c3n2c2ccccc42)cc1 13563570 FHODAKNLNSDHSR-GNKBHMEESA-N 363.504 6.838 0 40 FKAB CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)Oc1ccccc1 13849848 DMTVNRPVBDJUAZ-AWEZNQCLSA-N 373.909 5.384 0 40 FKAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(C)cc2)c2ccccc2)cc1 20108194 YSFMZYKTHXVHMK-QUESDIRFSA-N 371.480 5.422 0 40 FKAB CCc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 27584627 LZUKDLLWLVXNQQ-UHFFFAOYSA-N 350.849 5.144 0 40 FKAB Cc1c(C(=O)N(Cc2cccs2)c2ccccn2)oc2ccc(F)cc12 27995062 GHMWFUIALDHJRT-UHFFFAOYSA-N 366.417 5.184 0 40 FKAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc4c(s3)CCCC4)n2)c1 32992677 DSANMRAXIAVULW-UHFFFAOYSA-N 368.527 5.620 0 40 FKAB Cc1cc(C)cc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc23)c1 44169596 GBOUBVCDQFYMIH-UHFFFAOYSA-N 359.473 5.221 0 40 FKAB C[C@H](CC(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1 58161575 KFWPKKMSWCBNTJ-IVZQSRNASA-N 367.395 5.186 0 40 FKAB O=C(NCCc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 59244670 HROBXMAIRRPKHJ-UHFFFAOYSA-N 364.445 5.381 0 40 FKAB C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)[C@H](O)CC2(C)C 65742808 WTWGVKDCAJSUBZ-OAQYLSRUSA-N 364.485 5.075 0 40 FKAB in-vitro O=C(O)CCCCCCCCCCCN(c1ccccc1)c1ccccn1 95836925 BYZOMNOSLMHVAS-UHFFFAOYSA-N 368.521 6.205 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1cccc2[nH]ccc12 96116071 MHRMIGYZWJVKLQ-SFHVURJKSA-N 363.848 5.110 0 40 FKAB biogenic CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C 216250551 PJWNPLVMAGAQEI-LJQANCHMSA-N 353.849 5.598 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(F)cc1 216354731 DMTXSHRWWFQWKQ-YWZLYKJASA-N 351.421 5.014 0 40 FKAB CC[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1C 218987993 XLURNQHSFUUXCL-QHCPKHFHSA-N 373.496 5.764 0 40 FKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1CSc1ccccc1 224655176 GIXMHUKGOCETBT-UHFFFAOYSA-N 369.530 5.394 0 40 FKAB CCc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 224852584 JHLUKQKKWNZOAH-SFHVURJKSA-N 359.469 5.319 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3)s2)cc1 225364432 ZWVSEPPHXFPSDS-SDNWHVSQSA-N 363.486 5.155 0 40 FKAB FC(F)(F)c1cc(NC(=S)NCCCc2ccccc2)ccc1Cl 225384816 OQVWJVPJVGLAIV-UHFFFAOYSA-N 372.843 5.278 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1 225734995 NIEKAPPMIOBGRE-DENIHFKCSA-N 367.533 5.770 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2cccc(Cl)c2oc1=O 226039596 ZVCFIKARURKKCL-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB Cc1cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)ccc1Br 226248128 UIZBPGVXDUJKPA-UHFFFAOYSA-N 367.246 5.665 0 40 FKAB COc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409114585 HOIHWCYZSWJNSG-UHFFFAOYSA-N 374.267 6.406 0 40 FKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C(=O)OC 2060996996 YUPOQDJDFWWCKO-CKDYJQHLSA-N 368.561 7.194 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 864705 SPEKANOPHKLZTM-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(CSc2ncnc3c(-c4cccs4)nsc23)cc1 1358726 LDAHOTXXSQBOHQ-UHFFFAOYSA-N 355.513 5.416 0 40 FKAB Cc1cccc(CSc2ncnc3scc(-c4ccc(F)cc4)c23)c1 1915572 BWURWEAFGLGPMM-UHFFFAOYSA-N 366.486 6.098 0 40 FKAB COc1cccc(-c2nc(N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)c1O 2263886 VSMOWZPIDRUSGX-WMLDXEAASA-N 363.461 5.002 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 2919405 SROIRMSKGBQSJU-RBUKOAKNSA-N 352.869 5.201 0 40 FKAB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccccc1Cl 3114510 MJAJZXNKNBOGDN-UHFFFAOYSA-N 367.235 5.360 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 4506159 UMPKMEBLHNHAIG-SOFGYWHQSA-N 360.162 5.664 0 40 FKAB CCc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1 5192014 FYTAYQWBKPRGPT-UHFFFAOYSA-N 354.500 5.103 0 40 FKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 5219591 TWFRILUTZSKQGL-JTHBVZDNSA-N 374.415 5.077 0 40 FKAB Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 5960496 FYLZUBDGVFDFRB-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB CCN(C(=O)Nc1ccccc1)[C@H](C)Cc1cccc(C(F)(F)F)c1 6462976 RVQVZUDZTKEEIF-CQSZACIVSA-N 350.384 5.190 0 40 FKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 6554866 AQKQOYLGESGURL-LLVKDONJSA-N 360.866 5.379 0 40 FKAB C[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 7988881 PUFBJUUNYZQNHV-GOSISDBHSA-N 367.452 5.030 0 40 FKAB Cc1cccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)c1 9935838 XFSQDMRPLKLGOU-HNNXBMFYSA-N 363.848 5.095 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NC(c1ccccc1)c1ccccc1 11637262 SQWFNMQRSUQNLB-HSZRJFAPSA-N 373.496 5.367 0 40 FKAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)cc1 12567200 AHVOQKOWYIGJGT-IBGZPJMESA-N 358.869 5.498 0 40 FKAB Cc1ccc(C)c([C@H](C)CCC(=O)NCCc2c[nH]c3c(C)cccc23)c1 13942991 NQZVDWVUDKKNKL-GOSISDBHSA-N 362.517 5.336 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2ccc(F)cc2Cl)c1 15492334 BJGFEHBJBZERNC-ZDUSSCGKSA-N 351.874 5.356 0 40 FKAB Cc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 19328433 RBBBKWBGJZJJBA-UHFFFAOYSA-N 356.513 5.402 0 40 FKAB FC(F)(F)c1cc(-c2ccco2)nc(SCc2ccccc2Cl)n1 20120549 XCVGKCKKVDYOQM-UHFFFAOYSA-N 370.783 5.701 0 40 FKAB Cc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c(C)c1 22237684 XLJPZPHSVCXWFK-UHFFFAOYSA-N 351.475 5.089 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 30860909 SZSJSLIFWYCYEV-UPVQGACJSA-N 373.496 5.367 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(Cl)c1 30867268 STDXFQODRIDZJC-INIZCTEOSA-N 354.302 5.811 0 40 FKAB Cc1ccc(Oc2ccccc2NC(=O)CCn2cnc3ccccc32)cc1 31296415 CAGXJDNHVRJRKM-UHFFFAOYSA-N 371.440 5.166 0 40 FKAB Fc1ccc(-c2csc(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 33298182 XAWLNIHHGZDKGT-UHFFFAOYSA-N 371.824 5.243 0 40 FKAB CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215347 AQQBBTLALCOZEA-IBGZPJMESA-N 373.541 5.313 0 40 FKAB FC(F)(F)c1cc(NCCCn2ccc3ccccc32)c2ccccc2n1 89873271 AFGVXRHYTBLFPN-UHFFFAOYSA-N 369.390 5.711 0 40 FKAB O=C(O)CS/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 97994591 SJXDQMWDPIXDIZ-OQLLNIDSSA-N 361.875 5.266 0 40 FKAB C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 222946785 KXZDFMPRALSAPF-GOSISDBHSA-N 362.517 5.047 0 40 FKAB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C(C)(C)C)cc1 225015701 RTFDFGHDRLJZHW-KRWDZBQOSA-N 365.517 5.119 0 40 FKAB CC(C)Oc1cccc(CNC(=O)CCc2c(Cl)cccc2Cl)c1 225358625 YBRUDJPQGWNRJX-UHFFFAOYSA-N 366.288 5.030 0 40 FKAB O=C(c1ccc2c(c1)oc1ccccc12)c1ccccc1Br 226296556 YAEOXPSZJXJIEB-UHFFFAOYSA-N 351.199 5.580 0 40 FKAB CCOc1cc(COc2ccccc2C=O)ccc1OCc1ccccc1 408540411 RJIQWLCLEXXNGN-UHFFFAOYSA-N 362.425 5.056 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)c(C)c1 409109997 PDYFNJSSUFYEOL-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC1=Nc2ccccc2Nc2c1c(-c1ccccc1)nn2-c1ccccc1 409379532 XKZUTVCMVLFFIF-UHFFFAOYSA-N 350.425 5.737 0 40 FKAB Fc1ccc(OCCCN2CCCCC2)c(Oc2cccc(Cl)c2)c1 585266224 QBQHQINNBIUMPL-UHFFFAOYSA-N 363.860 5.526 0 40 FKAB CC(=O)[C@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 888089107 HVHYRVHDTSSVNF-RGEGXMLJSA-N 368.561 5.462 0 40 FKAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 632992 CDRBYJBEFLCXTI-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc2ccccc2c1 691781 TWUQBRMAVDWXHC-IBGZPJMESA-N 362.454 5.490 0 40 FKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 1023590 KXKWGUOBESJNJC-OJVSJSBUSA-N 367.492 5.949 0 40 FKAB Cn1c(-c2ccccc2)c2c(=O)oc3ccccc3c2c1-c1ccccc1 1557249 ULLYNBARSKUEKY-UHFFFAOYSA-N 351.405 5.619 0 40 FKAB Cc1cc(C)c(SC(Sc2c(C)cc(C)cc2C)=S=O)c(C)c1 2077463 FWYSVELVBOTFIE-UHFFFAOYSA-N 362.585 5.722 0 40 FKAB CCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2442060 BXQUPZLNYQGSLH-UHFFFAOYSA-N 371.271 5.753 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(SC(F)F)cc1 2632362 QAGFAPIWECLISB-UHFFFAOYSA-N 371.836 5.451 0 40 FKAB Clc1ccc(Sc2ncccc2-c2nc3ccccc3s2)cc1 3134177 DRIALOWUFYXVSY-UHFFFAOYSA-N 354.887 6.163 0 40 FKAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 3900551 XOAZWSVWXUNKAB-UHFFFAOYSA-N 352.478 5.221 0 40 FKAB Fc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(Cl)cc3)=NN2)cc1 4130024 UTCPLTZYWGTKII-UHFFFAOYSA-N 367.786 5.052 0 40 FKAB CC(C)c1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 4857461 GIEDTGGJPSTUSR-IDUWFGFVSA-N 361.775 5.086 0 40 FKAB CCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 4858111 GCGGCHHSIQHIBU-HSZRJFAPSA-N 357.497 5.866 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 4898347 WPGSJVUKSMYCJB-DOEPBTEJSA-N 357.497 5.232 0 40 FKAB Cc1ccc([S@](=O)Cc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 5218309 OECNWAKUCUMYCF-MHZLTWQESA-N 374.461 5.280 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 5274716 LJLZIDAFRNZQGN-PXAZEXFGSA-N 374.937 5.407 0 40 FKAB C[C@H](Nc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 5699979 BCRAEWAVXXWURC-ZDUSSCGKSA-N 369.262 5.041 0 40 FKAB C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)C12CC3CC(CC(C3)C1)C2 6086771 UYHAPKNBZVVSKN-SBNSQYLKSA-N 374.480 6.139 0 40 FKAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 6343300 YPBYFWARJAXVDL-OAHLLOKOSA-N 367.851 5.566 0 40 FKAB Cc1ccc(NC(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc1Cl 6585899 NVMCMKZHVYFPSY-UHFFFAOYSA-N 355.821 5.884 0 40 FKAB CCSc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 7572885 JGLXRRXHFDAFGZ-UHFFFAOYSA-N 354.500 5.483 0 40 FKAB CCc1sc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1C 8394811 AHARMACPNOHAJM-UHFFFAOYSA-N 357.460 5.102 0 40 FKAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 10110859 ZENGIWVYODCFEK-SAPNQHFASA-N 365.517 5.145 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10276475 RGKGVDKVIMFNSZ-HUUCEWRRSA-N 359.897 5.282 0 40 FKAB COc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)[nH]1 10475537 JJCJZSQKDPECJC-UHFFFAOYSA-N 366.273 5.079 0 40 FKAB C[C@@]12CC3CC(CC(=O)NCC45CC6CC(CC(C6)C4)C5)(C1)C[C@](C)(C3)C2 12402564 YNNLROITLYFBAR-FXFUYYDVSA-N 369.593 5.706 0 40 FKAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cc(Cl)sc1Cl 12691160 RJRDXBVTVQQTBQ-UHFFFAOYSA-N 362.237 6.207 0 40 FKAB COc1ccc(C)cc1[C@@H](C)Nc1nc(-c2ccncc2)nc2ccccc12 12808149 WPWMACWYLFEDIQ-MRXNPFEDSA-N 370.456 5.182 0 40 FKAB COc1ccc(-c2nc(C(=O)Nc3ccccc3C(C)C)cs2)cc1 19198635 SUDYIIFUHUSIOM-UHFFFAOYSA-N 352.459 5.194 0 40 FKAB Cc1ccc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)cc1C 19974121 SEHBJVARDDTRCS-UHFFFAOYSA-N 369.512 5.030 0 40 FKAB c1ccc(SCc2nc3ccccc3nc2CSc2ccccc2)cc1 20031090 HAFGYPKNUCYRAC-UHFFFAOYSA-N 374.534 6.214 0 40 FKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27716072 ACKIMFUPMAASSZ-SVTKOXTGSA-N 362.598 5.415 0 40 FKAB COc1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ccc(C)cn23)c1 35616222 UKSZBDABFYTHAZ-UHFFFAOYSA-N 372.472 5.128 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351370 FOKPYENGINXGBC-WZONZLPQSA-N 361.485 5.491 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 59351488 YQSKYLFQURIEJW-ROUUACIJSA-N 353.506 5.246 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](C1CCCCC1)C2=O 118927115 UJSMXKNMJUHGOA-CYOMTBHXSA-N 370.577 5.686 0 40 FKAB Cc1ccsc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215187921 XYOZJDROJXKUCI-VGOFMYFVSA-N 367.854 5.086 0 40 FKAB Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 219850309 RBMZSTBUJOCICQ-UHFFFAOYSA-N 363.288 5.157 0 40 FKAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1Cl 224531272 NNDWKTWLBJEBQY-KRWDZBQOSA-N 373.880 5.079 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1C 225714291 RVFLNZRDOYAMBL-KRWDZBQOSA-N 366.452 5.760 0 40 FKAB O=C(Nc1cccc2ccccc12)c1snnc1-c1ccc(Cl)cc1 225769627 WNMOHQAAIIQLQK-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@H](C)C1 225833822 VNDFLKZFVOKEKA-SBUREZEXSA-N 369.505 5.551 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253617617 ZKGCEXPUCJDWMB-CIOUMCDNSA-N 374.565 5.715 0 40 FKAB O=C(Cc1ccccc1)N1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1 257200302 ACUQAFFALUGRON-HSZRJFAPSA-N 374.459 5.184 0 40 FKAB CC(=O)N[C@@]1(C)C[C@H](c2ccc3ccccc3c2)O[C@@H]2C[C@H](C)CC[C@H]21 257255227 KGQJWZLFWSRHNX-XTSSOZKMSA-N 351.490 5.001 0 40 FKAB COc1ccc(-c2[nH]c(=Nc3cc(Cl)cc(Cl)c3)sc2C)cc1 409045531 YZOQYZNYNVUJKN-UHFFFAOYSA-N 365.285 5.599 0 40 FKAB Cc1ccc(COc2ccc3ccccc3c2CNc2cccc(C)c2)cc1 409110639 FOSTVNCMDNWNAR-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Cc1ccc(C)c(NCc2cccc(OCc3cccc4ccccc34)c2)c1 409116813 MSVDNFNQQCRTGQ-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 409117701 MBNBIPTVMZUQAQ-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB COc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 863634 URXLXWUUPNCDBU-UHFFFAOYSA-N 373.481 5.235 0 40 FKAB Cc1sc2nc(C3CC3)nc(SCC(=O)c3ccc(F)cc3)c2c1C 1377409 HBVSIWLFHXTELF-UHFFFAOYSA-N 372.490 5.300 0 40 FKAB Cc1c2occ(-c3ccc(F)cc3)c2cc2c3c(c(=O)oc12)CCCCC3 2094507 ICCZCGYXKVQPEF-UHFFFAOYSA-N 362.400 5.923 0 40 FKAB biogenic CCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2441213 ZGSGOVNGHUIZGG-UHFFFAOYSA-N 358.489 5.744 0 40 FKAB CC(C)c1ccc(NC(=S)Nc2cc(Cl)c(N)c(Cl)c2)cc1 3310164 GVDZNARTWPLEKT-UHFFFAOYSA-N 354.306 5.508 0 40 FKAB O=C(OCc1nc2ccccc2s1)c1ccccc1Nc1ccccc1 3378034 WZNDTYASZUOXJD-UHFFFAOYSA-N 360.438 5.397 0 40 FKAB O=C(Nc1nc(-c2ccccn2)cs1)c1sc2ccccc2c1Cl 4063152 OAQUNTHHTGPGOR-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1C 4849275 VNQGQEMBZIMOQL-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 5478305 MGPOURXUKJJFNT-UHFFFAOYSA-N 351.519 5.380 0 40 FKAB CSC1=Nc2ccccc2S[C@H](c2ccccc2)[C@H]1c1ccccc1 5519065 DHHILVGNVAZUMP-NHCUHLMSSA-N 361.535 6.710 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1S(=O)(=O)c1ccccc1 5881540 HBBRMPALSWJBQJ-UHFFFAOYSA-N 359.450 5.043 0 40 FKAB CCCOc1ccc(/C=C/c2nc3cc(C)c(C)cc3s2)cc1OC 6431436 GFPUKHAYVSKZHX-VQHVLOKHSA-N 353.487 5.881 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 6629549 DOACSBZORRJXGO-GZTJUZNOSA-N 374.893 5.194 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@H]21 7097292 MCAWNCKKIGGCPS-XLNZFTOWSA-N 367.448 5.878 0 40 FKAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(C(C)(C)C)cc1 7904188 WMVRPYRCEOUPSI-ZDUSSCGKSA-N 369.534 5.151 0 40 FKAB CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1 8254654 RFVBQYFGJRBPRD-UHFFFAOYSA-N 365.448 5.093 0 40 FKAB COc1cc(C)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1C(C)C 8333716 SMMIRKDDRFNRCJ-OESWBVNESA-N 374.550 5.216 0 40 FKAB C[C@@H](Sc1nc2ccccc2o1)C(=O)n1c2ccccc2c2ccccc21 10381928 BJNLAGAXKKOFFV-CQSZACIVSA-N 372.449 5.757 0 40 FKAB Cc1cccc(Oc2ccccc2NC(=O)/C=C/c2nc3ccccc3o2)c1 12910917 PQBHPPWLSMZTSS-BUHFOSPRSA-N 370.408 5.580 0 40 FKAB O=C(Cc1csc2c1C1CCN2CC1)C(c1ccccc1)c1ccccc1 12959603 WSYWNJBCQJAXPW-UHFFFAOYSA-N 373.521 5.389 0 40 FKAB CC(C)=CCC/C(C)=C\CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 14825436 GNMUGVNEWCZUAA-SGRLLCBQSA-N 366.501 6.591 0 40 FKAB endogenous,in-man COC1C[C@@H]2CC[C@H](C1)C2C(=O)N1c2ccccc2C=Cc2ccccc21 16194338 KWPDRIQPPFKLTA-MAODHWIISA-N 359.469 5.286 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 17072866 LFINJWTYBAZWIP-ZDUSSCGKSA-N 351.368 5.236 0 40 FKAB O=C(CCc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 24385781 NKAKGNYOXALFJL-GOSISDBHSA-N 368.477 5.122 0 40 FKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2OC)cc1 27793684 QEGUYDBLEUJEFN-UHFFFAOYSA-N 351.471 5.166 0 40 FKAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccccc1Cl 33394508 VUJITSXVRLSTPA-NPDFUIFFSA-N 370.861 5.002 0 40 FKAB Cc1c(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)oc2c(Cl)cccc12 48354875 QFPQORKFHMCTJW-QGZVFWFLSA-N 355.821 5.078 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1Sc1ccccc1 72217659 HUURPRZRAVZLKY-KRWDZBQOSA-N 356.491 5.305 0 40 FKAB C/C(=C\CN1C(=O)c2ccccc2[C@H]1O)c1ccc(C2CCCCC2)cc1 96319436 WOKJJVMFTIXPCZ-CZTSOZTGSA-N 361.485 5.285 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 98073088 RCKLPWDEVUKUHN-KRWDZBQOSA-N 373.452 5.059 0 40 FKAB C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12 115876743 VBPYIHPPRFXGAK-RDRICISKSA-N 369.386 5.749 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(Br)cc1 222658114 BXUDVUGVXKSJQS-UHFFFAOYSA-N 354.247 5.174 0 40 FKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3cccc4ccccc34)cc2)C1 222868524 GKCYFBJWPCXFBR-LJQANCHMSA-N 372.512 5.002 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 222873660 NBCLMVVHQXVXKW-QGZVFWFLSA-N 352.261 5.352 0 40 FKAB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223016823 UBBPIMLGEIOGQM-HXUWFJFHSA-N 373.949 5.578 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(C)c(C)c1 223032759 RXCKMEYUDHCIAK-LEWJYISDSA-N 373.924 5.690 0 40 FKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cc1C 225502721 KYJAHZZRJBMSBM-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225519439 HQMVPWLLDTZRDG-UHFFFAOYSA-N 355.453 5.311 0 40 FKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)n1 225917511 URTLCVBTDUZMKT-UHFFFAOYSA-N 360.461 5.213 0 40 FKAB Cc1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226342776 ZENUMPHXZWPVSZ-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](Cc3ccc(F)cc3)O[C@H]21 257317142 VINSRPYWGQWFMC-SLYNCCJLSA-N 356.437 5.084 0 40 FKAB Clc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)nn2)c(Cl)c1 329788161 UOICQSIWERGKBS-UHFFFAOYSA-N 372.042 5.214 0 40 FKAB Cc1ccc(N2CCO[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1505840471 MMICTTIMCPLGFS-HXUWFJFHSA-N 374.267 6.097 0 40 FKAB CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1294004 UILIFBHDJNTPGC-UHFFFAOYSA-N 373.547 5.326 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)OCC[C@H]1CC[C@H]2C[C@@H]1C2(C)C 1648529 WREMQSJLLUEZTM-VYDXJSESSA-N 350.886 5.033 0 40 FKAB Brc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1 2510056 VZEIYIPOCFGTPV-UHFFFAOYSA-N 351.203 5.319 0 40 FKAB C[C@@H]1CCCC[C@@H]1N(C(=O)c1ccccc1Cl)C1=NC(C)(C)CS1 3266684 QBUFMUTVTVOSTG-CJNGLKHVSA-N 364.942 5.242 0 40 FKAB CC(C)(C)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 3342120 DIQNQZQZGMREKT-UHFFFAOYSA-N 354.457 5.733 0 40 FKAB CCc1ccc(O[P@](C)(=O)Nc2ccccc2Br)cc1 4119555 IUVFTTGRYVHOQC-FQEVSTJZSA-N 354.184 5.325 0 40 FKAB CC(C)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 4438523 CYEPQGVXLXBRKU-UKILVPOCSA-N 368.480 5.879 0 40 FKAB COc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)nc3n2C)cc1 4678441 WIFUHTILTNXQRR-UHFFFAOYSA-N 372.255 5.322 0 40 FKAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccc(C)o3)C[C@@H]21 4715955 UYMSOSJLBQCYHU-PYGWLIJMSA-N 366.461 5.047 0 40 FKAB Cc1ccccc1N1CCN(c2c3c(nc4ccccc24)CCCCC3)CC1 4823133 YZFKSNWHDXQNNU-UHFFFAOYSA-N 371.528 5.139 0 40 FKAB Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)/C=C/c2ccccc2)cc1 4860247 OIBOAGVEYAIFRH-CQLKWFSRSA-N 366.464 5.386 0 40 FKAB CO[P@@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(Br)cc1 4897898 GXANEENDZKQGIC-WHGKXJBRSA-N 367.179 5.035 0 40 FKAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 4928758 BSQPXMKFUUFHOI-OAQYLSRUSA-N 359.473 5.074 0 40 FKAB COc1cccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)c1 4970276 FCFFCHFAIYJHLI-UHFFFAOYSA-N 351.409 5.249 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2CCC2CCCCC2)cc1 5235215 JMGKKOLLYHSODF-DTQAZKPQSA-N 360.501 6.186 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 5318814 IQAKKJBCTVKKJE-UHFFFAOYSA-N 363.848 6.112 0 40 FKAB CSc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 5498233 DZKCSGOURHCURK-UHFFFAOYSA-N 362.454 5.061 0 40 FKAB CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(-c3ccccc3)cc1)=NO2 5500183 HQGUCSYWCVEBFZ-VWLOTQADSA-N 368.480 5.602 0 40 FKAB COc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1Cl 6320123 ICBKGUXWKKFKTG-UHFFFAOYSA-N 373.843 5.607 0 40 FKAB c1ccc(Cc2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1 6579309 ZPVYWPITTIHRDR-UHFFFAOYSA-N 365.483 5.076 0 40 FKAB COc1ccc(C2=C[C@H](c3ccccc3)N3C(=N2)Nc2ccccc23)cc1 6887000 KXOFJDWDKOSCKH-JOCHJYFZSA-N 353.425 5.079 0 40 FKAB Clc1ccc(CSc2cc(-c3ccccc3)c3ccccc3n2)cc1 7191728 VGZKARPTLNNNLM-UHFFFAOYSA-N 361.897 6.848 0 40 FKAB CCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 7262327 AJZVFNWGDPTADA-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB FC(F)Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 8642862 WQDLGBXPAVFFCU-UHFFFAOYSA-N 362.379 6.012 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 12651239 KSFFEMFMNPUGKQ-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CCC[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 12821926 WRMPBQXCMXPCDT-CQSZACIVSA-N 350.231 5.111 0 40 FKAB COc1ccc([C@H]2C[C@@]23CCC[C@]2(C[C@@H]2c2ccc(OC)cc2)C3=O)cc1 15885465 POPRWUSLIHMTDH-KOVSNXQUSA-N 362.469 5.104 0 40 FKAB biogenic CCOc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19323955 DMQWLPGTJVYUCN-UHFFFAOYSA-N 372.512 5.102 0 40 FKAB Clc1ccc([C@@H](Nc2ccc(Cl)cn2)SC2=NCCS2)cc1 22027564 ZFFOPCBSSGIERY-AWEZNQCLSA-N 370.330 5.335 0 40 FKAB C[C@@H](CNc1ccc(C(F)(F)F)cn1)c1nc2ccccc2n1C(F)F 32855842 IWMFMOFJQSCSPY-JTQLQIEISA-N 370.325 5.061 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478273 PCUOXKMTLFLVAU-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB CN(Cc1ccccc1)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12 52518700 KRXKKZZBPXEEOS-UHFFFAOYSA-N 361.876 5.287 0 40 FKAB CCCCCn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 67258995 BJFRPGGUQQLZRB-UHFFFAOYSA-N 366.530 5.496 0 40 FKAB COc1ccc(C)cc1[C@@H]1CC(=O)[C@@]2(C=C1C)C(C)=N[C@@]1(C)CCCC[C@H]12 85408697 ZGEKFEQZCLSBIE-JIYUALFRSA-N 365.517 5.416 0 40 FKAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934649 ZFTMPARDUAODSX-GKJXHFJASA-N 360.538 5.024 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219379239 VGQMDLFSXIQZQJ-NHCUHLMSSA-N 353.506 5.345 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 223001113 XYEYJGONRIAPCT-FGZHOGPDSA-N 353.506 5.345 0 40 FKAB CC[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)CCCC2 223124860 DCOPJRTZCVBORT-RUZDIDTESA-N 371.524 5.919 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1F 223182853 OCTFYVXKCJJPFD-UHFFFAOYSA-N 352.114 5.404 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1C(C)C 223377663 DKLJGZMQWVBEIN-CYBMUJFWSA-N 363.860 5.411 0 40 FKAB Cc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)nc1 223995952 QGFQBEBJGGUACM-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1Cl 224132612 BAWCMNUUOWAXTJ-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1CSc1ccccc1 224323021 QWCZAMIEEWQIMK-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB CCOc1ccccc1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224978336 YZIHUFSAJVARSO-UHFFFAOYSA-N 373.496 5.044 0 40 FKAB CCc1cccc(CC)c1NC(=O)CCc1ccc(Cl)c(Cl)c1 225327306 DNNSAXTYDJBWNB-UHFFFAOYSA-N 350.289 5.690 0 40 FKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 225759316 NBACUJMCPPNNEY-UHFFFAOYSA-N 373.496 5.997 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 225883441 JVXHIUPBLIRGFH-NRFANRHFSA-N 353.506 5.401 0 40 FKAB CC(C)c1nc(CCC2CCCC2)c(C(=O)O)cc1-c1ccccc1F 257253540 JZIDHTYMKNGIFG-UHFFFAOYSA-N 355.453 5.832 0 40 FKAB Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(C)c1 408589270 ZWSPLOWFXBMJJI-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)c2c(OCC)cccc12 409118999 QVFFZWYNFMFNGK-JXAWBTAJSA-N 359.425 5.130 0 40 FKAB Cc1cccc2c1NC(C)(C)c1sn(-c3cccc(F)c3)c(=S)c1-2 654493 MRZDJRGRTBEBPT-UHFFFAOYSA-N 356.491 6.043 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 826194 HNPJQTXFJDZBQS-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)/C(Br)=C/c1ccccc1 955789 JYHYOGBFOFUXPN-ATVHPVEESA-N 358.279 5.493 0 40 FKAB CC[C@@H](O)C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(C)cc1 975682 LDAILEPIAICNNJ-WIYYLYMNSA-N 362.494 5.763 0 40 FKAB Cc1sc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1C 1004583 KKOAAESXSVPPSN-UHFFFAOYSA-N 357.788 5.724 0 40 FKAB CCN(Cc1ccccc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 1069146 ADXITUFABCHCQF-QFIPXVFZSA-N 361.510 5.569 0 40 FKAB CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccco1 1789051 GETWNQOWIDFJQQ-JOCHJYFZSA-N 371.521 5.635 0 40 FKAB biogenic c1ccc(Cc2ccc(Oc3ncnc4sc5c(c34)CCCC5)cc2)cc1 1895345 RQFWYNFVARPOSM-UHFFFAOYSA-N 372.493 5.953 0 40 FKAB CSc1nc(SCCc2ccccc2)c2c3c(sc2n1)CCCC3 2218564 WQBLUSCXAVXBPE-UHFFFAOYSA-N 372.584 5.627 0 40 FKAB Cc1cccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 2247034 RVJHEEJPNAAGOW-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1oc2ccc(Br)cc2c1C 2639702 AIPJZBLNMLWISA-UHFFFAOYSA-N 362.198 5.204 0 40 FKAB CC(C)C(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C(C)C)cc3)cc2)cc1 3073652 HCQBAXKYJQSZLH-UHFFFAOYSA-N 370.492 6.698 0 40 FKAB CC[C@H](C)c1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 3439005 DGIARQVCCBXDJT-SFHVURJKSA-N 372.464 5.693 0 40 FKAB Fc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3ccccc3)[C@H]1CO2 4592718 FOPDPYXTMDLFGK-JTSKRJEESA-N 361.441 5.802 0 40 FKAB Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCC[C@@H]2C)c1C 4748619 PHZVZDISHXLFIK-ZDUSSCGKSA-N 360.498 5.131 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1nccc(/C=C\c2ccc(Cl)cc2)n1 5121142 DLTXCRZUQNDKJW-OJNOIJSXSA-N 372.944 5.223 0 40 FKAB Cc1ccc(Oc2cc(Oc3ccc(C)cc3)nc(-c3ccccc3)n2)cc1 5541808 ARCNJSXEEDMMDM-UHFFFAOYSA-N 368.436 6.345 0 40 FKAB CCCCC[C@H](C)CNC1=NN=C(c2ccc(Cl)cc2Cl)CS1 6203572 VMAUMMRSXPPSQT-LBPRGKRZSA-N 372.365 5.606 0 40 FKAB COc1cc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc2cc1Cl 6306150 KFDDFKGLWSJXKO-UHFFFAOYSA-N 374.893 5.508 0 40 FKAB CCCCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 6591991 SAKAWZFLWRGZBF-UHFFFAOYSA-N 364.537 5.994 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(F)(F)F)c1 7654493 OHEPKOVABDDKGP-UHFFFAOYSA-N 358.363 5.052 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)oc2cc1C 10120311 HOLUJQMTRMEHCW-UHFFFAOYSA-N 374.415 5.181 0 40 FKAB C[C@@H](Sc1ccc(F)cc1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 14169376 XOSSUTHRBQMJGZ-SNVBAGLBSA-N 372.446 5.237 0 40 FKAB CCc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CC(C)C)cc1 15980632 VVFOALDTCQNMNM-FCQUAONHSA-N 350.531 5.976 0 40 FKAB CCCOc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 16044923 BXJPOFDUWKMKRB-NTCAYCPXSA-N 353.443 5.100 0 40 FKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 19690804 DQGNQPHKKHXQPL-XMMPIXPASA-N 370.496 5.267 0 40 FKAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCc2ccccc2C1 20238811 FFPVDNYEJZPTLD-UHFFFAOYSA-N 359.494 5.177 0 40 FKAB Cc1ccc(-c2nnc(CSC3=Nc4ccccc4CS3)o2)cc1 23172487 JMUQTPMWXVYGCW-UHFFFAOYSA-N 353.472 5.213 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-n2cccc2)ccc1Cl 32100375 IBBHRLPLTRMECM-UHFFFAOYSA-N 364.754 5.402 0 40 FKAB Cc1cccc(CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 33733658 CMXPKVDHGIRUKK-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB O=C(/C=C/c1ccccc1Br)N(Cc1ccco1)C1CCCC1 58421602 GKOGIANHZDBZNR-VAWYXSNFSA-N 374.278 5.027 0 40 FKAB Cc1c(-c2ccccc2)nn(-c2ccccc2)c1NC(=O)c1ccccc1 59382354 OCYFCFSXPHQKOT-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB O=C(O)c1ccc(Nc2ccnc3ccc(Oc4ccccc4)cc23)cc1 78401517 YGRYZFGDBNJCGM-UHFFFAOYSA-N 356.381 5.469 0 40 FKAB CC1=C(C)[C@@H]2c3c(C)c4c(c(C)c3[C@H]1C2C(C)C)[C@H]1C(C)=C(C)[C@H]4C1C(C)C 101010113 SZDIKDDEEMAREU-MEPSBQSWSA-N 374.612 7.909 0 40 FKAB C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 106013710 NDHOPVCXDQDCPC-IODBPXAYSA-N 357.497 5.072 0 40 FKAB Cc1cccc(CSc2nnc(NC(=O)c3ccc(C)cc3C)s2)c1 225058672 ADHOUDKDNWIVHM-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1-c1ccccc1 225519009 ITDJZEQZILBMOB-SFHVURJKSA-N 371.480 5.638 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225665574 SWAQUYDFJCLNTF-VGOFRKELSA-N 361.526 5.344 0 40 FKAB Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 225875920 VSTKSWIEEWFSQI-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccccc2)o1 226795065 CQTZQBNTJQMAMY-UHFFFAOYSA-N 358.850 5.034 0 40 FKAB COc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 408600735 FSSLYMOWNDVBEP-SYZQJQIISA-N 363.388 5.279 0 40 FKAB c1ccc(CCSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 409099988 SPRZSHNJGDSCLM-UHFFFAOYSA-N 357.482 5.269 0 40 FKAB Cc1ccc(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 682500 WRGGWGZFADLUMA-SFHVURJKSA-N 358.437 5.244 0 40 FKAB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)C(C)C)c3ccccc32)cc1 725674 FLVLTOHYQMUFEE-HSZRJFAPSA-N 351.490 5.173 0 40 FKAB Cc1ccccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 835141 AKELOBHDFPBHGB-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 863014 OQBDPLDAGNLKGR-UHFFFAOYSA-N 362.816 5.078 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 1514152 WZBZBHZGCSMTAU-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB COc1cc(C)c2cc(Cc3ccc4nc(OC)cc(C)c4c3)ccc2n1 1592014 XZDFJDDCTMCOPU-UHFFFAOYSA-N 358.441 5.008 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12 1729583 NDMBIFUYJMVNEJ-ZDUSSCGKSA-N 354.325 5.464 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 1929483 ZGEHSUMXAGDXNA-FPYGCLRLSA-N 360.162 5.664 0 40 FKAB CSc1ccc(CCC(=O)c2ccc(Br)cc2F)cc1 2516676 BMNPDSPRFKGLTN-UHFFFAOYSA-N 353.256 5.126 0 40 FKAB Cc1ccc(-n2c(SCCOC(C)C)nnc2-c2ccccc2)cc1C 2616035 GWCZFBSVRFUMDA-UHFFFAOYSA-N 367.518 5.068 0 40 FKAB Cc1ccc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1C 2649869 OYOOSRZILWSADW-XMMPIXPASA-N 371.505 6.501 0 40 FKAB CCOc1ccccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 3176970 KXLMAKBTBCYXCK-UHFFFAOYSA-N 364.392 5.971 0 40 FKAB CCOc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 3326590 WYGJHHAGANEKOL-UHFFFAOYSA-N 360.276 5.638 0 40 FKAB Fc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1 4302989 VWYYDLMFSOOCGX-RVDMUPIBSA-N 355.412 6.123 0 40 FKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccnc2)cc1 4365989 LDNXGGCTYOYUAZ-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Cn1c(-c2ccc(C(=O)c3ccccc3)o2)nc2ccc3ccccc3c21 4600252 UQZLKBILDVCWKE-UHFFFAOYSA-N 352.393 5.218 0 40 FKAB C[C@@]1(Cc2ccccc2)OC(=O)C(c2ccccc2)=C(c2ccccc2)O1 4659020 ODIFRBQFQZSYCR-DEOSSOPVSA-N 356.421 5.087 0 40 FKAB CC1=C(C)[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N(C(C)(C)C)C1=O 4699612 LUECEIKBSLLEMU-QFIPXVFZSA-N 358.485 5.853 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc(Cl)cc3)n2c1 4733505 UNQAOKBOHIZVGO-UHFFFAOYSA-N 374.296 6.422 0 40 FKAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3s2)c(Cl)c1 5034697 SMQRWXLAMXBUBT-UHFFFAOYSA-N 362.907 5.297 0 40 FKAB CCCCSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 5047332 VPYJHLNYROCWEV-UHFFFAOYSA-N 356.516 5.749 0 40 FKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5516493 SEJBCVKLMNFNIT-UHFFFAOYSA-N 370.500 6.099 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Cl 5874048 NXUYUMZGDRMJAW-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB c1ccc(-c2ccc(C3=Nn4c(nnc4C4CCCCC4)SC3)cc2)cc1 6767982 DFAMULREJKUFNP-UHFFFAOYSA-N 374.513 5.351 0 40 FKAB O=C(Oc1cc(Cl)ccc1Cl)C1c2ccccc2Oc2ccccc21 6935520 GNFMLZOWXAPJSS-UHFFFAOYSA-N 371.219 5.837 0 40 FKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1c(F)cccc1Cl 7688210 LDGAHUZUVORPTN-UHFFFAOYSA-N 371.824 5.108 0 40 FKAB CCOc1cc(CNCc2ccccc2)ccc1OCc1cccs1 8254753 XIIQRHZLAMMWMW-UHFFFAOYSA-N 353.487 5.016 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063527 WYHDOVYNOFTRLV-UHFFFAOYSA-N 368.496 5.108 0 40 FKAB CCCCC[C@H](C)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 9805645 JEIHYBQCEJWNJC-IBGZPJMESA-N 366.505 5.217 0 40 FKAB CCOc1ccccc1CCCNC(=O)c1cc2c(ccc3ccccc32)o1 10111019 CERPBKFVOFKRPA-UHFFFAOYSA-N 373.452 5.347 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)oc2cc1C 10120294 OTIPSTXQOXPWQU-UHFFFAOYSA-N 370.452 5.350 0 40 FKAB CSc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 10313937 VYQJAFSMEDWNPJ-UHFFFAOYSA-N 365.523 5.953 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 11915039 ZZMIQQQXKCFXNF-UHFFFAOYSA-N 351.471 5.302 0 40 FKAB CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1C 13207752 WUOAWDIRCIAMJI-UHFFFAOYSA-N 373.477 6.115 0 40 FKAB Cc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 13810411 SITHMOVLUSCACU-JPEUKKKJSA-N 352.305 5.098 0 40 FKAB Cc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 14131996 GNJGDFMZJPWNLP-DEDYPNTBSA-N 359.450 5.385 0 40 FKAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccccc1Oc1ccccc1 14201983 RWJWYGKNYJCQHC-UHFFFAOYSA-N 367.788 5.113 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccc(F)cc2)CC(=O)N3)C1 15106879 FQWMVDWYQRRAQL-BBRMVZONSA-N 357.494 5.512 0 40 FKAB C[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 16963710 IHQZPPFHGIQFMM-GAJHUEQPSA-N 361.510 5.416 0 40 FKAB Clc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 20024082 JNCJSEUCPMKCSZ-UHFFFAOYSA-N 362.845 5.351 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 20035978 ZIZZRZOPQHQTDV-FGZHOGPDSA-N 353.506 5.364 0 40 FKAB CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 20038449 HFTCYRWSTHYXNA-MRXNPFEDSA-N 372.317 5.059 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20456666 HPHQEKDRGHAPGH-DVECYGJZSA-N 373.496 5.231 0 40 FKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Cl)cc1 22072391 YSMQOGDJWVQLND-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3nc4c(C)cc(C)cc4s3)no2)cc1 27664263 DLFHDANZFLJRJV-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H](CC[C@@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@H]1C 36371225 SABPQGKCDGUYAI-APIATHGVSA-N 374.609 6.994 0 40 FKAB Cc1ccccc1-c1cc2c(SCc3ccc(Cl)cc3)nccn2n1 38651808 HMEYVFNGMFCZRF-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB CC(C)[C@@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 48289721 DPZUAIWISVWJMH-HXUWFJFHSA-N 358.844 5.621 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1C 48339742 QWZFGJVWONHZIH-UHFFFAOYSA-N 374.893 5.851 0 40 FKAB c1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cnccn3)n2)cc1 71971862 LKELCJMUDBUKAA-UHFFFAOYSA-N 354.438 5.415 0 40 FKAB Cc1cc(C)cc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)c1 96305873 ZHLXFDZHBVSVCB-UHFFFAOYSA-N 354.453 6.323 0 40 FKAB C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 216454450 JFAHNXHDJOUUNJ-INIZCTEOSA-N 365.473 5.609 0 40 FKAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1 219131024 YGKLBRSCZKVUQU-VWLOTQADSA-N 371.524 6.093 0 40 FKAB C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc2c(c1)CCC2 223187917 SLDASBJNDWRBPN-HNNXBMFYSA-N 355.437 5.566 0 40 FKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2cccnc12 225866674 CYGJLGGRSJIDQM-UHFFFAOYSA-N 374.484 5.392 0 40 FKAB O=C(Cc1c(F)cccc1Cl)N[C@@H](c1ccsc1)c1cccs1 390826465 LZYMNEZFHITCDQ-KRWDZBQOSA-N 365.882 5.050 0 40 FKAB Fc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Br)c1 1504250183 CFNUGMMWFPUHCK-UHFFFAOYSA-N 371.074 5.678 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1775977752 WEDWPBJTDFKLRL-QWHCGFSZSA-N 363.269 5.345 0 40 FKAB Cc1ccc(C2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](C)C2)cc1 682178 SBAKIPUQSZKOBH-GOSISDBHSA-N 354.453 5.555 0 40 FKAB Cc1ccc2nc(Nc3cccc(C(=O)O)c3)nc(-c3ccccc3)c2c1 850403 BERSSRCVAXHRFO-UHFFFAOYSA-N 355.397 5.047 0 40 FKAB COc1cc(-c2nnc(-c3cccs3)o2)ccc1OCc1ccccc1 891999 IJINCCKLSZXGRI-UHFFFAOYSA-N 364.426 5.053 0 40 FKAB CCOc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C)cc2c1 915651 YQDLALCBAKNKLN-UHFFFAOYSA-N 371.889 5.570 0 40 FKAB Cc1ccc(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 970889 ZNHOOURJQGIBBX-UHFFFAOYSA-N 350.487 5.287 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 1047689 JGMIRTIZBRGPGB-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB CCCc1nc2sc3c(SCC)ncnc3c2c2c1COC(C)(C)C2 1252352 KIVBXKOOISRRAJ-UHFFFAOYSA-N 373.547 5.155 0 40 FKAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1c(Cl)cccc1Cl 1786774 ORFNMCWCSNRUTN-UHFFFAOYSA-N 367.235 5.360 0 40 FKAB COc1ccc(CNCC[C@@H](CCC(C)C)c2ccc3c(c2)OCO3)cc1 2129755 YFTWMEXXHMQNTA-LJQANCHMSA-N 369.505 5.124 0 40 FKAB biogenic CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccccc1Cl 2442287 CSJSIRNRRNNJNX-UHFFFAOYSA-N 357.910 5.528 0 40 FKAB Cc1cc(C)c(C(=O)CSc2nc3cc(Cl)ccc3s2)cc1C 2797074 IXRUFHNQVRLSIB-UHFFFAOYSA-N 361.919 5.850 0 40 FKAB Clc1ccc(-c2nc(CN[C@H]3CCCc4ccccc43)cs2)cc1 3339141 ABIIQSBNKUQSRU-IBGZPJMESA-N 354.906 5.631 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1 3608239 JZRABWBMFUJCHO-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB O=C1C[C@H](c2ccco2)Sc2ccccc2N1Cc1cccc(F)c1 4162851 FNHJTDJJFGLHRR-LJQANCHMSA-N 353.418 5.189 0 40 FKAB Nc1c(C(=O)c2cccc(Cl)c2)sc2nc(-c3ccccc3)ccc12 5338520 PQJQGWHVDKGYTL-UHFFFAOYSA-N 364.857 5.430 0 40 FKAB COc1ccc2nc(/C=C/c3ccc(Cl)c(Cl)c3)cc(Cl)c2c1 6047772 VPSIJMRYIBNMMX-DUXPYHPUSA-N 364.659 6.374 0 40 FKAB COc1cc2sc(NC(=O)c3ccc(C(C)C)cc3)nc2cc1Cl 6307420 ACCNTMLDQPYPKH-UHFFFAOYSA-N 360.866 5.334 0 40 FKAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 6323386 QZLPCZKEGOWBBU-KPKJPENVSA-N 371.864 5.076 0 40 FKAB Cc1c(-c2cccs2)nc2sc3c(c2c1-c1ccccc1)CCCC3 7847563 VGUGSHSUMIYDGM-UHFFFAOYSA-N 361.535 6.879 0 40 FKAB CCOc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 8270701 CSOAMYCIMMWBRE-UHFFFAOYSA-N 371.546 6.063 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 8498062 XYOAIPUBOZSCMK-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB Cc1ccccc1-n1c(S[C@H](C)c2ccccc2)nc2ccccc2c1=O 12620220 NFESQLHGUBTFJG-QGZVFWFLSA-N 372.493 5.547 0 40 FKAB Cc1cccc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)c1 19817325 KJZYADVYXSQNBL-MRXNPFEDSA-N 373.481 5.012 0 40 FKAB c1ccc(CCCSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 20522077 HBNBXKXWLUXBKX-UHFFFAOYSA-N 371.509 5.659 0 40 FKAB O=C(Nc1ccccc1-c1cccs1)[C@@H]1Cc2cc(Cl)ccc2O1 24780308 VDAZCIIQOPUUDD-KRWDZBQOSA-N 355.846 5.011 0 40 FKAB CCc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 35040467 CZDFHCJDHALDCD-LFIBNONCSA-N 359.903 5.308 0 40 FKAB C(=C1\CCCc2c1nn(-c1ccccc1)c2-c1ccccc1)\c1ccccc1 51330348 LVBCWANRJZIEFK-ZBJSNUHESA-N 362.476 6.416 0 40 FKAB CC(C)OCc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)c1 68311126 RYUOGUCKRCKTHN-OAQYLSRUSA-N 367.493 5.156 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c1 71760783 NYDJPRLIQOQEKN-UHFFFAOYSA-N 372.843 6.291 0 40 FKAB CSc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760941 IJJNRWITHVYVOC-UHFFFAOYSA-N 358.410 5.116 0 40 FKAB C(=C/c1ccccc1)\COc1ccc2occ(-c3cc4ccccc4o3)c2c1 96116564 VHSUBXOFYYBLKK-RMKNXTFCSA-N 366.416 6.938 0 40 FKAB biogenic CCCCOc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1 211140813 ALYNVSBCQNHMGL-OAQYLSRUSA-N 369.530 5.186 0 40 FKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1 224084894 GEZURTMDXCLHDR-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 225332160 IQIJCRNPJWTACF-SFHVURJKSA-N 366.288 5.202 0 40 FKAB Fc1ccc(NC(=S)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225457182 SMSHMRQWCBNAIE-SFHVURJKSA-N 370.493 5.339 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2c(F)cccc2F)c2ccccc2)c1 225699799 PWJKJLBVSPFFNK-IBGZPJMESA-N 368.452 5.349 0 40 FKAB C[C@@H]1CCC[C@H](OC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 226357848 CICGXGGFHBMCLY-BEFAXECRSA-N 362.425 5.196 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253617395 XIIAYQZJNBULGD-XCMUPAKZSA-N 372.681 8.498 0 40 FKAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(C=O)cc1OC2(C)C 257290466 QDBYEFWTHLBFCC-YOMUGFJLSA-N 366.457 5.105 0 40 FKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccco2)C1=O 408819230 ZYISGXUYERQRQD-LIFFSBLQSA-N 367.494 5.334 0 40 FKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(F)cc1 409110288 BAFOUKZHPDXJQK-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccccc2F)c1 409119580 UKVHAJXHCQUHSC-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccccc1C[C@]1(C)CCc2cc(-c3ccc(C(=O)O)cc3)ccc2O1 585265862 SOKZDVIEIVDOCQ-VWLOTQADSA-N 372.464 5.687 0 40 FKAB CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 2175359 FYDBHUAMKZMRKN-MIZVFFBBSA-N 356.878 5.354 0 40 FKAB COc1ccccc1[C@H](Nc1ccccc1C)c1c(C)[nH]c2ccccc12 2546264 YOTWPSKFBDGSSP-DEOSSOPVSA-N 356.469 5.995 0 40 FKAB Cc1ccc(Sc2nc3ccccc3cc2-c2ccc(Cl)cc2)cc1 3049378 JFAJEPGWQSPVCG-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccccc1 3120595 JFQNUYRZIYAXMM-FCHUYYIVSA-N 364.828 5.242 0 40 FKAB O=C1CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@H](c3ccccc3)N12 3196889 XGROEMAYQGXGMT-RRXSNJIPSA-N 372.493 5.194 0 40 FKAB O=C(OCc1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 4070498 VWOKLKIVDAXDPH-UHFFFAOYSA-N 361.422 5.446 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccnc2)N3)C1 4122631 NFVCBBGNDMXPBY-GUYCJALGSA-N 355.507 5.113 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccccc1Oc1ccccc1 4666506 AUDJFRKYULHTKD-UHFFFAOYSA-N 353.421 5.813 0 40 FKAB CC(C)CC[C@@H](CCN[C@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 5266749 LUPYCHXACSWWHP-CEXWTWQISA-N 351.600 6.046 0 40 FKAB S=C(Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl 5553068 WLLWFPMJLQQHCL-UHFFFAOYSA-N 366.100 6.109 0 40 FKAB Cc1ccc2c(c1)-c1sc(C(=O)Oc3ccc(F)cc3)cc1CS2 5942798 WFESNCDHOONTRX-UHFFFAOYSA-N 356.443 5.688 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@H]5CC[C@@H]4C5)cc3)sc2c1 5942866 UVHJYUXCTGXORP-LESCRADOSA-N 362.498 5.646 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 6052969 CCSMMWBMXAPUMQ-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB Cc1ccc(CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1 6204560 GMWSGXAIOGIHFD-UHFFFAOYSA-N 367.518 5.118 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1c2c(nc3ccc(OC)cc13)CCCC2 6636704 IPOMDZLYRWCOMB-QGZVFWFLSA-N 369.553 5.045 0 40 FKAB Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)oc2ccc(F)cc12 8192744 GPJAEBPXRDMDGD-UHFFFAOYSA-N 367.376 5.174 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H](c1ccc(Cl)cc1)C1CC1 8275628 WSQYYJAMOXDLEJ-JOCHJYFZSA-N 366.892 5.412 0 40 FKAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2Cl)o1 9376690 VSIJAKCYQBJFQG-UHFFFAOYSA-N 351.711 5.270 0 40 FKAB O=C(c1cccc2ccccc12)N1CCC(c2nc3ccccc3o2)CC1 11914653 QLXOJRUWKOTXMX-UHFFFAOYSA-N 356.425 5.001 0 40 FKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccsc1)CC(O)=N2 15106632 LQVPWVUQUIQJKX-CQSZACIVSA-N 368.483 5.494 0 40 FKAB O=Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)cc1 19912785 YCFMYYPVODHVLZ-JOCHJYFZSA-N 362.379 5.133 0 40 FKAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(CCC(C)C)c2C)cc1 21119908 ZFKVVLBJMUWCCW-UHFFFAOYSA-N 372.534 5.084 0 40 FKAB CC(C)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 30757526 BTZPDQZOWQWPFX-UHFFFAOYSA-N 368.329 5.989 0 40 FKAB Cc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C2CC2)cc1Cl 32815712 OZKZIWZBLPUECH-UHFFFAOYSA-N 369.827 5.103 0 40 FKAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 40104003 PKUVGSXQQQFIEU-CQSZACIVSA-N 373.884 5.159 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)N(C1=NCCS1)c1ccccc1 40157845 OAMFEXOKFYNIHT-UHFFFAOYSA-N 358.466 5.103 0 40 FKAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1ccc(F)cc1 40159156 IDOQCPZZHNTJNU-LLVKDONJSA-N 364.829 5.294 0 40 FKAB CC(C)C[C@@H](NC(=O)c1occc1-c1ccccc1)c1nc2ccccc2[nH]1 49590330 ZLMWSLPCQVEIEA-HXUWFJFHSA-N 373.456 5.340 0 40 FKAB c1ccc(CN2CCCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217628 GLTSZHKAUDMKMO-QFIPXVFZSA-N 360.526 5.960 0 40 FKAB Cc1nc2c(C)ccc(C)c2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101169868 NAUAUTBUVZYDHK-GAJHUEQPSA-N 352.522 5.266 0 40 FKAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(O)o1 137819428 YZJIAVOYCGZTNO-LJQANCHMSA-N 363.438 5.012 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223441202 UDMSXFYIYLTLJW-UHFFFAOYSA-N 361.466 6.015 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 223452547 UOUSBRWORJOERK-HXUWFJFHSA-N 373.496 5.682 0 40 FKAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c(Cl)c1 224291853 OEKHLQSGPPXMNR-UHFFFAOYSA-N 372.787 5.014 0 40 FKAB Cc1ccccc1-c1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1N 225178266 IRDYVUJIBYYEDQ-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(Cl)c2)cc1 225497252 BKUSMXILKSPONH-SFHVURJKSA-N 362.926 5.422 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@H](C)C1 225665764 JLBUYDSHFOJCFT-GAJHUEQPSA-N 373.537 5.630 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225704736 GVZMGGHTNLCPQA-JOCHJYFZSA-N 361.526 5.630 0 40 FKAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4ccccc34)oc2c1 226269806 AZLWHYDBXLPOHW-UHFFFAOYSA-N 370.330 5.173 0 40 FKAB COc1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2c2ccccc2)cc1 226761422 RFKJKCTUNJEBLW-QFIPXVFZSA-N 368.436 5.797 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccccc1)[C@H]2O 252448926 ZPIDDLUDNFHGDG-ZIBVAABASA-N 360.497 5.303 0 40 FKAB Cc1c(C(=O)Nc2ccccc2C(=O)c2ccccc2)oc2ccccc12 786049 UGJFXQYACRRYNE-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCCCC1 854715 QYDMNFJTYCKERT-UHFFFAOYSA-N 353.249 5.019 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(C3CCCCC3)s2)c1 959148 ZNOZRQZSTFHCTF-UHFFFAOYSA-N 373.522 5.035 0 40 FKAB Cc1cccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 1392103 UGVKEPDBSJMDQO-UHFFFAOYSA-N 374.918 5.503 0 40 FKAB O=C(c1ccccc1)[C@H]1CN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 1394176 IKZMLJRPGOEGAR-VXKWHMMOSA-N 361.872 5.443 0 40 FKAB aggregator Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1 2083521 KNDSTTKIXLXNCC-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1ccc2nc(N[C@@H](C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1 2343169 DARPWGFRKOFACE-JOCHJYFZSA-N 367.452 5.283 0 40 FKAB Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl 2521571 AZXHAWRMEPZSSV-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro CC[C@@]1(C)C[C@](CCNCc2ccc(F)cc2)(c2ccc(F)cc2)CCO1 4094007 DBJXADIIVXDBFH-XZOQPEGZSA-N 373.487 5.362 0 40 FKAB O=C(Cc1cccs1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 4549305 IJXYKZWTDKYAMA-UHFFFAOYSA-N 368.845 5.391 0 40 FKAB CN(C)c1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccccc2)cc1 4710299 HKFWEFQQIONUDA-HSZRJFAPSA-N 361.510 5.859 0 40 FKAB Cc1sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2c1C 4954362 NBQBVWQTRPMBRR-UHFFFAOYSA-N 362.454 5.679 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 7390406 DBRIYUUMVFNLPP-UHFFFAOYSA-N 374.484 5.364 0 40 FKAB CCc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccco4)ccc3O)nc2c1 9047562 QEVFJSHGUKVLEW-JXMROGBWSA-N 374.396 5.008 0 40 FKAB Cc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1Cl 11027561 RUPKVQGBVWRFAH-UHFFFAOYSA-N 363.914 5.081 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 13708608 GYJUATPUGODPOZ-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB CCc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2CC)cc1 13842191 YXUOMIPLHQKHSI-UHFFFAOYSA-N 367.518 5.040 0 40 FKAB Cc1ccccc1[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 20112194 GHQHCCFDBZNKKG-HRNYAPDYSA-N 361.872 5.567 0 40 FKAB Fc1ccc(CCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 22076558 LHEATYLIFFTVHC-UHFFFAOYSA-N 364.247 5.725 0 40 FKAB Cc1ccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 22374365 PPDBZZOJSLLNOE-QHCPKHFHSA-N 354.453 5.190 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 22509125 HOELXOAJIPEGOA-UHFFFAOYSA-N 364.533 5.603 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 22531360 YBOBKBUJHRJEOK-IRXDYDNUSA-N 353.506 5.191 0 40 FKAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 30314741 ICYDCXOLVCDPDI-LBPRGKRZSA-N 374.893 5.127 0 40 FKAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1cccc2ccccc12 32070064 ATZCQRRTEILIET-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB CCN(Cc1cccs1)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 32722440 ZOKBEUMWFKBHDT-HNNXBMFYSA-N 353.487 5.062 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)C(F)(F)F 33838811 PLWROONZUDKYKG-CGRWFSSPSA-N 356.472 7.264 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)c(C)c1 44935036 XMUFVQKKMDKWQI-FQEVSTJZSA-N 364.533 5.170 0 40 FKAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccccc3F)o2)o1 48303737 MWKWMPFFRKKRTF-XJKSGUPXSA-N 353.393 5.074 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217599 BYCRWMUFTSEONN-KRWDZBQOSA-N 356.491 5.305 0 40 FKAB O[C@@H](c1ccc(Cl)cc1)c1c(C(F)(F)F)cc(Cl)nc1Cl 91695084 SWYBTJZWSGHTED-NSHDSACASA-N 356.558 5.142 0 40 FKAB Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)nc1-c1ccc(F)cc1 95347417 FDLUOZRWQKTZII-CVEARBPZSA-N 370.424 5.139 0 40 FKAB Cc1ccc(NC2=C[C@H](c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 103764419 HRUKIALOGDQWGF-XMMPIXPASA-N 368.480 5.696 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1C 107030980 RLMCDGGZAVTDEZ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(C)Oc1cccc(CNC(=O)CC(c2ccccc2)c2ccccc2)c1 219126153 QYCCLLBTJHORKB-UHFFFAOYSA-N 373.496 5.312 0 40 FKAB OC1=C[C@]2(CCC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cccs3)=NN12 222363835 WBVGZBKSFSZWGU-LPHOPBHVSA-N 372.877 5.267 0 40 FKAB CCc1ccc(CC)c(CNC(=O)CSCc2ccccc2Cl)c1 223085671 QEOUGNRSHFWUAU-UHFFFAOYSA-N 361.938 5.014 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OC(C)C)cc2)c2ccccc2O1 224338799 GVGSKOCNWNJYCR-HXUWFJFHSA-N 367.489 5.286 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225504771 MLRRLSMOHATNGT-SFHVURJKSA-N 351.490 5.623 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ccccc12 225849035 FRAFXTNRKCGMAH-HSZRJFAPSA-N 371.521 5.943 0 40 FKAB Cc1cc(C)c2[nH]c(-c3ccc(-c4nc5cc(C)cc(C)c5[nH]4)cc3)nc2c1 226237222 MJPTWCYCZKCMEF-UHFFFAOYSA-N 366.468 6.007 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 408770666 ABBVSKAGANPUIB-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2F)cc1 409112807 LPJMJLVQDHYVFE-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C(Nc1ccccc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 1080820 BIGLIBVWSTZOMY-UHFFFAOYSA-N 357.335 5.096 0 40 FKAB Clc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1 1570020 RKOAUGLLPKMQQD-FMQUCBEESA-N 369.689 6.652 0 40 FKAB O[C@@H](c1ccc(Cl)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 1663988 KMNIXXUSNTVJHM-PMACEKPBSA-N 358.268 5.880 0 40 FKAB CCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)Nc2ccccc21 1902044 UOZNFQGLDVSMHC-PGRDOPGGSA-N 350.506 5.935 0 40 FKAB Cc1c(OCc2ccc(F)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 1904290 QGQBDBAIUNYGFU-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB CC1=C(C)C[C@@H](C(=O)NC2CCCCCCCCCCC2)[C@@H](C(=O)O)C1 2792960 JERUTSOCPMTFCI-UXHICEINSA-N 363.542 5.223 0 40 FKAB Cc1cccc(C)c1NC(=S)N(CCc1ccccc1)Cc1ccccc1 3262004 HNKLPJRGYOJXNV-UHFFFAOYSA-N 374.553 5.745 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1 3337458 NMPAWQJSRNQNSB-SOFGYWHQSA-N 364.253 5.360 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1cccs1)c1c(C)[nH]c2ccccc12 3892520 FFCNVXLFKIJLEM-UHFFFAOYSA-N 356.494 6.508 0 40 FKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1 4341967 NDTQHUFDYXIXDW-UHFFFAOYSA-N 374.396 5.093 0 40 FKAB Cc1noc(C)c1CSc1nc(-c2cccs2)nc2ccccc12 4601603 AWKVOPXRIGXBJA-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB CC(C)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C 5104387 WRNWDURPUAFISP-HOQCIHAOSA-N 358.610 6.897 0 40 FKAB Cc1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1 5147723 PYZZBIVZQYVSFZ-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB Brc1ccc(-c2cn3nc(C4CCCCC4)sc3n2)cc1 5182389 VIQFBAZGLMSYQA-UHFFFAOYSA-N 362.296 5.268 0 40 FKAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CC(C)C 9060056 NBBJYPNRKQMCOU-UHFFFAOYSA-N 352.482 5.043 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCCC3)c1 12822522 UCKCDRUZLHUPLC-UHFFFAOYSA-N 352.912 5.040 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14222251 QJEWUESGOHJUDW-UHFFFAOYSA-N 352.409 5.175 0 40 FKAB CCc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@H]2c1cccnc1 14607649 SUGQAFMTVIUKDP-FQEVSTJZSA-N 368.440 5.214 0 40 FKAB CCOc1ccc(Br)cc1C(=O)Nc1cccc2ccccc12 14654359 PDVUFKSPQIXEDN-UHFFFAOYSA-N 370.246 5.253 0 40 FKAB CC[C@@H](C)Oc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1 19738193 BDWUTIBSDJZDLJ-LJQANCHMSA-N 361.485 6.055 0 40 FKAB Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)c(C)c1 21006006 WSVAALLCKIOJSN-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB CC(C)Sc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 24545923 OYAUCHXUKYRQMF-UHFFFAOYSA-N 362.564 5.343 0 40 FKAB CCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)c1 27584561 HMHQYKCKBBGZRL-UHFFFAOYSA-N 351.471 5.302 0 40 FKAB CCCCOc1cccc(C(=O)N(Cc2cccs2)c2ccccn2)c1 27749092 VAJMOMSECKSMHP-UHFFFAOYSA-N 366.486 5.169 0 40 FKAB Clc1ccc(OCc2ccccc2)c(CNc2ccccc2Cl)c1 33546261 JFIMAQDZFCCEIW-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc2nc(-c3ccccc3O)c(Nc3ccc(C)c(Cl)c3)n2c1 35616371 CSBATBXFGHLFJA-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CC(C)CCCCCCCOP(Oc1ccccc1)Oc1ccccc1 38654471 ADRNSOYXKABLGT-UHFFFAOYSA-N 374.461 7.385 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 44904244 AXGMYKOSPSWVBT-XMMPIXPASA-N 373.496 5.381 0 40 FKAB Cc1ccccc1-c1nnc(S[C@H](C)Cc2ccc3ccccc3n2)o1 72312922 YTVSRFMWUKHOOR-OAHLLOKOSA-N 361.470 5.317 0 40 FKAB Cc1ccc2oc(-c3ccc(Br)cc3Br)nc2c1 73638189 BBLOYAKJMSHQTC-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB COc1ccc([C@@H]2CN[C@@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 83943995 SSRVTXWLYQYDND-REWPJTCUSA-N 354.453 5.001 0 40 FKAB CCn1c(/C=C/Nc2ccccc2)[n+](CC)c2cc(Cl)c(Cl)cc21 100327589 CSJUPLAKKSKSQQ-UHFFFAOYSA-O 361.296 5.358 0 40 FKAB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 118916102 JHTFPRFKUMCPIU-RZVKGKIUSA-N 368.565 5.207 0 40 FKAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1C 218926409 FYFSAHBPYZWJGQ-IBGZPJMESA-N 359.897 5.220 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1C 219047188 RSXDBVLKTRYNJB-XMSQKQJNSA-N 361.485 5.491 0 40 FKAB Cc1cccc(CSCCNC(=O)CCc2cccc3ccccc23)c1 222663699 XRNHKLRNMUDPDZ-UHFFFAOYSA-N 363.526 5.130 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223466029 MIVFLHROUMALBM-DENIHFKCSA-N 353.506 5.264 0 40 FKAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224978680 OLZADKKLCSLCGJ-UHFFFAOYSA-N 373.452 5.020 0 40 FKAB COc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 225149092 CVUGABLEFZUELH-UHFFFAOYSA-N 359.425 5.474 0 40 FKAB CCc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225827925 LWAUXTOHOZCDJR-UHFFFAOYSA-N 371.440 5.024 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)c1 408623410 TYUUEZOPOQOTRS-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724274 JJOJCUQYDFCJSU-UHFFFAOYSA-N 368.436 5.383 0 40 FKAB CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(C)c(C)c1 408834729 VAVUWOTXBJSBOE-UHFFFAOYSA-N 364.514 5.940 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 683115 LJBJSDGUAYLWDP-NSHDSACASA-N 357.759 5.073 0 40 FKAB CCCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 703981 KGLVLYRLTACKCU-SFHVURJKSA-N 369.468 5.120 0 40 FKAB CCN(CC)C[C@H](O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 1622213 MEXJERWEMCMHCL-VWLOTQADSA-N 370.496 5.430 0 40 FKAB biogenic CCCCSc1ccc([C@H](SCCCN(C)C)c2ccccc2)cc1 1713954 WEHYHSKAZGAQTI-JOCHJYFZSA-N 373.631 6.353 0 40 FKAB Cc1ccc([C@@H](CCNCc2ccco2)c2ccc(OC(C)C)cc2)cc1 2099536 HUBOVUBOIUBELR-XMMPIXPASA-N 363.501 5.687 0 40 FKAB biogenic CCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1cccs1 2261034 FHGIHLKXTMJLCQ-IBGZPJMESA-N 371.477 5.441 0 40 FKAB Cc1ccc2nc(N[C@H](C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1 2343168 DARPWGFRKOFACE-QFIPXVFZSA-N 367.452 5.283 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1 2637638 POSBUUKTFLMXAM-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB COc1ccc(C2=C(Cl)C=C(c3ccccc3)c3ccccc3O2)cc1 3218358 DRLKXAIFOKJWLT-UHFFFAOYSA-N 360.840 6.127 0 40 FKAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 3251241 QRPSGMZSYSIILX-UHFFFAOYSA-N 372.342 5.855 0 40 FKAB Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c(C)c(C)c(=O)oc2c1 4043024 OISVZINNMMFBDN-UHFFFAOYSA-N 372.420 5.133 0 40 FKAB biogenic CCn1c(SCc2cccc(Cl)c2)nnc1-c1c[nH]c2ccccc12 4138599 LEHOEGIINUHFBJ-UHFFFAOYSA-N 368.893 5.392 0 40 FKAB O=C(Nc1cccc(Br)c1)c1cc(Cl)sc1Cl 4173465 YYYZMZDXDRHSEN-UHFFFAOYSA-N 351.052 5.070 0 40 FKAB CSc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 4251159 QZNSGAHAJOTWCM-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB CCCCCOc1ccc([C@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 4425425 AUFMKGRMGQMMSP-RPWUZVMVSA-N 367.533 5.169 0 40 FKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1 4560683 ZYBMQVCTQAVPOE-UHFFFAOYSA-N 365.904 6.060 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 4903225 WMOBTHXDBKSIEJ-ZDUSSCGKSA-N 371.893 5.158 0 40 FKAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)c(OC)c1 5455875 FICPSKHTIVBZCR-YCRREMRBSA-N 373.452 5.413 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 5522991 YLPSLFDPWKBUOC-UHFFFAOYSA-N 367.533 6.248 0 40 FKAB Clc1ccc2oc(-c3cnc(Nc4ccccc4Cl)nc3)nc2c1 5584169 UXUHMIQLUWIXJU-UHFFFAOYSA-N 357.200 5.335 0 40 FKAB Fc1c(F)c2c(c(F)c1Oc1ccc(Cl)cc1)Oc1ccccc1O2 5604812 ZCGAWQVBVLOCGF-UHFFFAOYSA-N 364.706 6.448 0 40 FKAB CC(C)(C)c1ccc(OC(=O)/C=C/c2ccccc2)c(Br)c1 5839451 FMUWXASREQXCSX-FMIVXFBMSA-N 359.263 5.365 0 40 FKAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c(Cl)c1 7813334 AHCDTFYFVXEPJL-UHFFFAOYSA-N 355.865 5.129 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8041079 YKMRPFUSXDJJAA-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB CCCCCc1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 15324556 SAGRAVCSMLRXDL-UHFFFAOYSA-N 365.502 5.114 0 40 FKAB Cc1cccc(-c2nnc([C@H](C)Sc3nc4ccccc4s3)o2)c1 17483921 HPIUJPFIOYGYQT-LBPRGKRZSA-N 353.472 5.508 0 40 FKAB CC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12 21799438 IPMGUIWLJLUNGN-GFCCVEGCSA-N 362.399 5.242 0 40 FKAB Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1C 22385966 LBTNJHBFASCDDP-UHFFFAOYSA-N 373.378 5.069 0 40 FKAB Cc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 27028900 XJEGVAJNVMUNAI-UHFFFAOYSA-N 356.473 5.060 0 40 FKAB FC(F)(F)c1cnc(Oc2cnc(-c3ccccc3)nc2)c(Cl)c1 31784728 AAKIAWLSAMUBTM-UHFFFAOYSA-N 351.715 5.003 0 40 FKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)c3ccccc3n2)o1 32980116 BTILKIKWOOQNGK-UHFFFAOYSA-N 363.800 5.676 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)N(C)C1CCC(c2ccccc2)CC1 58325053 ACOYVKYKKXSZQP-UHFFFAOYSA-N 364.533 6.309 0 40 FKAB Cc1ccc(CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 59179689 QQDGYFUIXDVRPD-UHFFFAOYSA-N 368.502 5.681 0 40 FKAB Cc1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 67339902 WDQNZMVABCWKCJ-SOFGYWHQSA-N 356.219 5.156 0 40 FKAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 75283684 GCUVMKUEXAXFTL-UHFFFAOYSA-N 367.832 5.458 0 40 FKAB CC(C)c1ccc(C2=C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 102048000 AANZDOQGIADGLK-LJQANCHMSA-N 350.853 5.111 0 40 FKAB Cc1noc2c1[C@H](c1ccccc1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102728795 VSCGXVOWILAMNW-KKSFZXQISA-N 372.424 5.296 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC21SCCS1 118919297 WROCQXQWVLSOQA-XSEPRYCASA-N 364.620 5.486 0 40 FKAB CC(C)(C)c1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1 211144267 PSDRRRYMLSJBRU-HXUWFJFHSA-N 368.546 5.696 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 222846649 AEMXOGDEMLEVOP-UHFFFAOYSA-N 359.513 6.024 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 223641760 BIRVIOARNNSWHR-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB COc1ccc(Cl)cc1C(=O)NC[C@@H](C)Cc1cccc2ccccc12 225041061 FJRIKXGZZZQWGS-HNNXBMFYSA-N 367.876 5.110 0 40 FKAB CCC(C(=O)Nc1ccc(OC(C)C)cc1)(c1ccccc1)c1ccccc1 225935008 AIDMECLUWCKCLL-UHFFFAOYSA-N 373.496 5.809 0 40 FKAB Cc1cc2nc(-c3cccc(-c4nc5cc(C)c(C)cc5o4)c3)oc2cc1C 226237373 HEGHSKXXWFAILM-UHFFFAOYSA-N 368.436 6.537 0 40 FKAB Cc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 408620016 GNSHKMIFFOQAGC-UHFFFAOYSA-N 372.679 5.590 0 40 FKAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc12 408843843 SOUGNTOUDWVEFV-UYRXBGFRSA-N 361.422 5.089 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccccc3C)cc2Cl)cc1 409110833 YYPKMIUIACACHH-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C 924399 JMIKGBGSBIDHAT-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCCCC1 1453225 AYNGDYRAUPHWHK-UHFFFAOYSA-N 369.317 5.560 0 40 FKAB COc1ccc(-c2cc(=O)oc3c(C)c4oc5c(c4cc23)CCCC5)cc1 2145602 LHDFNUFTRGMTBX-UHFFFAOYSA-N 360.409 5.402 0 40 FKAB biogenic CCOc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1 2225468 KQMCEYMYOXMWTA-UHFFFAOYSA-N 355.441 5.748 0 40 FKAB Cc1ccc(Cl)cc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 2251811 HTRLHUNZLBVPDW-UHFFFAOYSA-N 360.804 5.191 0 40 FKAB CCCCSc1nc2ccc(NC(=O)Nc3ccccc3)cc2s1 2274822 ZTRXQDFHWGEAKR-UHFFFAOYSA-N 357.504 5.833 0 40 FKAB CCCCC[C@@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2752546 FGIOTAKEHYOZJB-LLVKDONJSA-N 369.292 5.655 0 40 FKAB O=C(NC1CCCCCC1)c1ccccc1OCc1ccc(Cl)cc1 3328212 GPUQWPARKHXYOB-UHFFFAOYSA-N 357.881 5.372 0 40 FKAB CCCCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4023804 ULKPKSITLDMDMJ-CDVBAKLBSA-N 365.558 5.325 0 40 FKAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12 4286230 VKTFSHRNYIFEQY-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 6949729 NEHAVVAHVWREBO-UHFFFAOYSA-N 358.485 5.448 0 40 FKAB CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1 7537863 GWGFUZUVTFWIDC-UHFFFAOYSA-N 361.485 5.263 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 7699630 RROVZJNWRWABBG-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1cc(CSc2ccccc2C(=O)Nc2cc(Cl)ccc2C)on1 8762338 OSNKBRBLTWCZFS-UHFFFAOYSA-N 372.877 5.489 0 40 FKAB Cc1cccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)c1 12535637 ZRNFPMCMFMDIFD-UHFFFAOYSA-N 372.400 5.082 0 40 FKAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1 13676682 GHTYPHBNHBQENE-INIZCTEOSA-N 367.514 5.177 0 40 FKAB COc1ccc([C@@H](C)N(C)Cc2c(C3CCCC3)[nH]c3ncccc23)cc1 19458713 CXBMXHXSZPRVQE-MRXNPFEDSA-N 363.505 5.422 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 20459664 DRSBICAMTFQZAH-SJORKVTESA-N 359.897 5.218 0 40 FKAB Cc1c(Cl)cccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](C)C2 20671991 BPBXAPMNFYLIPY-ZDUSSCGKSA-N 365.864 5.343 0 40 FKAB Cc1nnc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc12 24134224 GLDFOJJMDFNIGR-UHFFFAOYSA-N 372.268 5.768 0 40 FKAB COc1cc(CN[C@H](C)c2cccc3ccccc23)ccc1OC(F)F 25364071 FDIVPUHNLSVQNV-CQSZACIVSA-N 357.400 5.301 0 40 FKAB CCN(C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12)c1ccc(F)cc1 25736524 PIJINKKHMDXUPX-UHFFFAOYSA-N 369.289 5.103 0 40 FKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3F)n2)cc1 32622535 PVCAHBIZONMPPA-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB CC(C)CC(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623621 KYVVOOFCWOCQCP-UHFFFAOYSA-N 355.825 5.042 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 40995066 NAELKFYLSYMHAJ-UHFFFAOYSA-N 365.860 5.490 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351672 HTBXIPXCRCEZQZ-PGRDOPGGSA-N 367.533 5.636 0 40 FKAB CCSc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72217152 GTPMROLSDLQABI-GOSISDBHSA-N 356.491 5.057 0 40 FKAB Cc1ccc(-c2csc3ncnc(N[C@H](C)c4ccccn4)c23)cc1C 84181048 NRODRIBJKRWQGD-OAHLLOKOSA-N 360.486 5.543 0 40 FKAB Cc1oc(-c2cccs2)nc1C[S@](=O)c1ccc(Cl)c(Cl)c1 95962100 DPIQNGZOECYVAT-JOCHJYFZSA-N 372.298 5.326 0 40 FKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2c[nH]c3ccccc23)CCC1 102656027 RMIFPUADXKXAND-NRFANRHFSA-N 354.413 5.189 0 40 FKAB Cc1ccccc1NC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 211147382 LGJOPMWCLVIXEO-SFHVURJKSA-N 360.910 5.361 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(C)cc1C 219006755 OEKCCLJKLFGHKW-RUZDIDTESA-N 371.524 5.970 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 223451268 URIVUVKRSJFECD-GOSISDBHSA-N 353.506 5.166 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCCOc1cccc2ccccc12 223558513 XDRLFZVYZFBFPQ-UHFFFAOYSA-N 365.498 5.149 0 40 FKAB Nc1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1ccccc1 225180139 VCGPQUSPFVYGKU-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1ccccc1 225329650 CAXKVPCSFMDQRJ-UHFFFAOYSA-N 370.279 6.232 0 40 FKAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c2ccccc12 225841579 FPKAQPINADUCSM-QHCPKHFHSA-N 371.521 5.799 0 40 FKAB Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1 226239898 RCOVTUKOMSBGDK-UHFFFAOYSA-N 356.263 5.938 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)/C(=C\c3ccccc3)C[C@H]12 253498559 LZOCUXGUHLCYSF-DYEAXICRSA-N 364.573 6.474 0 40 FKAB biogenic CCCn1c(SCCCc2ccccc2)nnc1-c1ccc(Cl)cc1 409099525 TYTWGWMSGBKEJR-UHFFFAOYSA-N 371.937 5.733 0 40 FKAB Cc1nc(Oc2ccc(Cl)cc2Cl)c2c3c(sc2n1)CCCC3 708914 YCHCCAWSZYZCGQ-UHFFFAOYSA-N 365.285 5.978 0 40 FKAB Cc1cc(C)nc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)n1 709259 MFXWNXGOVBXHAT-UHFFFAOYSA-N 373.481 5.217 0 40 FKAB Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)c(C)c1 887549 LMFWUENLVWLOCA-UHFFFAOYSA-N 364.514 5.508 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(Cl)c1C 1268500 ARMYKMNCRXXBHT-VOTSOKGWSA-N 370.663 5.616 0 40 FKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1413964 OSRUQGKLAGFOPN-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB CCCCN(CCCC)C(=S)C(O)(c1ccccc1)c1ccccc1 1564402 GKGQQKTUHAIWBG-UHFFFAOYSA-N 355.547 5.152 0 40 FKAB Cc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 1772426 MXBVPRHULVIWGG-UHFFFAOYSA-N 369.420 5.125 0 40 FKAB biogenic CC(C)(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 2381134 YKRRVIMNUAROQV-UHFFFAOYSA-N 368.893 5.471 0 40 FKAB CCCCCc1ccc(-c2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1 2479386 UUWONTMBAQUMDK-UHFFFAOYSA-N 369.468 6.198 0 40 FKAB O=C(CCSc1nc2ccccc2s1)Nc1nc2ccccc2s1 2786765 FOTCDLBXRIPZKJ-UHFFFAOYSA-N 371.512 5.027 0 40 FKAB COc1ccccc1CNc1ncnc2scc(-c3ccc(F)cc3)c12 3288418 GTIBKIZTATUBBN-UHFFFAOYSA-N 365.433 5.118 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3319763 ZYHZZELZHBTJIY-UHFFFAOYSA-N 360.457 6.037 0 40 FKAB COc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1F 3327548 XXQWICZLECXDDW-UHFFFAOYSA-N 366.417 5.085 0 40 FKAB CCC(C)(C)NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 3327737 CKXJOVZDHBLJBI-UHFFFAOYSA-N 353.506 5.482 0 40 FKAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc(C(C)(C)C)cc3)cc2C1 3398153 OGDXCAZVJRQRDZ-AWEZNQCLSA-N 370.514 5.210 0 40 FKAB CN(c1ncnc2sc(-c3ccccc3)cc12)[C@@H]1CCCc2ccccc21 3440232 VCUYEUXOAJOCNH-HXUWFJFHSA-N 371.509 5.872 0 40 FKAB Brc1cc(Br)c2nc(-c3ccccc3)ccc2c1 4051012 MJDIYURSUWSIGU-UHFFFAOYSA-N 363.052 5.427 0 40 FKAB Cc1cc(C)cc(Nc2c(-c3cccc4nccnc34)nc3ccccn23)c1 5453408 WRMHIDBOFWGGQP-UHFFFAOYSA-N 365.440 5.305 0 40 FKAB Cc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5460311 NKFAXMRHBWNQGC-IRLDBZIGSA-N 357.432 5.630 0 40 FKAB CC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1 5498818 BZQNDPCRIURTJK-OXJNMPFZSA-N 351.556 5.279 0 40 FKAB CCOc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)cc1 5953693 WLTXVPPXRYSVSX-UHFFFAOYSA-N 352.459 5.078 0 40 FKAB CCCCCC(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 6595178 SDHBCDCCBXDGBX-UHFFFAOYSA-N 372.472 5.401 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1 6815419 JEIRKCZOSSTIRU-VGOFMYFVSA-N 368.241 5.131 0 40 FKAB CC(C)(C)CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1 6857360 CFOJWSLTEZBRKM-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(C4CC4)c3C)cs2)cc1 8313382 VIOYBRGOWDMFBV-UHFFFAOYSA-N 365.502 5.053 0 40 FKAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccccc1 8986419 LECWUIJOFZKPSG-MBSDFSHPSA-N 356.469 5.274 0 40 FKAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 9235912 AIYCAMZKOAOHGX-HSZRJFAPSA-N 370.496 6.064 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1ncc(-c2ccc(F)cc2)o1 9321944 RZQQSYFWYUQUNV-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)cc(Cl)c1 12971708 RBSIMMSZRHTKSN-JTQLQIEISA-N 365.285 5.436 0 40 FKAB CCOc1ccc(/N=c2/cc(-c3ccc(OC)cc3)oc3ccccc23)cc1 13756602 ZIYZYJVBANACFA-LVWGJNHUSA-N 371.436 5.740 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2c(Cl)cccc12 14258255 KSTMBRVOPPJTDZ-UHFFFAOYSA-N 350.632 6.052 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)/C(=C/c1ccccc1)c1ccccc1 14412216 NDPCHYRFESDQSO-SAPNQHFASA-N 368.263 6.173 0 40 FKAB Cc1c(C(=O)Nc2c(Cl)cccc2Cl)oc2c1C(=O)CC(C)(C)C2 16740204 JRZYLSIHKWNZJR-UHFFFAOYSA-N 366.244 5.302 0 40 FKAB CCCCn1c(-c2ccc(OC)c(Cl)c2)cs/c1=N\c1ccccc1 16741640 YPMMUWKKMNAFBE-XDOYNYLZSA-N 372.921 5.911 0 40 FKAB CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757597 PMYFCASRXOTVJJ-MRXNPFEDSA-N 373.481 5.157 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)CCc1ccccc1 20494359 UUUMTEFDDDQQFX-GCJKJVERSA-N 361.485 5.135 0 40 FKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccs3)n2)s1 32622269 QCNKQUULRBFHEZ-UHFFFAOYSA-N 367.455 5.087 0 40 FKAB C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 58160695 MPAUIXLAVDZIEW-GHMZBOCLSA-N 371.695 5.325 0 40 FKAB Cc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1C 64472420 JPGKLBOKVBGLTN-UHFFFAOYSA-N 372.493 6.075 0 40 FKAB CCCN1CCC(c2cc3c(ncn3C(C)C)c(-c3ccccc3)n2)CC1 96267174 SCBLJXGJENEPCK-UHFFFAOYSA-N 362.521 5.269 0 40 FKAB Fc1ccccc1-c1nnc(COc2ccc(-c3ccccc3)cc2)s1 199408854 JTBQEGOFXKEZBY-UHFFFAOYSA-N 362.429 5.590 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222971439 ILWZFAIBVCQYCI-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1Oc1ccccc1 223972303 VAONGNGGWFUZFH-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB CCc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225677558 QEFFLYYMQKNOCP-GOSISDBHSA-N 354.519 5.146 0 40 FKAB c1ccc(C(c2ccccc2)c2nc3cc(-n4cccc4)ccc3o2)cc1 226246660 KGUOBJXJZCIBKZ-UHFFFAOYSA-N 350.421 5.799 0 40 FKAB CCOc1ccc(Cl)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408558869 SVKCVLPSOWIDSG-KRWDZBQOSA-N 368.285 5.171 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 409079736 LCSJQJCMROHQEC-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2cccc(C)c2)cc1 409117850 OVWSIGASQBHIKS-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCc1s/c(=N\C(=O)c2ccc(C)c(Cl)c2)n(C)c1-c1ccccc1 409207011 YOUFCFYYULMSLG-XDOYNYLZSA-N 370.905 5.019 0 40 FKAB Cc1c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)cccc1-c1ccccn1 535106858 QJFKADQGIVOOIC-UHFFFAOYSA-N 371.440 5.574 0 40 FKAB Clc1ccc(SCSc2ccc(Cl)cc2Cl)c(Cl)c1 584599696 JHMBYIHPPZEEQJ-UHFFFAOYSA-N 370.153 7.142 0 40 FKAB C[C@@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(C(F)F)nc1 657961677 TUQCVZXGPFDHGX-GFCCVEGCSA-N 355.388 5.725 0 40 FKAB CCN(CC)P1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1 1772768965 JUABZMOAYAHVTB-UHFFFAOYSA-N 353.402 5.205 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 682888 JATQTTJJFAXRLB-LJQANCHMSA-N 371.480 5.585 0 40 FKAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(Oc2ccccc2)c1 1023619 BPLSQTVRZUSRAO-UHFFFAOYSA-N 369.420 6.300 0 40 FKAB O=C(NCc1cccc2ccccc12)C(c1ccccc1)c1ccccc1 1049845 YUVKEFOPLPLALJ-UHFFFAOYSA-N 351.449 5.288 0 40 FKAB c1ccc([C@@H]2C3=C(CCCC3)N3c4ccccc4N[C@]34CCCC[C@H]24)cc1 2278705 NMMJJAVXQBYOHO-NIJXNBFTSA-N 356.513 6.431 0 40 FKAB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccccc2C)n1 2410801 CHMFIOXPXCTSAY-UHFFFAOYSA-N 357.413 5.091 0 40 FKAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1(c2ccccc2)CCCC1 2512728 LSIHWJSLJNLCJB-UHFFFAOYSA-N 350.245 5.150 0 40 FKAB Cc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4)cc2-3)cc1 2688705 ROXITNAJLYWESE-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB O=C(Nc1cccnc1Cl)c1sc2cccc(Cl)c2c1Cl 2767109 AWSLVNASGRIKJQ-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB O=C(Cc1ccsc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 3340463 AHRJOHIBOCAWFY-UHFFFAOYSA-N 369.298 5.360 0 40 FKAB CC(C)Oc1ccc2c(c1)N(CC[C@@H]1CCCCN1)c1ccccc1S2 5011698 DNRXJFWDKALNBC-KRWDZBQOSA-N 368.546 5.609 0 40 FKAB Cc1csc(N(C(=O)c2cnc(Cl)c(Cl)c2)c2ccccc2)n1 6627139 YAMTZPQLCPYMMT-UHFFFAOYSA-N 364.257 5.132 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1Cc1ccco1 7112555 GUVFFNJMXKDRIP-SFHVURJKSA-N 372.346 5.065 0 40 FKAB COCc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1 7473108 DKQMHWZKIHQWNV-UHFFFAOYSA-N 366.486 5.134 0 40 FKAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 7785283 NWOUTVXSUFSSPA-QGZVFWFLSA-N 360.457 5.191 0 40 FKAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCCC4)c23)cc1 8313386 YJFFMEICEDMTEK-UHFFFAOYSA-N 358.470 5.021 0 40 FKAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCc3ccccc3)sc2n1 12446525 YFWUSZNIKJXTKU-UHFFFAOYSA-N 362.454 5.061 0 40 FKAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(F)cc1F 17198209 SGVBAXAGLUIXQD-HNNXBMFYSA-N 360.212 5.050 0 40 FKAB CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(O)CSCc1cccc(Oc2ccccc2)c1 17249776 CULVDJPYQHYKQJ-MSYCTHLASA-N 368.542 5.899 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 20459663 DRSBICAMTFQZAH-DLBZAZTESA-N 359.897 5.218 0 40 FKAB CCCCOc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 20594849 LDCDMPHOKBPCKA-OBGWFSINSA-N 371.480 6.184 0 40 FKAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1 22996666 VKDWFBDGQAUTAA-MRVPVSSYSA-N 352.303 5.368 0 40 FKAB COc1ccc(NC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 23233550 BJODXFVIKZPHAK-UHFFFAOYSA-N 370.836 5.273 0 40 FKAB O=C(N1CCC(c2nc3ccccc3o2)CC1)C1(c2ccccc2)CCCC1 32967046 NWWGUHFBCJMLML-UHFFFAOYSA-N 374.484 5.046 0 40 FKAB O=C(NC1CCCCC1)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127535 ZTINRCFACUUFIR-UHFFFAOYSA-N 354.837 5.211 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1SCC(O)=Nc2ccsc21 71279100 DHMGHWPHKAORRB-LJQANCHMSA-N 369.515 5.034 0 40 FKAB Cc1cc2c(cc1C)N(Cc1ccccc1Cl)C(=O)[C@H]1CCCC1=N2 101945994 CHXFPRRTDYRRBZ-INIZCTEOSA-N 352.865 5.376 0 40 FKAB CCOC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118929167 NROMSNOPHMXOQW-HVWUICSASA-N 362.554 5.368 0 40 FKAB C[C@]12CC[C@H](C3CCCC3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118935622 PJCQKJZWYFPASB-GGEJKPOYSA-N 358.610 6.587 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223047565 UGLYXNANTNMTHC-FQEVSTJZSA-N 369.530 5.474 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2ccccc2Cl)c1 225602849 RQNVJHJKSQFMHA-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225823039 WOIKRKVKEULKMG-ZHRRBRCNSA-N 357.494 5.551 0 40 FKAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409012777 KNTPPFKYTXQXPZ-ONDHQXCVSA-N 369.486 5.462 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 409122568 ZRZZBJLAGZWGGX-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CSc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409193349 JLHKKDONTLHLNF-XNTDXEJSSA-N 361.875 5.303 0 40 FKAB C[C@H](CC(=O)c1ccc(Br)cc1C(F)(F)F)CC(C)(C)C 575362624 LQFPKNCLJBYITB-SNVBAGLBSA-N 365.233 6.113 0 40 FKAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccccc1Br 575620406 KIAZHGMMVYLINF-LBPRGKRZSA-N 374.303 5.025 0 40 FKAB O=C(NC1CCCCC1)c1ccc(COc2cc(Cl)ccc2Cl)o1 673380 LHNCAXLPAQEIRO-UHFFFAOYSA-N 368.260 5.228 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1Cl 694627 QGTBNVJQVCAGGO-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB COc1ccccc1-c1nc2cc(NC(=O)c3ccc(C)cc3)ccc2o1 821770 RRQFPGJVPCOXHG-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB O=C(O)c1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl 3020466 PBXDCCWWPANSTL-UHFFFAOYSA-N 366.225 5.159 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@H]2c1ccccc1 4295030 QNSRLWXHVYCDBF-FQEVSTJZSA-N 353.425 5.565 0 40 FKAB COc1cccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1 4350421 XUJLKPHAOIJRAX-UHFFFAOYSA-N 352.459 5.194 0 40 FKAB Cc1ccc(-c2cnc(NCc3ccc(-c4ccccc4)cc3)n2C)cc1 4678531 ABMVNWDQSBYZCT-UHFFFAOYSA-N 353.469 5.675 0 40 FKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 4910712 IVEXNDHWLLVXFT-SFHVURJKSA-N 367.537 5.121 0 40 FKAB COCc1c(C(=O)Nc2ccc(C)cc2Cl)sc2cccc(F)c12 5404227 NQTRTPWXIHJSFU-UHFFFAOYSA-N 363.841 5.401 0 40 FKAB Cc1ccc2c(-c3oc4ccccc4c3NC(=O)C(C)C)cc(=O)oc2c1 6623952 CWZJUURDXGSDEV-UHFFFAOYSA-N 361.397 5.109 0 40 FKAB biogenic Cc1ccc(C(C)C)c(OCCCN2CCCC[C@@H]2c2cccnc2)c1 6624390 YLWNQOPFOUQOMO-JOCHJYFZSA-N 352.522 5.510 0 40 FKAB biogenic COc1cccc(C(=O)N(c2cccc(C)c2)c2ccc3ccccc3c2)c1 8434719 BHZKVBGJUOGWTQ-UHFFFAOYSA-N 367.448 6.135 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1[C@@H](C)c1ccccc1 9355402 ZAPJTWFLFOHGKW-BXKMTCNYSA-N 366.464 5.783 0 40 FKAB Cc1ccc(C)c(NC(=S)N(Cc2c(F)cccc2Cl)C2CC2)c1 14810551 JXQDCHPKJYJYBC-UHFFFAOYSA-N 362.901 5.457 0 40 FKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 20412142 MIHFEJHSXRICBF-UHFFFAOYSA-N 373.452 5.582 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312072 NQEYNARXLIWKQC-QGZVFWFLSA-N 351.368 5.118 0 40 FKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)CCCC2 21398241 ANFGKNNYBPNYOV-KRWDZBQOSA-N 374.484 5.030 0 40 FKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 21595832 LLSLSTLPUQIPAA-UHFFFAOYSA-N 363.860 5.573 0 40 FKAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NCc3cccnc3)sc2c1 26688065 HVRBFOFFIRNBCY-UHFFFAOYSA-N 358.894 5.177 0 40 FKAB c1ccc(C(NCc2csc(-c3cccs3)n2)c2ccccc2)cc1 32753266 JLSCJGHGTJJJAQ-UHFFFAOYSA-N 362.523 5.751 0 40 FKAB Cc1c(C(=O)Nc2ccccc2CN2CCCC2)oc2ccc(Cl)cc12 41971040 PWXSUJJBCYBWRG-UHFFFAOYSA-N 368.864 5.243 0 40 FKAB Cc1cccc2nc(Nc3nc4c(Cl)c(Cl)ccc4s3)oc12 57352952 BRARQSZSYMAPLS-UHFFFAOYSA-N 350.230 5.796 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 59351486 YQSKYLFQURIEJW-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB CC1=Nc2c(cnn2-c2ccccc2Cl)[C@H](c2cccc(O)c2)S1 95478215 OCWFGPIFMQOAFI-KRWDZBQOSA-N 355.850 5.117 0 40 FKAB Cc1cc2oc(=O)cc(COC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)c2cc1C(C)C 103100345 YEFFADSCHKFGFX-ZACQAIPSSA-N 368.473 5.094 0 40 FKAB O=C(CCc1ccc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)OCO2 199737330 JGAMXXKUOWQXHS-UHFFFAOYSA-N 354.789 5.144 0 40 FKAB C[C@@H](OC(=O)c1ccc(N)cc1Cl)c1ccc2c3c(cccc13)CC2 216851072 WLNOGGZBHJLVIG-GFCCVEGCSA-N 351.833 5.092 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 222873028 UKYNDNQWOPONKV-QGZVFWFLSA-N 351.368 5.064 0 40 FKAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl 224511386 WGJQWSVJRIDGIS-KRWDZBQOSA-N 373.880 5.079 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(C(C)C)cc2)c2ccccc2)c1 225697822 LOSPGZRQUSXDMB-HSZRJFAPSA-N 374.553 6.194 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253617394 XIIAYQZJNBULGD-VRVSUWOASA-N 372.681 8.498 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc4ccccc34)cc2)c1 409118948 RKCUJMDFTYWMOL-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491525 HIAJCGFYHIANNA-VVUPLZHNSA-N 374.565 5.427 0 40 FKAB Cc1cccc(NC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)c1 1324177 SKUQQQWNGFTXFN-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB Cc1nc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2s1 1426071 QNSZAQXCDVLGFZ-UHFFFAOYSA-N 372.493 5.765 0 40 FKAB CCCc1cccc(CCC)c1NC(=O)Nc1cc(Cl)cc(Cl)c1 1590791 MGUFRJLCWKFTHT-UHFFFAOYSA-N 365.304 6.542 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 2064204 JYHAKDIAGKAWOS-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1c([C@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1C 2110973 MYYWIDVMDOBZME-DENIHFKCSA-N 360.501 5.046 0 40 FKAB biogenic Cc1ccc([C@@H]2Sc3ccccc3NC3=C2CCc2ccccc23)cc1 2193813 QJCJJBJXCCQGTC-DEOSSOPVSA-N 355.506 6.611 0 40 FKAB CC(C)Oc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 2232728 VVPWCQFDGAMCAV-MBSDFSHPSA-N 373.968 6.608 0 40 FKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1Cc1ccccc1 2362184 TXJXFGYZJYTMAT-UHFFFAOYSA-N 355.553 6.461 0 40 FKAB Cc1cccc(CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 2408762 MRCJZBDDCFWUFF-UHFFFAOYSA-N 366.877 5.070 0 40 FKAB Cc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)cc1 3331984 MHHHFYLDLLEKLT-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB O=C(Oc1cccc(-c2nnco2)c1)N(c1ccccc1)c1ccccc1 4853144 GZJTUOHXAMUUKX-UHFFFAOYSA-N 357.369 5.074 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2ccccc2)cc1 4866628 VQRZGCMNCCMDRL-UHFFFAOYSA-N 363.416 6.505 0 40 FKAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2C1 5688286 WBWBTRGMFZCZSA-OAHLLOKOSA-N 354.519 5.116 0 40 FKAB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1Cl 6332984 GFBKPTIOUBTSIJ-UHFFFAOYSA-N 374.267 5.777 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 8007478 FMIBSJOMNUXQSD-UHFFFAOYSA-N 354.409 5.569 0 40 FKAB Cc1nnc(SCc2cc(-c3ccccc3)on2)n1C1CCCCC1 8208766 PEZXDAMSOIVCHC-UHFFFAOYSA-N 354.479 5.039 0 40 FKAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc2ccccc12 11005580 FRNFVSOXBLARGN-UHFFFAOYSA-N 359.473 5.104 0 40 FKAB Cc1ccc(-c2n[nH]c(-c3ccc(C)cc3C)c2Br)c(C)c1 12396798 PLJTXDUWZIUITO-UHFFFAOYSA-N 355.279 5.740 0 40 FKAB Cc1cccc(C(=O)NCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 12804795 WRTSVZUKLJHYHH-UHFFFAOYSA-N 366.505 5.000 0 40 FKAB CC1CCC(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)CC1 12812360 BONGTGYXEHDUEO-UHFFFAOYSA-N 356.535 5.094 0 40 FKAB CC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13811275 VEABFLOWIVMCLR-IEBWSBKVSA-N 371.278 5.037 0 40 FKAB COc1ccc(C2(NCc3nc4ccccc4n3C(C)C)CCCC2)cc1 13998183 HHBDUFNHZOBSIB-UHFFFAOYSA-N 363.505 5.185 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 18088331 RIHCEBITYAQZIH-VZCXRCSSSA-N 352.528 5.986 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccccc3)n2c1 26687858 YGTJEWSUUHDXEZ-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)o1 29885025 LHZBFUGJAFMVIM-DYVFJYSZSA-N 353.393 5.074 0 40 FKAB O=C(Nc1ccccc1O)c1ccccc1-c1ccc(C(F)(F)F)cc1 32855795 LJAZDYQTCGZBBM-UHFFFAOYSA-N 357.331 5.330 0 40 FKAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 33325947 LGJPPCNUMHZLQB-SFHVURJKSA-N 364.514 5.571 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 38494893 GFHOQCXDABGYAL-LEQCJQSISA-N 360.538 5.166 0 40 FKAB COc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@H]32)cc1Cl 58182449 TVAMQIPGDCFUOV-HWWQOWPSSA-N 356.293 5.043 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351544 AULJURUPYDADCT-PGRDOPGGSA-N 367.533 5.636 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914677 PDFYDMTVIFSSKW-HXNVYPELSA-N 372.593 6.401 0 40 FKAB biogenic CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)c(Cl)c1 222914503 KGDBOEIGIJOHNB-IBGZPJMESA-N 359.897 5.742 0 40 FKAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccccc1Cl 225109331 MNTLUXFUIBAWCA-FQEVSTJZSA-N 368.816 5.207 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547341 OFOUYBXGQFQKCF-KRWDZBQOSA-N 369.480 5.844 0 40 FKAB CCOc1ccccc1NC(=S)N[C@H](C)CC(C)(C)c1ccccc1 225658613 PKGXUTAXANLZKW-MRXNPFEDSA-N 356.535 5.128 0 40 FKAB CCn1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc21 409148663 ZKIFQZJYACRPQD-XDHOZWIPSA-N 368.502 5.278 0 40 FKAB Cc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 409380449 DQMLVPRBAMMDRN-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccco3)n2)cc1 932727 KWGKVZVTDWRAMC-UHFFFAOYSA-N 364.426 5.152 0 40 FKAB CC(=O)c1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12 992712 FRERJFXDSXBTIJ-UHFFFAOYSA-N 367.404 5.324 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1Cl 1097936 VXKJEBYSXBEKQI-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB CCN(CC)c1ccc(N[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 1666866 OEDDKYYTZPXGJB-DNQXCXABSA-N 360.501 5.420 0 40 FKAB O=C(O)c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccc(F)cc12 1796621 OAFDKANKUYMJBE-VOTSOKGWSA-N 369.395 5.910 0 40 FKAB COc1cc2ccccc2cc1C(=O)Oc1ccc(C2CCCCC2)cc1 2050789 YWMRZTBEDCWQBX-UHFFFAOYSA-N 360.453 6.115 0 40 FKAB Cc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccccc4)cc3)c2c1 2239687 MZRVNPMUUREMGO-UHFFFAOYSA-N 354.453 5.116 0 40 FKAB biogenic Cc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 2292691 POROLJAOZJHHGN-UHFFFAOYSA-N 374.281 6.640 0 40 FKAB CCOc1ccc(C2(c3cccc(Br)c3)CCCCC2)cc1 2683928 UCVOUQJPWOSSGT-UHFFFAOYSA-N 359.307 6.098 0 40 FKAB Cc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N\c3ccc(F)cc3)c2c1 2887265 UBDCICAHFHGVDU-LKUDQCMESA-N 363.819 6.433 0 40 FKAB O=C(OCc1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)s1 3357640 OYUBYYCSSJEDGT-UHFFFAOYSA-N 369.442 5.521 0 40 FKAB Fc1ccc(-c2nnc(CSc3nc(-c4ccccc4)cs3)o2)cc1 3443868 CJJSZRAAKWTQPE-UHFFFAOYSA-N 369.446 5.292 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 4666145 KFENEBUJDVLQSC-UHFFFAOYSA-N 366.258 5.677 0 40 FKAB CCCCCC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC 4821819 MAUDLHHBQBJOBW-UHFFFAOYSA-N 359.491 5.419 0 40 FKAB CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1 5200541 KUFWOBQGWMJLPO-UHFFFAOYSA-N 353.425 5.231 0 40 FKAB Fc1cccc(Cl)c1Cn1c(COc2ccccc2)nc2ccccc21 5545697 XQPRSHFAIXTBAT-UHFFFAOYSA-N 366.823 5.456 0 40 FKAB CCOc1ccccc1C(=O)N(CC)c1nc(-c2ccc(C)cc2)cs1 6826537 FWQLLVIWHJSPEP-UHFFFAOYSA-N 366.486 5.184 0 40 FKAB Cc1c(Cl)c(CSc2nc(-c3cccs3)n[nH]2)nc2ccccc12 8231468 CDEKCWYFIAQESL-UHFFFAOYSA-N 372.906 5.336 0 40 FKAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccccc1Br 12931264 LWAGURTVHPIHGD-UHFFFAOYSA-N 360.251 5.023 0 40 FKAB CCOc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 14071248 MZSQZVZBFMDFFW-UHFFFAOYSA-N 361.869 5.153 0 40 FKAB Cc1c(C(=O)N[C@H](C)c2cccs2)oc2ccc(Br)cc12 14602672 XBFDQFFWTGAAST-SNVBAGLBSA-N 364.264 5.056 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1c(Cl)cccc1Cl 15581998 VXXVOYCDRIBCMR-UHFFFAOYSA-N 374.315 5.145 0 40 FKAB CC(C)C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 20456781 FTJXDGQXFCRHMK-LJQANCHMSA-N 361.938 5.477 0 40 FKAB CCC(CC)c1nnc(NC(=O)c2cc(Cl)sc2Cl)s1 24754962 VXZVFGKJNDRGBD-UHFFFAOYSA-N 350.296 5.062 0 40 FKAB Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1 28291859 FWIOCRCESMQGQZ-HSZRJFAPSA-N 364.533 5.075 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCCc4ccccc43)o2)cc1 29258419 IIGDLWHQZBWSOI-OAQYLSRUSA-N 373.452 5.299 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30860736 AKJLRUUQPNXQKK-QRWLVFNGSA-N 373.924 5.672 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)CNc1cc(Cl)cc(Cl)c1 36393718 KAMKXCPHMXABPD-UHFFFAOYSA-N 373.667 5.014 0 40 FKAB Cc1ccc(-c2c(C)sc3c2c(=O)nc2n3Cc3ccccc3-2)cc1C 36611909 GBXSKCAGOUUDTD-UHFFFAOYSA-N 358.466 5.079 0 40 FKAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(-c2cccs2)cs1 40020204 ASSPCZIDCIZKGK-UHFFFAOYSA-N 369.446 5.120 0 40 FKAB COc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1 57510780 XPOQYRJHEVEBGZ-UHFFFAOYSA-N 361.470 5.006 0 40 FKAB CC(C)C[C@@H](C)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 70039616 OQIPZDHWFUDGHP-SNVBAGLBSA-N 355.322 5.231 0 40 FKAB Clc1cc(-c2ccc(Br)cc2)nc(Cc2ccccc2)n1 78401350 YZBASVAIEHYPBV-UHFFFAOYSA-N 359.654 5.150 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccc(C)cc1 95482116 CCDUWWRHMZUEOD-UHFFFAOYSA-N 369.442 5.054 0 40 FKAB CC(=O)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1 95947814 NLKOJOSVXHAPBO-UHFFFAOYSA-N 370.499 5.247 0 40 FKAB CCOCc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC 224695375 AGYJYTHIKYUYBI-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CC(C)(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958024 GEXHMHPBZFJISY-UHFFFAOYSA-N 354.837 5.190 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225381780 IUULONSTYHRKAH-ZDUSSCGKSA-N 350.289 5.366 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225841615 DMNNZIPLQFTZTM-HSZRJFAPSA-N 371.521 5.797 0 40 FKAB O=C1c2ccccc2CN1c1cccc(-c2nc3cc(Cl)ccc3o2)c1 226287337 RBSSUYHQVXFQKR-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB CC(C)CCC[C@@]1(C)Oc2ccccc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257243959 IJHKZVDERCNLOB-KSEOMHKRSA-N 357.538 5.111 0 40 FKAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccccc1C(F)(F)F 575618733 BRXFBAYYJLGECR-GFCCVEGCSA-N 363.404 5.281 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc4ccccc4c3)s2)c1 586565292 PZFYSLMVMFSOHQ-UHFFFAOYSA-N 357.478 6.437 0 40 FKAB Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(C)C 832682 YZEWDOAIMZCFOG-UHFFFAOYSA-N 363.573 6.061 0 40 FKAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(Cl)c1C 948621 MZUJMRSRJAHPJP-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Clc1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl 1580843 YMEGRHRBQLZTKN-UHFFFAOYSA-N 360.027 6.017 0 40 FKAB CCCCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 1783266 DSCWYGRWEOTBDW-UHFFFAOYSA-N 369.505 5.571 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 2352861 CDSZZADGGNGWIQ-HSZRJFAPSA-N 369.508 5.865 0 40 FKAB O=C(C[C@H](SCc1ccco1)c1ccc(F)cc1)c1ccc(Cl)cc1 2708523 AGAOTMACFXQZBY-FQEVSTJZSA-N 374.864 6.320 0 40 FKAB Cc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1Br 3152709 UUFNINKRUGXBPZ-UHFFFAOYSA-N 355.239 5.035 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 3187365 VZIRBBDZHJOUOP-UHFFFAOYSA-N 359.469 6.175 0 40 FKAB O=C(NC1CCCCCC1)c1cn(-c2ccccc2)nc1-c1cccs1 3283175 GNPVRMNWOVPDJZ-UHFFFAOYSA-N 365.502 5.053 0 40 FKAB C[C@@H]1CCc2c(sc3nc(CSc4ccccc4)nc(Cl)c23)C1 3886944 DOKVFLZORVZYAB-LLVKDONJSA-N 360.935 5.762 0 40 FKAB O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2c1 4249089 JTFBVBCLKWVXFU-UHFFFAOYSA-N 371.465 5.061 0 40 FKAB CC1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 4282021 ZANPOYAXSSKGTP-BGWLNWIQSA-N 366.892 5.790 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C 4292908 CPCJRYTXAKLNNM-OGNUZGJXSA-N 358.522 5.086 0 40 FKAB CCCN1C(=O)C(C)=C(C)[C@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 4748744 DRZSEQXYUCDPEC-QHCPKHFHSA-N 372.512 5.783 0 40 FKAB CCCCCCOCCOc1ccccc1OCCOCCCCCC 5297640 QCDYLVMWZQQGCV-UHFFFAOYSA-N 366.542 5.638 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 5734908 RPKLZQLYODPWTM-KXXKBDANSA-N 360.582 6.536 0 40 FKAB in-vitro O=C(NCc1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1 5737912 YJVFAOPQCKVIDH-UHFFFAOYSA-N 367.901 5.562 0 40 FKAB O=C(c1ccc2ccccc2n1)N(CCc1ccccc1)Cc1cccs1 8231104 RCQNUGGYWUSVCO-UHFFFAOYSA-N 372.493 5.181 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccc(F)cc1 8471561 WFJBCKYZSLHTAF-UHFFFAOYSA-N 357.469 5.226 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3cccs3)c2C1)CCCC4 12610100 GUEUNTDAVKRCTL-CYBMUJFWSA-N 353.556 6.419 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1 12618046 QBJPQGZLGJRLGN-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(C)nn3-c2cccc(F)c2)cc1 15084898 DSCNTGHOOUMQCF-IBGZPJMESA-N 367.449 5.215 0 40 FKAB O=[P@]1(Nc2ccccc2)OCCCN1Cc1ccc(Cl)c(Cl)c1 17380883 UQRUMXNNLCPJRN-HSZRJFAPSA-N 371.204 5.436 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20050324 NDBSMPAOSBQREV-PZJWPPBQSA-N 353.506 5.283 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 20459157 MHWFZQAXCBUOQA-HOTGVXAUSA-N 371.546 5.351 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 20459159 MHWFZQAXCBUOQA-CVEARBPZSA-N 371.546 5.351 0 40 FKAB Cc1ccccc1-n1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O 26957641 RZBIUSJSHPLBNB-CCEZHUSRSA-N 372.855 5.518 0 40 FKAB Cc1ccn(-c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)n1 28219775 FJTJETDHQXEWLD-UHFFFAOYSA-N 361.232 5.132 0 40 FKAB Cc1[nH]c(SCc2cc(-c3ccccc3)no2)nc1Cc1ccccc1 29866394 RRASBOTZGMKOPG-UHFFFAOYSA-N 361.470 5.256 0 40 FKAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(CSC(F)F)o1 32771111 CIUOYHNALVQQNG-UHFFFAOYSA-N 367.417 5.309 0 40 FKAB CCCCCCOc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 43214347 PBAIBQXPTJGEBT-UHFFFAOYSA-N 362.510 5.732 0 40 FKAB Cc1ccc(-c2csc3ncnc(NCc4c(C)noc4C)c23)cc1C 63255264 YROUELHMORKAOL-UHFFFAOYSA-N 364.474 5.192 0 40 FKAB Cc1cc(C)c2nc(-c3cccc4c(Br)cccc34)[nH]c2c1 70462757 YXIHQRPYSZRALU-UHFFFAOYSA-N 351.247 5.762 0 40 FKAB CCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214936 NHKRJQUCCQUWAC-GOSISDBHSA-N 361.530 5.169 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217690 NGCFOKAVIZMKCH-SFHVURJKSA-N 370.518 5.695 0 40 FKAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC[C@@H]2CCC[C@H]21 75104804 XJKQFOYEAZMGJL-GHTZIAJQSA-N 356.510 5.332 0 40 FKAB Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)c3ccn(C(C)C)n3)s2)cc1 95399617 GKSSGNGRCWWNJX-OAHLLOKOSA-N 369.490 5.122 0 40 FKAB CC/C(=C\C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(C)cc1 96035185 MQMJRHAOQDBMBO-DTQAZKPQSA-N 350.487 5.057 0 40 FKAB Clc1ccc(C2=C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 102946985 KSUIICURLSOGLF-OAQYLSRUSA-N 357.844 5.746 0 40 FKAB CCCC[Sn](CCCC)(CCCC)n1ccnc1 195770518 GNABDJMISKSNIQ-UHFFFAOYSA-N 357.130 5.077 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224426678 IOJCSALKSHHDKS-KRWDZBQOSA-N 359.469 5.270 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)c1ccccc1 225723818 KIQZKJKAXONYNV-CPNJWEJPSA-N 371.358 5.155 0 40 FKAB Oc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc12 253536642 ZQDWMFJBSDABST-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1C 632707 ZMCLJUFHVOLFJC-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB Cc1cnn([C@@H](C(=O)c2ccccc2)c2ccccc2)c1-c1ccccc1 1558145 XVEFTMKDXXERIE-HSZRJFAPSA-N 352.437 5.331 0 40 FKAB O=C(c1ccccc1)n1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21 1758664 OYYIXNXBNRQNPY-UHFFFAOYSA-N 373.455 6.664 0 40 FKAB CCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 4079333 RQKIDQXMXJEKSZ-UHFFFAOYSA-N 353.447 5.161 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccco3)C2)cc1 4368167 MCFOZMYBXAZCFV-IBGZPJMESA-N 364.832 5.233 0 40 FKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C)c1 4673409 SDJKEPNTOIZGSK-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB CCCCOCCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 4699223 IDQUKJSMJVRASN-ODPUSEOTSA-N 363.545 5.922 0 40 FKAB CCOc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 5403609 ZKIREYORLTZNKY-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 6570315 INFCOTAAOFCAMX-QGZVFWFLSA-N 352.478 5.107 0 40 FKAB CCC[C@]12CCC3=C(CCc4cc(OC)ccc43)C1=CC[C@H]2OC(C)=O 6891192 OVQXJBAKFUQMPB-PKTZIBPZSA-N 352.474 5.237 0 40 FKAB Cc1ccc(-c2onc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc23)cc1 9528955 DKOLJCPQYSPORV-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)/C(=C/c1ccccc1Cl)c1ccccc1 10449658 OLYPZZCACRJMLN-GFXBCDTMSA-N 373.883 5.858 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 14257913 YYHNZNQGWAFLFG-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1Cl 14665277 TYNXZWLRUIEUOH-GFCCVEGCSA-N 366.288 5.697 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 15188156 IBBHEQXRACLNGJ-JKNWUDPLSA-N 364.316 6.261 0 40 FKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1F 17190715 VPRLOMPXBZJNSP-LVWGJNHUSA-N 358.372 5.057 0 40 FKAB Clc1cccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 19842170 MYHMUCGHSKHLRT-UHFFFAOYSA-N 368.952 5.184 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)CCc1ccccc1 20040588 ISPUUMSGSPKGJV-FDDCHVKYSA-N 361.485 5.135 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29507171 LSIZSTFLMMOCGK-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57412197 LRKMAMBJWOGUIQ-UHFFFAOYSA-N 353.853 5.325 0 40 FKAB Cc1cc(NC(=O)C(C)C)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 70462028 NUSLRFJUUWMPEI-UHFFFAOYSA-N 352.434 5.227 0 40 FKAB Cc1nc(-c2cccc(NC(=O)[C@H](c3ccccc3)n3cccc3)c2)cs1 70636915 GGAWBCAFRCRZHF-NRFANRHFSA-N 373.481 5.148 0 40 FKAB COc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(C)cc1)C(C)(C)N2 103899756 RJKFPWYGMDDXSX-XUTLUUPISA-N 368.527 5.687 0 40 FKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@]12C 118917657 BVOSELRYSDLZIT-NCEGCGGISA-N 374.594 5.150 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969688 BEZWOFIORYCWAL-QRWLVFNGSA-N 371.908 5.254 0 40 FKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1 224085043 RJIGYKKHAZRZCL-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882204 NNZCJISPJBGVQH-AWEZNQCLSA-N 373.758 5.035 0 40 FKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OC)c(C)c1 225743143 AFMZACNSWBSSBA-UHFFFAOYSA-N 363.542 5.508 0 40 FKAB Cc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c(C)c1 225841628 OZWZMKDXLRGAND-UHFFFAOYSA-N 358.938 5.713 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1Cl)N2 247398698 MSLRJSCPYNQFKI-ROILNYFKSA-N 353.849 5.335 0 40 FKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C(C)C)cc3)N21 260752895 AHMJIWIHTRRBKG-RLLQIKCJSA-N 351.519 5.184 0 40 FKAB O=C(Nc1ccc(Br)cc1)c1cc2c(ccc3ccccc32)o1 408565442 KTHXOBAZPGLDGM-UHFFFAOYSA-N 366.214 5.601 0 40 FKAB O=C(CSCc1cccc2ccccc12)Nc1ccc2ccccc2c1 716723 HNEGVSPOAPKZBO-UHFFFAOYSA-N 357.478 5.865 0 40 FKAB Cc1cc(-c2noc(COc3ccc(Cl)c(C)c3)n2)c2ccccc2n1 1429931 HLORXKLHKBJTKD-UHFFFAOYSA-N 365.820 5.134 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1C 1807526 OZSNCRLNDBCKEO-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB CN(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1 1868524 LQFFMWFJFIMQCQ-UHFFFAOYSA-N 361.542 5.552 0 40 FKAB C[C@@H](NCC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 2134465 SFBCUWBQBAYOEK-YKSBVNFPSA-N 351.534 5.545 0 40 FKAB biogenic Cc1cc2ncn(C(=O)[C@H](Sc3ccccc3)c3ccccc3)c2cc1C 2357383 IJZSYEWMTHBAAF-JOCHJYFZSA-N 372.493 5.827 0 40 FKAB CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccc(F)cc1 2418575 CREJVELYLQNZMA-NRFANRHFSA-N 365.448 5.184 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(F)cc3F)ccc21 3229596 WELRXVGLNNKJAO-UHFFFAOYSA-N 350.368 5.345 0 40 FKAB CCCOP(=O)(OCCC)C1(Nc2ccc(C)cc2)CCCCC1 4013171 FZACXQZFKOSSKN-UHFFFAOYSA-N 353.443 6.114 0 40 FKAB FC(F)(F)c1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1 4667774 FRIBXKOENKPBGC-IZZDOVSWSA-N 372.375 5.042 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cs1 4679819 NPIPJAZGFIZHIS-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459517 UCSZGYGQSUYXCR-UNMCSNQZSA-N 357.432 5.630 0 40 FKAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 6148211 YHJXVMLYTAOWOC-UHFFFAOYSA-N 355.482 5.211 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6273708 CMOPPOCIRMANBF-UHFFFAOYSA-N 369.505 5.189 0 40 FKAB Clc1cc(Cl)cc(-c2ccc(CNC3CCCCCCC3)o2)c1 7524797 QUEDJECAPQXMRB-UHFFFAOYSA-N 352.305 6.456 0 40 FKAB CCCC(=O)Nc1ccc2oc(-c3nnc(-c4ccccc4)o3)c(C)c2c1 8188424 YAYUFVSVRFVTDL-UHFFFAOYSA-N 361.401 5.197 0 40 FKAB O=C(Nc1ccccc1N1CCCC1)c1cccc2c(Cl)cccc12 9064362 BELDBUKOUPWNBA-UHFFFAOYSA-N 350.849 5.346 0 40 FKAB CC(=O)N[C@@H](C)c1ccc(C(=O)c2cc3c(ccc4ccccc43)o2)cc1 12999112 RJODBOFYLKGHOX-AWEZNQCLSA-N 357.409 5.014 0 40 FKAB COc1ccc(-c2ccccc2)cc1NCc1cc2cc(C)ccc2[nH]c1=O 13086667 IOASBVLGMFXSNM-UHFFFAOYSA-N 370.452 5.124 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 13710250 GDDOCCSBMIBZGA-GOSISDBHSA-N 361.441 5.502 0 40 FKAB Cn1cc([C@@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)c2ccccc21 13942385 LKCDZTVHFHBFPT-QHCPKHFHSA-N 370.427 5.063 0 40 FKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 59241711 ZGCRJRHMGYFTAV-UHFFFAOYSA-N 369.873 5.509 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351351 IXPUWZMXXGSPNT-PGRDOPGGSA-N 367.533 5.636 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 72214699 SCMHPBPKBOWNEA-GOSISDBHSA-N 361.530 5.169 0 40 FKAB O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1CCCC[C@@H]1C(F)(F)F 84374437 LWCHLSPIPBJEGL-KBPBESRZSA-N 369.412 5.053 0 40 FKAB Cc1cc(Br)ccc1-c1ccc(-c2nc3ccccc3[nH]2)o1 85345538 PQXZZELCYQECJU-UHFFFAOYSA-N 353.219 5.561 0 40 FKAB O=[S@](CCSc1nc2ccccc2o1)c1cc(Cl)ccc1Cl 95357330 KIMIOMRIAZZQPO-QFIPXVFZSA-N 372.298 5.035 0 40 FKAB CC1(C)CC(O)=C[C@]2(C1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 103526476 SCHHRCFWQAPNPZ-DYESRHJHSA-N 366.486 5.250 0 40 FKAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934647 ZFTMPARDUAODSX-XDLPRJHNSA-N 360.538 5.024 0 40 FKAB C[C@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 216799345 AETRIGPAXQQEJN-GASCZTMLSA-N 354.881 5.626 0 40 FKAB CC(C)Oc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 222688158 HJENXIAVJLMTAX-UHFFFAOYSA-N 363.910 5.638 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)c(C)c1 222856511 GAOJTIATAXJMGH-UZLBHIALSA-N 359.897 5.300 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223438870 LWVRXQDCFJWBCW-PMACEKPBSA-N 369.505 5.045 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)on2)cc1 1775975077 DGIUDFGVOUSCMQ-LRDDRELGSA-N 365.260 5.180 0 40 FKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c3ccccc3n2)cc1 716259 OJJRUNVHMMOZLW-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(C)c1 892233 MRXGOUZQCNGKSQ-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB COc1ccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCCCC5)cc1 2151786 MAKWZJRYZOAUPR-UHFFFAOYSA-N 374.436 5.792 0 40 FKAB biogenic CCCCc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 2760869 VWBWDDKFROIHIR-UHFFFAOYSA-N 367.880 5.180 0 40 FKAB Cc1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 3082423 NETDBPYNABJSNF-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(Cl)cc2)nc2cnccn12 3896549 RCTZYMBRKFCAJC-UHFFFAOYSA-N 362.864 5.664 0 40 FKAB C[C@@H](NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 4028040 GUYRJBUAYYRZRL-PTUXOGIPSA-N 351.534 5.716 0 40 FKAB Cc1ccc(NC(=O)Cc2cc3ccccc3n2Cc2ccccc2)cc1 4456044 DLZUDAPYJXECHM-UHFFFAOYSA-N 354.453 5.179 0 40 FKAB CCCCOc1ccc(-c2noc(C3CCC(CCCC)CC3)n2)cc1 4587636 OZFFDVUGLLBMQA-UHFFFAOYSA-N 356.510 6.380 0 40 FKAB O=C(c1ccccc1Br)n1c2ccccc2c2ccccc21 4785663 DLCQNRDYPOAMGK-UHFFFAOYSA-N 350.215 5.246 0 40 FKAB Cc1cccc(-c2nnc(SCc3cccc(Br)c3)o2)c1 4926759 FGORTAPTVVZTEX-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB Cc1cccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1 5344955 BFUAOVQPQCXEOW-UHFFFAOYSA-N 370.500 6.054 0 40 FKAB S=C(Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 5553070 LPHHXYWWIUGMIV-UHFFFAOYSA-N 366.100 6.109 0 40 FKAB CCC[C@H](C)N(CCCNc1cc(OC)cc2cccnc12)CC(C)C 5839079 JIXMWYDHDHDAHY-SFHVURJKSA-N 357.542 5.192 0 40 FKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc[nH]1 6028781 GGBMMCUWQVRSBQ-UHFFFAOYSA-N 359.454 5.047 0 40 FKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCc3ccccc32)cc1 6510730 YUERXIYIMFZQAX-HSZRJFAPSA-N 356.469 5.128 0 40 FKAB Cc1nc(C)c(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)s1 7996316 ASOXBMMQKJWLKM-UHFFFAOYSA-N 363.895 5.098 0 40 FKAB CCc1s/c(=N\C(=O)c2ccc(C)cc2Cl)n(C)c1-c1ccccc1 8080385 JDIJYWAMIMHKAU-XDOYNYLZSA-N 370.905 5.019 0 40 FKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1ccc(F)cc1 9594265 ZJPUJGNKRBUTDM-UHFFFAOYSA-N 363.461 5.550 0 40 FKAB CCOc1ccc(-c2csc(-c3ccc(NC(=O)CC)cc3)n2)cc1 12773824 DNQGXECVYWUOKD-UHFFFAOYSA-N 352.459 5.224 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(SC)c1 20460789 AHPBIUWZUSSDFW-FQEVSTJZSA-N 351.471 5.358 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)c(C)c1 20672197 VGRWZZIPHVCSBT-CQSZACIVSA-N 363.436 5.137 0 40 FKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccccc2Cl)cc1 22072987 AMAGVRWAVPOPEH-UHFFFAOYSA-N 365.864 5.854 0 40 FKAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 26805858 VOZHMQWPVDBOBM-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)c3ccccc3)s2)cc1C 32910151 BMJVXCNNQDZEOL-CQSZACIVSA-N 369.515 5.262 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 44880582 DMSNWFKZDVYZTA-LAUBAEHRSA-N 353.506 5.327 0 40 FKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59267346 XHGUPOBQTWASQC-LLVKDONJSA-N 357.759 5.073 0 40 FKAB Clc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1 72357688 RAJOKPJRLUOBKX-JOCHJYFZSA-N 363.892 5.058 0 40 FKAB CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635341 LTZWMEATYGPOQB-UHFFFAOYSA-N 352.242 5.447 0 40 FKAB CCCCCCCCCCCC[C@@H](C(=O)O)c1cccc2ccccc12 81948306 QKIFRGHSBSAKFI-HSZRJFAPSA-N 354.534 7.319 0 40 FKAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 95115903 ZQJKPFYYUXROKH-SFHVURJKSA-N 368.795 5.064 0 40 FKAB CC(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 216297054 XHSWXAYEMLMWQI-JARZOMNASA-N 362.300 5.910 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219304946 KESAUAPAJBJQSE-FQEVSTJZSA-N 367.533 5.252 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 223012037 FMEAVPOLOBTUSZ-INIZCTEOSA-N 368.260 5.107 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223096035 ZXBIYXGXPKCYPU-YCRPNKLZSA-N 371.908 5.254 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 224787185 VVGPEJILCBASRR-RTWAWAEBSA-N 369.505 5.045 0 40 FKAB O=C(N1CCc2cc(-c3ccncc3)ccc21)C1(c2cccs2)CCCC1 225638535 KVGBEHZAEFAHEE-UHFFFAOYSA-N 374.509 5.211 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225718299 IGKFCAMJNZOOLM-AOMKIAJQSA-N 361.526 5.406 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225821181 XBRVQXQDYJNMDX-HSZRJFAPSA-N 371.521 5.654 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc1 409117176 KZALBUKGWJZEML-UHFFFAOYSA-N 363.457 5.285 0 40 FKAB C[C@@H](CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(C)(C)C 575360339 BXROJDFWHNSPOX-JTQLQIEISA-N 354.334 6.369 0 40 FKAB Cc1sc(NC(=O)/C=C/c2ccccc2Cl)nc1-c1ccccc1 672789 VBFIIBBMIMIWHI-VAWYXSNFSA-N 354.862 5.424 0 40 FKAB O=C(c1ccccc1Br)N(c1ccccc1)c1ccccc1 873027 SWZJWRNXVVAHGD-UHFFFAOYSA-N 352.231 5.428 0 40 FKAB CCOc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)cc1 958728 BRIAXUXTUXJMKY-UHFFFAOYSA-N 363.442 5.206 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)c(C)c1 995343 NGAVJZVZPUJXSS-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 997269 PHTBAUCMXIYRJD-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CC(C)c1ccc(O[P@](C)(=O)Nc2cc(Cl)ccc2Cl)cc1 1262673 YVTSKQSIRZYROO-QFIPXVFZSA-N 358.205 6.431 0 40 FKAB COc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)c2ccccc12 1383994 GFMTXMAIPNJEGQ-UHFFFAOYSA-N 362.816 5.751 0 40 FKAB O=C(Cc1ccccc1)CC(CC(=O)Cc1ccccc1)c1ccccc1 1577821 WDMXZYRNDBBMLN-UHFFFAOYSA-N 356.465 5.174 0 40 FKAB COC(=O)[C@H](c1ccccc1)[C@H](SCc1ccccc1)c1ccccc1 1734650 CNLXKOBPBLLNJC-FGZHOGPDSA-N 362.494 5.618 0 40 FKAB COc1ccc([C@]2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1 2063450 QKSWQXUXRQUBIF-AREMUKBSSA-N 364.444 6.198 0 40 FKAB CCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2212218 SNVUYWLHSVQXMD-UHFFFAOYSA-N 368.550 5.529 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(OC)cc3)c2)cc1 2275113 DVPUSOOTAQGBQK-UHFFFAOYSA-N 367.448 6.100 0 40 FKAB COc1cc(OC)cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1 2312398 UVZBTYVOYQACON-UHFFFAOYSA-N 362.454 5.489 0 40 FKAB Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1 2569353 BQHCQAQLTCQFJZ-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro O=C(Nc1c(Cl)cc(Cl)cc1Cl)Nc1cccc2ccccc12 3080513 PBTPRSUPFUAYNJ-UHFFFAOYSA-N 365.647 6.444 0 40 FKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cccc(Cl)c1 3175041 LUBUFCCALYKLPW-UHFFFAOYSA-N 370.833 5.517 0 40 FKAB CCCCNC(=O)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1 3359955 JFHCYJVEKQAQGJ-UHFFFAOYSA-N 357.420 5.372 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(OC)ccc1Br 3552221 HZFUWTQWLATYNY-GFCCVEGCSA-N 362.267 5.224 0 40 FKAB Cc1cccc(-c2nc(C)c(CCNC(=O)c3ccc(Cl)cc3)s2)c1 4392488 JQHGQQVOKQIHJY-UHFFFAOYSA-N 370.905 5.053 0 40 FKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc4ccccc24)N3)C1 4545478 ILAJTFROHWFNHI-XCLFUZPHSA-N 362.498 5.845 0 40 FKAB COc1cccc(CNCc2cccs2)c1OCc1ccccc1Cl 5019717 VNVXGBAWEGQPKT-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB O=C(N[C@@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 5444972 BSOSXWKGDYXGEQ-ZDUSSCGKSA-N 363.071 5.181 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2o1 5628828 NEALMXFGEGYTFW-CQSZACIVSA-N 354.475 5.379 0 40 FKAB CC[C@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1ccc(C(C)C)cc1 6489276 AAHZXAGVHHRLCY-AZBRQXRYSA-N 367.577 6.374 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 6561419 MZJXKJYKYHMJBW-RBUKOAKNSA-N 366.549 5.783 0 40 FKAB Cc1ccc(C)n1N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 8475565 LMQIELXAFYLKSC-UHFFFAOYSA-N 373.283 5.390 0 40 FKAB CCCCCCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 9008223 CWVZBNBOWPSEKZ-UHFFFAOYSA-N 370.543 5.423 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)oc2cc1C 10120307 ZNLODKVUYZJDSB-UHFFFAOYSA-N 374.415 5.181 0 40 FKAB CC(C)OC(=O)Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1 11692351 KTLCNLWSNAPAIE-UHFFFAOYSA-N 361.266 5.131 0 40 FKAB COc1cc(/C=C/C(=O)Oc2ccccc2)cc(Cl)c1OCC(C)C 13056311 FCTFVSRIZUACNA-MDZDMXLPSA-N 360.837 5.002 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1c(Cl)cccc1Cl 13670684 KSUIKIQULZETKB-GFCCVEGCSA-N 366.313 5.204 0 40 FKAB Fc1ccc(NC(=S)Nc2ccccc2Sc2ccccc2)cc1 13935233 LUARFXFKGBKEPR-UHFFFAOYSA-N 354.475 5.786 0 40 FKAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc(F)cc1)c1ccccc1 14129461 ACOMTTAIWGIVGI-QFIPXVFZSA-N 358.416 5.021 0 40 FKAB Cc1ccc(C)c(CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 16842908 KFFSTVPFUCDOHC-UHFFFAOYSA-N 373.525 5.922 0 40 FKAB CCCc1ccc(-c2nc(NC(=O)Cc3csc(C)n3)sc2C)cc1 27147557 PPNXNGFGSKCNLG-UHFFFAOYSA-N 371.531 5.017 0 40 FKAB CCc1ccc(C(=O)C[C@@H](Nc2ccccc2)c2ccc(OC)cc2)cc1 32117622 JIYLUHOFIPDKKQ-HSZRJFAPSA-N 359.469 5.684 0 40 FKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)cc1 44086057 KSKVQBRABBGSME-UHFFFAOYSA-N 356.494 6.140 0 40 FKAB Cc1ccc2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352872 DPKCROVJPNYZOQ-UHFFFAOYSA-N 357.438 6.157 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219572753 ABKFUEXSYOMXPO-KXBFYZLASA-N 357.469 5.158 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl 222853045 CAHOLDBBTQXPRQ-UZLBHIALSA-N 359.897 5.319 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1C 222914175 SSIGKSSAOINCIC-IBGZPJMESA-N 359.897 5.742 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(C)C 224897119 NETGZNAJWNHVPJ-UHFFFAOYSA-N 367.367 5.278 0 40 FKAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225055572 QDGHZFXWBHSLFZ-UHFFFAOYSA-N 359.878 5.017 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1C 225714821 QQQNRDZWDCSSAQ-QGZVFWFLSA-N 362.926 5.403 0 40 FKAB CCc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1 225767610 PIPQNYBIYDDLAG-QHCPKHFHSA-N 374.553 5.942 0 40 FKAB COc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408906569 HPABVTVHAZATSF-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1 409118188 PCEPVLKTKCXCGB-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(=O)OC(C)(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358980 KKNRXHLXSIPVCF-UHFFFAOYSA-N 373.452 5.681 0 40 FKAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 611945307 CKALIQMAGGEHCO-IPYPFGDCSA-N 357.416 5.086 0 40 FKAB C[C@@H]1C[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)c(F)c2)OC1=O 1547139905 IAUIVYMRTAWCOT-OVWKYPIYSA-N 353.220 5.540 0 40 FKAB Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 888330 WLACSXCCZQFYAT-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccco3)C2)cc1 1296974 MCFOZMYBXAZCFV-LJQANCHMSA-N 364.832 5.233 0 40 FKAB Clc1cccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)c1 1386015 IXLCOQHRQFLSQK-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1ccccc1C(F)(F)F 2516776 NKYMKPLFDPPQRT-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB Cc1ccnc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 3216969 QUKBEVXNHWEFTF-UHFFFAOYSA-N 374.380 6.107 0 40 FKAB Cc1ccc(N(C(=O)c2ccccc2Cl)C2=NC(C)(C)CS2)c(C)c1 3239587 WAHVJAXVMANXTF-UHFFFAOYSA-N 372.921 5.485 0 40 FKAB CC(C)[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 3263807 GWZNAOLZDWTEBX-INIZCTEOSA-N 356.680 6.025 0 40 FKAB Cc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1Cl 3278401 HLOYVEJSLMQPOL-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB CN(C)[C@H](CNc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 3292759 MPJJZHSHJRKEOI-LJQANCHMSA-N 374.513 5.073 0 40 FKAB CO[P@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(Br)cc1 4897899 GXANEENDZKQGIC-YSAGGZBMSA-N 367.179 5.035 0 40 FKAB Clc1ccc(-c2nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1 5974172 QXFPTCDQUPDGJJ-UHFFFAOYSA-N 362.904 6.351 0 40 FKAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 6045470 MSLRJSCPYNQFKI-MSICBTANSA-N 353.849 5.335 0 40 FKAB Clc1cccc(Cl)c1OCCCN1CCCC[C@@H]1c1cccnc1 6719322 HEVDIZXZUJELDS-GOSISDBHSA-N 365.304 5.385 0 40 FKAB biogenic COc1cc(C)c(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 8752184 TUNCIGYGUIBARO-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 10506508 IGXOFMQJALKBPC-UHFFFAOYSA-N 374.444 5.141 0 40 FKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2C(C)C)s1 12778097 LDWZDSVJSQFGTH-UHFFFAOYSA-N 368.477 5.562 0 40 FKAB Cc1c(Cl)cccc1/N=c1\ssc2c1-c1ccccc1NC2(C)C 13787417 ZKRWSQJSYIBLHD-UZYVYHOESA-N 372.946 6.331 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 14257937 CIWNVTFNRRFIEL-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 14268942 HTSKDDGXVVPFKL-HVRVZBDQSA-N 362.517 5.841 0 40 FKAB Cc1cc(C)c(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c(C)c1 14426275 DIMNRWJBBMGJHE-VAWYXSNFSA-N 359.473 5.066 0 40 FKAB Cc1ccc2oc(-c3cc(NC(=O)C4CCCCC4)ccc3O)nc2c1 15833166 DPZCOKARHMQUMT-UHFFFAOYSA-N 350.418 5.028 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(C)cc3C)c3ccccc3o2)cc1 17186285 HNHXAZDNSUCOEV-YYDJUVGSSA-N 355.437 5.958 0 40 FKAB biogenic CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1C 19931612 UDRORSKHSMEBOM-LJQANCHMSA-N 353.849 5.598 0 40 FKAB O=C(O)C/C(=C/c1ccccc1C(F)(F)F)c1nc2ccccc2s1 28495899 MQZTWPLJGRESND-XFXZXTDPSA-N 363.360 5.330 0 40 FKAB CC1=CN(c2cccc(Cl)c2Cl)C(=O)N(c2ccccc2)N=C1C 28526919 ZTCLWMPHEKCPTQ-UHFFFAOYSA-N 360.244 5.720 0 40 FKAB Clc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 33718487 AIFILSRZCDWGNR-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB CC1=C[C@@H](CNC2CCC2)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 77262171 HILXSGUSLUJUQM-ZJOUEHCJSA-N 365.565 5.411 0 40 FKAB biogenic,in-vitro COC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 216890212 XZKXTFJWGGKKQV-ZRDIBKRKSA-N 352.817 5.258 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(N2CCCCC2)cc1 224125490 XHDBEGCODNOPJY-UHFFFAOYSA-N 356.469 5.181 0 40 FKAB CCOCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC 224695650 CGBJKQUXNAIPOM-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225665445 IJRROPUHENNOKO-TVTNDZMWSA-N 361.526 5.486 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC(C)CC1 225668040 VIAWNTCTUVCODU-UHFFFAOYSA-N 359.510 5.322 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C(C)C)cc1 225677063 ITNNAZWVDGHNEJ-LJQANCHMSA-N 368.546 5.707 0 40 FKAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)cc1 408996105 OCQZJBIZUFYHNE-VSKRKVRLSA-N 355.437 5.164 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc2ccccc12 1107985 CHIJPVKSKOTGMX-UHFFFAOYSA-N 361.485 6.104 0 40 FKAB Fc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1 1327160 RBKSQUXRXWJKSO-UHFFFAOYSA-N 371.506 5.012 0 40 FKAB Cc1c(NC(=O)c2cccc(Cl)c2)cccc1-c1nc2ccccc2o1 1413949 IGUKTOPGSMRHLQ-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1oc2cc(OC(=O)C3CCCCC3)ccc2c(=O)c1-c1ccccc1 1447970 SZPWOYWUWUOECQ-UHFFFAOYSA-N 362.425 5.254 0 40 FKAB biogenic CCCCN(CCCC)CC[C@H](O)c1cc2c(c3ccccc13)CCCC2 1596786 DYLWYXWERCOYOB-VWLOTQADSA-N 367.577 6.044 0 40 FKAB Clc1ccc([C@H](CCNCc2ccccn2)Cc2ccccc2)cc1 2216378 NHZCBGAYEWCYOL-HXUWFJFHSA-N 350.893 5.241 0 40 FKAB CCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 3028427 SEFNWHLHZUKIJU-JWGURIENSA-N 371.436 5.363 0 40 FKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c(C)c1 3230494 HFIROYSPAJUBPQ-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CC[C@@H]2OCc1ccccc1 3849992 ZSXQKJCUWHUJJR-CMDGYKDHSA-N 364.573 6.781 0 40 FKAB Cc1ccc(CSc2nnc(-c3cccc(C(F)(F)F)c3)n2C)cc1 4105957 SFMXKNDDMRQDNZ-UHFFFAOYSA-N 363.408 5.102 0 40 FKAB Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)c2c1CC(C)(C)O2 4108917 LRPHRGVWXDXKAX-UHFFFAOYSA-N 365.260 5.659 0 40 FKAB CCc1ccc(O[P@@](C)(=O)Nc2ccccc2Br)cc1 4119556 IUVFTTGRYVHOQC-HXUWFJFHSA-N 354.184 5.325 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 5003867 KSHDPEXMIGNESW-UHFFFAOYSA-N 369.461 5.075 0 40 FKAB Cc1cc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc2cc1Cl 5737181 IUEGQILCVSBVGJ-UHFFFAOYSA-N 360.866 5.298 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1F 6218336 FSKPSQDYVQREKX-UHFFFAOYSA-N 372.352 5.194 0 40 FKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 7558023 KOTWQYCSOKMODE-OAQYLSRUSA-N 362.498 5.080 0 40 FKAB Cc1cccc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1 11689795 PBGHQXBQXJMZEY-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1cccc(C(F)(F)F)c1 13072016 VKEAZXHAHYAVBS-UHFFFAOYSA-N 363.423 6.133 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 14399262 HLJDJIVRPRIXAF-UHFFFAOYSA-N 365.860 5.805 0 40 FKAB Cc1c(-c2ccc(F)cc2)nn(-c2ccc(F)cc2)c1-c1ccc(F)cc1 17074861 LCHXRZLXSCVDAG-UHFFFAOYSA-N 364.370 5.932 0 40 FKAB CCc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCCCCC3 17076000 HTBKHWGNMWSBSR-UHFFFAOYSA-N 370.543 5.331 0 40 FKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2ncccc12 22203005 CIZYGQLGNUZSLL-UHFFFAOYSA-N 374.362 5.295 0 40 FKAB COc1ccc(-c2nc3cc(C)cc(Br)c3o2)cc1Cl 40542329 RQHOAXXOEZGVJR-UHFFFAOYSA-N 352.615 5.228 0 40 FKAB Fc1cccc(Cl)c1COc1ccc(-c2nc3ccccc3[nH]2)cc1 41005179 DOINCULNUUXGKT-UHFFFAOYSA-N 352.796 5.601 0 40 FKAB CCOP(=O)(OCC)C(F)(F)c1ccc(C)cc1Br 42750794 XQJQKMOAICSMME-UHFFFAOYSA-N 357.131 5.073 0 40 FKAB O=C(c1cc2c(F)cccc2s1)N(Cc1ccccc1)c1ccccn1 89832662 VOCPZEMBWFVSNM-UHFFFAOYSA-N 362.429 5.282 0 40 FKAB O=C1[C@H]2[C@@H]3CC[C@@H]([C@@H]2[C@@H]2[C@@H]4C[C@H]([C@@H]5[C@@H]6CC[C@H](C6)[C@@H]54)[C@@H]12)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 100354183 YJUVCBGGFBYMBC-NWMZXFROSA-N 362.557 5.048 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 106013715 NDHOPVCXDQDCPC-KMAVCZJNSA-N 357.497 5.072 0 40 FKAB Cc1ccc(COc2ccccc2CNc2ccc(Cl)c(Cl)c2)cc1 106974742 XOCAZXFMUJJRTB-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl 222841110 VCBYRYVMQPLFSA-LLVKDONJSA-N 372.679 5.039 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12 222865470 IJHZREDPMYJUJK-KRWDZBQOSA-N 355.437 5.077 0 40 FKAB C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc2c(c1)CCCC2 222938657 GDJFGXZMHQUIEP-MRXNPFEDSA-N 369.464 5.956 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c2ccccc12 225803324 LCNBPZGQOYHOFB-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 225820429 SQLGAIXFVDSPJC-UHFFFAOYSA-N 363.844 5.440 0 40 FKAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225840030 DINRTEOZBCACOX-AOMKIAJQSA-N 357.494 5.551 0 40 FKAB Cc1ccc2cc(C(=O)CCC(=O)Nc3cccc(Cl)c3)ccc2c1 408825108 AGEFJOCGBXUJTL-UHFFFAOYSA-N 351.833 5.403 0 40 FKAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)cc1 408996098 OCQZJBIZUFYHNE-BDTNDASRSA-N 355.437 5.164 0 40 FKAB CCOc1ccc(CNc2cc(Cl)ccc2C)cc1Br 409111482 CYTQMWBBAFVKRA-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccco3)n2C)cc1 409204969 MOQWCIHAURGVRD-FCQUAONHSA-N 374.465 5.063 0 40 FKAB CC(C)(C)OC(=O)N1CCCc2ccccc2[C@H]1c1ccnc(Cl)c1 503852590 HJWPTFMPFCRBNZ-GOSISDBHSA-N 358.869 5.008 0 40 FKAB c1cc(C2CCCCC2)ccc1OCOc1ccc(C2CCCCC2)cc1 2362803747 GFSKYCFTWAXYKE-UHFFFAOYSA-N 364.529 7.197 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1 1031050 QSCPGBISISMWAN-GNCHDMCWSA-N 367.492 5.929 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 1097947 AHZNRKZUCZEBJW-UHFFFAOYSA-N 370.279 6.154 0 40 FKAB CC(C)OC(=O)Nc1ccc(-c2ccc(NC(=O)OC(C)C)cc2)cc1 1688148 JCZSQMPAVPDRMC-UHFFFAOYSA-N 356.422 5.267 0 40 FKAB Clc1ccc(C2=N[C@H](c3ccccc3)/C(=C/c3ccccc3)S2)cc1 1859143 CFYZAPUGOWEMDG-WOHXKIKESA-N 361.897 6.616 0 40 FKAB CCCN(CCC)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2737775 MTZAMGAQUFZASH-UHFFFAOYSA-N 355.265 5.219 0 40 FKAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 3119842 SQPRSIYMBVGHID-UHFFFAOYSA-N 371.937 5.725 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)cc1 3442832 VHPVUPVENYXKJT-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB Cc1ccc(/C=C/c2nc(-c3ccccc3)cn3c2nc2ccccc23)cc1 4419814 HDQACQOPJXBJJI-FOCLMDBBSA-N 361.448 6.028 0 40 FKAB CC(C)(C)c1cc(C(C)(C)C)c(OC(=O)[C@H]2CC23CCC3)c(C(C)(C)C)c1 4481536 VVRAXFBEBOXDEW-LJQANCHMSA-N 370.577 6.675 0 40 FKAB O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 4828202 GIHDCHXTKNIOSW-SFHVURJKSA-N 362.410 5.046 0 40 FKAB COc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1 4970133 IPHOMJIMCMEZAD-UHFFFAOYSA-N 351.409 5.249 0 40 FKAB Clc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c(Cl)c1 5006128 JSJWOQBOJNJOJA-OAQYLSRUSA-N 367.279 6.349 0 40 FKAB Cc1cccc2c(C(=O)O)cc(-c3ccc(-c4ccccc4Cl)o3)nc12 5237260 ZKASNBORJDANFW-UHFFFAOYSA-N 363.800 5.822 0 40 FKAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 5256074 BIMZGLAJWKOSHD-FQEVSTJZSA-N 365.864 5.087 0 40 FKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3ccccc3F)c2n1 5732796 KOCLNCPDPXTCOY-UHFFFAOYSA-N 364.203 5.251 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(OC)c2ccccc12 5973206 DBWFGYRRXMOPNZ-JOCHJYFZSA-N 357.538 5.564 0 40 FKAB Cc1nc(SCC(=O)c2cc(Cl)ccc2Cl)c2ccccc2n1 6550438 FLAZZQIUUDVKGK-UHFFFAOYSA-N 363.269 5.220 0 40 FKAB COCCc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 7983798 VJNXSUBOHADOMP-UHFFFAOYSA-N 362.454 5.340 0 40 FKAB Clc1ccc(/N=c2/scc(-c3ccccc3)n2-c2ccccc2)nc1 13549447 PFDWTGZOBIZZLP-BSYVCWPDSA-N 363.873 5.487 0 40 FKAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2Nc2ccccc2)cc1 13739436 SJXYKDOQWPMIBK-GHVJWSGMSA-N 373.481 5.333 0 40 FKAB CCCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2cccnc12 15841049 ZGAZUNHUKPDBOR-UHFFFAOYSA-N 364.489 5.179 0 40 FKAB Clc1ccc(COc2cccc(CNC3CCCCC3)c2)c(Cl)c1 16399596 GMCGGQDBXFHIAX-UHFFFAOYSA-N 364.316 5.995 0 40 FKAB S=C(NCc1ccco1)Nc1cc(Cl)ccc1Oc1ccccc1 17074042 OANCQLRFQHTODT-UHFFFAOYSA-N 358.850 5.212 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cc2cc(Br)ccc2o1 28250185 CBJGZTOSAIVDKP-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB O=C(c1cc(Cl)ccc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 32096375 VCIFTOUXKNNAHR-UHFFFAOYSA-N 359.256 5.280 0 40 FKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1 38183529 XCOFEAMWFGBQGC-CXUHLZMHSA-N 354.818 5.062 0 40 FKAB COc1ccc2ccccc2c1/C=C1\COC(c2ccc(C(C)(C)C)cc2)=N1 59503062 DHRCTDXBDIBQHM-HMMYKYKNSA-N 371.480 5.964 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=C[C@@H]2O 71789076 YWHIUZLVKVDQAM-RYWAYVEBSA-N 360.497 5.259 0 40 FKAB CC(C)C[C@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918408 USTAGMANLYZOHZ-CYBMUJFWSA-N 359.379 5.463 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223019344 LGQIHNFOGXPICP-FQEVSTJZSA-N 359.897 5.787 0 40 FKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 223127152 TYPMFEHMPHQIRH-XMMPIXPASA-N 373.496 5.365 0 40 FKAB CC(C)Oc1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225332915 JDNRGTLBOKTBLC-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225844286 YSAVUTSFBJSIPP-HXOBKFHXSA-N 371.521 5.941 0 40 FKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408562599 QTQMLRBVOZHMND-LNVKXUELSA-N 368.477 5.042 0 40 FKAB Cc1ccc(SCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408630222 PQEOJRUUHANMIH-UHFFFAOYSA-N 361.466 5.417 0 40 FKAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(CC)cc2)cc1 408733362 HKJPZJSYIWHZOA-QHCPKHFHSA-N 356.469 5.583 0 40 FKAB Cc1cc2c(cc1-c1ccnc(Nc3ccccc3)n1)NC(C)(C)C[C@@H]2C 575473090 GQOHOOVCAXXTGH-INIZCTEOSA-N 358.489 5.893 0 40 FKAB Cc1ccc([C@@H]2CC(Br)=NO2)cc1Oc1ccc(Cl)cc1 2362804351 OBLJAFGZXSWEBJ-HNNXBMFYSA-N 366.642 5.611 0 40 FKAB Cc1ccc(NC2=C[C@@H](c3cccs3)N(c3ccc(C)cc3)C2=O)cc1 1426242 UOMIUNLTGKQGQB-FQEVSTJZSA-N 360.482 5.449 0 40 FKAB O=C(OCCN1CCCCCCCC1)C(c1ccccc1)c1ccccc1 1562287 MQZCWGWAVOPFIH-UHFFFAOYSA-N 365.517 5.018 0 40 FKAB O=C(Oc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1 1796837 HELPTTZYXKFTDW-UHFFFAOYSA-N 357.434 5.696 0 40 FKAB CCCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(OCCC)c1 2616171 VCTBBPJDIFMAFV-WOJGMQOQSA-N 371.864 5.410 0 40 FKAB COc1ccc(C)cc1NC(=O)c1oc2ccc(Br)cc2c1C 2653923 GUYZMAKYQOEIIV-UHFFFAOYSA-N 374.234 5.073 0 40 FKAB Cc1cccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)c1 2752463 ZAXKOWMMJUGBOZ-UHFFFAOYSA-N 358.485 5.663 0 40 FKAB CCCCOC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3215489 YETINGRYHXCGMQ-UHFFFAOYSA-N 366.567 5.564 0 40 FKAB COc1cc(Cl)c(C)cc1NCC(=O)Nc1ccc(Cl)cc1Cl 3357642 IWUJQQFFJRHDMQ-UHFFFAOYSA-N 373.667 5.014 0 40 FKAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 3360868 YOLHICRTPYQVRP-MDZDMXLPSA-N 366.511 5.402 0 40 FKAB CCCCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4023805 ULKPKSITLDMDMJ-OUUKCGNVSA-N 365.558 5.325 0 40 FKAB Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc1 4184510 RSFNNCWJYBJORC-OAQYLSRUSA-N 367.876 6.837 0 40 FKAB Cc1ccc(C)c(-c2nc(Nc3ccccc3C)sc2CC(=O)O)c1 5023175 NPQQNLGXYSIFOQ-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 5610842 VFYHPDXBXFOLIC-UHFFFAOYSA-N 360.240 6.068 0 40 FKAB Cc1sc2ncnc(SCc3csc(-c4ccccc4)n3)c2c1C 5860711 FPJIHBXHJRXHJO-UHFFFAOYSA-N 369.540 5.724 0 40 FKAB Cc1ccc(CSc2nc3ccc(NC(=O)CC(C)C)cc3s2)cc1 8673848 DKUZNJHVQHLAGD-UHFFFAOYSA-N 370.543 5.882 0 40 FKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1 12462005 RTVSJYYLHWAWRD-IZHYLOQSSA-N 370.521 6.000 0 40 FKAB CCc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19359760 IBHIGHXMWAXHKA-UHFFFAOYSA-N 370.540 5.156 0 40 FKAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 27015390 SNUAPXMXKHBASE-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc(Cl)cc1 27015733 QMRNYIHUESOYSF-UHFFFAOYSA-N 365.795 5.046 0 40 FKAB C[C@@H](c1cccs1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 32842054 JWPUOSQKHRGEMX-NSHDSACASA-N 362.907 5.358 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 44841683 CXECBKACVNKUMO-QGZVFWFLSA-N 368.329 5.494 0 40 FKAB CN(C)c1ccc(CSc2nc(C(F)(F)F)nc3ccccc23)cc1 58063301 IRTCKHKGRKSXRO-UHFFFAOYSA-N 363.408 5.007 0 40 FKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1c(F)cccc1F 71959721 JBBZJXSPLNNXTD-SNVBAGLBSA-N 357.385 5.349 0 40 FKAB O=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl 105372479 CGUASMJNIPXHJW-STEAMIEHSA-N 360.284 5.364 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222996151 CLPSOAZZMLOGCG-GAJHUEQPSA-N 365.517 5.163 0 40 FKAB Cc1ccc(Cl)cc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225077404 RLBMPWGVDUPNGV-NRFANRHFSA-N 366.844 5.390 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3ccc(CC)cc3)CCCC2)cc1 225850299 IKHRECVVGMIFRC-UHFFFAOYSA-N 368.546 5.404 0 40 FKAB COc1ccc(/C=C(/C(=O)NC2CCCCCCC2)c2ccccc2)cc1 408573926 FPFSDVMVZYFHQQ-PTGBLXJZSA-N 363.501 5.465 0 40 FKAB Cc1ccc2nc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)sc2c1 652144 ASRMXAZUQOQVNC-OAHLLOKOSA-N 352.503 5.545 0 40 FKAB COc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3)c3ccccc32)cc1 855419 MDMIPIFZJMCCRT-VGSWGCGISA-N 372.468 5.287 0 40 FKAB Cc1ccc([C@@H]2CC(=O)n3nc(-c4cccc5ccccc45)nc3S2)cc1 957028 BYDJRKBNPHZZOA-IBGZPJMESA-N 371.465 5.284 0 40 FKAB CCCCCC(=O)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1600480 QGBNCNBFGABEOI-UHFFFAOYSA-N 351.273 6.206 0 40 FKAB C[C@H](N)c1ccc(OCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 1761791 CHNBJPJHVBOEGA-SFHVURJKSA-N 369.549 5.878 0 40 FKAB CSc1nc(SCCC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2221228 RJMZSJQWQRKCCB-UHFFFAOYSA-N 368.593 5.403 0 40 FKAB CC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccccc1 4043162 HMULUHVFBQLXOY-XMMPIXPASA-N 367.533 5.652 0 40 FKAB biogenic c1ccc(-c2[nH]c3ccccc3c2[C@H](c2ccccn2)N2CCCC2)cc1 4139995 ARLOHHNBCXKXDE-DEOSSOPVSA-N 353.469 5.415 0 40 FKAB CC(C)c1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 4325801 GBRGDHFEIALQPX-UHFFFAOYSA-N 371.314 6.040 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 5378994 IKCCWFJYHDLNHE-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB Cc1ccc2c(c1)c1nnc(SC(C)C)nc1n2CCc1ccccc1 5477920 RUAVYUZZEDXBFF-UHFFFAOYSA-N 362.502 5.031 0 40 FKAB COc1ccc(-c2cc(C)nc(SC(=O)c3ccc(Cl)cc3)n2)cc1 5725055 LMBQVMUALGAITO-UHFFFAOYSA-N 370.861 5.047 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)s2)N3)C1 6202948 DCUPQXRIUAKNOU-SJKOYZFVSA-N 374.575 6.088 0 40 FKAB CCOc1ccc(-c2c(-c3ccccn3)c(C)nn2-c2ccccc2)c(O)c1 6788115 FHJGQMHZIFILFT-UHFFFAOYSA-N 371.440 5.014 0 40 FKAB CCc1cc2cc(C(=O)Nc3cccc(Cl)c3Cl)sc2s1 6791622 KWKIBWGQOUFVIC-UHFFFAOYSA-N 356.299 6.084 0 40 FKAB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@H](c2ccccc2)C1 9419735 SLFVTTDKPKXLQP-SFHVURJKSA-N 353.878 5.791 0 40 FKAB CC(C)(C)[C@@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3F)c2C1 12970688 XNEMFXUKRFKHID-CQSZACIVSA-N 367.895 6.845 0 40 FKAB Cc1cc(C)nc(Nc2nnc(Nc3cc(C)cc(C)n3)c3ccccc23)c1 13212991 FOPFXYUYVALNLQ-UHFFFAOYSA-N 370.460 5.141 0 40 FKAB Cc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)n(-c2ccccc2)n1 13701161 RUUFZZQGURKRQI-UHFFFAOYSA-N 367.452 5.024 0 40 FKAB CC(C)C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccccc1 20048792 PQXWLGKXVWWCGN-IBGZPJMESA-N 361.938 5.477 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 20107943 ACVSQEWOGICRFL-FQEVSTJZSA-N 365.404 5.414 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 20238132 JXTCZJRJDXBJRD-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3ccc(Cl)s3)cs2)c1)C1CC1 25317950 OJULLFQSLHEGBG-UHFFFAOYSA-N 360.891 5.541 0 40 FKAB Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3ccco3)c(C)c2cc1C 28231941 LHVGYBWFVIDEEE-UHFFFAOYSA-N 363.413 5.387 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(Cl)c2C)o1 28238262 UQANETZCHJKVIY-UHFFFAOYSA-N 371.820 5.081 0 40 FKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@H]1CC=CCC1 31182549 VCLGRKVFEOOTDM-NSHDSACASA-N 352.381 5.124 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl 33655319 XLJKPCXQVFHDSX-UHFFFAOYSA-N 363.288 5.544 0 40 FKAB CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 44841678 CXECBKACVNKUMO-KRWDZBQOSA-N 368.329 5.494 0 40 FKAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccccc3F)o2)o1 48303731 MWKWMPFFRKKRTF-CJNGLKHVSA-N 353.393 5.074 0 40 FKAB Cc1ccc(N(C)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)cc1 60352100 REZHUGFHEPDMAB-UHFFFAOYSA-N 362.907 5.418 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)Nc3c(Cl)cccc3Cl)ccc2c1 68755549 WXMDASIKKHLKNZ-LBPRGKRZSA-N 374.267 5.897 0 40 FKAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71326209 RHYWNQLZALGHFH-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB O=C(O)c1cccc(Nc2ccnc3c(Oc4ccccc4)cccc23)c1 78401569 USLMBRMJRRWAKD-UHFFFAOYSA-N 356.381 5.469 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 80340405 OYVBVOJZYBRDJC-UHFFFAOYSA-N 372.424 5.534 0 40 FKAB Cc1ccc(/N=c2/ssc3c2-c2cc(Cl)ccc2NC3(C)C)cc1 102436151 ITTUCSWAJNCPTE-DYTRJAOYSA-N 372.946 6.331 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(F)cc1 222929545 AZEJKEUGUYFYPB-OAQYLSRUSA-N 371.496 5.030 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C 223452990 HEFMKPQXDHNLGQ-HXUWFJFHSA-N 373.496 5.682 0 40 FKAB Cc1cc(C)cc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1 224075911 KOVVLSXPJYHYHU-UHFFFAOYSA-N 359.425 5.012 0 40 FKAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc2c(c1)oc1ccccc12 224174273 MCCGFNXGXZJQKR-UHFFFAOYSA-N 371.845 5.181 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)c1 225358911 PBAVANQOMJWUSY-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB CCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)(C)CCC(C)(C)C 584906266 SEDZTVCJMAWWAG-UHFFFAOYSA-N 369.571 5.092 0 40 FKAB CCc1ccc([C@@H]2CCCCCN2Cc2cc3ccccc3c(O)n2)o1 1775996480 JMPYYEGCBGNGNR-FQEVSTJZSA-N 350.462 5.213 0 40 FKAB CCOc1ccc(Br)cc1CNc1ccc(C)c(Cl)c1 982584 GGGDOKXVEYNOPB-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB CN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1352393 SWKRIDCXZZWPFR-UHFFFAOYSA-N 363.269 5.394 0 40 FKAB COc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(F)ccc3o2)cc1 1813129 YRUJJBZUPNVZMZ-QQTULTPQSA-N 360.388 5.175 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c(Cl)cccc1Cl 3444512 FHDTXEHBGLBCCQ-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB Cc1cc(Br)ccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4666425 DMCXSFYKUIRICU-OAHLLOKOSA-N 374.322 5.698 0 40 FKAB CCCCSc1nc2sc3c(c2c(=O)n1CCCC)CCCCC3 4815336 NPFPOQZWKNQPII-UHFFFAOYSA-N 364.580 5.419 0 40 FKAB c1ccc([C@@H]2C[C@H](c3ccccc3)n3c4c(c5ccccc53)CCC[C@@H]42)cc1 4859654 FHODAKNLNSDHSR-RMTZWNOUSA-N 363.504 6.838 0 40 FKAB Cc1ccc(O)c(C(=O)CCCCCCC(=O)c2cc(C)ccc2O)c1 5927217 UNEZBZKQBJTMEA-UHFFFAOYSA-N 354.446 5.121 0 40 FKAB C(=C1\CCCC[C@H]2C1=NN(c1ccccc1)[C@@H]2c1ccco1)\c1ccco1 5947333 DBTDHOIKTFMTBK-GBOSEJQFSA-N 358.441 6.064 0 40 FKAB Cc1ccc(-c2csc(NC(=O)COc3c(C)cc(C)cc3C)n2)cc1 6341728 QHORKZSGTUXHHL-UHFFFAOYSA-N 366.486 5.061 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1ccccc1Br 6960723 ZKBHEXVWHFUKOH-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 9355704 HZJQZHVRJFKKOY-NRFANRHFSA-N 371.415 5.176 0 40 FKAB CCOc1cc(CNC2CCCCC2)c(Cl)cc1OCc1ccccc1 13915599 UDALXFUIMCYNGK-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB Cc1ccc(C)c(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1 17026411 JSKYOJYJUPTRRG-UHFFFAOYSA-N 361.470 5.240 0 40 FKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1C 21797947 DAKOTXJCJCCARG-UHFFFAOYSA-N 356.473 5.608 0 40 FKAB C[C@@H](NC(=O)c1occc1COc1ccccc1)c1cccc2ccccc12 22277980 SHDCIXNKVSKMPH-QGZVFWFLSA-N 371.436 5.503 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 30872520 HNMFQSWIKDDVPD-FDDCHVKYSA-N 361.485 5.491 0 40 FKAB CCC(C)(C)NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1 32963821 ATKWOMGTASPDPT-UHFFFAOYSA-N 363.473 5.092 0 40 FKAB CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215447 SFOYRWJIGJJCLR-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CC(=O)c1cccc(NC(=O)N(Cc2ccccc2)C2CCCCC2)c1 72274845 DTDZSLRXVBMVOI-UHFFFAOYSA-N 350.462 5.256 0 40 FKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(F)cc2)S1 85411805 SVHNTXRHTRTCFZ-KRWDZBQOSA-N 359.470 5.097 0 40 FKAB O=C(N1CCC(Cc2ccccc2)CC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102952086 PLQIJBUTCGFJPD-FDIHYXAFSA-N 371.952 5.046 0 40 FKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914678 PDFYDMTVIFSSKW-CVSNRTSLSA-N 372.593 6.401 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 218964221 RRLFQTRLVZENKS-UHFFFAOYSA-N 373.496 5.220 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222958962 CLVPSNGDPDOPDX-MSOLQXFVSA-N 373.496 5.363 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C 223392747 XSQAQPQAQWDBAV-CQSZACIVSA-N 366.288 5.175 0 40 FKAB CCCC[C@H](CC)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362644 PXUSLQRNSLEIQQ-JTQLQIEISA-N 367.205 5.747 0 40 FKAB O=C(O)c1cc(-c2ccccc2)nc2c(Cl)ccc(Br)c12 1857793892 QRMOCBSRWOEIRM-UHFFFAOYSA-N 362.610 5.016 0 40 FKAB Cc1cccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)c1 659573 FPORWBMQVDWFSG-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 984745 LASKWMUSQSNFHU-VGOFRKELSA-N 359.519 6.376 0 40 FKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)SCC(O)=N2 1019512 LSOKRXNZXSYUGG-SFHVURJKSA-N 369.877 5.258 0 40 FKAB CCN(CC)Cc1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1665701 PAKFQTNZLCWULY-XMMPIXPASA-N 372.512 5.565 0 40 FKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1C)CO3 2113033 ZIZKCOHKSMVWOS-UHFFFAOYSA-N 363.457 5.027 0 40 FKAB biogenic CC(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2333634 NOEJILGIWZGLLC-UHFFFAOYSA-N 358.489 5.600 0 40 FKAB Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 4072103 JCXRQHZILQWKCL-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 4666334 BWLFBRYGERAGNY-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB Cc1cccc(OP(=O)(Nc2ccccn2)Oc2cccc(C)c2)c1 6131997 PLDRUVKGWUOQFF-UHFFFAOYSA-N 354.346 5.376 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSCc1c(F)cccc1Cl 6200607 NIXJGKGSAFOWAS-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 6215914 KKNBDEQNQKKFOS-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1 6264753 FFUGAMOTAIBCMP-UHFFFAOYSA-N 364.493 5.056 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=S)Nc2ccc(Cl)c(Cl)c2)C1 6754905 KFGHSKGKPPWWMO-SJCJKPOMSA-N 357.350 5.591 0 40 FKAB Cc1cccc(Cn2cc(/C=C3/SC(=S)N=C3O)c3ccccc32)c1 6967323 XUORJLBLACBGOS-VCHYOVAHSA-N 364.495 5.327 0 40 FKAB CCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 7262319 SKWPWWWLJIXMKD-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB CCN1C(=O)c2cc(NC(=O)c3cccc(C)c3)ccc2Oc2ccccc21 9134718 UUJAMTORBFOXBZ-UHFFFAOYSA-N 372.424 5.020 0 40 FKAB COc1ccc(CNCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 10475399 ZPYVHOUHHRNGKP-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc(C)c1Cl 14399052 SIANHUOTSLMYKQ-NSHDSACASA-N 372.679 5.670 0 40 FKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cc2C)cc1OCC 16317301 ZHNXMMHWOZPDJA-MRXNPFEDSA-N 372.534 5.148 0 40 FKAB Clc1ccccc1CNCc1ccccc1OCc1ccccc1Cl 16449781 QJPOWMJYLCAHCC-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(C)cc1 20458168 XTCHFUBOADREDX-HSZRJFAPSA-N 361.485 5.055 0 40 FKAB c1csc(COc2ccc(CNC3C4CC5CC(C4)CC3C5)cc2)c1 22073923 VYMWZAWFMYHOEB-UHFFFAOYSA-N 353.531 5.241 0 40 FKAB Cc1csc2nc(COc3cccc4ccccc34)c(Br)n12 26771334 JSGPFTOWGYTFLN-UHFFFAOYSA-N 373.275 5.199 0 40 FKAB C[C@H]1CCCN(c2nc(-c3ccccc3)nc3oc(-c4ccccc4)nc23)C1 28287697 MMYUHZGOYCWWST-INIZCTEOSA-N 370.456 5.188 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 30859445 RYUPMYMXABVYQW-BJKOFHAPSA-N 373.496 5.367 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]2CCCC[C@@H]21 39538999 LWVLKIGDNMJMIH-YJBOKZPZSA-N 372.896 5.109 0 40 FKAB CC(C)(C)c1ccc(-c2nc(C#N)c(Sc3ccc(Cl)cc3)o2)cc1 39989360 MVAIMDVLGVXEKH-UHFFFAOYSA-N 368.889 6.315 0 40 FKAB CCc1cccc(C)c1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 59294054 NRESGGNMMBAABH-UHFFFAOYSA-N 353.506 5.651 0 40 FKAB BrC(Cc1ccccc1)(Cc1ccccc1)c1ccccc1 68563899 YKHLXWRASLDFOZ-UHFFFAOYSA-N 351.287 5.762 0 40 FKAB biogenic Fc1ccccc1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21 101244134 QJMDBIHRUWWYAL-QFIPXVFZSA-N 368.415 5.140 0 40 FKAB Cn1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 210198845 IMIFKYCOLLYURH-RQZCQDPDSA-N 368.845 5.073 0 40 FKAB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223022113 VHAULQBTWKVWND-QFIPXVFZSA-N 367.558 5.624 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 223451128 PFZJBMDNNHUQLG-QGZVFWFLSA-N 359.897 5.138 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C 223464048 JVRLLAHIPKPWCZ-RTBURBONSA-N 353.506 5.380 0 40 FKAB CC[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc(OC)c(C)c1 224986836 OTRXBBYLANMOES-JOCHJYFZSA-N 361.485 5.357 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 224990782 HOTCPWZUOZPRKJ-UHFFFAOYSA-N 373.880 5.458 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 257204750 AWEFYHKUISEXOD-OAQYLSRUSA-N 356.469 5.077 0 40 FKAB Cc1c2c3ccccc3nc-2c2c(n1Nc1ccccc1)CC(C)(C)CC2=O 334158918 HEYLRSADIFHCTO-UHFFFAOYSA-N 369.468 5.480 0 40 FKAB biogenic COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3C)cc2)cc1 408588612 XJITUTCKLPIKTG-UHFFFAOYSA-N 364.470 5.605 0 40 FKAB COc1ccc2c(c1)Cc1sc(=Nc3ccc(Cl)cc3Cl)[nH]c1-2 408884328 YHTHXJZCEYROEJ-UHFFFAOYSA-N 363.269 5.195 0 40 FKAB CC(C)CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409111477 CKFCOQWSVWXYQF-GKUMMSIHSA-N 374.528 5.369 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c1C 409112985 MWIAVYSRECIIAW-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccccc2Cl)c1 409114422 HNDVVZUZLFRKOU-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)c1 409179608 RYPLSESZVHQSHF-UHFFFAOYSA-N 373.452 5.047 0 40 FKAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 632708 FVJLYRYZAUCFDE-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 865365 ZUOZMHLVNDFTTD-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB O=C(COc1ccc2ccccc2c1)Oc1ccc(Oc2ccccc2)cc1 1473229 VSIIBONSRFQCDM-UHFFFAOYSA-N 370.404 5.617 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(Cl)c1 1516563 HNEOVSVWMJBGDS-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Clc1ccc2nc(-c3ccc(Br)cc3)nc(Cl)c2c1 2527437 MXQLGPWPECQJDN-UHFFFAOYSA-N 354.034 5.366 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)cc(Cl)n1 2559271 MXORHTVTLMQVCT-UHFFFAOYSA-N 350.127 5.051 0 40 FKAB CCc1ccc(-c2ccc3c4ccccc4c(C(=O)C(F)(F)F)c-3o2)cc1 2578034 KQKAVWPRAYQNSN-UHFFFAOYSA-N 368.354 6.512 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 2713918 RQCPKVOFCTWFOF-UHFFFAOYSA-N 365.241 5.058 0 40 FKAB COc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 3069495 PQWIHBDYHKQRGG-UHFFFAOYSA-N 358.393 5.048 0 40 FKAB CC[C@@H](C)NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3178172 KCTCJMNSLAPMOR-MRXNPFEDSA-N 355.443 6.397 0 40 FKAB O=C(Nc1nc2ccccc2s1)c1sc2cc(F)ccc2c1Cl 3208415 VYMMXXVGJAKJSI-UHFFFAOYSA-N 362.838 5.556 0 40 FKAB CCn1c2ccccc2c2cc(NC(=S)NC3CCCCC3)ccc21 3231674 CLXDHTFPPCBURM-UHFFFAOYSA-N 351.519 5.434 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)N[C@H]1CCCc2ccccc21 3297585 ZYWYEILSXNILBV-NRFANRHFSA-N 355.437 5.322 0 40 FKAB aggregator C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(c5ccccc5)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849758 DVFACKFNDPANLI-YDHFMQRRSA-N 350.546 6.084 0 40 FKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2ccccc2)cc1 4059165 YKURYEKAXCXTDA-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB C[C@@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 4076439 FMUWOACGAQYCFW-SECBINFHSA-N 362.907 5.388 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(C)c2)cc1C 4520012 YUBYHDQMONFPJK-UHFFFAOYSA-N 364.470 5.178 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(C)c1 4577590 VUZGURMZSLTKEG-QFIPXVFZSA-N 355.481 5.557 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(Cl)ccc1Cl 4661894 BQRUXPKPNSIOGL-UHFFFAOYSA-N 354.236 5.817 0 40 FKAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c(C)c1 4747730 CIJDUEUKZKAVLZ-UHFFFAOYSA-N 362.473 5.126 0 40 FKAB Cc1ccc(C)c(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1 4906977 GRDOLQBBAIMHPA-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Brc1ccc(Sc2ncnc3sc4c(c23)CCC4)cc1 5517496 WICOGNFYYAIMRT-UHFFFAOYSA-N 363.305 5.094 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 6938373 XTEYYXVOPLUGQG-GOSISDBHSA-N 366.505 5.208 0 40 FKAB Cc1occc1-c1nnc(SCc2ccccc2Oc2ccccc2)o1 7193731 AJNFLGOULGMNSE-UHFFFAOYSA-N 364.426 5.723 0 40 FKAB O=C(/C=C/c1cccs1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 8074783 YVSDCRPMLYBLDF-DRUFCSCSSA-N 372.493 5.191 0 40 FKAB O=C(O)c1ccc(CNc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1 8702187 NXDYZBVSJBZENB-UHFFFAOYSA-N 351.446 5.058 0 40 FKAB Cc1ccccc1CN1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 9062951 UPBJADNLWHEZKI-UHFFFAOYSA-N 364.533 5.278 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 9064445 JKEXPGMSEBTSCG-CYBMUJFWSA-N 363.288 5.625 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccccc1Cl 12906551 VKJHBMOJQCOLCU-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB CCOc1cccc2c1O[C@H](CC(C)C)N1N=C(c3ccc(C)cc3)C[C@@H]21 13759171 HTHDHZCXTBKIRS-RBBKRZOGSA-N 364.489 5.309 0 40 FKAB CC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)cc1)c1ccccc1S2 16291943 DRSVLBOUSUUMST-UHFFFAOYSA-N 359.450 5.641 0 40 FKAB CCN(C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cccc(C)c1 16740441 ZCAUWAFKKKQNGN-UHFFFAOYSA-N 367.452 5.272 0 40 FKAB Cc1c(CN[C@@H](Cc2ccsc2)c2nccs2)[nH]c2ccccc12 19565960 ICQQMDYYTZTEKE-KRWDZBQOSA-N 353.516 5.068 0 40 FKAB Cc1cccc(COC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c1 28577924 GVHNBKNKQFJPEO-UHFFFAOYSA-N 370.832 5.486 0 40 FKAB CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1 35556164 FHSAQAQSIRUJPP-SFHVURJKSA-N 367.813 6.025 0 40 FKAB Cc1ncsc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 43269438 BUOHRSYIAYKOGQ-UHFFFAOYSA-N 370.286 5.134 0 40 FKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 59472357 CGEZIPUNGUSQSW-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1C 67190079 ADSQVIURYKVOOK-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB O=C(Nc1nc(S)oc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 72238664 BZSYNJRVAKSPQD-UHFFFAOYSA-N 365.241 5.189 0 40 FKAB CSc1ccc(Cl)c(C(=O)N[C@@H](c2ccccn2)C2CCCC2)c1 72303689 STWVXGXQNMVRAC-GOSISDBHSA-N 360.910 5.118 0 40 FKAB CN(C(=O)Nc1ccccc1-n1cccn1)C1CCC(c2ccccc2)CC1 89334761 VDTQQUXMGGNYOF-UHFFFAOYSA-N 374.488 5.062 0 40 FKAB CCOc1cc(CO)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1 95095064 JVWNIOYWHCMZPY-UHFFFAOYSA-N 361.652 5.117 0 40 FKAB Cc1cc(NCc2ccc(Oc3cccnc3)c(F)c2)nc2ccccc12 95376498 NATSFHLHNKPGNA-UHFFFAOYSA-N 359.404 5.482 0 40 FKAB Cc1ccccc1[C@@H]1Sc2ccccc2N=C2C1=C(O)c1ccccc12 101424603 XZFNACJWLRJDJX-QHCPKHFHSA-N 355.462 6.246 0 40 FKAB OC1=C[C@@]2(CCC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cccs3)=NN12 103857854 WBVGZBKSFSZWGU-QFBILLFUSA-N 372.877 5.267 0 40 FKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)n1 170580250 WSLJGNMNOKKLQE-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB Cc1ccc(N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc1 219863847 LUABVMKYVRIEIC-HSZRJFAPSA-N 364.533 5.115 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223438815 LWVRXQDCFJWBCW-UXHICEINSA-N 369.505 5.045 0 40 FKAB CCC[n+]1cc(Br)cc(-c2nc3c(Cl)cccc3s2)c1 226776867 SHRJVDQEPXAFPG-UHFFFAOYSA-N 368.707 5.077 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)c(C)c1 409118696 TWLHEQZNZPISNL-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Clc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1 1386016 NJWQKDTYUIGFEY-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB CCn1c(-c2c(Cl)cc(O)cc2Cl)cc2c(Cl)cc(O)cc21 1587442 ZATDYQOGSPTLBG-UHFFFAOYSA-N 356.636 5.700 0 40 FKAB CCCCc1c(C)c2ccc(OCC(=O)c3ccc(C)cc3)cc2oc1=O 2126451 BLGPBQNQROBTCA-UHFFFAOYSA-N 364.441 5.014 0 40 FKAB biogenic CCCCCOc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1 3049694 WELKHCDYUWPSLS-UHFFFAOYSA-N 359.469 5.760 0 40 FKAB Clc1ccc2oc(SCc3cccc(Oc4ccccc4)c3)nc2c1 3327171 QGTNPKNDRNNQBH-UHFFFAOYSA-N 367.857 6.566 0 40 FKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 3343154 GWSGTZKTDCVJTJ-MHWRWJLKSA-N 356.208 5.746 0 40 FKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1c(F)cccc1Cl 4678542 UZSIWTFZQIMIIK-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB Cc1cccc2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12 4704443 UEWGKDLGTWTYBU-UHFFFAOYSA-N 360.866 5.054 0 40 FKAB CC[C@@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 5083838 QZOCTJXBURESGE-GOSISDBHSA-N 361.470 5.195 0 40 FKAB Clc1cccc(Cl)c1CSc1cc2c(nn1)-c1ccccc1CC2 5875151 URVZOFCBPIYNEI-UHFFFAOYSA-N 373.308 5.841 0 40 FKAB aggregator O=C(NCc1ccccc1Cl)c1ccc(C2SCCCS2)cc1 7135035 IXBQDPJWTLKPBL-UHFFFAOYSA-N 363.935 5.139 0 40 FKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062954 HOSWFYSFHZHZAH-UHFFFAOYSA-N 364.533 5.188 0 40 FKAB CCCn1cc(SCC(=O)Nc2cccc(Cl)c2)c2ccccc21 9277117 ZOFXMCFRPPOBJR-UHFFFAOYSA-N 358.894 5.436 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 9373038 ATVUDVBVJCEFIY-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB Cc1cc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c(C)n1C1CC1 10715258 ADEAMAMMBNZQRB-UHFFFAOYSA-N 370.449 5.209 0 40 FKAB O=C(c1csc2c1CCCC2)N1CC=C(c2c[nH]c3ccccc23)CC1 11075850 HQSDRFDZTXJFKZ-UHFFFAOYSA-N 362.498 5.038 0 40 FKAB C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)\c1ccc2ccccc2n1 12554549 MQOJEYQLNXUVIN-ACCUITESSA-N 374.447 5.653 0 40 FKAB Cc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3C)oc2cc1C 12856761 DVCYJLQRQZRPBI-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 17963560 IFMQQPGWCXUQKK-KRWDZBQOSA-N 367.452 5.096 0 40 FKAB Cc1nc([C@@H](Cc2ccsc2)NCc2cccc(F)c2F)sc1C 19559913 KGGOXOULTCPMQU-MRXNPFEDSA-N 364.486 5.173 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2SCc2ccsc2)c(F)c1 24351721 NWFGOLVRTOPHKV-UHFFFAOYSA-N 373.474 5.440 0 40 FKAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 24759253 AFLJTQAPVBLPNA-GFCCVEGCSA-N 372.494 5.394 0 40 FKAB COc1ccc(CSc2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1 32611986 LUEKPSRPMGFARP-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCOC(=O)c1cccc(Nc2c(-c3ccccc3)nc3ccc(C)cn23)c1 35616397 PQIXBNRYMSICKM-UHFFFAOYSA-N 371.440 5.230 0 40 FKAB CC[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(OC)cc1 44946475 OHDKAZFODUBKKH-CIPTZOQDSA-N 361.441 5.096 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 47368019 YFLPHACLZDFXST-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CCC(CC)N(C(=O)Cc1csc(-c2ccccc2Cl)n1)C1CC1 58306834 HSYGTGREADAJCU-UHFFFAOYSA-N 362.926 5.186 0 40 FKAB Cc1cc(Nc2ccccc2C(=O)O)c2cc(Oc3ccccc3)ccc2n1 78401725 DHSPPHAKZVTEJG-UHFFFAOYSA-N 370.408 5.777 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 100403448 FIWPMZXDLSBTPB-YFVAEKQCSA-N 351.515 5.206 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 100432206 FRVBOPHMSZREMI-INIZCTEOSA-N 371.786 5.463 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@H](c2ccccc2)C1 100433670 ICBYPXXEXQENKC-HJPURHCSSA-N 372.493 6.377 0 40 FKAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccccc1Br 101805967 FJPCTPGWKAHMJW-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc2ccccc2c1 222790039 CXMIGDOIAAUZJZ-UHFFFAOYSA-N 365.476 5.678 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1Cl 222946676 DTWLHTHHRYPSIS-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc3ccccc3nc2s1 223129830 OTTKMQNOGVGAFJ-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223959628 NDNJUPJILPDHQH-UXHICEINSA-N 369.505 5.045 0 40 FKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 224852506 WSGAALKKDUEEBP-UHFFFAOYSA-N 364.445 5.045 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225543469 ZZLVIBIIAWWJSW-UHFFFAOYSA-N 365.517 5.851 0 40 FKAB O=C(c1ccc(-c2ccsc2)cc1)N(CCc1cccs1)C1CC1 225617731 YUGTVDMYYRUCTD-UHFFFAOYSA-N 353.512 5.324 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)c2ccccc12 225806941 UJOHLJQXGGCHIF-KRWDZBQOSA-N 369.505 5.695 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c2ccccc12 225830954 UYCHDRRBYNIOAB-UHFFFAOYSA-N 369.505 5.697 0 40 FKAB Clc1cc(Br)c2[nH]c(-c3cccc4ccccc34)nc2c1 226342935 ONSFWGPIWSKJOT-UHFFFAOYSA-N 357.638 5.799 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)cc1 257202373 ALMCWMALWXXSBH-LJQANCHMSA-N 367.445 5.124 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccccc1-c1ccccc1)CCCC2 408923555 FZBIFFMWPLNZIZ-UHFFFAOYSA-N 357.453 5.493 0 40 FKAB Cc1ccccc1NCc1ccccc1OCc1cccc2ccccc12 409115254 HYUVGUKDCOTTBR-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB COCc1ccc(N[C@@H](C)c2cc(F)ccc2Oc2cccc(F)c2)cc1 1776003770 AIISWGPCDQPTQB-HNNXBMFYSA-N 369.411 6.077 0 40 FKAB CC(C)c1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 1776004281 IZJCKNLDIHAJOY-IBGZPJMESA-N 366.461 5.298 0 40 FKAB OC(CCCc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2405931 FIHGWIZBIUKYQQ-UHFFFAOYSA-N 371.307 6.252 0 40 FKAB Cc1ccc(C)c(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 2636926 IDIYWRWSKFBOIW-UHFFFAOYSA-N 374.307 5.143 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 3278954 MJJVIPVEOYLONY-QGOAFFKASA-N 356.469 5.885 0 40 FKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccs2)c1 3348584 OKLMCQBKSZUYPW-UHFFFAOYSA-N 357.862 5.683 0 40 FKAB CSc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4251155 OXECLWYTMGRHJP-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB Clc1ccc2nc(-n3nc4ccccc4n3)cc(-c3ccccc3)c2c1 4311504 XPSYOIPXMRQQHK-UHFFFAOYSA-N 356.816 5.289 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccs2)N3)C1 4553418 LSJRKZSHXATLBC-BZNIZROVSA-N 360.548 5.780 0 40 FKAB CC[C@@H](C)Nc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5246758 PMUJTPWBYICOCF-GFCCVEGCSA-N 354.523 5.137 0 40 FKAB Cc1ccc2c(c1)nc(C)n2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5614945 VMYWFMLQZKVRJP-UHFFFAOYSA-N 350.506 5.943 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(C)cs2)c2ccccc2)c1 6649300 HGONKBNFXLSEHI-SFHVURJKSA-N 368.527 5.540 0 40 FKAB CCCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 6759371 ACLLZSPWVPTTTH-UHFFFAOYSA-N 356.901 5.659 0 40 FKAB C[C@H](O)c1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1 7540765 YEKNIETZMJGCAY-SCUMNGBJSA-N 351.490 5.058 0 40 FKAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3ncsc3c2)cc1 8231808 AZTMMQATMMOXDI-LJQANCHMSA-N 366.486 5.062 0 40 FKAB CCOc1cc(CNCC(C)C)cc(Cl)c1OCc1ccccc1F 8254154 WAECGTKXXMVMIP-UHFFFAOYSA-N 365.876 5.202 0 40 FKAB Cc1ccsc1C(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 8428371 KZRMGNIIIFNANI-UHFFFAOYSA-N 356.428 5.285 0 40 FKAB COc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1OC 8581061 NDVPDWNOBZMBJE-UHFFFAOYSA-N 362.454 5.489 0 40 FKAB Cc1cc(C)c2nc(NC(=O)COc3ccc(C(C)C)cc3)sc2c1 9141272 IWVBIZIRPGYXAS-UHFFFAOYSA-N 354.475 5.054 0 40 FKAB CN1/C(=C\C(=S)Nc2ccc(OC(F)F)cc2)C(C)(C)c2ccccc21 12524197 YSIZMJDMNKJZDB-ATVHPVEESA-N 374.456 5.339 0 40 FKAB CCc1ccc(-c2n[nH]c(SCc3ccccc3C(F)(F)F)n2)cc1 12595666 HEOQFVMWLOEYNW-UHFFFAOYSA-N 363.408 5.345 0 40 FKAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl 12812869 SIBDVVOPEBNARG-KZULUSFZSA-N 363.288 5.061 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccc(C)c3)ccc21 14399127 TYLWCHNOVKBGGA-KRWDZBQOSA-N 372.468 5.529 0 40 FKAB O=C(NCC1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 19074462 OEXUTFCCZGBMNE-UHFFFAOYSA-N 353.306 5.034 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 21601518 BAMVYVJPRMGBOA-LLVKDONJSA-N 368.271 5.016 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22053927 TZEXSNJOIZSKPD-UHFFFAOYSA-N 359.763 5.009 0 40 FKAB CCCc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1 27585142 DJJNNUASHWVTOX-UHFFFAOYSA-N 356.473 5.709 0 40 FKAB O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1ccc(Cl)cc1 31664461 WHALENUBLVVXEH-LJQANCHMSA-N 354.812 5.390 0 40 FKAB Cc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCC4)n2)cc1 33435791 NKAOXTZYDRTTSB-UHFFFAOYSA-N 363.408 5.202 0 40 FKAB O=C(C=C1CCCCC1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 56134032 DTOMTHJCBWAMLI-UHFFFAOYSA-N 358.825 5.014 0 40 FKAB CCCCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 67259703 OLNACCOFNVALNA-UHFFFAOYSA-N 358.894 5.142 0 40 FKAB O=C(CC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 100803478 AIPAEWMUZDTFBO-UHFFFAOYSA-N 362.039 5.756 0 40 FKAB CCOC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924336 UEYAIUYANUAWRC-ZXKBGTPZSA-N 374.609 6.625 0 40 FKAB CC[Si](CC)(CC)c1cc([Si](CC)(CC)CC)c(F)c(F)c1F 195844966 SEKJDQGMPUVAML-UHFFFAOYSA-N 360.612 5.535 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 216334429 BTECYTYGTJHLLR-INIZCTEOSA-N 351.368 5.118 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219321873 NTOPGRRFRHCTRQ-MOPGFXCFSA-N 359.897 5.382 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12 222906607 LMGOCDJKFJZVLG-JOCHJYFZSA-N 361.485 5.933 0 40 FKAB CC(C)Oc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225598745 DHQVSNDXQMYCEW-UHFFFAOYSA-N 374.575 5.084 0 40 FKAB Cc1cccc(C2(NC(=S)Nc3cccc(OC(C)C)c3)CCCC2)c1 225867548 SHEQAVGMLPUAQJ-UHFFFAOYSA-N 368.546 5.538 0 40 FKAB Cc1csc2nc(SCc3ccc(Cl)cc3Cl)nc(O)c12 408597863 SHGSDLSVQARUOV-UHFFFAOYSA-N 357.287 5.304 0 40 FKAB CCc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C)cc2c1 881212 KUZZMDRRUXDUSF-UHFFFAOYSA-N 370.905 5.490 0 40 FKAB Cc1ccc(S[C@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1382507 QTADTQAFLZFLPT-JOCHJYFZSA-N 360.478 5.612 0 40 FKAB Cc1cc(C)c(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 2184164 FIYAVNLDXHLXSS-IBGZPJMESA-N 359.469 5.160 0 40 FKAB CCCc1nc2sc3c(NCCC(C)C)ncnc3c2c2c1CCC2 2407752 PIRBILBZFNWBBF-UHFFFAOYSA-N 354.523 5.139 0 40 FKAB O=c1oc2ccccc2c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 2573880 KBGRDGSUVCUMTR-UHFFFAOYSA-N 367.231 6.434 0 40 FKAB Cc1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)cc1 2668914 AYVIBHYFWWZFHK-UHFFFAOYSA-N 372.468 5.393 0 40 FKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 3243442 YTEZSLKJBXSBOP-HXUWFJFHSA-N 350.801 5.121 0 40 FKAB CC(C)n1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 3569052 CRHRZTHZDIMYQZ-UHFFFAOYSA-N 362.857 5.062 0 40 FKAB Cc1ccccc1OCCn1cc(C(=O)c2ccccc2)c2ccccc21 3648861 FDNTZDSOQOTEGD-UHFFFAOYSA-N 355.437 5.260 0 40 FKAB CCCCOc1ccc(-c2nc(C3CCC(CCCC)CC3)no2)cc1 3897532 MRIGWDAYHACJIA-UHFFFAOYSA-N 356.510 6.380 0 40 FKAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4026458 OKMHWOWJDRPCCT-KJPOAIDHSA-N 356.506 5.165 0 40 FKAB biogenic Fc1cccc(CSc2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 4050239 JPYGXQDRMNEHQH-UHFFFAOYSA-N 354.328 5.187 0 40 FKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cn12 4733810 YJXQDQOFJOXDEU-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB COc1cc(C2SCCS2)ccc1OCc1cccc2ccccc12 6084179 XUUOEJMLVLNESK-UHFFFAOYSA-N 368.523 5.906 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 6396954 FIFHOLSIRUBQSN-UHFFFAOYSA-N 365.260 5.374 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 6468302 FNZNYYBVSBPMCA-ANRSDYALSA-N 367.301 5.609 0 40 FKAB O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)Sc2ccccc21 6496000 XFBPQGFWWXTTRY-JWGURIENSA-N 374.461 5.474 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 6507243 DSXSXESLOFEXDT-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 6907240 FLEDXHCUVHRPKF-INIZCTEOSA-N 364.518 5.043 0 40 FKAB Cc1csc(SCc2ccccc2C(=O)NC2CCCCCC2)n1 7264503 BUIJWMXPTDSTDN-UHFFFAOYSA-N 360.548 5.196 0 40 FKAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc(F)c(Cl)cc1Cl 8073148 JNPQSZGGPGUVLM-SNVBAGLBSA-N 365.235 5.034 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F 9141451 QIPIWUMDJKFCKO-SECBINFHSA-N 355.331 5.017 0 40 FKAB Cc1cc(C)cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 11424703 MLJXZQBJNUZXMU-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB Cc1cccc(C)c1NC(=O)CCCSc1ncc(Cl)cc1Cl 13012182 BRGQUKWRSBKWJY-UHFFFAOYSA-N 369.317 5.516 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Br)c1 13708888 ARZMUTZEGHVJJP-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14006531 OBNSSQXVOAQHJD-SECBINFHSA-N 374.651 5.061 0 40 FKAB CCCCCCOC(=O)C[C@H]1C[C@@H](C(=O)OCCCCCC)C1(C)C 16889853 LQWWBUISXKONLQ-MSOLQXFVSA-N 354.531 5.286 0 40 FKAB Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)cc3)c2C)cc1 17073084 BRSKAKHHJDJJFJ-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)cc1 17198382 OJXAVAFMBMXTBW-QGZVFWFLSA-N 368.285 5.171 0 40 FKAB CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640208 ZEZHPTYTCOOIMP-NXYDZRKXSA-N 354.534 6.071 0 40 FKAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(Cl)cc2cccnc12 55305710 OAEOOSLKKVTBTD-UHFFFAOYSA-N 363.804 5.159 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351349 IXPUWZMXXGSPNT-AVRDEDQJSA-N 367.533 5.636 0 40 FKAB CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 84774044 ZUWFCQXJVPXCLC-UHFFFAOYSA-N 365.816 5.322 0 40 FKAB Cc1c(C)c(C)c2c(c1C)[C@@H]1C=C[C@@H]2C1=C(c1ccccc1)c1ccccc1 101010171 WYQMNPVJLIUOAZ-ZEQRLZLVSA-N 362.516 7.173 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219591994 QOAACHAXWQFXCR-OAQYLSRUSA-N 353.462 5.113 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223107009 GJUHJIBUGJAGOF-PKTZIBPZSA-N 365.517 5.299 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c3ccccc23)CCC[C@@H](C)C1 225855619 DWDPDNLCSDFXRI-ZHRRBRCNSA-N 355.478 5.162 0 40 FKAB CCOc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 409121343 UUGIIRWTKZEJPU-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CC1 409122970 CVDFXURSXKTQBW-MFOYZWKCSA-N 372.877 5.334 0 40 FKAB FC(F)(F)c1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 987797 UYDBKTHSWIROFS-UHFFFAOYSA-N 366.346 5.454 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)C1c2ccccc2Oc2ccccc21 994608 JDRAMFOUGICENS-UHFFFAOYSA-N 370.235 5.870 0 40 FKAB Cc1nc2c(cc(Oc3nnc(C)c4ccccc34)c3ccsc32)s1 1004586 ZLWVRMOWLLEGOO-UHFFFAOYSA-N 363.467 5.863 0 40 FKAB CSc1ccc(-c2nc3n(c2-c2ccccc2)Cc2ccccc2-3)cc1 1515819 VVMXDYFBIHNXFH-UHFFFAOYSA-N 354.478 5.968 0 40 FKAB O=C(Oc1ccccc1)c1cccc2cccc(C(=O)Oc3ccccc3)c12 1734092 GQYNQDRPZODTON-UHFFFAOYSA-N 368.388 5.278 0 40 FKAB Cc1cc(OC(=O)N(c2ccccc2)c2ccccc2)cc(C)c1Cl 1797152 XJVWWHMJYROBPB-UHFFFAOYSA-N 351.833 6.294 0 40 FKAB O=C(C[C@@H](Nc1ccccc1)c1ccc(F)cc1)c1ccc(Cl)cc1 2300415 LZRYLYYWTMCLKY-HXUWFJFHSA-N 353.824 5.905 0 40 FKAB O=C(CCc1nc2ccccc2s1)OCc1c(Cl)cccc1Cl 3273322 ZXXODBCGUJNZKH-UHFFFAOYSA-N 366.269 5.279 0 40 FKAB CC(C)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 3353975 KWRUYPUKDGXCFQ-KRWDZBQOSA-N 370.707 5.703 0 40 FKAB Cc1nc2ccc3nc(Nc4nc5ccc(F)cc5s4)sc3c2s1 4137772 UTDKAQJJXPKXMI-UHFFFAOYSA-N 372.475 5.707 0 40 FKAB CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 4690470 XAUOKUOIADTMCT-XNTDXEJSSA-N 361.875 5.157 0 40 FKAB Nc1cc2ccc1C(=O)CCCCCC1CCC(CCCCCC2)CC1 4788013 HAHYOCUORPCHLY-UHFFFAOYSA-N 355.566 6.715 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccccc23)cc1 4970025 RLDBRQWIWNGJIH-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccc(Cl)c2ccccc12 6053954 IIWPZACAMPYIIG-CQSZACIVSA-N 363.844 5.933 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 6206064 WRFUGURWTQVMCB-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB CCN(C(=O)Nc1ccccc1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 6462967 RVQVZUDZTKEEIF-AWEZNQCLSA-N 350.384 5.190 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1Cl 6495693 RDRBTOJZAIZHSG-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 6936958 PYAQWARXYQBSET-NXTQRVMMSA-N 364.533 5.212 0 40 FKAB Cc1cc(F)ccc1NC(=O)CSC(c1ccccc1)c1ccccc1 6981392 CTZQRATYFWAECC-UHFFFAOYSA-N 365.473 5.595 0 40 FKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCc1ccccc1 8336301 SWYGNZAUQDUQFI-UHFFFAOYSA-N 361.510 5.859 0 40 FKAB CN1/C(=C\CN2C(=O)c3cccc4cccc2c34)C(C)(C)c2ccccc21 8654494 OIIYTHWZPMRWCR-STZFKDTASA-N 354.453 5.112 0 40 FKAB O=C(/C=C/c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 12022094 FUVXFDZSVCYPPM-JLHYYAGUSA-N 363.869 6.183 0 40 FKAB Cc1ccc(C(=O)Sc2nc3ccccc3n2-c2ccc(C)cc2)cc1 12312049 KLCQQQBDOMLNKY-UHFFFAOYSA-N 358.466 5.575 0 40 FKAB Cc1sc2nc(CSc3c(Cl)cccc3Cl)nc(N)c2c1C 14071187 AHBJNVAVQUNNDZ-UHFFFAOYSA-N 370.330 5.489 0 40 FKAB Cc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(C)cc3)c2C)cc1 17075925 YXZVZCUKWWSOHY-UHFFFAOYSA-N 370.471 6.330 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCCOc2ccc(C)cc2)cc1 22510206 XIHJKTSDNBINCN-QFIPXVFZSA-N 369.505 5.066 0 40 FKAB Cc1ccc(-n2nnc(-c3nc(-c4cc(C)ccc4C)cs3)c2C)cc1 38651800 RHVNLMYRJBUBCU-UHFFFAOYSA-N 360.486 5.291 0 40 FKAB CCn1c(SC2c3ccccc3-c3ccccc32)nnc1-c1ccncc1 40161714 DTPFGEQDCXSUAX-UHFFFAOYSA-N 370.481 5.222 0 40 FKAB COc1cccc(Nc2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)c1 40216813 JGTQBBOTHIUFHP-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 44842405 XIYNJAZWBMPRFS-GOSISDBHSA-N 357.812 5.428 0 40 FKAB Clc1cccc(-c2csc(Nc3ccc(Br)cc3)n2)c1 67321866 MHSRILAWZDLUDA-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(F)c1 71326063 VEZMPRUDAZIISJ-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 78458624 LVTHAMOQEJCXPZ-MGPUTAFESA-N 359.897 5.246 0 40 FKAB Cc1ccc2[nH]c(C)c(CC(=O)O[C@@H](c3ccccc3)c3ccccn3)c2c1 84208115 OPWMQNCOTUTUGA-DEOSSOPVSA-N 370.452 5.055 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 90768785 KMOZZJKTWNSBHG-XJKWNJIDSA-N 354.622 7.804 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 216325057 OZNCATNWXXJJAC-FCHUYYIVSA-N 359.469 5.191 0 40 FKAB CC(C)Oc1cccc(CNC(=O)c2ccccc2CCc2ccccc2)c1 219001395 ZHHJQNLTOGOAIN-UHFFFAOYSA-N 373.496 5.189 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1C 219309212 RMSCWBKWAJFUAM-KRWDZBQOSA-N 353.462 5.031 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222992690 FRUUGIJKGWFWQN-AVRDEDQJSA-N 367.533 5.636 0 40 FKAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc2c(c1)CCCC2 223082937 ZEHWTDUVOUGJRH-NRFANRHFSA-N 371.908 5.174 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224454230 VPKVTZUEBMYLDI-UHFFFAOYSA-N 369.505 5.463 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2cccc(Cl)c2)c2ccccc2)c1 225697934 FGRVFDSFXLQACP-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB CC(C)Oc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807431 KKJAFUMDKXJYCE-UHFFFAOYSA-N 370.562 5.516 0 40 FKAB COC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12 946554 HSHSCGZWRITRDT-UHFFFAOYSA-N 365.212 5.414 0 40 FKAB biogenic COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(C)cc23)cc1 955699 ZMUHCSGPXZYRIQ-YYDJUVGSSA-N 371.436 5.658 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c(C)c1 1312331 LKAPZDJAFQGHPI-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Clc1ccc(Oc2cc(Cl)c(-c3ccccc3)nn2)c(Cl)c1 1406797 KKCXOURIEXZHDV-UHFFFAOYSA-N 351.620 5.896 0 40 FKAB COc1ccc(-c2csc(-n3nc(C(C)C)cc3C(F)(F)F)n2)cc1 1415781 FPFPCEZAIPHAAC-UHFFFAOYSA-N 367.396 5.147 0 40 FKAB Cc1oc2cc(OC(=O)c3ccccc3F)ccc2c(=O)c1-c1ccccc1 1447949 RJXHOMIOUPLTFD-UHFFFAOYSA-N 374.367 5.127 0 40 FKAB biogenic CCC[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 2107672 IESPCFYHXLJIEM-IBVKSMDESA-N 372.556 5.973 0 40 FKAB biogenic Cc1ccc2c(c1)c1c3n2CCN(C(=S)Nc2ccccc2)[C@H]3CCC1 2250774 UDOLHNJOUCFEJV-FQEVSTJZSA-N 361.514 5.040 0 40 FKAB CC(C)CCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 2378444 FEHBQSKSCXMMMP-UHFFFAOYSA-N 374.506 5.826 0 40 FKAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1 2429177 KDSNXIZQLWXDPC-UHFFFAOYSA-N 368.893 5.471 0 40 FKAB O=C(Nc1cc(F)c(F)cc1Cl)NC1CCCCCCCCCCC1 3096366 KAIQEPNEKDHODN-UHFFFAOYSA-N 372.887 6.413 0 40 FKAB Cc1ccc(N[C@H](c2c[nH]c3ccccc23)P2(=O)O[C@@H](C)[C@@H](C)O2)cc1 3877392 SUJTZZWELBPEGF-YTFZMETMSA-N 370.389 5.604 0 40 FKAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(C(C)C)cc1 3895927 GYWKZNVXJDIVBU-OQOZKDDRSA-N 372.553 5.106 0 40 FKAB CCOc1ccc(C(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1 4949002 FBRHTYVIRFZCKB-UHFFFAOYSA-N 366.486 5.047 0 40 FKAB CCCCOc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 6399271 CNHWOCFFZSRVBJ-LFIBNONCSA-N 369.464 6.844 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(Cl)cc(Cl)c1OC(F)F 7781168 UJNINULTFGKESJ-UHFFFAOYSA-N 366.578 5.501 0 40 FKAB CN(C(=O)Cc1c(F)cccc1Cl)C(c1ccccc1)c1ccccc1 7800364 GNCBWFNHQJKQBS-UHFFFAOYSA-N 367.851 5.270 0 40 FKAB Clc1ccc(COc2ccccc2CNCc2ccccn2)c(Cl)c1 8435775 GGADCXJPYLBRCO-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 9141309 ZVUXGKORLWZFES-UHFFFAOYSA-N 350.462 5.777 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 10446378 ZTRVKHFXJUTITQ-UHFFFAOYSA-N 359.425 5.091 0 40 FKAB CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 13632260 KPNJCIGLLJITQN-HNNXBMFYSA-N 350.245 5.026 0 40 FKAB Fc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1Cl 13820608 NMGWHYJBGJPENR-UHFFFAOYSA-N 370.880 5.555 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3Cl)o2)cc1 15867350 GNIRDVJDLVHKCS-UHFFFAOYSA-N 355.821 5.180 0 40 FKAB Brc1cccc2c(-c3nc4c(ccc5ccccc54)o3)cccc12 16526140 JCUDAYBMTXTCPC-UHFFFAOYSA-N 374.237 6.564 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 20458297 XDLXZLPWVPJZBA-RDPSFJRHSA-N 373.496 5.285 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccnc2)nc2ccccc12 21935083 LAKRYTNONQYFQM-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(C)cc2)cc1 27664017 FLJFSNFXKYPHKJ-UHFFFAOYSA-N 351.471 5.302 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 30755849 URKUFODMHATCQF-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB CCOc1cc(COc2ccc(C=O)cc2)ccc1OCc1ccccc1 33666734 PRMWCMJEWYLYLN-UHFFFAOYSA-N 362.425 5.056 0 40 FKAB O=C(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 36345404 NGNPHNWIFLLNLJ-JAXLGGSGSA-N 353.893 5.442 0 40 FKAB COC(=O)C1=C(Nc2ccc(Cl)cc2)C=C(C)C[C@H]1c1ccccc1 66091570 XJUNJZUJLREKOI-SFHVURJKSA-N 353.849 5.313 0 40 FKAB O=C(C1CCCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380277 SKRFBTPSHMCPRH-QGZVFWFLSA-N 371.912 5.016 0 40 FKAB Fc1ccc2c(c1)[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)CCS2 90805899 XXTCEMCTMCPVFN-CWFSZBLJSA-N 357.494 5.120 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCCC[C@@H]1c1ccncc1 95367826 FHCLARSFELDXKJ-HSZRJFAPSA-N 373.500 5.153 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(F)c1 98073101 VEJUESNXDCAKAT-INIZCTEOSA-N 361.416 5.107 0 40 FKAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=NC23CCCCC3)CCC1 102674637 KBSDGMWHTCGCIP-UHFFFAOYSA-N 366.490 5.218 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1C 107039656 ACWJOHNEDRMUTK-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCCCCC2)cc1 222804158 OFCQXPUEYAKBLO-UHFFFAOYSA-N 372.512 5.146 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223371918 JYFPDYQDXKOQLT-UWJYYQICSA-N 369.505 5.162 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223467195 XHMPBHWWWHRYSH-FPOVZHCZSA-N 353.506 5.264 0 40 FKAB CC(C)CNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957881 YYDGNBBOHQEEAG-UHFFFAOYSA-N 354.837 5.048 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533415 IKYVERBNSDWTMD-UHFFFAOYSA-N 351.490 5.706 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225744246 XDWUEXIUZHEPEZ-HSZRJFAPSA-N 369.505 5.580 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2ccccc12 225811454 QFPZMCNRJUBINB-BNGSBABLSA-N 369.505 5.551 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)s1 669601 WMUYZWMQULXLMN-UHFFFAOYSA-N 364.514 5.724 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)o1 670702 ZGTRMRLRJVSSGS-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB O=C(Nc1ccccc1)Oc1cccc(-c2ccc(-c3ccccc3)cc2)c1 1594232 HLTFVTDGJMNIBS-UHFFFAOYSA-N 365.432 6.632 0 40 FKAB COc1ccc(-c2ccc(Cc3ccc(-c4ccc(OC)cc4)o3)o2)cc1 1612275 LGDUEBFECKNXDM-UHFFFAOYSA-N 360.409 5.815 0 40 FKAB CC(C)OC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1641150 SIVWOEZATKKCEA-UHFFFAOYSA-N 352.428 5.877 0 40 FKAB CCc1cc(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 2353067 QLDNSIKVWOTQMD-UHFFFAOYSA-N 354.405 6.230 0 40 FKAB Cc1sc(N[C@H](C)c2ccccc2)nc1-c1ccc(Br)cc1 3377181 UHOLGKBJCLXCOI-GFCCVEGCSA-N 373.319 6.054 0 40 FKAB C/C(=C\c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)[C@H](O)CC2(C)C 3785287 AILNZJCWRAWPSD-CNCHJIQNSA-N 350.502 5.059 0 40 FKAB in-man Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)o1 3904771 HKTXXPVZRAWXCN-XUZZJYLKSA-N 372.468 5.954 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccncc2)N3)C1 4109068 UTZQGBSECKTNMR-CXAGYDPISA-N 355.507 5.113 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2sc3ccccc3c2s1 4966338 UOXAYJKEIVURJY-UHFFFAOYSA-N 367.539 5.815 0 40 FKAB O=C(Nc1ccc2c(c1)CCC2)c1cc2sccc2n1Cc1ccccc1 4971024 RRCAKDZYIWEZAH-UHFFFAOYSA-N 372.493 5.492 0 40 FKAB FC(F)(F)c1ccccc1CNc1ccc(-c2nc3ncccc3o2)cc1 4973796 LXUMRVGWVZMAEZ-UHFFFAOYSA-N 369.346 5.521 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl 5670613 RCWUJNIHBUZOOV-QHHAFSJGSA-N 361.055 5.952 0 40 FKAB Cc1cccc(Oc2ccc(NC(=O)Cc3noc4ccccc34)cc2)c1 7808369 NGDRGZHGZNPIBQ-UHFFFAOYSA-N 358.397 5.110 0 40 FKAB CCOc1ccc2ccccc2c1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 8325148 HLFHPPKDAAAVSF-KNEUKCCGSA-N 363.545 5.933 0 40 FKAB Cc1ccc(C)c(OCCC(=O)N(c2ccccc2)c2nc(C)cs2)c1 8327863 ACAAMZXPCGBIIK-UHFFFAOYSA-N 366.486 5.202 0 40 FKAB COc1ccc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CC2)cc1 12907333 KULBXLCGSDPGGK-UHFFFAOYSA-N 365.260 5.199 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1 14258460 YXMLDHKKZHDTRP-UHFFFAOYSA-N 352.821 5.094 0 40 FKAB O=C(Nc1cccc(Cl)c1F)c1ccccc1SC[C@@H]1CCCO1 19310412 XPTQDBFWGKYPEN-LBPRGKRZSA-N 365.857 5.003 0 40 FKAB C[C@@H]1CC(=O)c2c(Nc3cccc(Cl)c3)nn(-c3ccccc3)c2C1 20671931 MLNMVUUDNHBHLH-ZDUSSCGKSA-N 351.837 5.034 0 40 FKAB Cc1cc(C)cc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 22480070 IZJRPCZMBUDGOL-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB CC[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(OC)cc1 30860648 SKCIXHXWWRNVSO-WLUIYZDRSA-N 371.480 5.503 0 40 FKAB CN(C)c1ccc(-c2nc3ccccn3c2Nc2cccc(Cl)c2)cc1 35616113 FBZUVKFTZGOASZ-UHFFFAOYSA-N 362.864 5.464 0 40 FKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccc(C)cc1C 40050020 PDHOCRQQTKLPGD-UHFFFAOYSA-N 369.515 5.105 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ncc(-c2ccccc2)s1 40087540 WYBPVBSJOILVMT-UHFFFAOYSA-N 361.470 5.253 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(C)cc1 44935881 UKEYUWKFSJAQPZ-QHCPKHFHSA-N 364.533 5.252 0 40 FKAB Cc1cc([C@H](C)NC(=O)c2ccccc2Oc2cccnc2)c(C)s1 58230837 DGVCGDJGYMQVIA-AWEZNQCLSA-N 352.459 5.043 0 40 FKAB Fc1ccc(Cl)cc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71761678 NYXCQEJVMSKXFO-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C 72215038 LGEIMSXWYIZDLH-GOSISDBHSA-N 361.530 5.169 0 40 FKAB O=C(c1ccccc1Oc1ccccc1)N1CCC(c2cccs2)CC1 75157053 PINBUERBKFECHZ-UHFFFAOYSA-N 363.482 5.560 0 40 FKAB CCCc1ccc(-c2ccc(-c3cc(F)c(C(=O)O)c(F)c3)c(F)c2)cc1 85223828 VJJGOAJTDWSDMB-UHFFFAOYSA-N 370.370 6.089 0 40 FKAB FC(F)(F)c1cccc(N/C=C/c2ncc(C(F)(F)F)cc2Cl)c1 100324248 QYXDJUZRODRNEM-SNAWJCMRSA-N 366.692 5.855 0 40 FKAB COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100902531 SOLFGTIEYURABM-BBIZWXPBSA-N 361.557 5.467 0 40 FKAB Cc1cccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219843917 BWKDKAAMBWRVAS-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB COc1ccccc1[C@H](C)NC(=O)/C(=C/c1ccccc1)c1ccccc1 224037061 YOVYNDXTBYQPNV-VJWQYWRGSA-N 357.453 5.113 0 40 FKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1CSc1ccccc1 224324150 PXEMBHRLKKDREY-UHFFFAOYSA-N 367.445 5.379 0 40 FKAB Nc1c(-c2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1ccccc1 225180750 DUQOIIUUFSYESK-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(C)c(C)c1 225361705 NGRKEEFOJAULGH-LJQANCHMSA-N 364.316 5.810 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2ccccc12 225794365 PRTWZBGITAFMMC-AOMKIAJQSA-N 357.494 5.407 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 226283916 FHFDSXCHZGEEDR-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)c2ccccc21 409115409 IZUPTLTYPRUEKA-JCMHNJIXSA-N 373.427 5.312 0 40 FKAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CC2CCCCC2)N1c1ccc(F)cc1 1615159656 PDTDDJIYGXMAFI-SFTDATJTSA-N 372.528 5.144 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682563 LKDOTNTWLACOHE-LLVKDONJSA-N 372.679 5.670 0 40 FKAB COc1ccccc1/C=C/C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 941487 UONSHTPAKMGMAJ-OUKQBFOZSA-N 364.470 5.087 0 40 FKAB CC(C)CC(CC(C)C)OP(=O)(O)OC(CC(C)C)CC(C)C 1600175 IRLUWWHPOIQGGL-UHFFFAOYSA-N 350.480 6.042 0 40 FKAB Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1-c1ccccc1)CCCCC4 2093330 GPGMGPMPOPUVAV-UHFFFAOYSA-N 358.437 6.092 0 40 FKAB biogenic CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(Cl)cc4)coc3c12 2101178 KZJJFCMRMWPMEN-UHFFFAOYSA-N 352.817 6.121 0 40 FKAB biogenic Clc1ccc(Sc2snnc2-c2ccc(Cl)cc2Cl)cc1 3118892 GNCYVJIEOKAUEV-UHFFFAOYSA-N 373.717 6.317 0 40 FKAB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 3447131 BJQALGISSMJKPB-HNNXBMFYSA-N 364.828 5.221 0 40 FKAB CSc1ccc(-c2nc3cc(C)ccn3c2NC2CCCCC2)cc1 3909909 LQPFSKVLZOLBLM-UHFFFAOYSA-N 351.519 5.776 0 40 FKAB COc1ccc2c(C3(O)c4ccccc4Oc4ccccc43)cccc2c1 4023455 MGWJJYDAWIQAPN-UHFFFAOYSA-N 354.405 5.238 0 40 FKAB biogenic CCCCCc1nc(C2CCC(c3ccc(-c4ccccc4)cc3)CC2)no1 4673357 GLUZGQUFAJDXGZ-UHFFFAOYSA-N 374.528 6.911 0 40 FKAB COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccccc23)cc1 4970131 VZJVVGLPLBSQNS-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 5463548 DCVGXWHNOOYLAN-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc2ccccc12 6045863 XJBMZLSJBXGYFV-UHFFFAOYSA-N 350.849 5.346 0 40 FKAB FC(F)Oc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 6079233 OBKPPRUACYMBOF-KPKJPENVSA-N 353.393 6.221 0 40 FKAB O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1ccccc1Cl 6810609 QXZKLXFRNPIITB-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(C4CC4)c3C)cs2)c1 7845538 CHMLNBQDWKZKPK-UHFFFAOYSA-N 365.502 5.053 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)CCC4)o2)cc1C 10922655 FEFYYLILWVJELB-UHFFFAOYSA-N 360.457 5.018 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(-c3nccs3)cc2)c1 12754818 GEJDLFHUDBEVRU-UHFFFAOYSA-N 360.891 5.438 0 40 FKAB CC(C)(C)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 13008584 VQVGIOMQDFZLBW-UHFFFAOYSA-N 356.516 5.350 0 40 FKAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)c1 20796697 VQHMUGQHTYSFBB-UHFFFAOYSA-N 363.436 5.219 0 40 FKAB O=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc(Br)cc2)o1 21487153 MKFZGQSLRUFPPO-LFIBNONCSA-N 366.214 5.202 0 40 FKAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CNC2CCCCC2)cc1 26780328 HLHCIXOMQNYVCC-HXUWFJFHSA-N 361.570 5.062 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccccc2OC)cc1 27664106 SAHFJTFDOJUJIW-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB Cc1ccccc1COC(=O)c1ccc(COc2ccccc2Cl)o1 28562169 PKZRRAILIZFILJ-UHFFFAOYSA-N 356.805 5.177 0 40 FKAB O=C(Nc1ccc(SC2CCCC2)cc1)c1cc(=O)c2ccccc2o1 30183715 YOMHYIRUDXAZBX-UHFFFAOYSA-N 365.454 5.080 0 40 FKAB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 32752550 KMRKTLLWTDBWRD-XMHGGMMESA-N 370.452 5.401 0 40 FKAB c1ccc2c(c1)-c1ccccc1C2CCCC1c2ccccc2-c2ccccc21 68568386 DJRNYRBKUIBRIF-UHFFFAOYSA-N 372.511 7.782 0 40 FKAB biogenic Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 78457549 WKRAPRGIYQLWTN-MOPGFXCFSA-N 353.506 5.380 0 40 FKAB C[C@H]1C[C@H](C)CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 216799384 AETRIGPAXQQEJN-GJZGRUSLSA-N 354.881 5.626 0 40 FKAB O=C(CCc1cccc2ccccc12)NCCCc1ccccc1Cl 222671757 HEGIPDCJJZFEDV-UHFFFAOYSA-N 351.877 5.175 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 224787138 VVGPEJILCBASRR-LEWJYISDSA-N 369.505 5.045 0 40 FKAB O=C(Nc1cccc2ccccc12)Oc1ccccc1Cc1ccccc1 1640179 CYNPKXFVNVESDB-UHFFFAOYSA-N 353.421 6.042 0 40 FKAB Cc1cc(Br)cc2c3cc(Br)ccc3n(C)c12 2022149 IHWYHRRKRXJUQA-UHFFFAOYSA-N 353.057 5.165 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2051822 FEZGWZZQWPKBOY-UHFFFAOYSA-N 355.787 5.909 0 40 FKAB CCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1C 2315081 YEAJTFDIICSCMB-UHFFFAOYSA-N 352.503 5.367 0 40 FKAB C[C@@H](CCc1ccccc1)Nc1ncnc2sc(-c3ccccc3)cc12 3279775 KCSMCCIWEOEINS-INIZCTEOSA-N 359.498 5.792 0 40 FKAB Cc1ccc(OCCn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 3648863 WTCZTUGXDUFEKE-UHFFFAOYSA-N 355.437 5.260 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1 4076933 PAXVTQTZQGGPFN-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB aggregator CC(C)CC[C@@H](CCNC/C=C/c1ccccc1)[C@@H]1CCOC(C)(C)C1 4085193 KVPNTTYXOXZHSK-SSAJIMRWSA-N 357.582 5.937 0 40 FKAB biogenic Clc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c(Cl)c1 4784622 IEJADHPURKTODC-RMKNXTFCSA-N 373.268 5.330 0 40 FKAB Cc1ccc(CN(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)o1 5421190 BUBZWPCXCSSEFQ-FQEVSTJZSA-N 351.471 5.080 0 40 FKAB CC[C@@]1(C)C[C@](CCN[C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 5477815 FRRPVDBEADNXFW-DZFGPLHGSA-N 351.962 6.002 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1sc2ccccc2c1Cl 5498678 AAJHXGTXCPECAO-UHFFFAOYSA-N 371.933 7.054 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1Cl 5614466 NSAYOHCYKXUQPW-UHFFFAOYSA-N 363.288 5.544 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 6260074 NHCZTBBTQLQCDX-UHFFFAOYSA-N 366.686 5.652 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6862018 FMSQBWJTGXGCHN-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB CCOc1ccc(N(C(=O)[C@H]2C[C@H]2C)c2nc3ccccc3s2)cc1 7779833 CAWNACHOWYIRJQ-CJNGLKHVSA-N 352.459 5.016 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc2c(F)cccc2s1 7985906 MSMZLHHJHKAQNX-UHFFFAOYSA-N 354.431 5.416 0 40 FKAB CC(C)CC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 9141041 FFXKSVLNSBTYMJ-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cc3ccccc3o2)C(C)C)cc1 9869448 CHBLRAHVDNKZPW-BTYIYWSLSA-N 366.461 5.199 0 40 FKAB Clc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 12082732 YNXGQFYFCLGEMT-LYBHJNIJSA-N 366.247 6.639 0 40 FKAB O=C(Nc1ccccc1F)c1sc(-c2ccco2)nc1-c1ccccc1 12872578 NQZSEAUOWXMQJU-UHFFFAOYSA-N 364.401 5.462 0 40 FKAB c1csc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)c1 13266467 RAXOUGMMMWOGFI-UHFFFAOYSA-N 356.501 5.002 0 40 FKAB CCOc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1 13653985 CDVFNNRMCXWMNC-HXUWFJFHSA-N 363.486 5.536 0 40 FKAB Clc1ccc(COc2ccc(CNC3CCCCC3)cc2)c(Cl)c1 16401540 JYZHQQBWBJWASV-UHFFFAOYSA-N 364.316 5.995 0 40 FKAB FC(F)(F)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 23508195 YYJPFNJWIGWZRZ-UHFFFAOYSA-N 363.408 5.094 0 40 FKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1C1CCCC1 59094283 XEUYKZAKAPDCOX-UHFFFAOYSA-N 370.905 5.457 0 40 FKAB CCOc1cccc([C@H](C)NC(=O)c2sccc2-c2ccccc2)c1 60185339 GPUJMZZDJPLBCC-HNNXBMFYSA-N 351.471 5.305 0 40 FKAB Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccccc3F)n2)s1 72375110 SGRWESBHLAUCLO-GOSISDBHSA-N 368.481 5.066 0 40 FKAB CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 102957373 NBWSYABCXXERDD-SQFISAMPSA-N 362.860 5.077 0 40 FKAB Fc1ccccc1CNc1ncc(-c2ccsc2)c(-c2cccnc2)n1 105870439 UODOPFQXZWRWGO-UHFFFAOYSA-N 362.433 5.018 0 40 FKAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 222741079 LBMJHEBRORNHHL-KRWDZBQOSA-N 355.547 5.403 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 223316220 KVWQDMCUQVVCHP-DYESRHJHSA-N 351.490 5.080 0 40 FKAB CC(C)Oc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1 225807401 LCYMVMBIYNTLMR-UHFFFAOYSA-N 370.562 5.516 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 225808010 VIGUOKOXTHNDKJ-UHFFFAOYSA-N 369.852 5.085 0 40 FKAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1 408833069 RKUSEVMAWDMMQD-UHFFFAOYSA-N 359.469 5.739 0 40 FKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccco4)nn13)[C@@H](C)CC(C)(C)N2 575473109 GZLJVJQZBDOIIH-AWEZNQCLSA-N 373.460 5.057 0 40 FKAB CCCc1cc2c(=S)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OC 630493 DBPIJQYSMLJCKM-UHFFFAOYSA-N 368.454 5.828 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1 803542 CFENZAQTXHOLFI-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB Cc1nc(Sc2nc3ccccc3o2)c2c3c(sc2n1)CCCC3 934515 USMJBGUTUNHDRF-UHFFFAOYSA-N 353.472 5.171 0 40 FKAB COc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1 954346 HRVQOMSVVQYDLX-UHFFFAOYSA-N 370.456 5.115 0 40 FKAB CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(C)cc1)c1ccccc12 972648 BJHKEOWSGYOZHA-UHFFFAOYSA-N 358.393 5.625 0 40 FKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1 991325 JSCARFUSORLCLC-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB CCCc1cc(=O)oc2cc(OC/C=C(\C)CCC=C(C)C)c(Cl)cc12 2139630 KHCHBXFWFJVLJZ-MHWRWJLKSA-N 374.908 6.470 0 40 FKAB biogenic CC(C)Oc1ccc(-c2nc(N3CCC[C@@H](C)C3)c3ccccc3n2)cc1 2225115 OPVKWENHMARYRK-QGZVFWFLSA-N 361.489 5.320 0 40 FKAB Cc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 2300204 MUOJRXNNBDEIMH-UHFFFAOYSA-N 354.388 5.083 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(Br)s1 3236296 IIZUJIXYEQDNID-UHFFFAOYSA-N 351.052 5.070 0 40 FKAB Cc1cc(OCCCn2cc(C(=O)C3CC3)c3ccccc32)ccc1Cl 3648655 RPWXCFPKXBZLSQ-UHFFFAOYSA-N 367.876 5.665 0 40 FKAB COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)cc1 3911579 ZBYVLDDZHMNKFM-UHFFFAOYSA-N 363.848 5.715 0 40 FKAB CN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 5008435 NJDNZYDKWJWFKX-UHFFFAOYSA-N 367.901 5.909 0 40 FKAB Cc1ccc(CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)o1 5421175 BUBZWPCXCSSEFQ-HXUWFJFHSA-N 351.471 5.080 0 40 FKAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 5880602 MTBKSLVHLVNVOH-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB CCc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 6124707 PGOOPAUVHUKUQW-UHFFFAOYSA-N 364.514 5.922 0 40 FKAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc(Cl)sc1Cl 6227282 QAGPKTINGLPMTI-UHFFFAOYSA-N 374.636 5.011 0 40 FKAB CC(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 6858890 XIRPMGOKFDDHCL-UHFFFAOYSA-N 374.463 5.685 0 40 FKAB Cc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 6861064 IDVNPZKPVBAASM-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 7716006 HGTJWSLOSPFAHB-UHFFFAOYSA-N 373.496 5.977 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(OCCc2ccccc2)cc1 8564296 HALOBVYDRUBKJZ-UHFFFAOYSA-N 359.469 5.431 0 40 FKAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccccc3)c(C)c2cc1Cl 8868625 YVWVJJOJADLEPV-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 10338543 BTYRZPOKDMYPDL-UHFFFAOYSA-N 369.814 6.054 0 40 FKAB Cc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c(Cl)c1 12874174 PUKZVPGQMRKTRL-UHFFFAOYSA-N 364.832 5.300 0 40 FKAB COc1cccc(-c2nc(Oc3cccc(C)c3)c3ccccc3n2)c1O 13125489 XRAKBMTXMWEHGU-UHFFFAOYSA-N 358.397 5.112 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 14401116 XPHKCZDWKGSIPL-ZDUSSCGKSA-N 365.395 5.409 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccccc3C)c2)cc1 17312513 DMORKIDDDZXERR-LJQANCHMSA-N 358.485 5.407 0 40 FKAB C[C@@H]1CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3ccccc3)c2C1 20671889 UXIHSNIYSBRFDH-ZDUSSCGKSA-N 351.837 5.034 0 40 FKAB O=C(Nc1ccccc1)N(Cc1cccc2ccccc12)c1ccccn1 20897020 LWWMPZXYUOEENZ-UHFFFAOYSA-N 353.425 5.474 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OCC 21247414 NSRQBXFINVUMFV-UHFFFAOYSA-N 361.869 5.397 0 40 FKAB C[C@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl 33040093 GSYXGONAGCCDRU-KGLIPLIRSA-N 370.855 5.310 0 40 FKAB Cc1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1 33298171 UGQYOXJLCFSYAR-UHFFFAOYSA-N 367.861 5.413 0 40 FKAB Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)cc1 36620430 QRMDBJQPPNSRGQ-GOSISDBHSA-N 373.294 5.435 0 40 FKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1 39755319 HTBHHDWCZNNWHW-UHFFFAOYSA-N 370.924 5.116 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2)cc1 44947379 ZFTXWYIBOHAURX-JXFKEZNVSA-N 357.519 5.079 0 40 FKAB COc1cc(N)c2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57352574 WQDBOEBKWGUZEV-UHFFFAOYSA-N 368.462 5.069 0 40 FKAB CC(=O)Nc1ccc(SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 65476734 FTDMQSYGIIGSGX-UHFFFAOYSA-N 369.436 5.805 0 40 FKAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72214405 NEEBFTCUNCZNKS-LJQANCHMSA-N 367.493 5.156 0 40 FKAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(OC(C)C)c2ccsc2c1 72241217 IACWGBJDNWUAQV-UHFFFAOYSA-N 371.506 5.335 0 40 FKAB COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 89904535 GABUWDRYKMYKBX-ADLMAVQZSA-N 365.304 5.312 0 40 FKAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)Nc1ccc(Cl)cc1 96182553 HHEZSUQVXOXJSB-UHFFFAOYSA-N 355.869 5.111 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc4ccccc34)C2=C(O)C1 102876264 ZDUZENOBYVNRQE-XMMPIXPASA-N 368.480 6.711 0 40 FKAB Cc1ccc(COc2cccc(CNc3ccc(C)c(Cl)c3)c2)cc1 106974272 TZWMNYGMMBNZNM-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCCC2)cc1 219057178 ZQYJPXNSJTXOSQ-CQSZACIVSA-N 359.853 5.067 0 40 FKAB Cc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1Cl 225540211 YIYWGXPEFJOWNR-UHFFFAOYSA-N 353.318 5.221 0 40 FKAB Clc1cc(Cl)c2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 226250442 ALVPHUYXCOYVOG-UHFFFAOYSA-N 359.256 5.424 0 40 FKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1ccccc1Cl)c1ccccc1 408926895 WPSKVQOHQIUMCV-ZPLPAJNRSA-N 351.877 5.185 0 40 FKAB CCOc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408994876 HLJRZHDJKPBDBM-CJBVTVNNSA-N 363.457 5.080 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cc(Cl)cc(Cl)c3)sc2C)cc1C 409049161 VEMSSFWTMXBGPL-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB Clc1ccc(OCc2cccc3ccccc23)c(CNc2ccccc2)c1 409111022 AODWSBGKDHVJLT-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(Cl)cc1 409392648 QZRDYEXZBZQPQO-UHFFFAOYSA-N 367.861 5.100 0 40 FKAB Cc1ccccc1C[C@@]1(C)CCc2cccc(-c3cccc(C(=O)O)c3)c2O1 585265936 YKGQRUORGUQSIC-RUZDIDTESA-N 372.464 5.687 0 40 FKAB Fc1ccc(-c2csc3ncnc(NCCc4cccs4)c23)cc1 934497 ALVSBRKAQHIQAU-UHFFFAOYSA-N 355.463 5.214 0 40 FKAB Cc1cccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)c1 1515002 JZCAVWGYEXHDFO-VHXPQNKSSA-N 351.409 5.517 0 40 FKAB Cc1nc(Nc2ccccc2Cl)c2cnn(-c3ccccc3Cl)c2n1 1576928 QFFURNYBKTYKKT-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ncsc2c1 2627337 HGHWTIKLAFFHGT-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB O=C(Nc1ccccc1F)c1ccccc1-c1ccc(C(F)(F)F)cc1 2654327 UPZPOTOIUDDQEX-UHFFFAOYSA-N 359.322 5.764 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 3140395 UCVDVFXZRLTVJR-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB Cc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1C 3177087 FFWKCCDZTDOVCP-UHFFFAOYSA-N 353.358 5.981 0 40 FKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Cl)cc3)c2C1 3316432 BUOPEOJIRZXMAF-AWEZNQCLSA-N 365.860 5.370 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)n2c1nc1ccccc12 3353352 APKAPIAAQAFJMT-UHFFFAOYSA-N 374.749 5.391 0 40 FKAB CCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 3830784 RSEPBGGWRJCQGY-YDLBFBONSA-N 356.506 5.350 0 40 FKAB biogenic Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)cc1 4970146 PCWZXYOHUUBRHI-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB CC(C)c1ccc(Cc2cn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 5020434 GEWADXGEHJCQBP-UHFFFAOYSA-N 366.917 6.430 0 40 FKAB FC(F)(F)c1cccc(Nc2nc(-c3ccccn3)nc3ccccc23)c1 5066893 LQERTIBTELQQQA-UHFFFAOYSA-N 366.346 5.454 0 40 FKAB CC(C)CC[C@H](CCN[C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 5499661 HDPQPBVKYYFUBB-ZJSXRUAMSA-N 367.577 6.735 0 40 FKAB CCCCC(=O)Nc1cc2nn(-c3ccc(CCCC)cc3)nc2cc1C 6264754 ZLYINQUOUTVVQE-UHFFFAOYSA-N 364.493 5.200 0 40 FKAB CCCCCc1ccc(-c2ccc(C3CCC(CCC)CC3)c(F)c2)nc1 6417636 WATRLQMGAXHUQC-UHFFFAOYSA-N 367.552 7.694 0 40 FKAB CCc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCCC2)cc1 6870950 MGYMRTKGBLJIRE-UHFFFAOYSA-N 368.908 5.564 0 40 FKAB Cc1nc(SCc2cc(-c3ccccc3)on2)n(C2CCCC2)c1C 7030753 UZYZHOFPEXHGCF-UHFFFAOYSA-N 353.491 5.562 0 40 FKAB C[C@H](CNC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 7963053 QSCGCUNNLCSZGI-CQSZACIVSA-N 362.454 5.090 0 40 FKAB C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cc2ccccc2o1 8239071 BVFBGPNVRYPLOJ-CYBMUJFWSA-N 369.511 5.402 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@H](C)C5)[C@@H](C)CCC3)c1 12610209 FPILJRVAZJCQIJ-HOTGVXAUSA-N 361.554 6.836 0 40 FKAB Cc1cc(Oc2ncnc3sc4c(c23)CCCCC4)ccc1C(C)C 13041191 ANHNJZIPMDLJOR-UHFFFAOYSA-N 352.503 6.184 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(C(C)C)cc2)nc2ccc(Cl)cc12 15829189 GJPBBQSYKNINOJ-UHFFFAOYSA-N 368.864 5.663 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)cc1 17041053 OMVAEKLYXHKFRZ-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB biogenic CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 17074007 BJTQABCVLVRJAR-IBGZPJMESA-N 358.485 5.615 0 40 FKAB CCCCCCOc1ccccc1CNc1ccc(OCC(C)C)cc1 19738160 OADFKPOMBKZLJY-UHFFFAOYSA-N 355.522 6.293 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C)nn23)cc1 23114983 RKICBJRLPOIOTI-UHFFFAOYSA-N 372.472 5.464 0 40 FKAB CCCc1cc(Nc2cc(C)cc(C)c2)n2ncc(-c3ccccc3)c2n1 27585162 PEQJTFWTLQZPIM-UHFFFAOYSA-N 356.473 5.709 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 27839402 XQNFFMAAIHYMEP-UHFFFAOYSA-N 365.260 5.230 0 40 FKAB COc1ccc([C@H](C)NCc2ccc(-c3ccccc3F)s2)cc1F 30628266 HYRMNTFSXCWSBC-ZDUSSCGKSA-N 359.441 5.553 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 31866828 ZQCNJFVFQJZNGP-GOSISDBHSA-N 361.510 5.381 0 40 FKAB Cc1cccc(-c2nnc(SCCOc3ccccc3)n2C(C)C)c1 35655204 ATOYEXRKRNMKCF-UHFFFAOYSA-N 353.491 5.006 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)CSCc1ccccc1)c1ccccc1 38755580 MPFDXDXNINAQOH-QHCPKHFHSA-N 361.510 5.134 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1 40090071 AWQOLKQMDCWDDM-UHFFFAOYSA-N 371.893 5.117 0 40 FKAB Cc1cc([C@@H](C)NC(=O)c2ccccc2Oc2cccnc2)c(C)s1 58230834 DGVCGDJGYMQVIA-CQSZACIVSA-N 352.459 5.043 0 40 FKAB CCCCSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 59855558 PZBMGXSGDJQIHM-UHFFFAOYSA-N 356.516 5.749 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1nc(SC)n2ccccc12 60550590 DXVWWRWPFYYQKN-UHFFFAOYSA-N 373.909 5.087 0 40 FKAB CCc1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 64472423 HOIWOFRIZXERPT-UHFFFAOYSA-N 372.493 6.021 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)c(C)c1 72238783 REMUZDAORYTHIF-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB COc1ccc([C@H]2CN[C@@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 83943999 SSRVTXWLYQYDND-OFNKIYASSA-N 354.453 5.001 0 40 FKAB Cc1cc(C)n(-c2ccc([C@@H](C)N[C@H](C)c3c(F)cccc3F)cc2)n1 95462665 KIVWDYWOZVVRFT-HZPDHXFCSA-N 355.432 5.179 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 96504005 RSYXEDBUPHTOPH-UHFFFAOYSA-N 373.239 6.430 0 40 FKAB CC(=O)OCCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118928966 JTBQFWLJEIHPGJ-FQJIPJFPSA-N 362.554 5.368 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 218979384 KTXPMZVGXDPMIA-LJQANCHMSA-N 359.469 5.373 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccccc2)on1 224064802 KVDPCVJEUABPRM-UHFFFAOYSA-N 356.381 5.386 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1 224998964 OVAUNVACKBDZOS-UHFFFAOYSA-N 353.874 6.052 0 40 FKAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2N)cc1 225177917 HWQJUISQGPUPRN-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB O=C(c1ccc2ccccc2c1)N1CCc2cc(-c3ccncc3)ccc21 225639518 VYEZRHHXWHPOOZ-UHFFFAOYSA-N 350.421 5.105 0 40 FKAB Cc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225840958 MYGIOTVGKUFXIK-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 227144663 KXORUAROMJUPBB-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CC(C)c1nc(COc2ccccc2)c(C(=O)O)cc1-c1ccccc1F 257251035 JPCUGWUQQWPHHE-UHFFFAOYSA-N 365.404 5.288 0 40 FKAB Cc1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 408586207 LWNZBRXHZIPFPO-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCCCc1ccccc1 409105657 JZPVAYXYCZOIQP-UHFFFAOYSA-N 365.546 5.250 0 40 FKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 672834 NSRWVFOKXXTZHL-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB O=C(c1ccc(F)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 704547 ZIODYYPGCIHDBM-UHFFFAOYSA-N 355.821 5.922 0 40 FKAB O[C@H](CCSc1ccc(Br)cc1)c1ccc(Cl)cc1 1404564 IJTYUZRDEWQICG-OAHLLOKOSA-N 357.700 5.318 0 40 FKAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)c1ccccc1 2151345 YPLIABLCDUNQCN-MRXNPFEDSA-N 370.404 5.110 0 40 FKAB biogenic CCCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCC2 2736831 XPGMTUGIDFWYCB-UHFFFAOYSA-N 372.490 5.228 0 40 FKAB Cc1ccsc1C(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 3289210 AAAYBAFMJKOAJK-UHFFFAOYSA-N 350.487 5.855 0 40 FKAB CC1(C)Cc2ccccc2C(/C=C2\NC3(CCCC3)Cc3ccccc32)=N1 4442140 MLQKNLCTOBULMJ-HAHDFKILSA-N 356.513 5.310 0 40 FKAB Cc1cc2nc(-c3cc(NC(=O)c4ccccc4C)ccc3O)oc2cc1C 4815466 CMWHCMQTPRSHGO-UHFFFAOYSA-N 372.424 5.378 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccccc1 5003307 XSQBDTWVOXBIIM-ISLYRVAYSA-N 374.443 5.709 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 5274720 XGDJYDADKWNDEC-PXAZEXFGSA-N 374.937 5.407 0 40 FKAB O=C(COc1cccc(F)c1)N1c2ccccc2Sc2ccccc21 5752637 UMTLCGFZCSEHDB-UHFFFAOYSA-N 351.402 5.034 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 5859955 OETUMMMKZQRUSF-UHFFFAOYSA-N 350.028 5.657 0 40 FKAB Cc1ccc(Cl)c(OCC(=O)c2cc(C)n(-c3nc(C)cs3)c2C)c1 6607093 VQKHEJFRMCVODT-UHFFFAOYSA-N 374.893 5.083 0 40 FKAB COc1c(N)cc(Oc2cccc(C(F)(F)F)c2)c2nc(C)cc(C)c12 8306540 YYCOHZGORSJICJ-UHFFFAOYSA-N 362.351 5.254 0 40 FKAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 9141136 FZNNREVYTLAFPC-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@H]1c1ccccc1 9484158 SLPWUVPSGPXIOR-FQEVSTJZSA-N 373.481 5.488 0 40 FKAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 12555147 KWQQDXYJANMVAP-FYYLOGMGSA-N 374.415 5.077 0 40 FKAB Cc1ccc([C@H](N[C@H](C)C(=O)c2c[nH]c3ccccc23)c2cccs2)cc1 12751757 AZEJPUFFFZCHBC-ZHRRBRCNSA-N 374.509 5.488 0 40 FKAB Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1cccnc1)O2 13036339 SLFHGNARAIBYKK-VQIMIIECSA-N 367.861 5.039 0 40 FKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cc(C)cc1C 14426346 ISEACLZZEIAUSU-VMPITWQZSA-N 374.278 5.035 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 15432009 BAQKBLJSSNKOEU-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB COc1ccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)cc1 18090769 GVYNODDEXGBITJ-VZCXRCSSSA-N 368.527 5.687 0 40 FKAB Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)cc1 19817311 DSFQAVADFOLDFK-INIZCTEOSA-N 373.481 5.012 0 40 FKAB Cc1ccccc1[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 20451839 IUFGRNCPTRPKOQ-RUZDIDTESA-N 373.496 5.403 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1Cl 20461455 SXMFNNJMYOTPBO-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB COc1cccc(C2=C[C@H](c3cccc(F)c3)n3c(nc4ccccc43)N2)c1 20754445 MTCYYFINEOFKPF-JOCHJYFZSA-N 371.415 5.240 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 22514855 YANVTWLOPQUUJX-LEWJYISDSA-N 353.506 5.364 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC(C)C)c1ccccc1 22514869 YANVTWLOPQUUJX-RTWAWAEBSA-N 353.506 5.364 0 40 FKAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1SCc1cscn1 32902036 NKIXBWLQTMRISM-UHFFFAOYSA-N 366.511 5.176 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccc(Cl)c1Cl)CC2 33502251 YPZREUAGMVGHIG-BENRWUELSA-N 370.235 5.727 0 40 FKAB COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 41005013 PXRTZWRQSBNHEW-UHFFFAOYSA-N 364.832 5.471 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc2cc(Br)ccc2o1 41007278 XUBCWKLSGZWDCG-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 58969863 YMHQUAXTLSWRGR-AWEZNQCLSA-N 361.869 5.186 0 40 FKAB CCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 100003924 TVAPGSSMRUFIFN-TYKWCNGQSA-N 364.529 6.932 0 40 FKAB Cc1cc(Nc2ccccc2)nc(S[C@@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)n1 100928521 IKASSMQQNILGOK-KLHJMIIUSA-N 367.518 5.015 0 40 FKAB O=C(c1ccc2[nH]ccc2c1)N1CCS[C@@H](c2ccccc2Cl)CC1 206995552 PMCXJXDVSVTNJU-LJQANCHMSA-N 370.905 5.142 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225261295 OPIZDCOTBJQBFM-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB Cc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1 226286239 VUJCLEWRXWZGJK-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]2[C@H]2[C@@H]4CC[C@@H]([C@H]5[C@H]4[C@@H]4CC[C@@H]5C4)[C@@H]12)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 245241168 YJUVCBGGFBYMBC-XYAGFMCTSA-N 362.557 5.048 0 40 FKAB CC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc1 409098964 NADHIKZNWZBYEZ-NDENLUEZSA-N 361.422 5.235 0 40 FKAB Clc1cccc(NCc2nnc(SCc3ccccc3Cl)o2)c1 786260 DVTXNCNNQOIMST-UHFFFAOYSA-N 366.273 5.281 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cccc2c(Br)cccc12 834919 HGKWMDOYMRHQQN-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB Cc1ccc(-c2csc3ncnc(NCCc4cccs4)c23)cc1 934494 XQKAKLIVYKKYQL-UHFFFAOYSA-N 351.500 5.383 0 40 FKAB Clc1cc(Cl)c2oc(C=C3CCCCC3)c(N3CCOCC3)c2c1 1244962 UAEFZFSGDALRML-UHFFFAOYSA-N 366.288 5.924 0 40 FKAB Cc1cc(O)c(Sc2c(O)cc(C)cc2C(C)(C)C)c(C(C)(C)C)c1 1689739 YBRGWVCIRXVYCO-UHFFFAOYSA-N 358.547 6.461 0 40 FKAB COc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)O1 1821729 OJJXHSBRILDWOC-NHCUHLMSSA-N 351.833 5.579 0 40 FKAB Cc1nn2c(N[C@H](C)c3ccccc3)c3c(nc2c1-c1ccccc1)CCC3 2198035 VJKFAKGBFTYLQZ-MRXNPFEDSA-N 368.484 5.367 0 40 FKAB O=C(CCc1ccc(CCC(=O)c2cccs2)s1)c1cccs1 2412309 DCONDLFUVWVUOB-UHFFFAOYSA-N 360.525 5.502 0 40 FKAB biogenic Cc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 2452770 OYOPIUZUWASCCD-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB COc1cccc(CSc2nnc(-c3ccccc3)c3ccccc23)c1 2651123 KVVBXOSEEQNLCL-UHFFFAOYSA-N 358.466 5.598 0 40 FKAB COc1ccccc1-n1cc(-c2ccc(Cl)c(Cl)c2)[nH]c1=S 3251908 AOJJQULYZWPHDD-UHFFFAOYSA-N 351.258 5.517 0 40 FKAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C 3254184 ZFFPVHIFRJCAEJ-OAHLLOKOSA-N 363.954 5.798 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1Oc1ccccc1 3317389 BMIYDHCVNFHDMP-UHFFFAOYSA-N 373.235 6.143 0 40 FKAB COc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(C(C)(C)C)c1 3330615 AWEVHAYRSDCGKY-UHFFFAOYSA-N 353.245 5.519 0 40 FKAB Cc1ccc(C)c(OC(=O)c2ccccc2OCc2ccccc2Cl)c1 3372303 PRDPCJLYHARGBI-UHFFFAOYSA-N 366.844 5.755 0 40 FKAB CCOc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 4331333 KLPPKVQUNLREPO-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB Cn1c(-c2ccc(F)cc2)cnc1NCc1c(Cl)cccc1Cl 4679289 VZBHVESOQKLZRX-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB Fc1ccc(C2=NN(c3ccccc3F)[C@H](c3ccc(Cl)cc3)C2)cc1 5008093 IOZMBQZSUDQJCD-NRFANRHFSA-N 368.814 5.974 0 40 FKAB O=C(NC1C2CC3CC(C2)CC1C3)c1cc2sc3ccccc3c2s1 5562160 MADXBRBDZQNSPZ-UHFFFAOYSA-N 367.539 5.671 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 6304884 PYRNJZSSTVDHDM-UHFFFAOYSA-N 372.877 5.260 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1OCc1ccccc1 8101806 PXAZVNPXBLQDLT-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 10338554 UXCMNBUCASLXQY-UHFFFAOYSA-N 363.545 5.398 0 40 FKAB CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13408365 MJCAQBZKCWIVPS-XIQUIRNFSA-N 374.565 5.353 0 40 FKAB biogenic O=C1C[C@H](c2cccc(Cl)c2)c2sc(Nc3ccccc3)nc2N1 15110021 NGRASRYJUNBQJH-CQSZACIVSA-N 355.850 5.014 0 40 FKAB CCCCCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 16638449 NAMSOJZIOYNNCB-UHFFFAOYSA-N 351.899 5.264 0 40 FKAB CC[C@H](c1cccc(OC(C)=O)c1)[C@@H](CC)c1cccc(OC(C)=O)c1 17108006 XGQBZMBPDNYTIL-SZPZYZBQSA-N 354.446 5.225 0 40 FKAB O=C1C[C@H](c2ccco2)Cc2nc(Nc3ccc(Cl)cc3Cl)ncc21 17207406 KDSHBKBHQROHBD-SNVBAGLBSA-N 374.227 5.033 0 40 FKAB Oc1nc(SCc2cccc(Cl)c2)nc2c(-c3ccccc3)c[nH]c12 21883827 PEGJIGRPIMYAHL-UHFFFAOYSA-N 367.861 5.276 0 40 FKAB COc1cccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)c1 27663937 PWLDWFORXZXIRT-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB Cc1cc(OCc2ccc(C(=O)OCc3ccc(F)cc3)o2)ccc1Cl 28577922 RPCDOPORDYGTND-UHFFFAOYSA-N 374.795 5.317 0 40 FKAB Cc1coc2c1c1c(c3oc(=O)cc(-c4ccccc4)c32)CCC(C)(C)O1 30822735 HAPAQOLKEBGGFA-UHFFFAOYSA-N 360.409 5.618 0 40 FKAB CC(C)CC[C@@H](CCN[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 32094430 XFVIWMOPUHYFLJ-AZUAARDMSA-N 351.962 5.797 0 40 FKAB Cc1c(C)c(C)c2c(c1C)[C@H]1C=C[C@@H]2C1=C(c1ccccc1)c1ccccc1 71782704 WYQMNPVJLIUOAZ-PSWAGMNNSA-N 362.516 7.173 0 40 FKAB COc1ccc(O[C@H](C(=O)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 80344454 LDBBEFHOMGLLJO-QFIPXVFZSA-N 361.441 5.071 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccccc1Cl 96117485 TVHCPEGXRRWVEA-MRXNPFEDSA-N 359.256 5.282 0 40 FKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OC 106956573 SIHCLKUHRFQIIG-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 216382410 HKTYBQHMGPKJOX-AWEZNQCLSA-N 351.368 5.037 0 40 FKAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253617170 BESWZNZZPZNJEO-CXHRZIGFSA-N 358.566 6.312 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 408628834 CQERFIMWGLGXFE-LJQANCHMSA-N 370.496 5.985 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 849002 MGFXYIRDYGJOPB-UHFFFAOYSA-N 372.424 5.534 0 40 FKAB Cc1ccc2c(-c3oc4ccc(Br)cc4c3C)cc(=O)oc2c1 1448139 SKFQGSABPZTIMJ-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1547954 PFENGSAGDUVSIA-UHFFFAOYSA-N 359.469 5.815 0 40 FKAB CC(C)CCSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2266096 DKYDEPSOBDLELR-UHFFFAOYSA-N 368.571 6.375 0 40 FKAB CCc1ccccc1/N=c1\ssc2c1-c1cccc(C)c1NC2(C)C 2276804 BKAFLBOJNRORNF-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB Clc1cc(Cl)c(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1 2569345 YFSLABAYQDPWPF-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cc(C)ccc2C)c1 3061675 SLVMTLZNDLLBSW-QHCPKHFHSA-N 369.508 5.865 0 40 FKAB O=C(CCC1CCCCC1)Nc1ccc(-c2nc3cccnc3s2)cc1 4063017 CFLMVJAPRWAQKZ-UHFFFAOYSA-N 365.502 5.657 0 40 FKAB c1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc32)cc1 4864578 IGKGFXGJNHJUAE-UHFFFAOYSA-N 362.483 5.027 0 40 FKAB C[C@H](c1ccccc1)N(C(=O)c1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 5488015 WXCZQBUQQLWSLH-SJLPKXTDSA-N 371.908 5.501 0 40 FKAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)S1 6004737 ABCRPRBTFLEVML-LLVKDONJSA-N 363.845 5.009 0 40 FKAB COc1ccc(CSc2nnc(Nc3cccc(C)c3)s2)cc1F 6057664 ANGMFEUVPQBNBY-UHFFFAOYSA-N 361.467 5.030 0 40 FKAB CCCCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 6752619 RHLSKRXBSXBAKA-HNNXBMFYSA-N 367.880 5.010 0 40 FKAB CC[C@H](C)c1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 7193953 FLTRAYPXJRVSJZ-LBPRGKRZSA-N 356.447 5.127 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)CC2 7511523 PYDPYYKEZHJPLQ-UHFFFAOYSA-N 367.901 5.713 0 40 FKAB Clc1ccc(COc2cccc(CNC3CCCCCCC3)c2)cc1 7523330 XPCVHEGHDASHNT-UHFFFAOYSA-N 357.925 6.122 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 8041554 UGPFVUKCJLWLPH-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3)ccc2o1 9659972 CGCUVUJXTGPSOS-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB biogenic Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3o2)c1 9659973 CAHNODVKNTYQII-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB biogenic Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3C)cc(=O)c2c1 9660023 AXAIJSSJHKRFRC-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB biogenic Cc1nc(N[C@@H](C)c2ccccc2Cl)c2c3c(sc2n1)C[C@@H](C)CC3 13057284 MSJPETBQYNLPPF-RYUDHWBXSA-N 371.937 5.951 0 40 FKAB CCCCCCOc1ccccc1CNc1cccc(OCCCC)c1 19738348 BSMNTDOQDMRFPT-UHFFFAOYSA-N 355.522 6.437 0 40 FKAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1 30116449 OWFXWHYPFVVEMV-SECBINFHSA-N 362.178 5.503 0 40 FKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N(Cc1cccs1)C1CC1 30841238 XFNUFFYVMQZRLS-UHFFFAOYSA-N 374.918 5.330 0 40 FKAB Cc1cc(C)c(NC(=O)CSCCOc2ccc(Cl)cc2)c(C)c1 31730106 ZJIRQRFHGOKNSJ-UHFFFAOYSA-N 363.910 5.016 0 40 FKAB O=C(Nc1cccc(Cl)c1)N1CCc2sccc2[C@@H]1c1ccccc1 40002652 ODIWUAJHGJGDFG-IBGZPJMESA-N 368.889 5.581 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 44849231 DULXOMHJTHBDDX-CQSZACIVSA-N 366.288 5.002 0 40 FKAB Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1-n1cnnc1 45920559 ULTHOZGOVKXOSF-UHFFFAOYSA-N 352.397 5.051 0 40 FKAB Clc1ccc([C@H](Sc2nnc(-c3ccc[nH]3)o2)c2ccccc2)cc1 48234474 XAAYJGSMUGTPNF-QGZVFWFLSA-N 367.861 5.600 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 71760574 GOQWLWPPRMUSNM-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)c1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1 73639721 UNYIZXNKPCOBGO-UHFFFAOYSA-N 358.279 6.504 0 40 FKAB Cc1ccc(C2C[C@@H]3CC[C@@H](C2)N3C(=O)c2csc3c2CCCC3)cc1 100476126 VWSOAYQTKAJFTD-OALUTQOASA-N 365.542 5.486 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cccc1C(C)C 222921824 KWRSMAUJLSUGPL-OAQYLSRUSA-N 367.533 6.212 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223106902 GJUHJIBUGJAGOF-DHIUTWEWSA-N 365.517 5.299 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 223211882 VFOWMDRKWNUMSF-AWEZNQCLSA-N 365.395 5.543 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccccc1 225603404 XBOWDRHVDAGLQU-UHFFFAOYSA-N 367.851 5.251 0 40 FKAB CC(C)(C)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 226342698 DKGMLBVZSYOXNU-UHFFFAOYSA-N 363.686 5.943 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 243165516 JRTXSEJMDPFUOZ-UHFFFAOYSA-N 361.441 5.585 0 40 FKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409106429 NEHMVAAIRSVGCK-ODLFYWEKSA-N 367.857 5.994 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)cc1 409135609 QNILVXIRYZBOBG-OBGWFSINSA-N 355.481 6.303 0 40 FKAB c1ccc(-c2ccccc2Nc2ccc3sc4ccccc4c3c2)cc1 1857794003 QYGCNAPUMMSDAL-UHFFFAOYSA-N 351.474 7.465 0 40 FKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4cccs4)c3)nc2c1 693027 JRZUETATZWRLGT-UHFFFAOYSA-N 362.454 5.354 0 40 FKAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1Cl 1453231 FJMWBFRYLONQCG-UHFFFAOYSA-N 363.269 5.293 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C)c3C)c2c1 2073170 MIIKWEHENYDMQF-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(F)cc3)n2)cc1C 2733442 TVYVNQUZVQUJOU-UHFFFAOYSA-N 370.471 6.579 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 2739779 NHUSCDKTLHQMJY-BUHFOSPRSA-N 370.477 5.924 0 40 FKAB Clc1ccc(Cl)c(OCCOc2cc(Cl)ccc2Cl)c1 3128858 DRBJWRJSHCMRCV-UHFFFAOYSA-N 352.044 5.758 0 40 FKAB C(=C1\CCC[C@@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1)\c1ccccc1 3905127 ZOJBDGHYJINECO-OTFGQMRCSA-N 364.492 6.488 0 40 FKAB Cc1ccc([C@H]2CN(c3ccccc3)C[C@@H]2C(=O)c2ccc(F)cc2)cc1 4053072 QZYGLNHINUUFHC-PKTZIBPZSA-N 359.444 5.237 0 40 FKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)s1 4733537 RDPCWTPEJBEWIT-UHFFFAOYSA-N 374.296 6.422 0 40 FKAB COc1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1 4761270 RTQDJRJLNAHELN-UHFFFAOYSA-N 363.482 5.418 0 40 FKAB Cc1ccc(Cl)cc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 5021700 TYTWZKAJUFVGRP-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB CC1(C)C2=CC[C@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@@]2(C)Cc2cnoc21 5231765 AXLOCHLTNQDFFS-MNNTVLDYSA-N 355.522 5.038 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(Cl)cc1Cl 6053550 UIWCEAWCFCXLII-UHFFFAOYSA-N 352.305 5.216 0 40 FKAB Cc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)c(C)c1 6472935 LYKBDGBHSUBBBY-UHFFFAOYSA-N 369.534 5.145 0 40 FKAB CCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C)cc2)cs1 6826702 PKGGDCBQPZHTTI-UHFFFAOYSA-N 367.474 5.186 0 40 FKAB CCc1ccc2oc(-c3cc(NC(=O)C(F)(F)F)ccc3Cl)nc2c1 8053914 XQZRRNAKTOMDJL-UHFFFAOYSA-N 368.742 5.211 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(C)cccc3C)o2)cc1Cl 16362208 XXLQCLLJWZPTPV-ZRDIBKRKSA-N 365.860 6.177 0 40 FKAB C[C@@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1 16576989 SMBOJCBQZICUNY-MRXNPFEDSA-N 370.408 5.322 0 40 FKAB COc1ccccc1Oc1ccc(NC(=S)NC2CCCCC2)cc1 17460721 DGNNVPJJDJOMHY-UHFFFAOYSA-N 356.491 5.107 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 30856095 RSEONDDEHYSCIL-IRXDYDNUSA-N 369.505 5.028 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 38754148 VPINTKQKBGMROJ-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB Cc1csc(N(C(=O)[C@@H](C)SCc2ccccc2)c2ccccc2)n1 40140449 DTVOLVIBRUENHZ-MRXNPFEDSA-N 368.527 5.438 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)cc1 40216793 FIBCQMMYROOYAH-UHFFFAOYSA-N 372.472 5.464 0 40 FKAB O=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc3ccccc23)[nH]n1 44838191 LJSYARPLNYHZJW-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC(c1ccccc1)c1ccccc1 44885095 NTOXQVYJLWPKTR-QFIPXVFZSA-N 373.496 5.367 0 40 FKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)c(F)c1 96037350 KZHAPKJCRXUYJX-UHFFFAOYSA-N 363.436 5.414 0 40 FKAB CCCC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 107740543 OIMWOBWNQHJGSE-UHFFFAOYSA-N 356.263 5.435 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219301572 VWNWLEGAVWUUNU-GOSISDBHSA-N 367.489 5.339 0 40 FKAB O=C(NCc1cccc2ccccc12)/C(=C/c1ccccc1)c1ccccc1 222829772 IYSVVOGIMPENOO-XIEYBQDHSA-N 363.460 5.697 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCCCC1 225712151 MINUVAJOZDAJQQ-UHFFFAOYSA-N 361.526 5.406 0 40 FKAB O=C(COCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360444 DJBUOJMBSULOEA-UHFFFAOYSA-N 362.269 5.124 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 1775975287 GNYBOVGEGSJLCP-ZYHUDNBSSA-N 366.260 5.531 0 40 FKAB CCc1ccc2nc(-c3ccc(-c4ccccc4F)o3)cc(C(=O)O)c2c1 934742 PEJFHWQZLYCTHH-UHFFFAOYSA-N 361.372 5.562 0 40 FKAB COc1ccccc1[C@H](Nc1cccc(C)n1)c1c(C)[nH]c2ccccc12 1281091 JSDTZFUVHPRMHN-QHCPKHFHSA-N 357.457 5.390 0 40 FKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3cccc(F)c3)c1-2 2230159 BLDKLYDXOZJWFB-UZYVYHOESA-N 356.491 5.817 0 40 FKAB CCC[C@@H]1C[C@@H](c2nc(-c3ccc(Br)cc3)cs2)CCO1 2230372 LKRYDJIMQIOOJR-DZGCQCFKSA-N 366.324 5.635 0 40 FKAB O=C(Nc1ccc(Br)cc1)[C@@H](c1ccccc1)C1CCCC1 2362418 GSZRAYNOEMGJBK-SFHVURJKSA-N 358.279 5.362 0 40 FKAB CC[C@@H](C)c1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 2427720 KGTRBJVSNCWKNI-MRXNPFEDSA-N 355.441 5.998 0 40 FKAB COc1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 2753042 LREUKUQIFUYBGJ-UHFFFAOYSA-N 373.408 5.273 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 3050774 HYXBWTYBGILTAZ-GOSISDBHSA-N 366.505 5.508 0 40 FKAB Cc1ccc(Cl)cc1Nc1ncnc2sc(-c3ccccc3)cc12 3288819 NOSZOVRLBPDQCU-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB CCOc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1OCC 3376169 HVLBXKUCFDWCKZ-UHFFFAOYSA-N 369.244 5.148 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 3897709 ISQJPMWTQAGIBW-UHFFFAOYSA-N 354.475 5.426 0 40 FKAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 4602090 IZTKOTRQGYLJDE-ZROIWOOFSA-N 374.179 5.191 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1Oc1ccccc1 4680231 AAGKRZYIRBDBHM-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 4910693 BSCWFZMESQLVPW-MRXNPFEDSA-N 371.452 5.112 0 40 FKAB O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)n(-c2ccccc2)n1 5648038 HFEDCVRDNBASFP-UHFFFAOYSA-N 356.381 5.030 0 40 FKAB O=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccccc1 5672789 KBTMAIFMVBSFOH-UHFFFAOYSA-N 360.438 5.334 0 40 FKAB COc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6570932 LZQTZOLKGRQQQG-HXUWFJFHSA-N 351.496 6.115 0 40 FKAB aggregator C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 8224125 KNEVGXMNVNSECM-SECBINFHSA-N 360.693 5.766 0 40 FKAB C[C@@]1(c2ccncc2)NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 12549178 BCABKZMHHNPTOY-MBSDFSHPSA-N 373.887 5.215 0 40 FKAB C[C@H]1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 13510232 CTWBZPZGQUGJLG-VEXUSMLFSA-N 368.500 5.051 0 40 FKAB O=C(COc1ccc(Cl)cc1)Nc1ccc2oc3ccccc3c2c1 15326485 XHOFNRWBJQGEPY-UHFFFAOYSA-N 351.789 5.257 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c(F)c1 16181645 BQLLUQKBEOOPLH-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB Cc1cccc(-c2nn(Cc3ccccc3)c(-c3cccc(C)c3)c2Cl)c1 17076377 XWYQQBQVMMXWFE-UHFFFAOYSA-N 372.899 6.536 0 40 FKAB Cc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 19933422 NUWFGMMXFWYKFW-RUZDIDTESA-N 373.496 5.368 0 40 FKAB COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4C)cc3)nc2c1 20100677 PXEKFUONYOMQRE-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 20112152 LGFFAKOBETUFFM-KRWDZBQOSA-N 361.441 5.447 0 40 FKAB CCCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 23055387 ULCHIKSUUHNTLA-HNNXBMFYSA-N 362.473 5.334 0 40 FKAB CCc1cccc2c(C3=CCN(C(=O)Nc4ccc(F)cc4)CC3)c[nH]c12 24691515 DMAOQUDWKDFVIT-UHFFFAOYSA-N 363.436 5.191 0 40 FKAB Cc1ccc(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)s1 32593434 VWJMCNFLCMEBMB-UHFFFAOYSA-N 357.504 5.125 0 40 FKAB CCOc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1 33027710 MCDZOFJESCNGJU-UHFFFAOYSA-N 363.457 5.533 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 40913187 KCUSIXNFDFHWGJ-HNNXBMFYSA-N 359.897 5.488 0 40 FKAB COc1cc(Br)c2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 45920292 WNTZFXSAWQYSGB-UHFFFAOYSA-N 373.033 5.573 0 40 FKAB Cc1ccsc1-c1nn2c(-c3cccc(Cl)c3Cl)nnc2s1 66087699 RRTDVPZSYABOBK-UHFFFAOYSA-N 367.286 5.197 0 40 FKAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106683550 LJIHGGUYEDOHEW-BOPFTXTBSA-N 357.862 5.139 0 40 FKAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)cc1C 219131118 JAZPYYFAJJDCKS-RUZDIDTESA-N 371.524 6.093 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219331850 KBOKODJQVZUUDB-FGZHOGPDSA-N 353.506 5.345 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)c(OC)c1 219658244 JBXXAULSRYYGEQ-QGZVFWFLSA-N 373.518 5.085 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 222848877 XKTVNHAPWJWTFS-JKSUJKDBSA-N 373.924 5.591 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224294913 OQBFCCHXTNCMTR-INIZCTEOSA-N 359.425 5.609 0 40 FKAB CCOCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC 224695574 LKRBEYOGIVFHHH-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547270 WRIWESAIBLNXDW-UHFFFAOYSA-N 369.480 5.845 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(F)c(F)c2)c2ccccc2)c1 225699886 WQMFCCHSPSZEJD-HXUWFJFHSA-N 368.452 5.349 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1C 225706815 BCDCNOQLPPBINF-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225804215 JWZCPLKMONGNLN-MRXNPFEDSA-N 351.490 5.096 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248339525 SZKXDQCXMWPTMG-YJPCQTTLSA-N 361.485 5.387 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)c1 257240242 HSRNBOXURNAWIO-RUZDIDTESA-N 372.464 5.687 0 40 FKAB Cc1ccc(SCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 409028121 HNSBGFAUELACPI-NTEUORMPSA-N 353.531 5.214 0 40 FKAB CCCC(CCC)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358992 LWEMZFQHCXOPID-UHFFFAOYSA-N 371.524 7.556 0 40 FKAB CC[C@H](C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1 575619317 JMMFTXLXYPTKSP-SFHVURJKSA-N 359.473 5.019 0 40 FKAB CCCc1nc(Cc2ccc(F)cc2)c(C(=O)O)cc1-c1ccccc1F 585265353 MPWCJJLONBATIA-UHFFFAOYSA-N 367.395 5.268 0 40 FKAB Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(Cl)c(Cl)c3)c2n1 1390057 NAUKZNQMQXXBJM-UHFFFAOYSA-N 371.271 5.194 0 40 FKAB CN(c1ccccc1)c1c2c(oc(=O)c1Cl)-c1ccccc1SC2 1567846 KGAUKJSZFJVOJT-UHFFFAOYSA-N 355.846 5.334 0 40 FKAB Cc1ccc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1 2180691 FVHFSFUGCSOMSI-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB Cc1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2254118 OBMQBAXJJBNFKV-UHFFFAOYSA-N 350.425 5.003 0 40 FKAB Cc1ccc(C(/C(Cl)=C(\Cl)C(=O)O)c2ccc(C)cc2C)c(C)c1 2570496 NBVVLWUGWWMCQV-VHEBQXMUSA-N 363.284 5.826 0 40 FKAB c1ccc(-c2c(-c3ccccc3)c3ccccn3c2CN2CCCCC2)cc1 2708194 BZJDACGXIVQWMO-UHFFFAOYSA-N 366.508 6.259 0 40 FKAB Cc1cc(C)cc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)c1 3063664 KUUQRXXAPCLYQQ-UHFFFAOYSA-N 362.860 5.602 0 40 FKAB Fc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)c(Cl)c1 3428702 XZEQXYUGEDPXHU-UHFFFAOYSA-N 351.768 5.277 0 40 FKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)s1 4479419 VLMZHQQBVKQEON-UHFFFAOYSA-N 374.636 5.011 0 40 FKAB CCCN(C(=O)CC(C)(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880830 UTYGDIUZBXHDLM-UHFFFAOYSA-N 373.566 5.682 0 40 FKAB COc1cccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 6174697 NCPJHEDFFVNHTE-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 6607543 POSQCILRCSZQPV-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB COc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2C)cc1 6608830 IVBIETBXRSKZNT-UHFFFAOYSA-N 372.468 5.023 0 40 FKAB CCCOc1cccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)c1 9431927 GLBYAGZDEZAMHK-UHFFFAOYSA-N 363.457 5.219 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C 10009781 QEAPNGDHBCQKCU-UHFFFAOYSA-N 361.510 5.777 0 40 FKAB Cc1ccccc1-c1cc(-c2cccs2)c2c3c(sc2n1)CCCC3 12739445 XVJYWEXBQOWJAY-UHFFFAOYSA-N 361.535 6.879 0 40 FKAB Cc1cccc(C)c1NC(=O)CSCc1cccc(C(F)(F)F)c1 13012726 CZRDUWUHSWBIIK-UHFFFAOYSA-N 353.409 5.194 0 40 FKAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1cccc2ccccc12 14132150 UUZVNKYLZTUFJD-XDHOZWIPSA-N 363.413 5.215 0 40 FKAB Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)cc3)c2Cl)cc1 17076375 LPQIRDNSOXAPGE-UHFFFAOYSA-N 372.899 6.536 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 20452103 RFHDYLORNUPXCU-AWEZNQCLSA-N 357.759 5.155 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 27662238 DHOBSNNYPFRSLN-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB Cc1nc(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cs1 32772492 WRJAZISCXAADRA-FQEVSTJZSA-N 370.543 5.085 0 40 FKAB Cc1ccc(-n2nnc(-c3nc(-c4cccc(Cl)c4)cs3)c2C)cc1 38651789 SBGOJDDIPLRNBQ-UHFFFAOYSA-N 366.877 5.328 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 52660278 FWKBRSXSUZNNEH-CABCVRRESA-N 364.411 5.000 0 40 FKAB Cc1cc(Br)c2oc(-c3cccc4c(Cl)cccc34)nc2c1 73639158 RBBOZSAQHTWKJJ-UHFFFAOYSA-N 372.649 6.372 0 40 FKAB C[C@H](NCC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100745533 RWXOIELWFZDPDK-OYDLWJJNSA-N 365.561 5.791 0 40 FKAB biogenic CC1(C)CC2=Nc3onc(C(C)(C)C)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 102736026 XUFFZNMCCMSJLU-MRXNPFEDSA-N 366.461 5.528 0 40 FKAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 219481080 PHKIVVGWCXJHKL-QGZVFWFLSA-N 363.482 5.385 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223029919 LBIHEVLAOLVBKY-KRWDZBQOSA-N 363.910 5.557 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 224274982 YCOCRMXNAGBKAA-UHFFFAOYSA-N 355.359 5.302 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2O1 224422429 BTYWIRDIGUAOSH-KRWDZBQOSA-N 361.844 5.292 0 40 FKAB COc1cc(C)c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C(C)C 225666338 LINZFYBWBXXDPJ-IBGZPJMESA-N 367.489 5.159 0 40 FKAB O=C(O)c1cccc(NCc2cccc(OCc3cccc(Cl)c3)c2)c1 408608429 LNRGPCFCPCIPIB-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB CCCc1sc(=Nc2ccccc2OCC)[nH]c1-c1ccc(OC)cc1 408757506 YQFAIWYNFQNJHT-UHFFFAOYSA-N 368.502 5.335 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccccc2Cl)cc1 409111479 IXVRMVMTWYGKMU-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C(O)C/C(=C\c1cnc(-c2ccco2)s1)c1nc2ccccc2s1 577299278 UCFWROATTLCBLP-DHZHZOJOSA-N 368.439 5.028 0 40 FKAB CC(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@H]2[C@@H]1c1cccs1 701959 GAMINHVCFGHOCG-QNBRHKHMSA-N 356.516 5.199 0 40 FKAB CC[C@H](C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)o2)cc1 934715 HUYAFORNPXEXGE-HNNXBMFYSA-N 371.436 6.374 0 40 FKAB COc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 2713905 QSVVOPDRPJJULI-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB O=C(O)[C@@H](Sc1nc2ccccc2nc1-c1ccccc1)c1ccccc1 3066261 JVNHEGSKJXOCDW-FQEVSTJZSA-N 372.449 5.215 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CN(C)C3CCCCC3)ccc21 3283522 YCHVNUBEDBEUOD-UHFFFAOYSA-N 363.505 5.017 0 40 FKAB CSCc1c(C(=O)Nc2nc3ccc(C)cc3s2)oc2ccccc12 3402681 HQEWWSGIINPKDK-UHFFFAOYSA-N 368.483 5.466 0 40 FKAB FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccc(Cl)cc2)n1 3894535 OIEOWSSHDYBEKX-UHFFFAOYSA-N 353.731 5.021 0 40 FKAB Cc1ccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)cc1 3912925 AWEDCRUSFCGMIP-XNTDXEJSSA-N 356.400 5.004 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4023204 GFPXAFZFUGVACR-FPIWTNIKSA-N 357.494 5.269 0 40 FKAB CCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 5063936 FJYCLZQOPVCUGH-UHFFFAOYSA-N 371.575 6.134 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 6946476 XQTRCQAYINNVKA-UHFFFAOYSA-N 359.425 5.389 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)C1(c2ccc(Cl)cc2)CCC1 7985910 LSRCDAYWKBGRJN-UHFFFAOYSA-N 368.889 5.524 0 40 FKAB c1ccc2sc(CN3CCCC[C@H]3c3nc4ccccc4s3)nc2c1 8004872 FIHBWSKHTKCXGU-INIZCTEOSA-N 365.527 5.633 0 40 FKAB CCOCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 8253213 LWWNNZICEJFDPZ-UHFFFAOYSA-N 368.304 5.089 0 40 FKAB Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1Cc1ccco1 8297591 HKXBTQSHPUAWIG-UHFFFAOYSA-N 350.443 5.242 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 8335564 OQIKVKZMUZKORP-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB Cc1cc(OC(=O)C2CCCCC2)c2c(-c3ccccc3)cc(=O)oc2c1 11866523 XUGKEMONFLQTQY-UHFFFAOYSA-N 362.425 5.254 0 40 FKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)nc2c1 14257954 XRHAMUHAYXPJQS-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cc(Br)ccc1Cl 14493080 DBILKOACOSJPAE-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(F)c1F 16221244 UNRRFJKJSKHGHE-UHFFFAOYSA-N 351.180 5.220 0 40 FKAB COc1ccc([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 20043122 JVTIIZXELNHDKM-GOSISDBHSA-N 359.469 5.095 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@]1(CCC[C@H](C)C1)O3 25108433 JXNJBNZHPPYGOK-LFVRLGFBSA-N 368.473 5.358 0 40 FKAB CC[C@H](C)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 27338187 GKNBORHMDAMPLK-NSHDSACASA-N 360.504 5.018 0 40 FKAB CC(C)c1ncc(CN[C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cn1 57774216 FWWIJUZGOPAXGF-PLACYPQZSA-N 369.940 5.315 0 40 FKAB CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)C3CCCCCCC3)c12 95393342 QUDHYFQIDIDCTP-UHFFFAOYSA-N 369.509 5.409 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 216333444 PFVYOLKCFLIRAC-GOSISDBHSA-N 374.267 5.943 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)c1ccccc1 219312514 JTXJVCMDUOJXAU-NRFANRHFSA-N 373.452 5.022 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2cccc(C)c2)cc1 222744201 IMGSOANUTMBJSD-NRFANRHFSA-N 371.546 5.140 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2ccccc2c1 222788624 KGZQGTJDOVGWBB-KRWDZBQOSA-N 355.437 5.077 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 222935273 UDWQWOWKUQONHI-QRWLVFNGSA-N 357.469 5.158 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 223554990 QIVSFFKNMJXBSM-GOSISDBHSA-N 372.468 5.047 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 224429638 BEYJGHYVTQEAMT-PMACEKPBSA-N 369.505 5.045 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCCC2)cc(C)c1OC(C)C 225535534 YWYAYRDZCHYNCS-UHFFFAOYSA-N 365.517 5.931 0 40 FKAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(C)c1OCc1ccccc1 225591535 FUSJBPRBTZAWSD-UHFFFAOYSA-N 372.679 5.191 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3cccc(-c4ccc(C(=O)O)cc4)c3O2)c1 257230536 GCTMLZKWMBXQGZ-VWLOTQADSA-N 372.464 5.687 0 40 FKAB O=C(Nc1ccc(Br)cc1)/C(=C/c1ccco1)c1ccccc1 409186279 ZXCFWPLXVCTQJS-QGOAFFKASA-N 368.230 5.221 0 40 FKAB C[C@H](C(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2ccccc2)c(F)c1 632975 LBUMKHQTDMIDBX-ZDUSSCGKSA-N 355.359 5.513 0 40 FKAB CCOc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 682277 ZHACXOYEAQBXJQ-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB O=c1oc2ccc(Cl)cc2cc1-c1nc2c(s1)CCc1ccccc1-2 813044 NLJIPDJFWAYQDY-UHFFFAOYSA-N 365.841 5.336 0 40 FKAB C(=C/c1ccccc1-c1ccccc1/C=C/c1ccccc1)\c1ccccc1 2077606 PCAXIJLIFCFMMQ-FLFKKZLDSA-N 358.484 7.694 0 40 FKAB C[C@H](C(=O)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 2183239 QFCZXJGOLXZIMO-AWEZNQCLSA-N 353.824 5.888 0 40 FKAB C1=C(c2ccccc2)n2c3c(c4ccccc42)CCC[C@H]3[C@@H]1c1ccccc1 2258805 VYGMBWDXVZDEIU-ZEQRLZLVSA-N 361.488 6.748 0 40 FKAB Cc1ccc(C)c(SCc2nc3ccccc3c(=O)n2-c2ccccc2)c1 3050363 WSZRFTDRUIGSSH-UHFFFAOYSA-N 372.493 5.295 0 40 FKAB Clc1ccc(Cc2ccc(SCc3ccccc3)nn2)c(Cl)c1 3052148 QZHKYIPHKSWBHH-UHFFFAOYSA-N 361.297 5.667 0 40 FKAB Brc1cc(Br)c2nc3c(cc2c1)CCCCC3 4051020 ZIURRAQTWCLYBE-UHFFFAOYSA-N 355.073 5.029 0 40 FKAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1cn(C)c2ccccc12 4747631 RVMCBERPEPPCCZ-XDHUDOTRSA-N 370.496 5.693 0 40 FKAB C[C@H]1[C@]2(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2O[C@]12CC[C@@H](C)CO2 5275373 RCUTXCNUFHNHOK-RQKBNANZSA-N 374.565 5.078 0 40 FKAB COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@]2(C)CC1 5370350 OKMHWOWJDRPCCT-ZXOAXIBNSA-N 356.506 5.165 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2)n1 5676334 LPBCRHYFZAJASI-UHFFFAOYSA-N 367.619 5.198 0 40 FKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 6554872 DGPJQJFRYHYOIJ-LLVKDONJSA-N 360.866 5.379 0 40 FKAB c1ccc(COc2ccc3ccccc3c2CNC2CCCCCCC2)cc1 7522639 YPKIGWLDTKUAMS-UHFFFAOYSA-N 373.540 6.621 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2Cl)cc1 7699617 YGMNUQDFRQRNIX-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)oc2C)no1 8021189 JVZJAPVLFIRXTA-UHFFFAOYSA-N 351.189 5.111 0 40 FKAB Cc1ccc(NC(=O)CSc2cc(C)ccc2C)c(Br)c1 8075306 QTZHLWCJPIKUJL-UHFFFAOYSA-N 364.308 5.105 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 8335574 WTSSGDYGOKWIKJ-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(F)c(Cl)c1 12923449 LYBRSTTZYGPLPD-OANVXVOSSA-N 374.868 5.322 0 40 FKAB Cn1cc([C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)c2ccccc21 13942383 LKCDZTVHFHBFPT-HSZRJFAPSA-N 370.427 5.063 0 40 FKAB Fc1ccc(-c2nn(C3CCCC3)c(-c3ccc(F)cc3)c2Cl)cc1 17074040 UHFUJHINSCGAQN-UHFFFAOYSA-N 358.819 6.264 0 40 FKAB COc1ccc(CCNc2ccccc2OCCCc2ccccc2)cc1 19738453 BIPHHNNLDVFMKH-UHFFFAOYSA-N 361.485 5.361 0 40 FKAB O=C(Nc1cc(-c2ccccc2)no1)c1sc2ccccc2c1Cl 27793936 MYRPVVVSYCULJA-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB C[C@@H](c1nc2ccccc2n1CCCc1ccccc1)N1CCCCCC1 39917297 JAKZSFLGYABANO-FQEVSTJZSA-N 361.533 5.606 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(F)cc(F)cc23)cc1OCC 65090608 MXSWOIXXDNCJOX-UHFFFAOYSA-N 358.388 5.362 0 40 FKAB Fc1ccc(Cl)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760880 QETGWHQJDVMANF-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 71844346 FJJMINORVUDZFY-WIYYLYMNSA-N 357.444 5.082 0 40 FKAB COc1ccc2ccccc2c1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C 72276801 SYUYHRHFZWIBJJ-JOCHJYFZSA-N 359.473 5.212 0 40 FKAB CC(C)c1ccc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 72390152 DBMWDEYUQLZKFJ-IBGZPJMESA-N 367.518 5.649 0 40 FKAB Cc1c(-c2nnc3sc(-c4cc5ccccc5o4)nn23)oc2ccccc12 96194400 ZDXWJJVSMZSQIN-UHFFFAOYSA-N 372.409 5.321 0 40 FKAB CCC(=O)Nc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccccc12 100653771 LXWJQQJKQRZXNG-UHFFFAOYSA-N 367.788 5.208 0 40 FKAB biogenic CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 106681941 PYKADICYTZKAFX-JPVKTXQWSA-N 367.470 5.100 0 40 FKAB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169700680 RZCHUWOWWZKPOH-GILFWBMKSA-N 374.528 5.465 0 40 FKAB CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216895781 TWRPIKHUTYGYNM-VQHVLOKHSA-N 351.229 5.149 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CCCSc1ccc(Cl)cc1 222687073 TYUWKDUNCVRMKH-UHFFFAOYSA-N 361.938 6.283 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc2ccccc12 222892758 NFKIRQFWMBEECQ-OAQYLSRUSA-N 367.876 5.275 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(Br)c1 225366971 GHZBNZVAVVOENJ-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 225660532 FOLNDFIAAUHBHY-AUUYWEPGSA-N 361.938 5.651 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769934 UYOPDNFQPOFFRR-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1cccc(NCc2ccc(-c3ccc(Br)cc3)o2)c1C 226239873 ZDDYAXFKCRRWMU-UHFFFAOYSA-N 356.263 5.938 0 40 FKAB O=C1[C@H]2CCCC[C@H]1[C@@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 226760461 OFAKSWDVJNOYBN-VNTMZGSJSA-N 374.311 5.755 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1Cl 408604127 SSYDQPZLFJVFPB-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)o1 409206372 NMGVQZKNYMESOX-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccccc1Br 575620397 KIAZHGMMVYLINF-GFCCVEGCSA-N 374.303 5.025 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(C)C 636734 GZVALEJZLAHRPW-UHFFFAOYSA-N 354.837 5.679 0 40 FKAB Cc1cccc(N2C(=O)CS[C@H]2c2ccc(Oc3ccccc3)cc2)c1 1088754 LPOTVVZVUBSTAA-QFIPXVFZSA-N 361.466 5.566 0 40 FKAB Oc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 1224418 NRLMUFNGQFLXER-UHFFFAOYSA-N 353.230 5.041 0 40 FKAB CCCc1nc(SCC(=O)c2ccccc2F)c2c(C)c(C)sc2n1 1372208 TVYFHUZIPCUJKJ-UHFFFAOYSA-N 374.506 5.375 0 40 FKAB COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 1392297 SFOQOXFLYOFWOD-UHFFFAOYSA-N 364.150 5.273 0 40 FKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccc(F)cc3)c2cc1C 1397546 CYUPEHJJMLECFR-UHFFFAOYSA-N 365.839 5.556 0 40 FKAB CC(=O)O[C@]1(C)C(=C(Cl)Cl)C2c3ccccc3C1c1ccccc12 1711926 DNQJDTRWFGGUIA-UHYCVJNDSA-N 359.252 5.288 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccc(Cl)cc12 1790005 OIHJFUOFMRTLEG-UHFFFAOYSA-N 367.763 5.653 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 1857726 BJYXJUKRQAOODP-UHFFFAOYSA-N 357.236 6.188 0 40 FKAB Clc1ccc(Cc2nn3cc(-c4ccccc4)nc3s2)c(Cl)c1 2522305 JWFBUQGMCPMEFB-UHFFFAOYSA-N 360.269 5.355 0 40 FKAB Cc1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c(C)c1 2752907 PUNVBXMLECFVPG-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1cc(C)n2c(Nc3ccc(Cl)cc3)c(-c3ccsc3)nc2n1 3909946 YVUASCBMTNYLKZ-UHFFFAOYSA-N 354.866 5.472 0 40 FKAB CCCCCC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC 4322918 MPYSXPHSCSBUPX-CXSMSNRLSA-N 365.561 6.190 0 40 FKAB Cc1ccc(C)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4361197 CJKCUQWDOVKXGB-SIKLNZKXSA-N 360.482 5.607 0 40 FKAB CCCCCCc1ccc([C@@H](O)CN(CCCCC)CCCCC)cc1 4428774 HMWWHLOFHWNWJO-DEOSSOPVSA-N 361.614 6.525 0 40 FKAB Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2)cc1 4502364 WFBIWNGODBKYAY-OAQYLSRUSA-N 350.824 5.835 0 40 FKAB Cc1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(=O)c1CCC(C)C 4702782 CFRDYTYMHGFLFW-UHFFFAOYSA-N 363.461 5.203 0 40 FKAB O=C(Nc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 5628254 ADCBPBODLFGCBI-UHFFFAOYSA-N 359.454 5.108 0 40 FKAB CCCCOc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 6240907 DRCBDAYRWCRVJN-UHFFFAOYSA-N 369.317 5.981 0 40 FKAB CCSc1nnc(Cc2cccc3ccccc23)n1-c1ccc(C)cc1C 6319405 YDLPUEZDPCNLCC-UHFFFAOYSA-N 373.525 5.740 0 40 FKAB O=C(NC1CC1)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 6988700 CHKAAARNJBNGTQ-INIZCTEOSA-N 374.918 5.062 0 40 FKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)OCc3ccccc3)ccc1O2 9134987 HGGZNJYCGKGQPN-UHFFFAOYSA-N 374.396 5.102 0 40 FKAB CSc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 10252322 NKXUVXCZGQLQJG-UHFFFAOYSA-N 373.481 5.133 0 40 FKAB CCOc1ccccc1-c1nc(CC(=O)Nc2cc(C)ccc2C)cs1 12617016 JBXNQHZBWHQUJV-UHFFFAOYSA-N 366.486 5.007 0 40 FKAB CC(C)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 12771949 LBLWTDZPFWDBRO-UHFFFAOYSA-N 374.469 5.129 0 40 FKAB C[C@@H]1C[C@@](C)(C(=O)NCc2ccco2)[C@@H](c2ccccc2)c2ccccc21 13615245 ALRCIZCYZVAYTB-OUPRXKBMSA-N 359.469 5.241 0 40 FKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 16348461 SQFVEOAHQRSSAA-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3cccc(Cl)c3)o2)s1 19217737 XQBHURWWXYDFLY-HNNXBMFYSA-N 359.882 5.097 0 40 FKAB CC[C@@H](CNc1cccc(OCC(C)C)c1)Oc1ccccc1[C@@H](C)CC 19738311 OEXTVLGJKMOKSN-FPOVZHCZSA-N 369.549 6.504 0 40 FKAB Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3Cl)n2)c(C)s1 20015063 XAHPRWCEDRMPQS-UHFFFAOYSA-N 366.870 5.533 0 40 FKAB Cc1cc(C)cc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 22237696 JGWLRVPAVMJSOL-UHFFFAOYSA-N 351.475 5.089 0 40 FKAB Clc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)c(Cl)c1 30823806 VSIJEMLQRVPQLN-UHFFFAOYSA-N 370.033 5.473 0 40 FKAB CC1(C)C[C@@H](NCC[C@](C)(c2cccc(C(F)(F)F)c2)C2CC2)CCO1 32087941 MXIQFLMWRRVXLL-ICSRJNTNSA-N 369.471 5.310 0 40 FKAB CCCC[Sn](CCCC)(CCCC)n1cccn1 195775813 WACFHFPIUHTIKF-UHFFFAOYSA-N 357.130 5.077 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2)c(C)c1 223366471 PZVMUNYNPDISAJ-NRFANRHFSA-N 367.851 5.615 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C 223398387 ODFKLIUWUSIEJP-MRXNPFEDSA-N 361.938 5.376 0 40 FKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl 225617032 ZJUONWGYAJIJJG-UHFFFAOYSA-N 369.933 5.545 0 40 FKAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1Cl 225737209 CLJWXNXDZWJTDX-IBGZPJMESA-N 355.906 5.299 0 40 FKAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCCCC1 225830323 IOUYZHDZTKOJNZ-KRWDZBQOSA-N 369.505 5.695 0 40 FKAB CC(C)Oc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225866993 MNGNQFCPGDDXHQ-UHFFFAOYSA-N 354.519 5.230 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 225956552 XTSISJWBPDRHFT-UHFFFAOYSA-N 369.770 5.038 0 40 FKAB Cc1cc(C)c2oc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 226308549 YPGOEIXDBJIICL-UHFFFAOYSA-N 367.831 5.240 0 40 FKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1onc(C2CCCCC2)c1C 332716027 ZHDDEEDGCLZDET-UHFFFAOYSA-N 367.371 5.005 0 40 FKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccccc1 408837877 AIXZRXANBDPWPT-MDWZMJQESA-N 374.248 5.553 0 40 FKAB O=C(O)c1cccc(COc2ccc(-c3nc4ccccc4s3)cc2)c1 409189005 MQPPTDGIOMXODH-UHFFFAOYSA-N 361.422 5.241 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1 793914 IAYZOGBSNDMMDR-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(-c2nc(Nc3cccc4ccccc34)sc2CC(=O)O)cc1 979473 KKXJOQPWPCODTP-UHFFFAOYSA-N 374.465 5.642 0 40 FKAB O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)N1CCCCCC1 1083474 KAKWSCYOEPHRJT-UHFFFAOYSA-N 368.260 5.182 0 40 FKAB CCOc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1OCC 2663426 MRMHGCIIOIGTAI-UHFFFAOYSA-N 368.861 5.085 0 40 FKAB CCCCCCn1c(COc2cccc3ccccc23)nc2ccccc21 2666372 DPGFKDRWJYCZAX-UHFFFAOYSA-N 358.485 6.349 0 40 FKAB Cc1ccc(NP(=O)(Nc2ccc(C)cc2)Oc2ccccc2)cc1 3122348 RHQBGWSPPAKUGZ-UHFFFAOYSA-N 352.374 6.015 0 40 FKAB Fc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 3241528 PPSADBJBFLAJSL-UHFFFAOYSA-N 361.445 5.366 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCc2ccccc21 3297587 ZYWYEILSXNILBV-OAQYLSRUSA-N 355.437 5.322 0 40 FKAB aggregator Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 3326762 COFMQRZDJIBBLR-KGLIPLIRSA-N 366.288 5.255 0 40 FKAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 3330172 PZSVHLHYJQPITB-UHFFFAOYSA-N 374.436 5.444 0 40 FKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](CC)C4)N2)cc1 4545447 HCLXPEYUCAMXBA-SGTLLEGYSA-N 356.491 5.091 0 40 FKAB CCOc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccccc1 4942816 KSOUBZQECVNLOA-UHFFFAOYSA-N 371.864 5.201 0 40 FKAB c1ccc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1 5021061 SDBGAYJACJRXRH-UHFFFAOYSA-N 351.456 5.152 0 40 FKAB O=C(COc1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1 5947275 GSHMOMLILSFAPZ-UHFFFAOYSA-N 353.421 5.584 0 40 FKAB O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(Cl)c1Cl 6335250 WJIDCNQPOOEZKR-UHFFFAOYSA-N 366.269 5.530 0 40 FKAB CC[C@@H]1CCc2c(sc3ncn4nc([C@@H]5C[C@@H]5c5ccccc5)nc4c23)C1 6489444 HROCJKXDDUZIEW-KBRIMQKVSA-N 374.513 5.125 0 40 FKAB Cc1nc(SCc2nnc(-c3ccccc3)o2)n(C2CCCCC2)c1C 6973335 QQXQCHHOISTDKM-UHFFFAOYSA-N 368.506 5.347 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1C 8383043 VIWMCUVZOGALJR-UHFFFAOYSA-N 363.844 5.440 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c(C)c1 13364408 MMRPTQVIXRUZQN-OAQYLSRUSA-N 373.431 5.694 0 40 FKAB CC(C)(C)c1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1 14190196 GLOHJKUGWGIGFM-UHFFFAOYSA-N 371.571 6.105 0 40 FKAB Cc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1C 16031280 QNJWFQXOAZIRQJ-UHFFFAOYSA-N 364.059 5.564 0 40 FKAB CC[C@H](C)C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@H](C)CC)cc2)cc1 17154511 DFBCMXYLFRNJBB-CALCHBBNSA-N 366.505 5.247 0 40 FKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)c1 21579017 YMGMITQZDSGZAN-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB O=C(Nc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22053698 PHKUGVVOUSSCEO-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB CSc1ccccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245475 ALNPLECTJSTXQB-UHFFFAOYSA-N 369.515 5.194 0 40 FKAB Cc1ccccc1Cn1cnc2c(-c3cccc(Cl)c3)csc2c1=O 23126538 BFNVOWMYHDIEAP-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB COc1ccc(OC)c(CCC(=O)Nc2ccccc2-c2cccs2)c1 24992749 DJPARRYJLJHPJI-UHFFFAOYSA-N 367.470 5.004 0 40 FKAB COc1ccccc1-c1cc(COc2cc(Cl)ccc2Cl)on1 25058858 GCUWEYVXIZQFQK-UHFFFAOYSA-N 350.201 5.236 0 40 FKAB Cc1ccc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)c1 36716593 BICLQUNXOWGUFP-UHFFFAOYSA-N 358.869 5.845 0 40 FKAB CC(=O)Nc1cccc([C@@H](C)OC(=O)CCSc2ccc(C)c(C)c2)c1 48331607 PPTQNSQSAMFGBU-MRXNPFEDSA-N 371.502 5.048 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 58378164 SQEHLMKFKZQHMK-YVEFUNNKSA-N 368.864 5.185 0 40 FKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Cl)N1CCCC1 64471789 APLVPMGDIJJDJH-UHFFFAOYSA-N 369.827 5.007 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C 72215228 NVNWYYCPAHNRHS-WMZOPIPTSA-N 361.530 5.167 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 78458558 LQSYOJGRUXKTPH-HTAPYJJXSA-N 361.485 5.437 0 40 FKAB Fc1ccc(-c2nc(COc3ccc(Oc4ccncc4)cc3)co2)cc1 79061240 URDYGQOLXFDSSA-UHFFFAOYSA-N 362.360 5.247 0 40 FKAB C/N=c1/scc(-c2ccccc2)n1CCc1c[nH]c2ccc(Cl)cc12 101379465 OYSIYYLSQCFWAA-LSDHQDQOSA-N 367.905 5.125 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102277291 ORBXWZRYNQSBIZ-UFYCRDLUSA-N 362.517 5.998 0 40 FKAB Nc1ccc2nc(SCc3coc(-c4ccc(Cl)cc4)n3)sc2c1 104766341 PRHBKENUKVHVJO-UHFFFAOYSA-N 373.890 5.479 0 40 FKAB CCOC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924329 UEYAIUYANUAWRC-HXNVYPELSA-N 374.609 6.625 0 40 FKAB Cc1ccc([C@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2)cc1 216481387 POCGXPZZLYUJAU-POICXBNUSA-N 361.872 5.567 0 40 FKAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224165893 IVCPROQVHZFATH-INIZCTEOSA-N 369.505 5.100 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C)cc2C)cc1 225496731 UNJABXJJMKQJIG-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB Nc1cc(Cl)ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 226347345 XKSXXDHYJTZPKO-UHFFFAOYSA-N 371.676 5.696 0 40 FKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(F)cc1)C[C@]2(C)NC(=O)C1CCCC1 257246294 ITMFPNWRBWJGGQ-VUUZQCJOSA-N 373.512 5.157 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)cc1 257260206 LBUBDYJUNSOKIK-LJQANCHMSA-N 367.445 5.124 0 40 FKAB CCCC(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 408624866 CUOJNMQIRCSDMO-UHFFFAOYSA-N 365.285 6.009 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1C 409112186 KRMQVBVKUSDJLK-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc2ccccc2o1 722759 RXBBJTKQZJDBAE-UHFFFAOYSA-N 354.837 5.329 0 40 FKAB CCc1ccccc1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 1222367 BZOHCMQAGVUMRI-UHFFFAOYSA-N 361.470 5.155 0 40 FKAB O=C(Nc1ccccc1Br)c1sc2ccccc2c1Cl 1506786 OYBMTNKQKLGKFN-UHFFFAOYSA-N 366.667 5.570 0 40 FKAB CN(C)CCC[C@@]1(c2cccc(Cl)c2)SC(C)(C)c2ccccc21 1745352 XXKSIEJHMBPUQD-NRFANRHFSA-N 359.966 5.907 0 40 FKAB CCCCOc1cc(OCCCC)c2c(=O)cc(-c3ccccc3)oc2c1 1750370 HGFDSLZROUUCKN-UHFFFAOYSA-N 366.457 5.818 0 40 FKAB biogenic C[C@H]1CCCC[C@H]1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807501 PNUAAIFWELAVJV-KBXCAEBGSA-N 351.881 5.941 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3Cl)c2c1 2329960 MDNIAXIFTCBVHM-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB COc1ccc([C@H](CC(=O)c2cccs2)SCc2ccco2)cc1 2709379 YTMIAHDLAGKMTK-IBGZPJMESA-N 358.484 5.597 0 40 FKAB CC(C)c1ccc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120624 HBCKFPHXVUCAMA-RPBOFIJWSA-N 372.464 5.712 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)CCC3CCCCC3)cc2)cc1C 3311044 OTHDPBKPZAHYSB-UHFFFAOYSA-N 367.558 6.754 0 40 FKAB COc1cc2c(cc1NC(=S)Nc1ccccc1F)oc1ccccc12 3365512 KARYCPQTOWDJET-UHFFFAOYSA-N 366.417 5.543 0 40 FKAB CC(C)c1ccc2nc(NC(=O)CCSc3ccccc3)sc2c1 4348709 JLWYCEPTYAEQFT-UHFFFAOYSA-N 356.516 5.541 0 40 FKAB CC1(C)Cc2ccccc2C(C2=NC3(CCCCC3)Cc3ccccc32)=N1 4381128 QSIWSOZDZZFHEY-UHFFFAOYSA-N 356.513 5.559 0 40 FKAB c1ccc(-c2ccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)cc2)cc1 4729000 AQESHMDCMHVRIJ-MHZLTWQESA-N 374.487 6.709 0 40 FKAB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Cl)c(Cl)c2)cc1 6332308 BJJWOEOBGWNMBY-UHFFFAOYSA-N 374.267 5.777 0 40 FKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 6570323 ICQRNFDEGXSMJV-QGZVFWFLSA-N 352.478 5.107 0 40 FKAB Clc1ccc(SCCCCN2CCCC[C@H]2c2cccnc2)cc1 6719270 KBWHXJPKBSCKRZ-FQEVSTJZSA-N 360.954 5.835 0 40 FKAB biogenic Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@H]21 6960377 XINVOZCMAHTOLH-NNMXDRDESA-N 361.485 5.817 0 40 FKAB Cc1ccccc1N(C(=O)/C=C/c1ccco1)c1nc2ccccc2s1 7486104 TWOFOBYXNMBUPN-OUKQBFOZSA-N 360.438 5.576 0 40 FKAB Cc1nc(-c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)cs1 8075865 HHAUWOBFUIWHIR-UHFFFAOYSA-N 361.470 5.171 0 40 FKAB O=C(CCc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 10457562 QKACJFWUNDUYDI-UHFFFAOYSA-N 351.833 5.704 0 40 FKAB CCc1ccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)cc1 13551664 PNGSNJQHKTTZTC-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 20453509 SWUNPDJDBVUCDO-QFIPXVFZSA-N 361.485 5.979 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CSc2ccccc2)cc1 20481257 QHDZZUGYTHHOHH-QHCPKHFHSA-N 373.521 5.786 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 20625088 XBJURJGSEZVUDY-MRXNPFEDSA-N 368.424 5.152 0 40 FKAB CCc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](C)C2 20796581 CNPSUISKPIIVHC-CQSZACIVSA-N 363.436 5.082 0 40 FKAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)n1 24449436 RAZOWTATKHEXMU-UHFFFAOYSA-N 367.474 5.046 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 30755861 HKGCXECRJCPWAA-OAHLLOKOSA-N 373.827 5.868 0 40 FKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)C 72214939 SUKNHVXKVYYYPU-SFHVURJKSA-N 361.530 5.167 0 40 FKAB COC(=O)c1cc(S[C@H](C)c2nnc(-c3ccccc3)o2)ccc1Cl 79058178 GPHGPRPWOIASPA-LLVKDONJSA-N 374.849 5.030 0 40 FKAB CCC(=O)Nc1c(-c2cc(=O)oc3c(C)cc(C)cc23)oc2ccccc12 100653766 DRYMNIKBILLKEG-UHFFFAOYSA-N 361.397 5.172 0 40 FKAB biogenic CCCOC(=O)C[C@@H](C(=O)OCCC)C(C)(C)/C=C(/C)C[C@H](C)CCC 104356020 AGNQUSDMKNHBPT-FVTURNAYSA-N 368.558 5.698 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223105864 UEJNKWDFBRMOFN-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224942441 IKZUPPFHJIZKKD-QHCPKHFHSA-N 365.517 5.704 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Br 225478103 VZWOPLWJSZUASN-UHFFFAOYSA-N 358.279 5.208 0 40 FKAB CC(C)Oc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225661015 NAIURCONNIZWLV-QGZVFWFLSA-N 370.562 5.517 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225746472 TYURRBKBFHTFGT-JOCHJYFZSA-N 361.526 5.630 0 40 FKAB Cc1ccc(C)c(NCc2ccccc2OCc2cccc(Cl)c2)c1 409119498 WVQVKHNOFLELRZ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccccc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409122366 YQIAZHUPOGPNNI-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409135597 QNDDNMREGYTWNJ-IUCIOQMXSA-N 360.501 5.121 0 40 FKAB CC[C@@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 575362633 PAVLNVKQQXIJCV-CYBMUJFWSA-N 371.196 5.844 0 40 FKAB CC(C)Cc1nc(CCC2CCCC2)c(C(=O)O)cc1-c1ccccc1F 585265447 QEYMOSYZAGYIRS-UHFFFAOYSA-N 369.480 5.907 0 40 FKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(F)cc1 974474 YISNHAZKYIIPIJ-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB O=C(c1cccnc1Nc1ccc(Oc2ccccc2)cc1)N1CCCCC1 1340505 LDSLHJPZMISINF-UHFFFAOYSA-N 373.456 5.244 0 40 FKAB CCCCN(CCCC)C[C@H](O)c1ccnc2c(Cl)cc(Cl)cc12 1595069 KKIDSYHNLHKVRP-SFHVURJKSA-N 369.336 5.477 0 40 FKAB COc1ccc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 2105385 ZMJWASOKXZNAGI-UHFFFAOYSA-N 358.393 5.048 0 40 FKAB biogenic Cc1ccc(N2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)c(C)c1 2450001 KPVJRPHXVFVMIO-UHFFFAOYSA-N 369.848 5.037 0 40 FKAB Cc1ccc(Sc2ncccc2-c2nc3cc(Cl)ccc3o2)cc1 3051086 PDRACKCPCZTNKL-UHFFFAOYSA-N 352.846 6.003 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@@H]12 3849993 ZSXQKJCUWHUJJR-JXFGHYCFSA-N 364.573 6.781 0 40 FKAB biogenic Cc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 3851807 WFBOMZWUZOIPFV-AREMUKBSSA-N 362.476 6.504 0 40 FKAB biogenic CCOc1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1 4571790 XAZCFCCCCWTYDA-SFHVURJKSA-N 350.443 5.243 0 40 FKAB COc1cccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccccc23)c1 4970275 DHYHZMBEXVNRKG-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB Cc1ccc([P@@](=Nc2ccc(F)cc2)(Oc2ccccc2)C(C)(C)C)o1 5445443 PJLVLBWLBJFDRL-AREMUKBSSA-N 371.392 6.678 0 40 FKAB CC[C@H](C)N(C(=O)CCCC(=O)N([C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC 5984738 BKGXIBOYIPJXEY-VJANTYMQSA-N 354.579 5.008 0 40 FKAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1F 6084555 UYZNKVHRZCCELO-UHFFFAOYSA-N 373.383 5.014 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2ccccc2c1 6652116 IHDGDMLFPOVYBS-LSDHHAIUSA-N 353.849 5.138 0 40 FKAB CC(C)c1ccccc1N(C(=O)C1CCC1)c1nc2ccccc2s1 6944466 MLJWGFZTEDYNSL-UHFFFAOYSA-N 350.487 5.885 0 40 FKAB CSc1ccc(CN(C)C(=O)c2cc3cc(Cl)ccc3nc2C)cc1 10135605 BJYPRHWAGNTVRB-UHFFFAOYSA-N 370.905 5.191 0 40 FKAB CC1(C)C[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2O1 10542983 DKUDWTAZRSIOIY-NRFANRHFSA-N 357.453 5.386 0 40 FKAB O=C(c1c(F)cccc1Cl)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188124 RMGANUMAUMJGGU-INIZCTEOSA-N 368.839 5.047 0 40 FKAB Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 12585441 OBCQFYZDOQXYAN-UHFFFAOYSA-N 359.454 5.162 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 12599648 YPEZSYBLALPHFV-UHFFFAOYSA-N 354.519 5.025 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 13069975 ZFXVEUTZBZQLJT-HNNXBMFYSA-N 359.897 5.063 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c(C)c1 14227700 HPKHINAAMCJMBY-UHFFFAOYSA-N 365.498 5.003 0 40 FKAB Cc1cc(C)cc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn23)c1 19910172 VQYLVVOTYBYPEN-UHFFFAOYSA-N 362.502 5.434 0 40 FKAB Clc1ccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)cc1 20405246 PYPOFRMPEINVHS-UHFFFAOYSA-N 370.239 5.809 0 40 FKAB CC(C)c1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1 20495989 PARPUQZLWKOWIP-LFYBBSHMSA-N 367.836 5.165 0 40 FKAB c1coc(-c2nc(SCc3nc4ccccc4o3)c3ccccc3n2)c1 32868685 YDQNOCCRFBPWID-UHFFFAOYSA-N 359.410 5.323 0 40 FKAB CCCCC/C=C\C/C=C/CCCCCCCCCCCC(=O)OC 33416902 UPIRHFZFPVEDCF-QEFCTBRHSA-N 350.587 7.533 0 40 FKAB Cc1ccc(C)c(CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 46022204 LNYAEOHUNMCKAS-UHFFFAOYSA-N 368.571 6.160 0 40 FKAB Cc1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 64471580 OJHWQLYJOIGIBB-UHFFFAOYSA-N 363.436 5.052 0 40 FKAB O=C(NCC1CCCC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 70039748 OFOUMEHTTTXYLB-UHFFFAOYSA-N 364.420 5.068 0 40 FKAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)S1 71286114 YTJQKERVLLACBR-CYBMUJFWSA-N 355.385 5.075 0 40 FKAB CC(C)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C(C)C 72212992 IBJCFQWNAPVCKY-NRFANRHFSA-N 365.521 5.072 0 40 FKAB CCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215639 RKDCXBDHDQHOLZ-IBGZPJMESA-N 373.541 5.313 0 40 FKAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCCC1)C1CCCCC1 72215753 VMARLEXYIWDYFX-UHFFFAOYSA-N 357.498 5.129 0 40 FKAB O=C(O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 73635390 ZZLLITVVWACONU-UHFFFAOYSA-N 368.639 5.077 0 40 FKAB C[C@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 216841446 VAXFQKMUDFCHEL-GASCZTMLSA-N 354.881 5.626 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224426002 OWOJRWLNNBLMEB-IBGZPJMESA-N 374.484 5.004 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225887389 SPVVIJCOOIUFFQ-QFIPXVFZSA-N 372.509 5.194 0 40 FKAB CCc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 226286888 PPJCWGGTBLPTGV-UHFFFAOYSA-N 354.409 5.218 0 40 FKAB CC(=O)Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1 408825460 IKAZYLCDZDDEAQ-UHFFFAOYSA-N 370.477 6.103 0 40 FKAB Cc1cc(C)c2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)sc2c1 1775977950 YYKYKZYQFOCJRF-CABCVRRESA-N 356.878 5.309 0 40 FKAB O=C1c2ccc(Oc3ccccc3)cc2C(=O)N1c1ccc2ccccc2c1 710934 XVYURUUFBAKAII-UHFFFAOYSA-N 365.388 5.433 0 40 FKAB Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405035 WODZAXHJTFOWHC-UHFFFAOYSA-N 370.840 5.038 0 40 FKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCC(C)C)ncnc32)cc1 1455565 ATZIWVFNKJMUOP-UHFFFAOYSA-N 372.472 5.164 0 40 FKAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 2334971 WXSCGUJLGHLJKU-UHFFFAOYSA-N 374.465 5.248 0 40 FKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1cccs1 3655406 YGILIMIPSIYLBI-UHFFFAOYSA-N 365.385 5.117 0 40 FKAB CC[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 4358288 AOUWTGIEFIEWFQ-CQJMVLFOSA-N 371.524 5.719 0 40 FKAB c1ccc([C@@H]2O[C@H](c3ccco3)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 4661580 OINGAVBNLZRPHH-DSNGMDLFSA-N 367.448 6.298 0 40 FKAB CCC(CC)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 5375220 WIFTTYOKJVLTLC-UHFFFAOYSA-N 359.282 5.393 0 40 FKAB C[C@@H]1CCC[C@@H](NC(=O)c2sc3cc(Cl)ccc3c2Cl)[C@@H]1C 5504827 WVKPAUMSQIVGKI-GIPNMCIBSA-N 356.318 5.763 0 40 FKAB CC(=O)Nc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 6338968 HWZNVAKGWZEAOT-QPJJXVBHSA-N 373.239 5.376 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 10434480 IQDBULGOGDNGRX-UHFFFAOYSA-N 373.496 6.348 0 40 FKAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12586430 FNBOIQTVVFDSBE-AWEZNQCLSA-N 365.502 5.120 0 40 FKAB CCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 14269008 HEZQPAUGFJJBCZ-KRWDZBQOSA-N 352.478 5.107 0 40 FKAB COc1ccc(C(=O)C[C@H](Nc2ccc(C)c(C)c2)c2ccccc2)cc1 16312512 BNNOMEAKOFKVPM-QHCPKHFHSA-N 359.469 5.738 0 40 FKAB CC(C)c1ccc(CN2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 19366420 VLOMAWCYFDMKSV-UHFFFAOYSA-N 350.550 5.251 0 40 FKAB Cc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1C 20459451 FATJXAWYYPRGNV-UHFFFAOYSA-N 370.496 5.509 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576360 ZNMYETRKYTTYLM-UHFFFAOYSA-N 370.468 5.103 0 40 FKAB CC(C)c1ccc([C@H](NC(=O)c2cc(C3CC3)on2)c2cccs2)cc1 26697892 QEMLWFZHMCRSBW-FQEVSTJZSA-N 366.486 5.256 0 40 FKAB CCc1nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2nc1CC 40160535 POXMAVBTSUJUGZ-UHFFFAOYSA-N 374.271 5.314 0 40 FKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(Cc2ccccc2)c2ccccc21 49021284 UNRZIQVDVVUGOC-DFBJGRDBSA-N 370.496 5.580 0 40 FKAB Cc1ccc(CN(C(=O)Nc2ccncc2)[C@@H]2CCc3ccccc32)cc1 84148822 JMBAYBFKDAANIB-JOCHJYFZSA-N 357.457 5.112 0 40 FKAB CCCCCc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 90430693 MDVFITMPFHDRBZ-RAXLEYEMSA-N 371.864 5.423 0 40 FKAB Cc1noc2c1[C@@H](c1ccccc1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102728789 VSCGXVOWILAMNW-HRAATJIYSA-N 372.424 5.296 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1C 107024519 ZGENKBWOJVUXEY-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219612935 HFCGRRGLNSAMPF-WOJBJXKFSA-N 359.897 5.382 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 221836909 ZJEVTXDTOFZNDI-WJDWOHSUSA-N 355.315 5.458 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C(F)(F)F 225956360 ZXIOOUQQRJQZEH-UHFFFAOYSA-N 363.379 5.163 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H]1O[C@H](O[C@@H]3C[C@@H]4[C@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@@H]21 253592488 VUDXCBLBKXFCNA-PVQRMIOKSA-N 374.565 5.378 0 40 FKAB in-vitro CCc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 408588335 VOSMTSDJLIDOQY-UHFFFAOYSA-N 365.860 5.734 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c1 409117936 RRUKPVXHLYDKOS-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1c1cccc(Cl)c1 409218068 YKMNYUUGMBIIRB-YRNVUSSQSA-N 356.255 5.296 0 40 FKAB CCN(Cc1cccc(Br)c1)c1cccc(OC(F)F)c1 585090202 LLUDVOORJIMHRR-UHFFFAOYSA-N 356.210 5.077 0 40 FKAB CC1(C)CCCN(CC2CC2)Cc2cccnc2Oc2ccccc2OC1 643566183 ACPLNCZORIWLNV-UHFFFAOYSA-N 366.505 5.285 0 40 FKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 951396 BOPOCDNLFMSXSQ-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 1247290 RPUDMZNNPQTLLL-UHFFFAOYSA-N 371.440 5.440 0 40 FKAB CCCCc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 1808085 NYLBZYZJNASJRN-UHFFFAOYSA-N 352.261 5.354 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 1837787 DWIVXJZNALVQBX-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB CCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 2079601 ZOCTYRDMDJPDCA-UHFFFAOYSA-N 367.876 6.211 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccccc1Cl 3120613 SFIYUOFJQWFWKH-VXKWHMMOSA-N 364.828 5.242 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1 4176317 PCTLQVFMBXSYJF-ZHACJKMWSA-N 363.467 5.072 0 40 FKAB CC(C)(C)c1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1 4458524 YZBJNVICNFGNCW-BOPFTXTBSA-N 374.267 5.635 0 40 FKAB Cc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1C 4887567 UYVTXQLOVBXHRZ-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB Cc1sc(NC(=O)c2ccccc2)c(-c2nc3ccccc3s2)c1C 5255645 HKWRABVNBOXUCM-UHFFFAOYSA-N 364.495 5.894 0 40 FKAB Fc1ccc(-c2csc(/C=C/c3cccc(Cl)c3Cl)n2)cc1 5870317 RGFHMYAVIZWUAE-RMKNXTFCSA-N 350.245 6.426 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1Oc1ccccc1 5959393 ORZNCNNWNJFHNR-UHFFFAOYSA-N 370.452 5.922 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCCCC2)cc1 6249188 VOUNTVQCYHGZBB-UHFFFAOYSA-N 360.457 5.091 0 40 FKAB COc1ccc(-n2c(SC(C)C)nnc2-c2ccccc2Cl)cc1 6539086 SMXYSTCFOILEAP-UHFFFAOYSA-N 359.882 5.097 0 40 FKAB COc1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6570922 LZQTZOLKGRQQQG-FQEVSTJZSA-N 351.496 6.115 0 40 FKAB aggregator O=C(CSc1nc2cc(Cl)ccc2s1)NCCC1=CCCCC1 6884112 XRVNSWUYVHKESJ-UHFFFAOYSA-N 366.939 5.049 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 7080184 KTIVWTWFAUTFQR-AWEZNQCLSA-N 368.502 5.444 0 40 FKAB Cc1ccc(C(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 7652232 HLLHCBJRUJUVLX-UHFFFAOYSA-N 360.497 5.990 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774771 SXBGHHIWJUBHRM-INIZCTEOSA-N 354.563 6.155 0 40 FKAB Clc1ccc(COc2cccc(CNCc3ccccc3Cl)c2)cc1 16449761 KVBHCQIUQJQKQT-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB O=C(c1ccccc1)C(C(=O)c1ccccc1)c1ccc2ccccc2n1 16952484 CRIOSTAFYJREBJ-UHFFFAOYSA-N 351.405 5.084 0 40 FKAB Cc1cccc(-c2nn(Cc3ccccc3)c(-c3cccc(C)c3)c2C)c1 17073090 LCWYEYYVZRNBFR-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20450976 CRVMGRNWSQIMBS-QGZVFWFLSA-N 368.546 5.283 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20460956 TWZRDBXIBBARNY-LADGPHEKSA-N 373.496 5.367 0 40 FKAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(Oc2ccccc2)cc1 32744653 OVCCQIBZDZVEMF-KRWDZBQOSA-N 361.441 5.287 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 59475063 OCURDTSMDJJCDP-LFIBNONCSA-N 367.408 5.056 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(SC)c1 71761404 DNHVIZAAJHGSEQ-UHFFFAOYSA-N 352.912 5.188 0 40 FKAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(F)cc2Cl)c1 71761714 FREZLCYHJSRDFC-UHFFFAOYSA-N 368.861 5.085 0 40 FKAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3ccc(C(C)C)cc3)o2)s1 72390173 GWPAYTVODSNCEY-SFHVURJKSA-N 367.518 5.567 0 40 FKAB O=C(c1ccccc1)c1coc2ccc(OCc3ccccc3Cl)cc12 96184071 QNQKQHOVFAQIEI-UHFFFAOYSA-N 362.812 5.896 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H]1C[C@H]3C=C[C@H]1C3)c2-c1ccccc1 103637860 GQINAOLOPRBWQT-KZEVZHLLSA-N 374.528 6.039 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSC2CCCCC2)c1 223305482 BSGZHZHINBRTRX-QGZVFWFLSA-N 363.567 5.068 0 40 FKAB Cc1ccc([C@H](NC(=O)Cc2ccc(Cl)cc2F)c2ccccc2)cc1 223879127 IQECFFUYDFARES-JOCHJYFZSA-N 367.851 5.236 0 40 FKAB O=C(Cc1cccc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 223879432 TXDZQMNJYWPKAY-UHFFFAOYSA-N 351.833 5.100 0 40 FKAB CC(C)c1ccccc1O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225091285 VYCCVJBFTVLUBI-QGZVFWFLSA-N 353.245 5.192 0 40 FKAB O[C@H](c1ccc(Br)cc1)c1ccc2c(c1)Cc1ccccc1-2 226296703 YKTISVBYECFHDX-HXUWFJFHSA-N 351.243 5.102 0 40 FKAB COc1ccc(Oc2ccc(NC(=S)NC3CCCCC3)cc2)cc1 408549155 PZHUGBNWAZGOSH-UHFFFAOYSA-N 356.491 5.107 0 40 FKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Oc1ccccc1 408585162 BTZRMJCZNYBTBP-UHFFFAOYSA-N 367.832 5.783 0 40 FKAB Cn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(Cl)c(Cl)c1 575628214 DVUNALDJFMVZNS-UHFFFAOYSA-N 369.704 5.946 0 40 FKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 585265845 SMDNVUMKALNXQW-UHFFFAOYSA-N 373.880 5.622 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cc(C)ccc1OC 645447 SNGNDWAUKWBBBH-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB COc1ccccc1NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C 840280 XEPGBYGCMFBBTQ-MABQZBNFSA-N 369.464 5.177 0 40 FKAB Cc1nc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2s1 945501 YVQFIYFWTMAYLC-UHFFFAOYSA-N 358.875 5.725 0 40 FKAB Cc1cc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)ccc1Cl 1904074 KGVJDKXOYHTVNY-UHFFFAOYSA-N 360.881 5.711 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(CC)cc1)C3 2118592 NQVONWVMZOLMNB-UHFFFAOYSA-N 363.457 5.055 0 40 FKAB biogenic CCCCCCc1c(C)c2ccc(OC(=O)c3ccco3)c(C)c2oc1=O 2137174 PMOZWFNYGULSLX-UHFFFAOYSA-N 368.429 5.345 0 40 FKAB biogenic C[C@H]1[C@@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 4027055 DYGSLTDGTPXLQY-ZDVIWOCCSA-N 355.305 5.524 0 40 FKAB COc1ccc(CNCC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1 4073652 ZHEVIZJQOHGJNM-XZOQPEGZSA-N 361.570 5.433 0 40 FKAB biogenic O=C(Nc1ccccc1F)c1cc2sccc2n1Cc1ccccc1 4970925 YCMLYDYYNDCGGP-UHFFFAOYSA-N 350.418 5.143 0 40 FKAB CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccc(C)c2)s1 4982509 VVDMWRJPULZVNV-UHFFFAOYSA-N 365.502 5.269 0 40 FKAB C[C@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc2C1 5165450 BZMWWNKSRKUREO-AWEZNQCLSA-N 364.470 5.313 0 40 FKAB FC(F)(F)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 6970205 RDKNDDVJPYZCSR-UHFFFAOYSA-N 364.314 5.533 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCC(c2nc3ccccc3s2)CC1 7645013 OHJMYTOKUBNCQR-UHFFFAOYSA-N 362.454 5.062 0 40 FKAB COc1ccccc1[C@H](C)NC(c1ccc(F)cc1)c1ccc(F)cc1 9582068 PKMZBPAWFZJQJO-HNNXBMFYSA-N 353.412 5.414 0 40 FKAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 12620036 DSBLPZIRGRTNCB-UHFFFAOYSA-N 366.486 5.061 0 40 FKAB Cc1cc2nc(-c3cc(NC(=O)CC(C)C)cc(C)c3O)oc2cc1C 12651608 NHFQIGNDGQZZKR-UHFFFAOYSA-N 352.434 5.110 0 40 FKAB Cc1cccc2sc(C(=O)Nc3ccc4c(c3)OCCCO4)c(Cl)c12 12932949 OUYYKVNWMJBGJO-UHFFFAOYSA-N 373.861 5.277 0 40 FKAB c1cncc(CN(Cc2cnn(C3CCCCC3)c2)Cc2cccs2)c1 13569772 KEXMYTFGJYXLCR-UHFFFAOYSA-N 366.534 5.047 0 40 FKAB C[C@H](NC(=O)c1cc(Cl)sc1Cl)C12CC3CC(CC(C3)C1)C2 14076674 XEXJEDLUFAROCW-DPTRXVFKSA-N 358.334 5.390 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@H]21)c1ccccc1 18255921 MHYNSJVWRVYYJJ-JYAXBFRTSA-N 372.512 5.540 0 40 FKAB Clc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1Cl 19292623 WHSZVMORPBBUSD-AWEZNQCLSA-N 369.342 5.585 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 20049361 XERIQMCVPUXIAV-HNNXBMFYSA-N 359.425 5.476 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 20488791 VEJFPDNMHCVHCV-IBGZPJMESA-N 373.374 5.655 0 40 FKAB CCOc1cc2nc(C(F)(F)F)cc(-c3cccs3)c2cc1OCC 24926956 OKZRWTCNDGVEJP-UHFFFAOYSA-N 367.392 5.780 0 40 FKAB Cc1cccc(OCC(=O)N(Cc2cccs2)c2cccc(Cl)c2)c1 27662833 VXIFJCPKFJKECT-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 30848263 PKZLOXREBWJQOH-CQSZACIVSA-N 351.368 5.037 0 40 FKAB Cc1cccc(C)c1NC(=O)NC1(c2cccc(Br)c2)CCC1 40158638 GXEZSAVOPGVXEU-UHFFFAOYSA-N 373.294 5.267 0 40 FKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1Cl 48325444 FYSRHMVLOQFXHK-UHFFFAOYSA-N 350.802 5.065 0 40 FKAB O=C(Oc1c(Cl)cccc1Cl)c1csc(-c2cccs2)n1 61204832 QETMYGPERWCGBG-UHFFFAOYSA-N 356.255 5.398 0 40 FKAB CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215346 AQQBBTLALCOZEA-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CCCCCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 83328558 WJMGXAOYXPUADX-HKWRFOASSA-N 367.420 5.129 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C=C4C=CCC[C@]4(C)[C@@H]3CC[C@@]21C 90768787 KMOZZJKTWNSBHG-IYRXRQTASA-N 354.622 7.804 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1c[nH]c2ccccc12 96115399 RSPPOKOFEZVSEI-IBGZPJMESA-N 363.848 5.110 0 40 FKAB biogenic C[C@]12CC3CC(C(=O)Nc4nc5ccc(Cl)cc5s4)(C1)C[C@](C)(C3)C2 104933599 NLPOOMAJTAGYNG-NSMVARRGSA-N 374.937 5.885 0 40 FKAB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)[C@H](C)O)[C@@H]3CC[C@]2(C)C1 123438746 QUWRCMPXPZEVLG-QQYNGZOZSA-N 362.598 5.821 0 40 FKAB C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 169619751 OSTLLWRZYOJDGD-XGTXPGHHSA-N 365.542 5.461 0 40 FKAB Cc1c(Cl)cccc1NC(=S)NCCc1ccc(Cl)cc1Cl 215685469 DOKCBHQNCWDYBO-UHFFFAOYSA-N 373.736 5.484 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 216458361 DFHYFFALYRIXIH-LJQANCHMSA-N 374.267 5.943 0 40 FKAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)cc1C 219131192 JAZPYYFAJJDCKS-VWLOTQADSA-N 371.524 6.093 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1Cl 222853113 CAHOLDBBTQXPRQ-OXJNMPFZSA-N 359.897 5.319 0 40 FKAB CCCOCc1cc(C(=O)Nc2c(CC)cccc2CC)ccc1OCC 224710704 PECCQKUERZLIPK-UHFFFAOYSA-N 369.505 5.389 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522278 KCHSLMJNQRYBTM-UHFFFAOYSA-N 357.881 5.578 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1 225855016 CQAAYWPXLLFBMF-PGRDOPGGSA-N 365.517 5.236 0 40 FKAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12)C1CC1 225859079 GAYBBUJQIHWYGN-QMHKHESXSA-N 369.505 5.551 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1Cl 408588383 VUFIPHRWUARFPM-UHFFFAOYSA-N 358.652 5.688 0 40 FKAB CC(C)c1c(C(F)(F)F)nc2ccc(OCc3ccccc3)cc2c1O 685938003 HSMNTANIODIQOE-UHFFFAOYSA-N 361.363 5.662 0 40 FKAB Fc1ccc([C@H]2CCc3nnc(-c4ccccc4)n3-c3cc(F)ccc32)cc1 717524 DQGNKQABFIIAHK-LJQANCHMSA-N 373.406 5.291 0 40 FKAB CC1CCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)CC1 1049596 PRLRHIVRZWJVOS-UHFFFAOYSA-N 368.260 5.038 0 40 FKAB COc1ccc(C2=C[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1OC 1405929 SABKVJLHEFKROS-IBGZPJMESA-N 362.400 5.408 0 40 FKAB Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2C)cc1 2453048 OXAGJQOFOZRVHF-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB CCCOc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 2479450 COJYINDLIVIWDJ-UHFFFAOYSA-N 357.413 5.254 0 40 FKAB Clc1c(-c2nnc3n2-c2ccccc2SC3)sc2ccccc12 2638046 XXUKSCRYFOGBDD-UHFFFAOYSA-N 355.875 5.408 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc2ccccc2c1 3287899 NPRFGDVKZBUPTR-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 3353984 DPKCCIIZTYYOCY-UHFFFAOYSA-N 354.453 5.006 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C1c2ccccc2Oc2ccccc21 4196053 BZSRSRLUXGIGLW-UHFFFAOYSA-N 370.235 5.870 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1cccc(F)c1 4574056 SCOVLDMEEWXQIY-OAHLLOKOSA-N 370.371 5.124 0 40 FKAB FC(F)(F)c1nc2cccc(NCc3ccc(-c4ccccc4)cc3)c2[nH]1 4626107 AXLRHGWBROHFMJ-UHFFFAOYSA-N 367.374 5.861 0 40 FKAB O=C(Nc1cc(Cl)ccc1Sc1ccc(F)cc1)c1ccccn1 6509993 RJAFECVSMYXQKU-UHFFFAOYSA-N 358.825 5.278 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 7367006 BSVSTXNZYNEPCE-UHFFFAOYSA-N 372.468 5.856 0 40 FKAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(OC(F)F)cc1 7957452 CHMAPSUSMHYQJE-UHFFFAOYSA-N 369.367 5.043 0 40 FKAB CCOC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 10441572 OIHKLBTYEYZYEB-UHFFFAOYSA-N 359.381 5.015 0 40 FKAB Cc1ccc(OCCNc2ccc(OCCc3ccccc3)cc2)c(C)c1 19738280 VLIGLNHMRCCAMB-UHFFFAOYSA-N 361.485 5.416 0 40 FKAB Cc1sc(N)c(C(=O)c2ccc(Br)cc2)c1-c1ccccc1 19776362 XCLRQMXFAVUCNJ-UHFFFAOYSA-N 372.287 5.299 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 22515653 IVAHHSZKXRAOMW-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB Cc1cc2[nH]c(-c3ccc(Br)cc3Cl)nc2cc1Cl 73638127 UVYSXPHJNXESBO-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB CC(C)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 102402258 DVASEIMGQMNAIH-KKSFZXQISA-N 374.444 5.060 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)c1 218977475 YVSZWGHFRQOKJV-LJQANCHMSA-N 359.469 5.373 0 40 FKAB CCCCNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344576 GVZSCPIDRUTOQV-UHFFFAOYSA-N 363.910 5.171 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCC 224726237 OBOGLZCOEWLCCM-UHFFFAOYSA-N 361.869 5.308 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 225503015 LTVQWTVSMVRSHV-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1SC 225712870 XXCPXKZTHWMEKX-LJQANCHMSA-N 355.503 5.083 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225824343 VVSDIHXNTXJRSI-KRWDZBQOSA-N 361.404 5.028 0 40 FKAB Cc1cccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c1C 225827743 PWDRMMVTGOREPQ-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC)c3ccccc23)CCC[C@@H](C)C1 225855633 DWDPDNLCSDFXRI-OPAMFIHVSA-N 355.478 5.162 0 40 FKAB CCCOc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 253375979 RQDVMHMQVTVAED-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB c1ccc(-c2cncnc2Oc2ccc(Sc3ccncc3)cc2)cc1 539248999 AZAWEPSHMOLDKM-UHFFFAOYSA-N 357.438 5.482 0 40 FKAB CC(C)CCC[C@]1(C)Oc2ccc(CCC(=O)O)cc2[C@@H]2OCCC[C@H]21 585265547 ILXKXRUVTBSVPC-COPCDDAFSA-N 360.494 5.149 0 40 FKAB O=C(Nc1c(F)cccc1F)c1ccc(-c2ccc3ccccc3c2)s1 586561976 CXDVDOWSGLGFPH-UHFFFAOYSA-N 365.404 6.099 0 40 FKAB c1ccc(-c2ccccc2Nc2ccc(-c3cccc4ccccc34)cc2)cc1 2113474301 MUWZDIQAUYFEBE-UHFFFAOYSA-N 371.483 7.917 0 40 FKAB CC1CCN(C(=O)c2ccc(COc3cccc4ccccc34)cc2)CC1 672748 PUQVTVKVFZLLNO-UHFFFAOYSA-N 359.469 5.291 0 40 FKAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCc1ccccc1 917289 BCHGOZCMNRKJRE-UHFFFAOYSA-N 372.925 5.164 0 40 FKAB Cc1c(-c2ccccc2)c2c(n1-c1cccc(C(F)(F)F)c1)CCCC2 1768864 YHUZIGQYIYFFDQ-UHFFFAOYSA-N 355.403 6.350 0 40 FKAB CCC[C@@H]1CCc2nc(-c3ccc(C4CCC(CC)CC4)cc3)ccc2C1 1872261 BCHVKTQMENFXOQ-NYLDSWQDSA-N 361.573 7.337 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)COc3c(C)cccc3C)ccc21 2069888 IARPCCVAJIEDAM-UHFFFAOYSA-N 372.468 5.449 0 40 FKAB CC1CCN(CCCCCOc2ccc(C(C)(C)C)cc2Cl)CC1 3247073 BUHWCKPROHKKOX-UHFFFAOYSA-N 351.962 5.919 0 40 FKAB FC(F)(F)c1cnc(Oc2ccc3c(c2)[nH]c2ccccc23)c(Cl)c1 3456065 ZYEFHWPBMGOLBG-UHFFFAOYSA-N 362.738 6.181 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 4659226 XIELUMGXCBVARM-ZDUSSCGKSA-N 350.289 5.934 0 40 FKAB Cc1ccccc1Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 5023764 FMCMZPLIHJSZMD-NTCAYCPXSA-N 358.872 6.217 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1cc2cc(Cl)ccc2oc1=O 5426522 JAGWEZREVRPDDI-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB C(=C/c1nc2ccccc2n1Cc1cccc2ccccc12)\c1ccccc1 5545402 NNPDEXGGJMFJGW-ISLYRVAYSA-N 360.460 6.408 0 40 FKAB S=C(c1cccc(OCc2ccc(Cl)cc2Cl)c1)N1CCCC1 5860604 KZJXHVFESRMUJS-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB CCOC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 6668508 WXLUTRXINDWNLX-UHFFFAOYSA-N 360.413 5.174 0 40 FKAB Cc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)s1 8298665 PJGRABFRSNQEII-UHFFFAOYSA-N 366.467 5.692 0 40 FKAB CCOc1ccc2c(c1)sc1nc(-c3ccc(OC(F)F)cc3)cn12 12569484 WEFQVQSTZGJLCB-UHFFFAOYSA-N 360.385 5.216 0 40 FKAB O=C(Nc1ccccc1)O[C@H]1CCCC[C@@H](OC(=O)Nc2ccccc2)C1 13407627 SKWHOLRVDNSZNF-KDURUIRLSA-N 368.433 5.185 0 40 FKAB biogenic C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 14084323 SKPCPJJABXYFAQ-LLVKDONJSA-N 360.280 5.088 0 40 FKAB CC(C)Cn1c(-c2cc3ccccc3o2)cs/c1=N\c1ccccc1F 15912882 JPNBNPLVHSNNNC-LNVKXUELSA-N 366.461 5.990 0 40 FKAB Cc1cc2cc(NC(=O)c3ccc(-c4ccccc4Cl)o3)ccc2[nH]1 40072688 BOXHKNUXQQBEEU-UHFFFAOYSA-N 350.805 5.642 0 40 FKAB CC(C)(C)c1ccc(CSc2nnc(Nc3ccccc3)s2)cc1 52513270 IRIWHKRSMDOHNN-UHFFFAOYSA-N 355.532 5.872 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1c[nH]c2ccccc12 56898643 AXTORAVEPMHSGL-UHFFFAOYSA-N 353.381 5.228 0 40 FKAB O=C(Nc1c(F)cccc1F)c1csc(-c2ccc(Cl)s2)n1 57381401 LRYHCKDUJQXLIC-UHFFFAOYSA-N 356.806 5.056 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412601 HCVXHLBRYPTWAB-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB COc1ccc(-c2cnc(CN3CCC[C@H]3c3ccccc3Cl)o2)cc1 65281310 XOOFVCPHQBTSOM-IBGZPJMESA-N 368.864 5.341 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 78458797 ZXUAOENQBVMISB-RBUKOAKNSA-N 353.506 5.380 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344179 NABZKYPCYKVXPR-HUUCEWRRSA-N 350.245 5.134 0 40 FKAB Cc1ccc2c(c1)N1C(=O)c3ccccc3[C@H]1C1=C(O)CC(C)(C)CC1=N2 100631355 AAGWFTBKDXQEOP-NRFANRHFSA-N 358.441 5.415 0 40 FKAB Clc1ccc(NCc2ccc(OCc3ccccc3)cc2)c(Cl)c1 106970899 CVUYJCHGVUUVBD-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC1CCN(Cc2ccc(C(=O)NCc3cccc4ccccc34)cc2)CC1 222868441 XOZXDWPQOROJQU-UHFFFAOYSA-N 372.512 5.002 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222963738 YWQUVJGTSKCPCF-GHTZIAJQSA-N 367.533 5.636 0 40 FKAB Cc1ccnc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225769619 CRUVRYUOMJVBDE-NRFANRHFSA-N 361.514 5.083 0 40 FKAB CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(C)c(C)c1 408561167 GZBUZXNIOOEFAH-MRCUWXFGSA-N 370.543 5.218 0 40 FKAB CCCCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OCC 408625622 XRSZCCSWJGPTMN-UHFFFAOYSA-N 361.869 5.478 0 40 FKAB Cc1cc(C)c(-n2cc[n+](C3CCCCCCCCCCC3)c2)c(C)c1 642742441 HBZOQZIBWFAWQE-UHFFFAOYSA-N 353.574 6.536 0 40 FKAB CCc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C)cc1 875729 ZQERIAMSIAHAIY-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB COc1cc(SC)ccc1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 1432317 KNGYUKXCNGVJTM-UHFFFAOYSA-N 367.470 5.294 0 40 FKAB CSc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 3125846 JURUETQCFZUXDR-UHFFFAOYSA-N 354.478 6.200 0 40 FKAB Cc1ccc(C)c(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 3332236 KNCNSKSYVDONCS-UHFFFAOYSA-N 371.647 5.303 0 40 FKAB CCCCc1ccc(NC(=S)Nc2ccc(N(CC)C(C)C)cc2)cc1 3343494 KHDQVUVGEHEJCP-UHFFFAOYSA-N 369.578 6.073 0 40 FKAB Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2cccc(C)n12 3911596 MBFGXNDIRVJLKM-UHFFFAOYSA-N 353.878 6.077 0 40 FKAB CCCCc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 4666263 GJJICXUPLCPKPE-UHFFFAOYSA-N 357.497 6.190 0 40 FKAB O[C@](/C=C/c1ccccc1)(Cc1cc(-c2ccccc2)[nH]n1)c1ccccc1 5479691 LEJPMTCEIUFHGJ-YFDWJFFGSA-N 366.464 5.220 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 5527794 NONOBDKEMCYOSS-HNNXBMFYSA-N 367.832 5.538 0 40 FKAB CCOc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1OC 5559514 VWLBQHKHSNYOIO-GXDHUFHOSA-N 371.436 6.073 0 40 FKAB CC1=CC(C)(C)N(C(=O)CSc2ccc(Cl)cc2)c2ccc(C)cc21 6216380 AEPYVTOOQZMFPR-UHFFFAOYSA-N 371.933 5.969 0 40 FKAB CCc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12 6544022 FUZUEWHZIJSLDK-UHFFFAOYSA-N 366.873 6.366 0 40 FKAB CCCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 6657337 LAICAOQEUGIPLY-MHWRWJLKSA-N 361.850 5.355 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1SCc1ccccc1 7684815 FGTLZWMFHNKDHU-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB Cc1ccc(CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 8936411 VEPBKCONCIZXFM-UHFFFAOYSA-N 368.527 5.233 0 40 FKAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 10156610 NEOWYXOFPZTDGH-SFHVURJKSA-N 357.457 5.058 0 40 FKAB Cc1c(C(=O)NCCCOCc2ccccc2)oc2c1ccc1ccccc12 15544656 FPHWXCOBRFSOSX-UHFFFAOYSA-N 373.452 5.231 0 40 FKAB CCOC(=O)c1cc(Nc2ccc(OCC)cc2)c2cc(Cl)ccc2n1 15829181 OHSWWDHTUDOXIZ-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB O=C(Nc1cccc(Cl)c1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 18205557 RRSLLQLMRWNJBR-JZAZDWQXSA-N 358.696 5.135 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 21601520 BAMVYVJPRMGBOA-NSHDSACASA-N 368.271 5.016 0 40 FKAB O=C(Cc1noc2ccccc12)Nc1ccccc1SC1CCCC1 25266189 RYFYNSOPSZLWDS-UHFFFAOYSA-N 352.459 5.044 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 44947951 CGNQLASVRGXLCL-OAQYLSRUSA-N 361.485 5.761 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccccc2Cl)[nH]n1 57412305 IIQPBMCVRZWSPZ-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 72212107 JRMUXTAIXITUFU-LJQANCHMSA-N 368.477 5.123 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 72215145 QDFIDWLGSAYJAM-AEFFLSMTSA-N 361.530 5.169 0 40 FKAB CSc1ccc(Cl)c(C(=O)N[C@H](c2ccccn2)C2CCCC2)c1 72303690 STWVXGXQNMVRAC-SFHVURJKSA-N 360.910 5.118 0 40 FKAB CCCCOc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1 96136978 BXRWEGALNGWBGI-UHFFFAOYSA-N 359.429 5.318 0 40 FKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930823 ACKIMFUPMAASSZ-QFGBFBPLSA-N 362.598 5.415 0 40 FKAB Cc1c(Br)cccc1-c1nc2ccc(-n3cccc3)cc2o1 216742992 JDMKJOKQYGCGJP-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1C 219299597 RZGYDZLMYRYXMV-NQIIRXRSSA-N 353.506 5.462 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc2ccccc12 223339328 WEBRILLKJPYECT-HSZRJFAPSA-N 359.469 5.515 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 223845780 BUQHZMBVAXLZIC-INIZCTEOSA-N 373.924 5.165 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COCC(C)C 224741908 OHRDYUFKEUCBHC-UHFFFAOYSA-N 373.518 5.232 0 40 FKAB CCCCc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225128299 AJIYMTUJTKABNS-NRFANRHFSA-N 354.490 5.401 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225826238 PBUKETDZANQDGG-QHCPKHFHSA-N 371.521 5.799 0 40 FKAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccc(C(C)C)cc2)c1 226356562 VSZFCGHXRZPXJB-UHFFFAOYSA-N 363.413 5.329 0 40 FKAB CC(C)(C)OC(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 1889096878 UBCFLPOOXUOBHC-WCZGSDDISA-N 371.521 5.142 0 40 FKAB CC[C@H](c1ccc(OCOC(C)=O)cc1)[C@@H](CC)c1ccc(OC)cc1 1705434 RZWYEKGKFDVTDP-FCHUYYIVSA-N 356.462 5.282 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 1771135 MSOUNCDXDJHOJH-NTCAYCPXSA-N 351.490 5.984 0 40 FKAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1cc(Cl)ccc1O 1916083 MSRLIHRTWYRNON-UHFFFAOYSA-N 370.836 5.131 0 40 FKAB CC(C)c1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 2221556 YBOQMPNSKJBXRE-UHFFFAOYSA-N 358.416 6.352 0 40 FKAB Cc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1F 2246127 LJKCESQMXGDNHL-UHFFFAOYSA-N 372.378 5.222 0 40 FKAB S=C(Nc1ccccc1)N1CC[C@H](c2ccccc2)N1c1ccccc1 3068141 WYNCWEZEMJLRMO-OAQYLSRUSA-N 359.498 5.252 0 40 FKAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)c1c(Cl)nc2sccn12 3241443 NWVAOTRYKUIIKK-UHFFFAOYSA-N 369.833 5.094 0 40 FKAB Fc1ccc(C(Sc2ccc3ccccc3c2)c2ccc(F)cc2)cc1 3427640 IDAZSBPAONTCBC-UHFFFAOYSA-N 362.444 7.000 0 40 FKAB CCC(C(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F 3668033 GAQTXONIXHUVEY-UHFFFAOYSA-N 368.104 5.453 0 40 FKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C(C)=C/c2ccccc2)N3)C1 4545519 FNLHBVZAPGMZFA-HTIQQJFHSA-N 352.503 5.423 0 40 FKAB CCCC[C@@H](CC)CC[C@H](CCC(CC)CC)OC(=O)c1ccccc1 4691844 VOSOOKGSMUKXBQ-GGAORHGYSA-N 360.582 7.425 0 40 FKAB Cc1cccc(CCNc2c(C)c(C)nc3cc(-c4cccc(F)c4)nn23)c1 4966843 QUXNCRVFLLQZMZ-UHFFFAOYSA-N 374.463 5.115 0 40 FKAB Clc1ccccc1SCc1cccc(-c2nc3ccccc3s2)c1 5949222 VUGBRFPQXRQIHN-UHFFFAOYSA-N 367.926 6.909 0 40 FKAB Cc1cccc(-c2nc(SCc3ccc(Cl)cc3Cl)n[nH]2)c1 6207386 XUKBFTXHXNMTEI-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB O=C(C1CCC1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 7273292 PFXQVIFLFJTTLY-UHFFFAOYSA-N 366.461 5.283 0 40 FKAB CCC[C@@H](NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2)c1cccs1 12200114 OTNGQXYBELMXQS-OAHLLOKOSA-N 373.518 5.005 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 14257874 LHMLRLJTOAEKDY-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB COCCCn1c(-c2ccccc2)nc(=S)c2c1-c1ccccc1CC2 26891725 PDGAWOKKWGSGLN-UHFFFAOYSA-N 362.498 5.082 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30860720 AKJLRUUQPNXQKK-YWZLYKJASA-N 373.924 5.672 0 40 FKAB C[C@H]1c2ccsc2CCN1C(=O)CCc1cccc(Cl)c1Cl 31714947 DHEBSOUZZHWLNB-NSHDSACASA-N 354.302 5.133 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@H]1C 36371226 SABPQGKCDGUYAI-HYEUEBQFSA-N 374.609 6.994 0 40 FKAB CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 44085539 KXOIWXHECCTFFH-UHFFFAOYSA-N 363.313 6.267 0 40 FKAB CC(C)c1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1 70462031 NHUUGNYZHUJAOG-UHFFFAOYSA-N 352.434 5.308 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1Nc1ccccc1 72214134 PCKWIYMFCFLGHB-NRFANRHFSA-N 373.456 5.299 0 40 FKAB CN(CC1CCCCC1)C(=O)Cc1csc(-c2ccccc2Cl)n1 78254091 VQFBBWJXSASLAI-UHFFFAOYSA-N 362.926 5.045 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)Cc2coc3ccc4ccccc4c23)C1 100262235 QJGUROOSGHVEBM-KOSHJBKYSA-N 361.485 5.556 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@@H]12 140862039 ZULBOIQTAAUGKN-UEAPCAKCSA-N 374.565 5.510 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 215249512 HFLHWCGGVIQUCO-LZYBPNLTSA-N 361.825 5.024 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3c(F)cccc3F)CCCC2)c1 225860428 MJLFRRJEMYOWEG-UHFFFAOYSA-N 374.500 5.505 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 260658740 BBDWRIDJCXOXPZ-ABSDTBQOSA-N 368.571 5.454 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408622650 QHTRBWCMQXMOAT-UHFFFAOYSA-N 372.468 5.244 0 40 FKAB COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl 408623641 SHVWZPMDGXLDRB-UHFFFAOYSA-N 351.789 5.500 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 409206065 HFRHXYRYRZWEQJ-UHFFFAOYSA-N 355.821 5.327 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)on2)cc1 1775975078 DGIUDFGVOUSCMQ-MLGOLLRUSA-N 365.260 5.180 0 40 FKAB CCCCn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(Cl)cc1 2037853977 PZGIOTBYUINEBP-UHFFFAOYSA-N 354.837 5.369 0 40 FKAB Cc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c2cc1C 852602 ZPNUATSQBGDYLA-UHFFFAOYSA-N 353.491 5.034 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccc(NC(=O)c2cccs2)cc1 884404 IEQWWZBHQAERIE-UHFFFAOYSA-N 372.449 5.406 0 40 FKAB COc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3)c3ccccc3n2)cc1 991982 YFQKUEUVZHCQSQ-UHFFFAOYSA-N 369.420 5.438 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 1241926 TZKWUIMMASWVHN-IBGZPJMESA-N 364.832 5.233 0 40 FKAB CCCCCNc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1780633 NPKXDEFZBNHHLU-UHFFFAOYSA-N 368.550 5.673 0 40 FKAB CCc1cccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 2257184 SXICGFPYCRVUEY-UHFFFAOYSA-N 368.415 5.337 0 40 FKAB Cc1ccc(-c2csc3ncnc(SC/C=C/c4ccccc4)c23)cc1 2263496 HERHKEXDGLRKGQ-VMPITWQZSA-N 374.534 6.472 0 40 FKAB Cc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 3109498 JZVULZBYTZHARF-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB Cc1ccc(C)c(OCCCn2cc(C(=O)c3ccco3)c3ccccc32)c1 3655975 KMJVTWXTLSYZHX-UHFFFAOYSA-N 373.452 5.551 0 40 FKAB Cc1nc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)s1 4392282 PHARPMOZYFNUOJ-UHFFFAOYSA-N 365.886 5.302 0 40 FKAB Cc1ccc(Oc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1 5576692 JPKWJWRVMQUIMQ-UHFFFAOYSA-N 370.452 6.185 0 40 FKAB O=C(CSCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 5736490 COUWIRAGTCPWNY-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB Clc1ccc(CSc2nnc(/C=C/c3ccccc3)o2)cc1Cl 6222601 AQCVRVWEARPXFP-VQHVLOKHSA-N 363.269 5.839 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 6243448 YDOLBJQHIQWRNX-HNNXBMFYSA-N 370.518 5.114 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 6249169 BRDXMOQZJXOEMK-UHFFFAOYSA-N 372.896 5.126 0 40 FKAB S=C(Nc1ccccc1)N(c1ccccc1)c1cccc2ccccc12 6276874 BOWWQTSNEGBGEF-UHFFFAOYSA-N 354.478 6.375 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nccs2)cc1 7985917 NRRQCAQMANDJHM-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc2)cs1 12563289 GIGFLPANFQVJBL-LBPRGKRZSA-N 371.893 5.211 0 40 FKAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1Cl 13815226 YLQULHXJWNBPHB-UHFFFAOYSA-N 359.709 5.442 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c(C)c1 14258351 YPSNFEMWBQJYID-UHFFFAOYSA-N 354.494 5.128 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@@H]2c1cccnc1 14607594 RCXZYLRPBDSIFK-JOCHJYFZSA-N 364.452 5.367 0 40 FKAB COc1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)c2ccc(C)cc2)cc1 16292137 JYDXDVGMCKUTLB-HSZRJFAPSA-N 359.469 5.738 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 18051832 WSWRJRIVRJMOOK-UHFFFAOYSA-N 367.832 5.783 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2Cl)s1 19819674 YIMBOPMZTFOASI-UHFFFAOYSA-N 362.907 5.405 0 40 FKAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCc2ccccc2C1 20238889 PAWUMISUBCQJPX-UHFFFAOYSA-N 373.521 5.319 0 40 FKAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1Oc1ccccc1 26866850 XPJXCAWRFWSZHY-UHFFFAOYSA-N 372.877 5.251 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C 30860209 RCYLPAOURIMCQG-DNQXCXABSA-N 373.496 5.367 0 40 FKAB Cc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1Cl 32119687 MPCAQLWIFOPGIU-UHFFFAOYSA-N 361.872 5.905 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 100224518 PDYASRQCSWRHDB-KZNAEPCWSA-N 362.473 5.012 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCCC2)cc1 219320366 YBKFHUSVCMDAAH-LJQANCHMSA-N 373.880 5.458 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 222658632 ZTPZNCDWPCCPDZ-UHFFFAOYSA-N 367.448 6.203 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Cl 222852504 SXGZIOJMOSAFCZ-HNNXBMFYSA-N 373.880 5.376 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969766 MTXCDYZXZPRPFR-YCRPNKLZSA-N 371.908 5.254 0 40 FKAB O=C(Cc1cccs1)Nc1ccccc1SCc1ccc(Cl)cc1 223746841 PYSGNFKSXBSIMD-UHFFFAOYSA-N 373.930 5.875 0 40 FKAB O=C(CSCc1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc12 224379233 ILZSIDMUYHSCNK-UHFFFAOYSA-N 365.429 5.597 0 40 FKAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3c(F)cccc3Cl)c2N)cc1 225179908 FIKMHJBAYOCITA-UHFFFAOYSA-N 369.749 5.241 0 40 FKAB COc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225503279 PHJASZQOGQCZAB-OAQYLSRUSA-N 362.498 5.080 0 40 FKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C)c1 225742810 CRCYYKVYQGYYHP-UHFFFAOYSA-N 363.542 5.590 0 40 FKAB Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226317836 FAICTENHXMEMCA-UHFFFAOYSA-N 369.589 5.061 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)COc2cccc3ccccc23)cc1 408629277 UPHGWCIUMHNZET-GOSISDBHSA-N 374.484 5.236 0 40 FKAB CCCc1sc(=Nc2cc(C)ccc2C)[nH]c1-c1ccc(OC)cc1 408756225 OTVXVXLYBFFAST-UHFFFAOYSA-N 352.503 5.554 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)CCC3CCCC3)n2)cc1 673742 YWWMJKAFDRZEEW-UHFFFAOYSA-N 356.535 6.017 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2081957 IYMGIJMAWCEFRY-JOCHJYFZSA-N 361.510 6.030 0 40 FKAB CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2265504 FVLLADKOPNDXFP-UHFFFAOYSA-N 373.547 5.011 0 40 FKAB CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 3242199 HOYLKKPHWMLTSI-UHFFFAOYSA-N 373.261 5.184 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)OCc1ccc(Cl)c(Cl)c1 3344099 LPJDTGCJPIPMKR-UHFFFAOYSA-N 364.055 5.586 0 40 FKAB Cc1ccc(Nc2nc(CSc3nc4ccccc4o3)cs2)cc1 3344946 XLXJTDSTNMKGLP-UHFFFAOYSA-N 353.472 5.629 0 40 FKAB Cc1ccc(OCCn2cc(C(=O)c3ccccc3)c3ccccc32)cc1C 3648867 PXVFCZWAVGYOTQ-UHFFFAOYSA-N 369.464 5.568 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)cc2s1 4075719 WKGJTPLWCRZNKV-UHFFFAOYSA-N 358.466 5.448 0 40 FKAB CCOc1cccc2c1OC1(CCCCC1)N1N=C(c3ccccc3)C[C@H]21 4311931 ZWDPDGKPAMSNTP-HXUWFJFHSA-N 362.473 5.289 0 40 FKAB CCc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4657334 CGTKKWKLZCOQGE-LADGPHEKSA-N 354.453 5.491 0 40 FKAB COc1ccccc1-c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1N 4777932 XOAWRVUXJUAMGO-UHFFFAOYSA-N 368.651 5.090 0 40 FKAB CSc1ccc(Cl)c(C(=O)OCc2ccc(-c3ccccc3)cc2)c1 5938659 FMSURGCINKIKPK-UHFFFAOYSA-N 368.885 6.086 0 40 FKAB CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 6076820 CICBWLXOORIYBI-XLNRJJMWSA-N 371.436 5.043 0 40 FKAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)s1 6586913 ZDYOVLMTMLWECG-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(C(C)(C)C)cc1 6936737 BMXZPSNHZJZUMR-OAHLLOKOSA-N 356.535 5.430 0 40 FKAB Cc1ccc(NC(=O)[C@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)cc1 8189158 TWDFLDWNQBAKOK-JOCHJYFZSA-N 371.440 5.237 0 40 FKAB C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9758449 JACQOQDSEQIMPY-YJYMSZOUSA-N 360.860 5.333 0 40 FKAB O=c1cc(-c2cc3cc(Cl)ccc3o2)c2cc3c(cc2o1)CCCC3 11869728 WACRVSTXZRQCMZ-UHFFFAOYSA-N 350.801 5.738 0 40 FKAB biogenic Cc1cc(C)cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 15076718 KYGKLVNRLVZLCE-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB S=c1nc(-c2ccccc2)o/c(=N/C2CCCCC2)n1C1CCCCC1 17126591 QRHQIOYWEQJXOH-LSDHQDQOSA-N 369.534 5.611 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 20453507 SWUNPDJDBVUCDO-JOCHJYFZSA-N 361.485 5.979 0 40 FKAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@@H](C)c3cccs3)c(C)c12 23199997 WOVMCOQLCWKKLU-NSHDSACASA-N 373.547 5.158 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(Cl)cc2)cc1C 27740308 QHJJEMJJORPABE-UHFFFAOYSA-N 355.890 5.865 0 40 FKAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)o1 29885026 LHZBFUGJAFMVIM-GUYCJALGSA-N 353.393 5.074 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Cl 30853776 KKXCXNJPDBUIQU-LJQANCHMSA-N 374.267 5.943 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(F)cc1Cl 71761759 XOAPCISKHGPRSJ-UHFFFAOYSA-N 359.253 5.258 0 40 FKAB Cc1noc2c1[C@H](c1cccs1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102751821 ZXYJJGMUSQXLAA-VLIAUNLRSA-N 362.454 5.652 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)C(c3ccccc3)=C[C@@]1(Cl)C2(Cl)Cl 104355388 YTYROSMTUXHMPY-RYUDHWBXSA-N 374.909 5.916 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1N1CCCC1 107673302 GTZMUWMVSCEHJC-UHFFFAOYSA-N 372.940 5.485 0 40 FKAB CC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914816 PCFLWNUQAQQXOU-RVSUXUMISA-N 358.566 6.297 0 40 FKAB C[C@]12CCC(=C3C=CC=C3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118922996 SIECXYXJFIDLDH-WSLKUVFHSA-N 352.562 6.203 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 216889693 APWSUQHPSACAGX-CSKARUKUSA-N 351.229 5.149 0 40 FKAB O=C(CSCc1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1 219261403 NSCSZJJTCQLLGJ-UHFFFAOYSA-N 359.466 5.019 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc2ccccc2c1 222747084 SBGMBUSBXPTQLB-CSKARUKUSA-N 356.252 5.476 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224959089 OEKHJQGDHSQDQU-UHFFFAOYSA-N 374.827 5.914 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224977127 UAHQZMKAFQMDFD-NRFANRHFSA-N 366.505 5.090 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225365437 USGKTCMWMLYKMV-CYBMUJFWSA-N 350.289 5.366 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C)c3)CCCC2)cc1 225513951 XVKGDQOPJGWDLH-UHFFFAOYSA-N 365.517 5.789 0 40 FKAB CC[C@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 225630379 LSVDGQVZNUWCPX-AWEZNQCLSA-N 366.452 5.261 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc12 225676569 FRJNBBIAZDNRBF-UHFFFAOYSA-N 373.496 6.078 0 40 FKAB CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 248231341 KYBFXPNLJQXJLP-DOHZZZMOSA-N 374.528 5.511 0 40 FKAB Cc1ccc(C)c(NCc2cccc(OCc3cccc(Cl)c3)c2)c1 409121647 XPCZPYGPLRTUJC-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3cccs3)[C@H]1CO2 688071 PSPPFAHPWJTIJI-BTYIYWSLSA-N 363.507 6.033 0 40 FKAB O=C(Nc1ncccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 994539 NBSRSDRLYKIACS-KRWDZBQOSA-N 354.862 5.207 0 40 FKAB FC(F)(F)c1cccc(NCn2c(=S)oc3ccc(Cl)cc32)c1 1065186 HGWQEBBRGOKVHP-UHFFFAOYSA-N 358.772 5.706 0 40 FKAB CC(C)(C)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 1247078 BIGVMANOXWUSBW-UHFFFAOYSA-N 355.441 5.782 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(C)cc4C)ccc3o2)c1 1256416 IKBJWTCVEDEWFC-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB O=C(NCc1ccccc1F)c1ccccc1-c1ccc(C(F)(F)F)cc1 3284142 DQSXPAPZKIASGO-UHFFFAOYSA-N 373.349 5.442 0 40 FKAB Cc1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1C 4950299 RQGGOCDWWOUKKM-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB COc1ccc2c3c(cccc13)O[C@@]21C=Cc2c(ccc3ccccc23)O1 5361454 MHZSFSPIFIHVGH-DEOSSOPVSA-N 352.389 5.653 0 40 FKAB CC(C)Cc1ccc([C@H](C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1 6558988 ZRKIWEVRUVFYFZ-LBPRGKRZSA-N 351.277 5.078 0 40 FKAB FC(F)(Cl)c1cc(-c2ccccc2)nc2c1ncn2-c1ccccc1 6588672 SEDOJTQJUDIIKT-UHFFFAOYSA-N 355.775 5.376 0 40 FKAB CCOc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc1OC 6860034 IUAIJPFZZMLELV-XYOKQWHBSA-N 351.471 5.696 0 40 FKAB CCC[C@@]12CCC3=C(CCc4cc(OC)ccc43)C1=CC[C@H]2OC(C)=O 6891173 OVQXJBAKFUQMPB-DHIUTWEWSA-N 352.474 5.237 0 40 FKAB CSc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 8280564 SRZAGLRYBKXMJR-UHFFFAOYSA-N 365.483 5.037 0 40 FKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1ccccc1 10464363 PQQBHNWSGPWIOJ-KRWDZBQOSA-N 373.456 5.164 0 40 FKAB O=C1C[C@@H](c2ccccc2OCc2ccc(Cl)cc2)c2sccc2N1 12375453 JYFVVWYPEDSTET-INIZCTEOSA-N 369.873 5.455 0 40 FKAB CCOC(=O)/C=C/c1ccc(NCc2c(C)cc(C)c(C(C)=O)c2C)cc1 12733981 AAWFJELZQXATFG-FMIVXFBMSA-N 365.473 5.003 0 40 FKAB O=C(Nc1ccc(F)cc1F)N[C@@H](c1ccc(F)cc1)c1cccs1 12821666 WGRAEPDHDRGPON-KRWDZBQOSA-N 362.376 5.077 0 40 FKAB Clc1cc(Cl)cc(CNc2ccc(OC[C@@H]3CCCO3)cc2)c1 19738234 DACXPKOCFYTQRY-SFHVURJKSA-N 352.261 5.163 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 20457534 PRYDQPUTOXUSAH-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB CN(Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 24778579 QKADVIHQSXXHAK-UHFFFAOYSA-N 370.924 5.286 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1 27921305 RTEGPZOGFGCRAM-UHFFFAOYSA-N 367.537 5.339 0 40 FKAB CCOc1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 59497606 WKTJWPOYZDMBGA-UHFFFAOYSA-N 370.326 6.294 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@@H]1CCc2c(Cl)cccc21 71823395 ZAKIXZSSMDXHIQ-OAQYLSRUSA-N 364.876 5.071 0 40 FKAB C1=C(c2c[nH]c3ccccc23)CCN(Cc2coc(-c3ccccc3)n2)C1 89851337 FNIFBUIEEGRTQL-UHFFFAOYSA-N 355.441 5.112 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 98073068 MZJWABPYVGNEDY-UHFFFAOYSA-N 363.166 5.965 0 40 FKAB O=C(Cc1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 216942529 PYCZOGYSNHGOEX-UHFFFAOYSA-N 351.858 5.712 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224939807 CRSQQEUUGZPISC-CXUHLZMHSA-N 362.517 5.626 0 40 FKAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1 225087176 DXLRQSLIJXKPFF-NRFANRHFSA-N 353.506 5.382 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 225501815 INTOZJQSUCTXCU-UHFFFAOYSA-N 351.833 6.001 0 40 FKAB Cc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225766795 PFUMKHKIAAWWLO-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB Cc1cc(N)c(NC(=O)c2sc3ccccc3c2Cl)cc1Cl 226347253 LSQSCNYRFJJLRC-UHFFFAOYSA-N 351.258 5.351 0 40 FKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1C(F)(F)F 390826241 GEDDYWRGEXZPTH-HNNXBMFYSA-N 367.417 5.348 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)c(C)s1 408578899 BPHMRQPHWCBYDJ-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB Fc1cc(Br)sc1-c1sc(Br)cc1F 575444863 FEFQRVDSNOVCNZ-UHFFFAOYSA-N 360.042 5.280 0 40 FKAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(-n3cccc3)c2)o1 1775996767 IAKYTOWHHVCBNO-NRFANRHFSA-N 362.473 5.390 0 40 FKAB Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1Br 1864136 QWENGZYFDDTESJ-UHFFFAOYSA-N 367.242 5.644 0 40 FKAB CCCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 2079595 NMHMVXLKKDFAAG-UHFFFAOYSA-N 353.849 5.902 0 40 FKAB Cc1ccc(-c2nc3scc(-c4ccc(-c5ccccc5)cc4)n3n2)cc1 2182830 BMDOTIYRUHFEGW-UHFFFAOYSA-N 367.477 6.100 0 40 FKAB Cc1ccc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)cc1C 2679320 SVWSYSFDMZCCIJ-UHFFFAOYSA-N 354.453 6.323 0 40 FKAB Clc1ccc2nc(-c3ccccc3)n(OCc3ccccc3Cl)c2c1 3063551 VZQOMOTXZJPWTG-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB CCc1ccc(C(=O)C[C@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 3112451 DAXQOWGOPTYWBK-QFIPXVFZSA-N 363.888 6.329 0 40 FKAB O=c1scc(-c2cc3ccccc3o2)n1-c1ccc(Cl)c(Cl)c1 3319523 IKDOYZKTGPLFJR-UHFFFAOYSA-N 362.237 5.619 0 40 FKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658733 YUWFRNSTUIWDCZ-UHFFFAOYSA-N 361.470 5.208 0 40 FKAB O=C1CCCC[C@H]1Sc1ncnc2cc(-c3ccc(F)cc3)sc12 5040036 HKFRCVRRYDJYQV-OAHLLOKOSA-N 358.463 5.101 0 40 FKAB c1ccc(COC[C@@H](CSc2ccccc2)OCc2ccccc2)cc1 5947068 IYQJODSKYMOPGT-QFIPXVFZSA-N 364.510 5.581 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(c1ccccc1)c1ccccc1 6053524 FDKMVBLBSQGTLP-UHFFFAOYSA-N 359.513 5.499 0 40 FKAB CC[C@H](C)Oc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6555305 CNWAYKXIMDVWQD-LBPRGKRZSA-N 374.893 5.688 0 40 FKAB Cc1ccccc1OCCn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 6969297 JHQWXAIRTVNDAZ-UHFFFAOYSA-N 361.363 5.082 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1[C@H](C)c1ccccc1 9355404 ZAPJTWFLFOHGKW-MZNJEOGPSA-N 366.464 5.783 0 40 FKAB COc1cc2nc(-c3ccc(C(C)C)cc3C(C)C)oc(=O)c2cc1OC 12619597 OWANLSSTMCFWFH-UHFFFAOYSA-N 367.445 5.119 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(C(=O)c3ccccc3)c(C)c2c1 17135880 MZRSRGMZEFNFOU-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB biogenic Fc1cc(F)cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 17515688 SNZCOBLERQGGET-UHFFFAOYSA-N 356.397 5.566 0 40 FKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c(C)c1 18142010 AJTJBLIFAGTZAF-UIJGJVKASA-N 366.332 5.406 0 40 FKAB Clc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 20025527 KXOLQBXXMWSAMW-UHFFFAOYSA-N 362.845 5.351 0 40 FKAB Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(-c4ccccc4)nc3c12 21801780 VXYOBHVIMKHEEH-UHFFFAOYSA-N 373.847 5.005 0 40 FKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(Cl)c1 22245792 IFXVAKMGQCXRCG-UHFFFAOYSA-N 361.829 5.240 0 40 FKAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3oc4ccccc4c3c2)cc1 22700204 SCFYNSICFWBZJM-HNNXBMFYSA-N 373.408 5.195 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 32818715 ONSSODPJVVAUGL-UHFFFAOYSA-N 358.850 5.333 0 40 FKAB Fc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)cc1 59409107 HXOOUNXOICAIQD-OAQYLSRUSA-N 364.445 5.102 0 40 FKAB Cc1cccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)c1 72229041 QBHQKCSFGCMOGJ-UHFFFAOYSA-N 357.885 5.228 0 40 FKAB COc1ccc(O[C@@H](C(=O)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 80344449 LDBBEFHOMGLLJO-JOCHJYFZSA-N 361.441 5.071 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)c2)oc1C 83996608 SOZCMMULWDUBFN-UHFFFAOYSA-N 359.429 5.309 0 40 FKAB Cc1c(F)cccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 98073323 FZXPBBBSNRPMQP-HNNXBMFYSA-N 361.416 5.107 0 40 FKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1 107043193 MRPMSCFMGMENRI-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1ccc2nc(NC(=O)c3ccc(-c4ccc(C)c(C)c4)o3)sc2c1 107810012 MHHWNWDNTQSQKK-UHFFFAOYSA-N 362.454 5.734 0 40 FKAB CCC(C(=O)Nc1ccc(OC(C)C)nc1)(c1ccccc1)c1ccccc1 225935210 OOVSQNJPRAPIBH-UHFFFAOYSA-N 374.484 5.204 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226343232 JBKHMJMGELWLJB-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB CCN(C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)c1ccccc1F 328592953 GCEGVFPOXIABOQ-UHFFFAOYSA-N 373.431 5.140 0 40 FKAB COc1ccc(/C=C(/C(=O)NC(C(C)C)C(C)C)c2ccccc2)cc1 408908706 YBHVWQQGMLNZGG-RCCKNPSSSA-N 351.490 5.033 0 40 FKAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)c1 408996169 LGFJLFCOBBNSAP-MZYLBHOOSA-N 355.437 5.164 0 40 FKAB CCc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 409118477 NIZRQCNQKPMZBH-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1c(ccc3ccccc13)O2 841158 MXXBBRWOXKNIBO-QHCPKHFHSA-N 357.409 5.377 0 40 FKAB aggregator COc1cc(C)c(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1C(C)C 1070369 YUQOJMQVZGTEKN-WOJGMQOQSA-N 369.848 5.125 0 40 FKAB COc1ccccc1Oc1coc2cc(OCc3ccccc3)ccc2c1=O 1448096 GNGBSJFQUIJSSY-UHFFFAOYSA-N 374.392 5.173 0 40 FKAB C=Cc1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 2118514 XAHHVGDTUZNDKL-UHFFFAOYSA-N 368.432 5.990 0 40 FKAB biogenic CCc1cc(=O)oc2cc(OC/C=C(\C)CCC=C(C)C)c(Cl)cc12 2134070 PQECBVKUBWAOII-OQLLNIDSSA-N 360.881 6.080 0 40 FKAB Cc1ccc(CCCCCCCCCCCc2nc3ccccc3[nH]2)cc1 2270571 LGSJFUPWBADYCF-UHFFFAOYSA-N 362.561 7.167 0 40 FKAB Cc1c(C)c(C)c(COC(=O)NC(Cl)=C(Cl)Cl)c(C)c1C 2577667 PMFPDCBOVWYXMS-UHFFFAOYSA-N 350.673 5.298 0 40 FKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(C)cc23)c(OC)c1 2887196 YDENDKGCPAMZOX-NJNXFGOHSA-N 371.436 5.658 0 40 FKAB CCCC(CCC)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 2961334 NXGFMCWGXFWTFR-UHFFFAOYSA-N 353.491 5.513 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 3114997 ZZKXCJMZFHZBIY-UHFFFAOYSA-N 370.279 5.836 0 40 FKAB COc1ccccc1OC(=O)c1ccccc1OCc1ccc(Cl)cc1 3279374 DGKDKHRCVUNXPT-UHFFFAOYSA-N 368.816 5.147 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc2ncsc2c1 4088340 HFHLADJHUAUTGB-UHFFFAOYSA-N 361.451 5.312 0 40 FKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 4133119 LLSSGDAQRIIWOP-PXNSSMCTSA-N 350.805 5.175 0 40 FKAB CCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 4554810 OVRLQDQVRXYBIR-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB CC(C)(C)N1C(c2ccccc2)=NN(c2ccccc2)[C@H]1c1cccs1 4565098 YVDKOUKMNINLOI-NRFANRHFSA-N 361.514 5.729 0 40 FKAB O=C(CSCc1ccccc1)Nc1ccc2oc3c(c2c1)CCCC3 4694828 VJOGKCQBHLQSOD-UHFFFAOYSA-N 351.471 5.184 0 40 FKAB COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 4698940 JWNPXXCEQGERBW-UHFFFAOYSA-N 352.261 5.272 0 40 FKAB Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccc3c(c2)OCCO3)cc1 4733599 DPDZYLNUKGWEFF-UHFFFAOYSA-N 371.440 5.133 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc(SC)cc3)n2)cc1C 5222748 ADCWDEMPUSNQEW-UHFFFAOYSA-N 370.499 5.101 0 40 FKAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 6128157 GVZASSKQGPUHHU-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1cccc(Br)c1 6345327 JADLGRGVFKYYCX-UHFFFAOYSA-N 372.287 5.333 0 40 FKAB O=C(NC1CCCCCCCCCCC1)c1cc(Cl)cc(Cl)c1 6862786 LNMNBVBPSNRBAZ-UHFFFAOYSA-N 356.337 6.397 0 40 FKAB CCc1cccc(C)c1NC(=O)Cc1csc(-c2cccc(C)c2)n1 7667025 UYPARWXGWVPHKS-UHFFFAOYSA-N 350.487 5.171 0 40 FKAB C[C@H](Sc1nc2cc(Cl)ccc2s1)c1nnc(-c2ccccc2)o1 7816222 DQVZIRUTSLHTSR-JTQLQIEISA-N 373.890 5.853 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 8558424 GMLUINPIZDBHFJ-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1 8986424 LECWUIJOFZKPSG-WZONZLPQSA-N 356.469 5.274 0 40 FKAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C1CCCC1 8992792 JAMVJIRAAFGTHF-UHFFFAOYSA-N 364.493 5.502 0 40 FKAB Fc1ccc(-c2cnc(/C(Cl)=C/c3ccc(OC(F)F)cc3)o2)cc1 11334415 KDMKFJLTZNPVKF-DHDCSXOGSA-N 365.738 5.819 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 13708935 FRIFIUAKQLRVJL-CYBMUJFWSA-N 359.347 5.265 0 40 FKAB O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)cc1)N(C/C=C/c1ccccc1)CC2 13769940 WJIDANGHKXCJLA-TUZBMEMXSA-N 365.492 5.207 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 13942323 XXWNSJXBOKYTRD-QHCPKHFHSA-N 370.427 5.361 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2C(C)C)s1 15840152 JIZNXAVHNLODAX-UHFFFAOYSA-N 356.516 5.485 0 40 FKAB CC(C)OP(=O)(OC(C)C)[C@H](NC1CCCCC1)c1ccccc1F 19708240 MXQIKQOSQUPZTK-IBGZPJMESA-N 371.433 5.790 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312158 WSLJUZKSGQKHKD-LJQANCHMSA-N 373.374 5.655 0 40 FKAB CCn1c2ccccc2c2cc(CN[C@H](C)[C@H](O)c3ccccc3)ccc21 22076206 NAFBMJAIFIWATM-OSPHWJPCSA-N 358.485 5.026 0 40 FKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3)n2)cc1 23391203 HESHFEYIMFHOKT-UHFFFAOYSA-N 369.852 5.085 0 40 FKAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1cccc(Cl)c1 39860631 QABTZCIEXUEQEU-WQRHYEAKSA-N 365.841 5.734 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1cccc(Cl)c1 58016111 BLBFLJDTWJPXHE-GFCCVEGCSA-N 354.302 5.562 0 40 FKAB Clc1ccccc1-c1csc(Nc2ccccc2Br)n1 67321775 BIHXUYDRRBJSHS-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1Sc1ccccc1 72217669 QJZFBTLSWLZXFG-FQEVSTJZSA-N 360.482 5.210 0 40 FKAB O=C(CCc1cccc(Cl)c1)N(Cc1ccsc1)Cc1ccco1 225616964 FHNYWBYZLDCTTF-UHFFFAOYSA-N 359.878 5.156 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCCCC1 225660128 AKJQQDKKOUPTMN-UHFFFAOYSA-N 361.526 5.488 0 40 FKAB CCCc1sc(=Nc2ccccc2C)[nH]c1-c1ccc(OC)c(OC)c1 408756238 OYGPQQVIRAOGRJ-UHFFFAOYSA-N 368.502 5.254 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cccc(Cl)c3Cl)sc2C)c(C)c1 409044586 WAUOIQXWBPTFMS-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB CCCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 409093501 ADUQVBDQGQWLCJ-UHFFFAOYSA-N 357.910 5.609 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2F)c1C 409117171 QLROICSGRBXMPJ-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 1889096877 UBCFLPOOXUOBHC-MZSWFSNMSA-N 371.521 5.142 0 40 FKAB Oc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1 892463 MXHOLRCSMZKMPM-UHFFFAOYSA-N 353.230 5.041 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(Oc2ccccc2)c1 1506164 LNJDNMOTFCXGAQ-UHFFFAOYSA-N 372.449 5.855 0 40 FKAB Cc1cccc(C(=O)c2ccccc2Cc2cccc3ccccc23)c1C 1656975 HLCLKJLAGPYKSX-UHFFFAOYSA-N 350.461 6.278 0 40 FKAB O=c1oc(-c2ccccc2F)nc2scc(-c3ccc(Cl)cc3)c12 2060366 JQYCDCVDUUABCO-UHFFFAOYSA-N 357.793 5.376 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc2ccccc2o1 3355115 ASWBEKGQZYPJIL-UHFFFAOYSA-N 360.847 5.524 0 40 FKAB CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NC(C)(C)C)c2C1 3426934 WNMXHWIYHJZHKM-HNNXBMFYSA-N 352.522 5.304 0 40 FKAB Cc1csc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 3428783 KDUBZDJBZDGGKM-CQSZACIVSA-N 354.500 5.238 0 40 FKAB CCCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 4902421 KHYIIXYXDQYEES-UHFFFAOYSA-N 359.878 5.986 0 40 FKAB CCSc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 5241514 KRXUHLMBCBSFBX-UHFFFAOYSA-N 358.463 5.314 0 40 FKAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 5477893 BSGAWCAYVINDJQ-UHFFFAOYSA-N 350.274 5.081 0 40 FKAB O=C(CSc1cc(Cl)ccc1Cl)NC12CC3CC(CC(C3)C1)C2 6080535 WPCRHKKUQCBVEJ-UHFFFAOYSA-N 370.345 5.171 0 40 FKAB Clc1ccc2oc(SCc3cn4cc(Cl)ccc4n3)nc2c1 6161247 ASSANLZZNQRNNE-UHFFFAOYSA-N 350.230 5.075 0 40 FKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1Cl 6532165 KCWJGMFDQKIQHH-CQSZACIVSA-N 369.921 5.711 0 40 FKAB Cc1c(C)n(C)c2ccc3c(-c4ccccc4)cc(-c4ccccc4)nc3c12 6659148 JSWVFRMPELGSFD-UHFFFAOYSA-N 362.476 6.677 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 6790549 SGFGBIKYTFTFLK-UHFFFAOYSA-N 361.470 5.187 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 7097060 WVODSHVBWGHTJF-HFMPRLQTSA-N 367.448 5.878 0 40 FKAB O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccccc1Cl 11854207 DAPNZGIGFXMVEX-UHFFFAOYSA-N 363.800 5.291 0 40 FKAB biogenic Cc1nc(N[C@H](C)c2ccccc2Cl)c2c3c(sc2n1)C[C@@H](C)CC3 13057288 MSJPETBQYNLPPF-NWDGAFQWSA-N 371.937 5.951 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 20106205 ALDDXRFFDFPDQU-MOPGFXCFSA-N 367.533 5.554 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1cnn(Cc2ccccc2Cl)c1 21843301 XUSWIPZRWJLMFJ-UHFFFAOYSA-N 367.880 5.269 0 40 FKAB O=C(Oc1ccccc1Cl)N1c2ccccc2Sc2ccccc21 27529768 SAPYBABKMFNJMT-UHFFFAOYSA-N 353.830 6.142 0 40 FKAB CC(C)(C)[C@H]1CCc2c(c(-c3ccco3)nc3c(-c4ccccc4)cnn23)C1 35323959 CEIQREFDKPTNBA-KRWDZBQOSA-N 371.484 5.807 0 40 FKAB CN(Cc1ccccc1NC(=O)Cc1ccccc1Cl)C1CCCCC1 36719048 FFCYARDVOXYTQD-UHFFFAOYSA-N 370.924 5.286 0 40 FKAB Cc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc12 41306717 ACBKBAGIGYNDOY-UHFFFAOYSA-N 353.727 5.666 0 40 FKAB CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 59498108 NCWLEAZHVHUGOX-HSZRJFAPSA-N 370.496 5.751 0 40 FKAB Cc1ccc2nc(-c3ccc(Br)cc3Br)[nH]c2c1 73638180 NCXNZCVAIXRVIY-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB Cc1ccc(NC(=O)N(CCc2cccs2)Cc2cccnc2)cc1C 75154746 CGVFGXDAEIYVGT-UHFFFAOYSA-N 365.502 5.037 0 40 FKAB Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)cc(C)c1Br 96234362 MMPBLNGOUJZHGU-UHFFFAOYSA-N 358.279 5.197 0 40 FKAB Cc1cc2c(cc1C)N[C@@H](/C=C/c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102931559 DJEBTNYIGCJNSF-VYENPZKTSA-N 372.512 6.516 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969965 MTXCDYZXZPRPFR-VFNWGFHPSA-N 371.908 5.254 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc2c(c1)CCCC2 223017635 OPLGGRCGVIRYKU-JOCHJYFZSA-N 367.558 5.375 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)CCCC2 223018785 LIAXENCYQXRAJX-HRAATJIYSA-N 353.531 5.314 0 40 FKAB Cc1cccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)O)c1 225130489 PESUNHKPIKDSQN-HXUWFJFHSA-N 364.466 5.221 0 40 FKAB O=C(Cc1cccc2ccccc12)N1CCc2cc(-c3ccncc3)ccc21 225639438 LPRUEOVRPYYTOP-UHFFFAOYSA-N 364.448 5.034 0 40 FKAB CCOc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807119 FYTYYDUOQJWSPV-UHFFFAOYSA-N 356.535 5.128 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 227145778 HOGQOGVSEHVXEL-VQHVLOKHSA-N 370.811 5.282 0 40 FKAB CCCSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 408749833 JHDQOVZAOYBYOG-UHFFFAOYSA-N 362.907 5.704 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 409171865 CKNDHHFMSXLPSR-UHFFFAOYSA-N 359.513 5.798 0 40 FKAB COCc1ccc(CNc2nc3cc(C)ccc3n2-c2ccc(C)cc2)cc1 1616041500 WOLYCJUMKNPWRF-UHFFFAOYSA-N 371.484 5.401 0 40 FKAB c1ccc([C@H]2N=C(c3ccc4ccccc4n3)O[C@@H]2c2ccccc2)cc1 1911947635 RLOADAOBQOTJID-DHIUTWEWSA-N 350.421 5.494 0 40 FKAB Cc1cc2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)[nH]c2cc1C 1041642 WDWPHHWMUPTXMW-UHFFFAOYSA-N 359.212 5.260 0 40 FKAB CC(=O)O[C@H]1C(c2ccccc2)=C(c2ccccc2)O[C@H]1c1ccccc1 1707631 PRDNSCQNLIWGBQ-ZEQRLZLVSA-N 356.421 5.258 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1)CO3 2113058 AZYNGDJQIWPTEQ-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic COc1ccccc1[C@@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccco1 2296214 GXIGDOSVBBYTLJ-OXJNMPFZSA-N 369.892 5.814 0 40 FKAB c1ccc2c(CSc3ncnc4sc5c(c34)CCCC5)cccc2c1 2349556 ZEZGRPSEJDHBFL-UHFFFAOYSA-N 362.523 6.016 0 40 FKAB Cc1cc2sc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2cc1Cl 4703828 UYYBZZDSFYOAFD-UHFFFAOYSA-N 358.894 5.910 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 5947103 SUSSVFJAEUIOTN-OVCLIPMQSA-N 363.844 5.571 0 40 FKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 6116886 QGDSQKIGJAXTRR-UHFFFAOYSA-N 367.242 5.396 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 6339065 FZTDMVGPPQWUSP-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB Cn1cc([C@H]2C3=C(CCCC3)C(=O)N2Cc2cccs2)c2ccccc21 6391916 IKCJYKUAFJVIHU-OAQYLSRUSA-N 362.498 5.194 0 40 FKAB Cc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(C)c1O 6508947 MNPMYZWHQOHSDC-ONEGZZNKSA-N 360.240 5.740 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1OC 6555325 KHRUIMGMEQVAIJ-NSHDSACASA-N 352.261 5.768 0 40 FKAB COc1ccc(C)cc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 7504104 QSRNREUADMIDBJ-OAQYLSRUSA-N 371.440 5.255 0 40 FKAB CC(C)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 10329505 ZGFYOLGBXVSSPU-UHFFFAOYSA-N 350.289 5.366 0 40 FKAB Cn1/c(=N\C(=O)c2cccc3ccccc23)sc2c3ccccc3ccc21 11852840 JTPZVHMSHWJENO-WCWDXBQESA-N 368.461 5.287 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Cl)cc2)cc1 11914556 DBTLHHDYBOTNBB-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB O=C(CCC1CCCCC1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12377358 PGZICMLLKZWLMQ-DJOCHQMASA-N 373.540 5.760 0 40 FKAB O=C(c1ccc2c(c1)CCCC2)N(Cc1ccco1)Cc1cccs1 12886649 BPNPVYYXPQCIHP-UHFFFAOYSA-N 351.471 5.063 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccc3cccnc3c2)N1c1ccccc1 20428800 SAKVPLPIUHKJJU-JOCHJYFZSA-N 351.409 5.006 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1nc(-c2cc3ccccc3o2)cs1 22479655 MUBWDZSFXNCBTK-UHFFFAOYSA-N 369.833 5.854 0 40 FKAB CCC(CC)C(=O)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27913981 NSLYNTUMXZNYBE-UHFFFAOYSA-N 369.465 5.386 0 40 FKAB O=C(OCc1ccccc1Cl)c1ccc(COc2ccc(F)cc2)o1 28578014 OWDFDHVRNMPMFJ-UHFFFAOYSA-N 360.768 5.008 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30850833 JFYFPUWIIZFVSL-WIYYLYMNSA-N 367.533 5.636 0 40 FKAB O=C(OCc1csc(-c2cccs2)n1)c1cc(F)c(F)cc1Cl 32671866 AIQPKYRXNXXWAZ-UHFFFAOYSA-N 371.817 5.160 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1ccc(F)cc1)C1CC1 32865624 HTKZBIJWWFLJFS-UHFFFAOYSA-N 368.839 5.141 0 40 FKAB O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1c(F)cccc1Cl 49027990 SPIMMWYVZVLZAY-UHFFFAOYSA-N 365.795 5.070 0 40 FKAB COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 51355837 XSVJXRGRTWXAPG-UHFFFAOYSA-N 362.429 5.227 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)c1 59351416 WZQVNTSPIRDBOA-FQEVSTJZSA-N 357.497 5.703 0 40 FKAB CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 80344287 LLAYMJPUPQJSLM-DLBZAZTESA-N 350.245 5.134 0 40 FKAB CC1(C)Cc2ccccc2/C(=C/C2=NC3(CCCCC3)Cc3ccccc32)N1 102459779 BOFXCSVGZDDUQH-KQWNVCNZSA-N 370.540 5.700 0 40 FKAB CC(C)c1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 102564585 LOVYBPWYHCHIQW-IBGZPJMESA-N 350.853 5.111 0 40 FKAB C[C@@H](CNC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 223443297 MMFOLZISWLLBOL-ZDUSSCGKSA-N 368.329 5.147 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2)cc1 225508581 BIYFFILYZNESQF-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB O=C(CCc1ccc(F)cc1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225509829 ODXONQAPLBOJRF-HXUWFJFHSA-N 367.464 5.101 0 40 FKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)c(C)c1 225671076 XTTXSLPRWHLBLV-HXUWFJFHSA-N 369.505 5.325 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccc(C)cc1 225679555 IQCXNOUPRZGRBY-DHIUTWEWSA-N 365.517 5.299 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408617081 BJZXLBMYVAXLDL-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1C 663206 JCIDMVMLTGMUKN-UHFFFAOYSA-N 372.468 5.425 0 40 FKAB O=C(NCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 892386 RUASOJDRWRXHDX-UHFFFAOYSA-N 372.855 5.485 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 943047 VEDNGAIZUDRCSI-DHZHZOJOSA-N 354.862 5.039 0 40 FKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1[C@@H](C)CCC2 986067 YBRGMZYLLPQNSO-LBPRGKRZSA-N 374.531 5.174 0 40 FKAB CO[P@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(Br)cc1 1250242 GXANEENDZKQGIC-VOMJYIIZSA-N 367.179 5.035 0 40 FKAB c1ccc(C2C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1 1721794 RJWNMNWMVUOVHV-UHFFFAOYSA-N 360.500 7.135 0 40 FKAB CCCCOc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 1787834 LNLSRAKVZCUSSG-UHFFFAOYSA-N 368.260 5.190 0 40 FKAB CC(C)Cc1nc2sc3c(SC(C)C)ncnc3c2c2c1CCCC2 1804886 WYGTWJHBIFOOPW-UHFFFAOYSA-N 371.575 5.817 0 40 FKAB COc1ccc(-c2cn3cc(-c4ccc(C)cc4)c4c3n2CCCC4)cc1 2337647 FDIOPCFAJJEMNA-UHFFFAOYSA-N 356.469 5.728 0 40 FKAB COc1cccc(Nc2nc(-c3ccccc3)nc3c2oc2ccccc23)c1 2415776 PQGDCUYZXLKJET-UHFFFAOYSA-N 367.408 5.795 0 40 FKAB O=C(CCc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 2516726 YIRCCXRTFVWQHQ-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB Cc1ccc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1C 2623884 IUNMOIGTRMJTQO-UHFFFAOYSA-N 355.290 5.044 0 40 FKAB O=C(O)[C@@H](Sc1nc(-c2ccccc2)c2ccccc2n1)c1ccccc1 3210156 DDPJSROAAAQFMY-FQEVSTJZSA-N 372.449 5.215 0 40 FKAB Clc1ccccc1CSc1ncnc2scc(-c3ccccc3)c12 3352118 PQJJVEDSIDFKDT-UHFFFAOYSA-N 368.914 6.304 0 40 FKAB FC(F)(F)c1ccnn1-c1nc(-c2cc(Cl)ccc2Cl)cs1 3406269 WAJYLYPZSRGWAV-UHFFFAOYSA-N 364.179 5.321 0 40 FKAB CN(C)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 4138632 KQHUXGPGKUETLP-UHFFFAOYSA-N 373.481 5.282 0 40 FKAB CC(C)c1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4555580 BOVAWBRJQMNTHF-LJQANCHMSA-N 369.534 5.067 0 40 FKAB C[C@H]1C[C@@](C)(C(=O)NCc2ccco2)[C@H](c2ccccc2)c2ccccc21 4852545 ALRCIZCYZVAYTB-VXWZWFMZSA-N 359.469 5.241 0 40 FKAB Cc1cc(CSc2ncnc3cc(-c4ccc(F)cc4)sc23)no1 5320939 NISXNQZKSPNOQL-UHFFFAOYSA-N 357.435 5.086 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1 6495083 RCVNRODMMJZVKI-UHFFFAOYSA-N 371.676 5.438 0 40 FKAB Cc1ccc2nc(NC(=O)c3ccc(COc4ccccc4)o3)sc2c1 6946836 XVQOZZUHQCQDCG-UHFFFAOYSA-N 364.426 5.029 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 7511526 IBQIPVNLKZSLHP-UHFFFAOYSA-N 360.693 5.768 0 40 FKAB C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C(C)(C)C)cc1 8221419 CSWGJOWTLXRPDU-LBPRGKRZSA-N 364.917 5.824 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 8739710 DXBFAJMHHJSELD-UHFFFAOYSA-N 365.245 5.156 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 11340661 JEBOOWWVBJFUOE-JTQLQIEISA-N 374.720 5.907 0 40 FKAB Cc1cc(N2CCCC2)ccc1NC(=O)CCCc1c[nH]c2ccccc12 11770258 WURJKDJYDCXQCH-UHFFFAOYSA-N 361.489 5.038 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1 13689063 AOAKWIZRUIDDJO-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 14258343 NYCOYQOQECZCMZ-UHFFFAOYSA-N 351.833 5.947 0 40 FKAB Cc1c(NC(=O)c2cccnc2Cl)cccc1-c1nc2ccccc2o1 16250100 UOOZJCFBGQDNJZ-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccccc2C(F)(F)F)c(C)c1 17073043 LOQJOVICTLZNAA-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB CCCCCCOc1ccccc1CNc1cccc(O[C@H](C)CC)c1 19737561 ZZMUHTHQUKMTDG-LJQANCHMSA-N 355.522 6.435 0 40 FKAB Cc1cccc(Nc2ccc(-c3ccc(Nc4cccc(C)c4)cc3)cc2)c1 21300210 ONKCIMOQGCARHN-UHFFFAOYSA-N 364.492 7.458 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc(C)c1Cl 41157043 MZJAGQFZDVPNDT-OAHLLOKOSA-N 368.864 5.219 0 40 FKAB CCOc1ccc([C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48253469 HPOMUMZFIUOCAB-SFHVURJKSA-N 354.475 5.139 0 40 FKAB Cc1ccc([C@H]2C(CN(C)C)=C(c3cccs3)Oc3ccccc32)cc1 71405260 HUVWGTPFVDNZKZ-JOCHJYFZSA-N 361.510 5.554 0 40 FKAB COc1ccc(C[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1F 95962094 XHOXREILDQZVDX-STFLBKPXSA-N 361.265 5.151 0 40 FKAB CCC[Sn](CCC)(CCC)CCc1ccncc1 195774374 NWUJCKZMJJAYDI-UHFFFAOYSA-N 354.126 5.303 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222604018 HRLKAJOAEYXDOW-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(Cl)cc1Cl 222979120 CHLNESIEHDEGEO-GOSISDBHSA-N 366.288 5.084 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1 223854171 NLQKRVUVQAUHGU-UHFFFAOYSA-N 365.454 5.312 0 40 FKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC 224413935 GBSRDVAMQUNFQM-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1CSc1ccccc1 224649244 QOYKJWBZZFXDPH-UHFFFAOYSA-N 369.530 5.440 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC 224725848 QINQYNWZSUZBOX-UHFFFAOYSA-N 369.505 5.778 0 40 FKAB CCC[C@H](C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191776 TVABPEXGBSPPQT-LBPRGKRZSA-N 365.955 5.361 0 40 FKAB Cc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1C 225809773 DFZWCDPLYOTBAR-UHFFFAOYSA-N 356.510 5.241 0 40 FKAB Cc1ccnc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225873747 NVGKBCLPHZUUGF-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB Fc1c(F)c(F)c(-c2nc3cc(Cl)cc(Cl)c3o2)c(F)c1F 226293957 TZDLQZDPGJTLNJ-UHFFFAOYSA-N 354.061 5.497 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226343331 BVACYRQANOIADX-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(Cl)ccc2Cl)c1 228956986 QGETZAPMNYTXKN-UHFFFAOYSA-N 353.249 5.770 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccccc2Cl)c(C)c1 409118155 SPJSSVQUUYWARC-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCCn1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 703982 KGLVLYRLTACKCU-GOSISDBHSA-N 369.468 5.120 0 40 FKAB Cc1cc(C)cc(Oc2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)c1 940016 RRDHFVHLSYJYPF-UHFFFAOYSA-N 366.413 5.154 0 40 FKAB Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCCCC4)n3n2)cc1 1341235 QRNDNAPADYZNKC-UHFFFAOYSA-N 372.447 5.193 0 40 FKAB COc1ccccc1[C@]1(CCN[C@@H](C)c2ccccc2)CCOC(C)(C)C1 2151564 KPEPVCCCQXCJGC-YADARESESA-N 367.533 5.263 0 40 FKAB biogenic C/C=C/C(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C 2266512 XPIUOFLVTLOMFE-VOTSOKGWSA-N 361.557 5.981 0 40 FKAB O=C(NC1c2ccccc2-c2ccccc21)[C@H](c1ccccc1)C1CCCC1 2353652 SQKMEGJOMVTRDE-XMMPIXPASA-N 367.492 5.847 0 40 FKAB Fc1ccccc1-c1cc(-c2cc3ccccc3o2)nc2ccc(Cl)cc12 3343311 NFZGIDGSWFDJFQ-UHFFFAOYSA-N 373.814 7.108 0 40 FKAB O=C(CCCc1ccccc1)Nc1ccc(-c2nc3cccnc3s2)cc1 4062987 FXSBTEIZHARNGW-UHFFFAOYSA-N 373.481 5.320 0 40 FKAB O=C1C[C@@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 4578043 QAIAFVZYJFEFRC-INIZCTEOSA-N 353.215 5.043 0 40 FKAB CC(C)c1ccc(CNc2n[nH]c(NCc3ccc(C(C)C)cc3)n2)cc1 4703233 LJHRELPNRUJWEG-UHFFFAOYSA-N 363.509 5.276 0 40 FKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1cccc2ccccc12 4788348 GEPYGDSDXRTPJA-KPCPBYSCSA-N 374.480 6.003 0 40 FKAB Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 5003328 WKAWBDSPPWUEHY-PDGQHHTCSA-N 363.800 5.253 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5460505 WXXUDHMZGZRWAQ-VWNXMTODSA-N 367.496 6.306 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5471475 OIGSGTNXTOPYBY-UHFFFAOYSA-N 351.368 5.020 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 6223271 ZIHJMZRIDVBYSD-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB Cc1cc2sc(NC(=O)/C=C/c3ccc(Cl)cc3)nc2cc1Cl 6826341 YQCXNXGYWCJYPI-QPJJXVBHSA-N 363.269 5.563 0 40 FKAB COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OC(F)F 8321229 ZYZMJDDGGFDQME-XVNBXDOJSA-N 351.736 5.262 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)ccc2c1 8341881 BWXNQYFJBZBKOH-KRWDZBQOSA-N 374.484 5.191 0 40 FKAB COc1cc(/C=C/c2ccc3cc(C)ccc3n2)cc(Cl)c1OC(C)C 15349127 IIBJZWQORKDKMD-SOFGYWHQSA-N 367.876 6.163 0 40 FKAB COc1ccc2c(C(F)(F)F)cc(SCc3ccc(F)cc3)nc2c1 16227853 RJCMPGVJGCACQY-UHFFFAOYSA-N 367.367 5.694 0 40 FKAB Clc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1 27023424 UPZJNNBIMPJFFH-UHFFFAOYSA-N 353.255 5.987 0 40 FKAB CCOc1cc(C(=O)N(C)c2ccccc2)cc(-c2ccccc2)c1OC 32816241 TXFICCOFSCJIOX-UHFFFAOYSA-N 361.441 5.038 0 40 FKAB Cc1nc(Cc2nc(-c3ccc(NC(=O)CC(C)C)cc3)cs2)cs1 32825899 JGYDBVVLVUACFP-UHFFFAOYSA-N 371.531 5.150 0 40 FKAB Cc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)n1 33869764 XTMFCVWSUVRVNU-UHFFFAOYSA-N 361.297 6.051 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 38856056 SRXFNIMZKAIERA-IBGZPJMESA-N 370.924 5.116 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(C)c(C)c1)C(C)(C)N2 100682755 IIMARKXHTOLCIF-LSDHQDQOSA-N 366.555 6.295 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118933716 PRTAHSZPJNARHZ-IWMXCVPLSA-N 372.549 5.476 0 40 FKAB COc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 225259023 UNXQBGHBYQEBBP-UHFFFAOYSA-N 361.441 5.367 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)NC4CCCCCCC4)cc3)nc2c1 225264449 VGGMIHVDFCEYMS-UHFFFAOYSA-N 361.489 5.381 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 225497051 LHTOQDWADSMFAP-OAQYLSRUSA-N 370.562 5.892 0 40 FKAB CCOc1ccccc1NC(=S)NCCCc1cccc2ccccc12 225808257 SOBHFEQGISEATJ-UHFFFAOYSA-N 364.514 5.158 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2ccccc12 225837131 SLBNGPGBLLDDIE-JOCHJYFZSA-N 355.478 5.162 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cn1 225863293 AUBVEVCNWKWEAB-UHFFFAOYSA-N 372.896 5.364 0 40 FKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc(F)cc1 409112527 GQYNKECDWSZLPZ-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB CCCc1nc(COc2ccccc2)c(C(=O)O)cc1-c1ccccc1F 585265708 YQVIFKLDCVPCMY-UHFFFAOYSA-N 365.404 5.117 0 40 FKAB CCc1ccccc1OC(=O)c1ccc(-c2ccc3ccccc3c2)s1 586562446 GXUGIHGMDHLDGD-UHFFFAOYSA-N 358.462 6.350 0 40 FKAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1cc2ccccc2s1 675008097 ZXQLTRAALSOKBA-HNNXBMFYSA-N 353.468 5.118 0 40 FKAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 666440 AAOUIXJFEULGKK-SFHVURJKSA-N 366.873 5.393 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccccc2s1 794873 FODUAVCDXJCWCS-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB C[C@H](C(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 1057630 PWOQWDIELJQRNZ-ZWKOTPCHSA-N 357.453 5.164 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 1256145 GIINTMDVMNZVJH-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(C)c1 1256195 WSKIWCRAMUYGTC-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB Cc1cc(C)cc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 1327206 JTAZCXQOLBOXNH-UHFFFAOYSA-N 365.502 5.021 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(C)cc1C 1339967 CSKNALAGSCTHDX-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 3050982 ARUCLCDIFMFIOU-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 3349279 ZCBZTNMRYCCAOX-UHFFFAOYSA-N 364.445 5.246 0 40 FKAB COc1ccc(CNCC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1 4073654 ZHEVIZJQOHGJNM-DHIUTWEWSA-N 361.570 5.433 0 40 FKAB biogenic Fc1ccc([C@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)cc1 4315175 UVFYZIHHLGEGLO-OAQYLSRUSA-N 368.814 5.974 0 40 FKAB CCc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 4358985 XTEBNRWPJRYNHU-UHFFFAOYSA-N 358.441 5.062 0 40 FKAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](SC(C)=O)CC[C@H]12 4758887 RVOGPLZAOZWWPL-BIRZXAFVSA-N 372.530 5.116 0 40 FKAB CC1=C(C)[C@@H](c2c[nH]c3ccccc23)N(CCc2ccc(Cl)cc2)C1=O 4775467 UBCMYCBLBBXVAS-NRFANRHFSA-N 364.876 5.284 0 40 FKAB CCc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 4970856 FFUXNJIBIYYVBK-UHFFFAOYSA-N 360.482 5.566 0 40 FKAB Clc1ccc(OCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 5545379 XLYWAWGLSMFGQF-XNTDXEJSSA-N 374.871 5.939 0 40 FKAB CCCCCC(C)(C)NC(=S)N(C1CCCCC1)C1CCCCC1 5860060 UOEZJCXQXHKJFW-UHFFFAOYSA-N 352.632 6.187 0 40 FKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 6570350 INFCOTAAOFCAMX-KRWDZBQOSA-N 352.478 5.107 0 40 FKAB Cc1ccsc1[C@@H]1Nc2ccccc2[C@H]2c3[nH]c4ccccc4c3CCN21 6674699 RMSNLCWEXPLUNX-JTHBVZDNSA-N 371.509 5.610 0 40 FKAB O=C(NCc1cccs1)c1oc2ccccc2c1COc1ccccc1 6790661 BTNMMVMFGLDCON-UHFFFAOYSA-N 363.438 5.003 0 40 FKAB CC(=O)N(c1ccccc1)c1nc(CSc2ccccc2F)cs1 6905242 GKXDNKVAQCAHPK-UHFFFAOYSA-N 358.463 5.259 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1Cc1ccccc1 7344841 PRQSYVGCIGMVGU-UHFFFAOYSA-N 353.824 5.251 0 40 FKAB C[C@@H](Nc1nc(-c2ccc(N3CCCC3=O)cc2)cs1)c1ccccc1 8296525 DPHFIDCWYOQCAW-OAHLLOKOSA-N 363.486 5.110 0 40 FKAB Cc1nc2c(Cl)cccc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8717547 KFGVTCJOFFWGIG-QKKBWIMNSA-N 358.913 5.303 0 40 FKAB COc1ccc(-c2csc3ncnc(N[C@H](C)c4cccs4)c23)cc1 12981931 SAAORASYVPMRJC-GFCCVEGCSA-N 367.499 5.602 0 40 FKAB O=C(/C=C\c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 17023885 RIEYGJHONRBCAJ-KAMYIIQDSA-N 361.828 5.223 0 40 FKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 18211469 GSONVHVRQDFREG-SZPZYZBQSA-N 371.436 5.312 0 40 FKAB c1ccc(CCOc2ccc(NCCc3cccc4ccccc34)cc2)cc1 19738288 YIKVKSYBPLKHEM-UHFFFAOYSA-N 367.492 6.116 0 40 FKAB Cc1c(Cl)ccc2sc(NC(=O)COc3ccccc3C(C)C)nc12 28284492 MCNGYHVGXBRTLA-UHFFFAOYSA-N 374.893 5.399 0 40 FKAB CN(C(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1 29507272 FGMGQMIEOGLAGG-UHFFFAOYSA-N 374.465 5.397 0 40 FKAB C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=C[C@@H]2O 71789077 YWHIUZLVKVDQAM-KEOOTSPTSA-N 360.497 5.259 0 40 FKAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)s1 78870144 RGJKNNHSUKMMHJ-LLVKDONJSA-N 371.333 5.083 0 40 FKAB Cc1c(C2CCNCC2)c2ccccc2n1Cc1c(F)cccc1Cl 97673666 HGLHVLPBFJPKGD-UHFFFAOYSA-N 356.872 5.258 0 40 FKAB Br[C@]12CC3CC(c4ccccc4)(C1)C[C@](Br)(C3)C2 100858006 HDZZLPCGDPLRGN-AHNOJICISA-N 370.128 5.189 0 40 FKAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=N[C@H]2c2ccccc2)CCC1 102661762 OHOSKCJWMSYNHI-IBGZPJMESA-N 374.469 5.256 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 106975391 CGWRBEWZRXHPRL-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB COc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 107019448 DXTFYUUGBSZNNJ-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 118916660 RLHIRZFWJBOHHD-QTECUETRSA-N 368.649 8.194 0 40 FKAB biogenic CC(C)Oc1ccc(CCCNC(=O)c2ccccc2SC(C)C)cc1 219655154 SZFZHYDJTKLLPM-UHFFFAOYSA-N 371.546 5.337 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)CCCSc1ccc(Cl)cc1 222688833 ONMWWQNNVCVIEA-MRXNPFEDSA-N 361.938 5.350 0 40 FKAB CCCc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 223446147 JXUCLKDAXSDODJ-UHFFFAOYSA-N 359.469 5.115 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882296 SWSLZNISJYMAOH-HNNXBMFYSA-N 373.758 5.035 0 40 FKAB C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(F)cc1 225474376 RDFIMEZHRAHLFD-AWEZNQCLSA-N 358.482 5.195 0 40 FKAB O[C@H](c1cccc(Br)c1)c1ccc2c(c1)Cc1ccccc1-2 226296612 PGJUPSBCOWKGRV-HXUWFJFHSA-N 351.243 5.102 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408546917 HHCNVYZDJASDJN-FYWRMAATSA-N 373.521 6.248 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OCC 408624221 VAAVTDRTXGJTGV-UHFFFAOYSA-N 365.832 5.227 0 40 FKAB CC(C)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccsc1 1565519154 AUAFGFWINYCOSF-UHFFFAOYSA-N 363.482 5.080 0 40 FKAB O=C1CCCC[C@@H]1[C@@H](Nc1ccc(Br)cc1)c1ccccc1 704437 SRCJEGCCEVROGN-HKUYNNGSSA-N 358.279 5.362 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 799702 LTVOSOSZZONGTA-HXUWFJFHSA-N 364.832 5.120 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c1 1022530 JFEXBBUUAPQPJA-XERBYJISSA-N 353.465 5.539 0 40 FKAB aggregator COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)c(N)cc2N)cc1 1714431 RXBPXGIEMLRJMB-LQIBPGRFSA-N 372.468 5.209 0 40 FKAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2116336 HIAJCGFYHIANNA-JMIQYFGYSA-N 374.565 5.427 0 40 FKAB CC(C)(C)c1cc(CSC(=O)c2ccccc2)cc(C(C)(C)C)c1O 2262098 WBMDLLSZIVMNPX-UHFFFAOYSA-N 356.531 6.061 0 40 FKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccc(F)cc3)sc21 2414246 HWPVRXDETRFDKV-UHFFFAOYSA-N 365.433 5.095 0 40 FKAB CCCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 2634756 MYBJOQRGNFIYNU-UHFFFAOYSA-N 366.486 5.017 0 40 FKAB O=C(c1cccc(Cl)c1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 4306624 FLNPMRVWDWXCPZ-OAHLLOKOSA-N 372.902 5.455 0 40 FKAB Cc1sc2nc(/C(Cl)=C/c3c(F)cccc3Cl)[nH]c(=O)c2c1C 5264193 NWDMROGGFLJRFP-WDZFZDKYSA-N 369.248 5.131 0 40 FKAB Cc1ccc(C[S@@](=O)c2ccccc2-c2nnc(-c3ccccc3)o2)cc1 5339223 HGLBBGSNHXJSHO-MHZLTWQESA-N 374.465 5.020 0 40 FKAB CCCCCCc1c(C)c2cc(Cl)c(OCC=C(C)C)cc2oc1=O 5548426 CDBIIPPJEAVIME-UHFFFAOYSA-N 362.897 6.223 0 40 FKAB Cc1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1 5593300 KDLSKZHSYJGDRO-UHFFFAOYSA-N 374.225 5.200 0 40 FKAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)o2)cc1C 5804884 KPIGOFDGWOHGME-UHFFFAOYSA-N 364.879 5.043 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 7073161 KTIVWTWFAUTFQR-CQSZACIVSA-N 368.502 5.444 0 40 FKAB Brc1ccccc1-c1nnc(SC/C=C/c2ccccc2)o1 7205308 KHFOJZHVTLLLKJ-RMKNXTFCSA-N 373.275 5.305 0 40 FKAB CCOc1cc(CNCc2ccccc2F)ccc1OCc1ccccc1 8324802 MXZLNRZEAWUNGN-UHFFFAOYSA-N 365.448 5.093 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccc(F)cc3)ccc12 9659905 KCRJSXRTKYRMDX-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB biogenic CCC1CCC2(CC1)SCC(=O)N2c1ccc(Oc2ccccc2)cc1 12419123 RGACHMXHFMZMMI-UHFFFAOYSA-N 367.514 5.855 0 40 FKAB CCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 12637221 LFDQZQXFJOZTSS-SFHVURJKSA-N 361.489 5.055 0 40 FKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(Cl)c1 12893075 ZYTZQKOKTHXGHJ-UHFFFAOYSA-N 368.868 5.104 0 40 FKAB Cc1ccc(CN(Cc2ccncc2)Cc2[nH]c3ccccc3c2C)cc1 13989337 KRRDEDNICPWBTN-UHFFFAOYSA-N 355.485 5.382 0 40 FKAB CCCCn1nc(C)c(/C=C/C(=O)Nc2c(C)cc(C)cc2C)c1Cl 14426436 AYZZPMFRAMNHFP-CMDGGOBGSA-N 359.901 5.222 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1SC(F)F 14603117 BJAMILSDMLKJRB-UHFFFAOYSA-N 360.385 5.217 0 40 FKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CC2)c(Cl)c1 16525841 CEKSCIWQWQPLPN-UHFFFAOYSA-N 372.295 5.978 0 40 FKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cc1 22245795 BZCQSIOOYHLLJZ-UHFFFAOYSA-N 361.829 5.240 0 40 FKAB COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25586431 HMZHNFLAEYLLKZ-USDJYLPVSA-N 374.871 5.276 0 40 FKAB C[C@H](NCc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 28427947 RPQSCAQQIFGLOF-SFHVURJKSA-N 374.915 6.194 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)cc1 33505480 RRVZFOQFTYSOMY-UHFFFAOYSA-N 370.452 5.872 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462064 CFZSCVOMUHIHBS-UHFFFAOYSA-N 358.825 5.373 0 40 FKAB Clc1cc(Cl)cc(-c2nc3ccc(Br)cc3s2)c1 216750130 GDLMCSYNUHIFKM-UHFFFAOYSA-N 359.075 6.033 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1C 219047259 RSXDBVLKTRYNJB-GCJKJVERSA-N 361.485 5.491 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 219514257 XPIJQYCNPIVSGT-KRWDZBQOSA-N 353.462 5.031 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222814424 RDUFMCAKKMOSGZ-UHFFFAOYSA-N 369.917 5.682 0 40 FKAB CC(C)(C)c1ccccc1O[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225090799 DSGQSYSGYFTKSW-QGZVFWFLSA-N 367.272 5.366 0 40 FKAB CCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225613881 XKVFIPZXKSCILS-QFIPXVFZSA-N 355.478 5.026 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225718275 IGKFCAMJNZOOLM-KSFYIVLOSA-N 361.526 5.406 0 40 FKAB Cc1cc(N)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 226346905 VMPPFGHZOQKVBS-UHFFFAOYSA-N 350.849 5.001 0 40 FKAB Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)o1 253497908 ZMDCSLTVAOWENP-LCUZVQNPSA-N 368.561 6.375 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 711045 NMLDMJRWJYCYGL-PWSUYJOCSA-N 352.183 5.235 0 40 FKAB CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 809229 HFNHOHBQIJMYGV-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB Cc1nc(Oc2ccc3ccccc3c2)c2c3c(sc2n1)C[C@H](C)CC3 1465798 IGRODHRCACZHHS-CYBMUJFWSA-N 360.482 6.070 0 40 FKAB CCN(CCO)Cc1c(-c2ccccc2)oc(-c2ccccc2)c1Cl 1592054 WGXAWTJJQFNVIJ-UHFFFAOYSA-N 355.865 5.081 0 40 FKAB CCc1cccc(CC)c1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1 1777362 ZTSBSCMKCDAOJW-UHFFFAOYSA-N 373.496 5.804 0 40 FKAB Cc1cccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 1883660 WYQJJFXLNGQDNE-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccccc21 2286539 PZQKPPXOKTZINC-UHFFFAOYSA-N 372.276 6.437 0 40 FKAB CC[C@H](C)n1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2426466 MVHWFFPTCLFIOI-HNNXBMFYSA-N 358.489 5.915 0 40 FKAB Clc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)cc1 2689431 FQNGKLIDFQDQID-UHFFFAOYSA-N 369.855 5.905 0 40 FKAB CCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 2753125 LKEZUNQXIIXQLG-CQSZACIVSA-N 365.539 5.347 0 40 FKAB COc1ccc(CNCC[C@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 4042691 NMEXONRNWNXLNU-QHCPKHFHSA-N 355.522 5.402 0 40 FKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2ncsc2c1 4088480 NRCFAUJQRDDIKY-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB O=C(CCC1CCCC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4659811 TXYIVUMERFFBDE-UHFFFAOYSA-N 370.880 5.501 0 40 FKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)C(Cl)(Cl)Cl 5705049 MZUNDWHHDVCRLE-UHFFFAOYSA-N 371.676 5.272 0 40 FKAB COc1cc(CNCC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 6883577 CGDZXNZEEXHIRV-UHFFFAOYSA-N 368.304 5.327 0 40 FKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1C 7504062 IFAZWCSNAJPXIG-NRFANRHFSA-N 355.441 5.555 0 40 FKAB Cc1ccc2oc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2n1 8798600 NZNRPNZCRPAOBB-UHFFFAOYSA-N 370.452 5.088 0 40 FKAB Fc1ccccc1-c1nnc(SCc2cccc(Cl)c2)n1C1CC1 9638707 JTHDBKDHIUNSDZ-UHFFFAOYSA-N 359.857 5.365 0 40 FKAB Cc1ccc2cccc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)c2n1 11917465 VHFAIWHOTJWWLF-UHFFFAOYSA-N 364.832 5.812 0 40 FKAB COc1ccc(OCCCSc2cc(-c3ccccc3)nc(C)n2)cc1 12017003 FKCRBZAPOYDOGS-UHFFFAOYSA-N 366.486 5.022 0 40 FKAB CCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1C 12555174 YXGRVQSNYWTWFL-UHFFFAOYSA-N 371.405 5.529 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1 12559623 ZOUQTPPIGLPWOG-KYFAXANOSA-N 372.449 5.490 0 40 FKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)Cc2ccccc2-4)C1 12610386 YOQXNFPCJHUYGU-CYBMUJFWSA-N 357.478 6.252 0 40 FKAB CCc1cccc(CC)c1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13679691 PBUDBIHLTLSRRX-UHFFFAOYSA-N 372.317 5.060 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 14257950 VBFYPYMKQJBJFE-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1F 14493531 KQVOJSKZZBJKTO-UHFFFAOYSA-N 351.446 5.287 0 40 FKAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1 14654614 VTDPIQVSWDGMSA-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB CCCSc1nnc2c3c(C)c(C)cc4c3n(c2n1)C(C)(C)C=C4C 14671885 NOPCJYBPAPHKBH-UHFFFAOYSA-N 352.507 5.250 0 40 FKAB CC1=Nc2c(-c3ccc(Br)cc3)c(C)nn2[C@@H](c2ccco2)C1 17075837 IQGFWPSYNFJRIB-OAHLLOKOSA-N 370.250 5.300 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 17076379 ZDIHYORCERNUMM-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB COc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 20492343 HLEFGFPRYLYWFG-UHFFFAOYSA-N 365.454 5.218 0 40 FKAB O=C(COc1ccccc1)N(Cc1cccs1)c1cccc(Cl)c1 27662237 ADZOZMZCMVHDMH-UHFFFAOYSA-N 357.862 5.014 0 40 FKAB Cc1ccc(-c2nc(CSCc3nc(-c4ccccc4)no3)co2)cc1 32778905 QHWGIFGMQBYOFW-UHFFFAOYSA-N 363.442 5.133 0 40 FKAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1sc2ccccc2c1Cl 32972075 BRHLDTBNJNOJHZ-SECBINFHSA-N 361.816 5.358 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ccncc3)c2c1 32978331 JWGMQWXAPYORJD-KRWDZBQOSA-N 367.452 5.096 0 40 FKAB CC[C@@H](C)N1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 85430379 DYYQRBZMEFVULR-KUHUBIRLSA-N 350.437 5.436 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 118917340 NOTIQUSPUUHHEH-KTDKTIPYSA-N 360.538 5.166 0 40 FKAB biogenic Cc1cc(C)c([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C 223398451 ODFKLIUWUSIEJP-INIZCTEOSA-N 361.938 5.376 0 40 FKAB Cc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 223693680 ZGDDUYGMEFXXOO-UHFFFAOYSA-N 355.787 5.547 0 40 FKAB Cc1ccccc1CSCCNC(=S)Nc1cccc(OC(C)C)c1 225362413 PGFPAHOGHCPACE-UHFFFAOYSA-N 374.575 5.002 0 40 FKAB Cc1cc(C)c(C(=O)Nc2ccc(Br)c(Cl)c2)cc1C 225644096 AASHHFKLAXUYPK-UHFFFAOYSA-N 352.659 5.280 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1 225695589 GNGPZOCZVREGLL-UHFFFAOYSA-N 363.542 5.527 0 40 FKAB Cc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1C 225843047 WSXNXMICVYBOBA-UHFFFAOYSA-N 358.938 5.713 0 40 FKAB O=C(Nc1cccc(F)c1)c1cc(Cl)ccc1OCc1ccccc1 408586510 NLVWMSQGTJFACM-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB CCCc1sc(Nc2ccc(OC)cc2)nc1-c1ccc(OC)cc1 879438 UMKZQDMQNXLSKL-UHFFFAOYSA-N 354.475 5.523 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Cl)cc1 1401510 PZGRNSDZOULOIN-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 2275884 RYOXZSFVJMWZII-ZRDIBKRKSA-N 353.805 5.261 0 40 FKAB COc1ccc(-c2nc(-c3ccc(C(C)C)cc3)[nH]c2-c2ccccc2)cc1 2309641 ASJJBLWYCMRNQW-UHFFFAOYSA-N 368.480 6.543 0 40 FKAB CSc1ncccc1C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 2663466 QHJKJAHHDVREOZ-UHFFFAOYSA-N 350.443 5.157 0 40 FKAB COc1ccc2ccc3c(c2c1)C=CC(c1ccccc1)(c1ccccc1)O3 3028303 OJGAPOUOIVYMQW-UHFFFAOYSA-N 364.444 6.198 0 40 FKAB CCCOc1ccc(C(=O)CCCC(=O)c2ccc(OCCC)cc2)cc1 3068334 TUHVXMZSMBSKQH-UHFFFAOYSA-N 368.473 5.500 0 40 FKAB c1ccc(-c2nc3ccccc3nc2-c2ccc3c4c(cccc24)CC3)cc1 3844991 MPMPYCWQWCYSLZ-UHFFFAOYSA-N 358.444 6.216 0 40 FKAB biogenic S=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)C[C@@H]1CC=CCC1 4180509 GUXQLQTVIRSWQC-GOSISDBHSA-N 370.949 5.895 0 40 FKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccc(F)c1 4678191 ASXPXRMMTQEOMC-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB O=C(CNc1cccc2ccccc12)Nc1ccccc1-c1ccccc1 5689352 PJGPATIYERBQMZ-UHFFFAOYSA-N 352.437 5.557 0 40 FKAB Cc1ccccc1OP(=O)(Nc1ccccn1)Oc1ccccc1C 6208367 LAECHDJVNDSAQI-UHFFFAOYSA-N 354.346 5.376 0 40 FKAB CCOc1ccc2nc(SCC(=O)c3c[nH]c4ccccc34)sc2c1 7141087 XGXCEVMAFJDSQX-UHFFFAOYSA-N 368.483 5.151 0 40 FKAB Cc1ccc(Cc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 9198864 UTTKSHIDAZTMOY-UHFFFAOYSA-N 365.285 5.568 0 40 FKAB C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1ccc2c(c1)CCCC2 12693181 UTHKXZLOEAWGCM-SNVBAGLBSA-N 354.302 5.425 0 40 FKAB CCCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1 13785888 HOEKDZNKGJOMRU-XDOYNYLZSA-N 356.466 5.397 0 40 FKAB Cc1nc2c(cc(Oc3ncnc4sccc34)c3ccsc32)s1 15131471 LUPGRQIXKUIEEO-UHFFFAOYSA-N 355.469 5.616 0 40 FKAB Cc1ccc2c(C)c(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)oc2c1C 15833248 LUEPWXDJWRIPCR-JTQLQIEISA-N 354.475 5.192 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)c(C)c3)c2C)cc1C 17075314 ICLBJEKUKHTSOD-UHFFFAOYSA-N 366.508 6.748 0 40 FKAB O=C1CS[C@@H](c2ccccc2Cl)N1c1cccc(C(F)(F)F)c1 17197978 YKPUZOGHYPQXKL-HNNXBMFYSA-N 357.784 5.137 0 40 FKAB Cc1ccc([C@H](Cc2ccsc2)NCc2cn(C)c3ccccc23)nc1 19215609 DXWMBMCGUPLGHH-NRFANRHFSA-N 361.514 5.017 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(c1ccccc1)c1ccccc1 20460982 SDGAXYNCZRWQAC-HSZRJFAPSA-N 373.496 5.367 0 40 FKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21576352 QOHYTDNCUJVLHC-MRXNPFEDSA-N 370.468 5.246 0 40 FKAB Cc1ccccc1-c1nc2c3c(C)c(C)n(C4CCCCC4)c3ncn2n1 21801884 BUOVOUGJQJSBRF-UHFFFAOYSA-N 359.477 5.176 0 40 FKAB Cc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1Cl 22237727 BUOKPWJDCFAQHE-UHFFFAOYSA-N 371.893 5.434 0 40 FKAB Cc1cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc(C)c1Cl 22508947 VYUVVSSQVQMOBY-IBGZPJMESA-N 359.897 5.239 0 40 FKAB COc1cccc(Nc2c(-c3ccc(C)c(OC)c3)nc3cc(C)ccn23)c1 35622675 KWPVGYCPADEUTO-UHFFFAOYSA-N 373.456 5.379 0 40 FKAB Cc1ccc2nc(Nc3nc4c(Cl)c(Cl)ccc4s3)oc2c1C 57352950 DUTNLWGOUXMUQF-UHFFFAOYSA-N 364.257 6.105 0 40 FKAB O=C(/C=C/c1ccsc1)N[C@H](c1ccc(Cl)cc1)c1cccs1 58356519 LUPUYMMIUBZJDO-BYVAAYKLSA-N 359.903 5.382 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C 72215230 NVNWYYCPAHNRHS-FUHWJXTLSA-N 361.530 5.167 0 40 FKAB CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215563 CDOLGYMFRHXHKG-LJQANCHMSA-N 373.541 5.313 0 40 FKAB Cc1cc(C)c2nc(-c3cccc(I)c3)sc2c1 73635567 RQWTXLNLSGOSCX-UHFFFAOYSA-N 365.239 5.185 0 40 FKAB CC1(C)[C@H]2C[C@H]1CC[C@H]2CCOC(=O)COc1ccc(Cl)cc1Cl 104176549 MMNWATKUJSJOBZ-GUTXKFCHSA-N 371.304 5.378 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl 106964255 VIUQWLQTJIIWQD-UHFFFAOYSA-N 362.659 6.187 0 40 FKAB Cc1ccc(COc2cccc(CNc3ccc(F)c(Cl)c3)c2)cc1 106974879 JNGSYAYKCFMKSM-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 216373941 SOTYUYKPNPMVCA-MRXNPFEDSA-N 354.302 5.181 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12 222906672 LMGOCDJKFJZVLG-QFIPXVFZSA-N 361.485 5.933 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223467247 XHMPBHWWWHRYSH-TZIWHRDSSA-N 353.506 5.264 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 224146069 XNYWIMIEHISHCN-KRWDZBQOSA-N 361.485 5.048 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc2c1 225261203 WZDCIQLEFTXDPT-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480152 WRWZQPHZPLJEAL-UHFFFAOYSA-N 362.429 5.370 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225524427 POGQEWGAJQAWJG-UHFFFAOYSA-N 371.908 5.806 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3cc(-c4cccc(C(=O)O)c4)ccc3O2)c1 257201792 AJBNDJRBHJCARJ-VWLOTQADSA-N 372.464 5.687 0 40 FKAB CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OCC 409119551 QAYIOSHQDTZGCD-UYRXBGFRSA-N 365.473 5.027 0 40 FKAB CCOc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 978170 WBVIOCSZUUSCPQ-UHFFFAOYSA-N 353.462 5.151 0 40 FKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 985048 HUYVXGOCSAVZBG-UHFFFAOYSA-N 372.515 5.043 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)nc2c1 1413947 GJOZSVIGSPBQJG-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1c(Cl)cccc1Cl 1416447 WTGNROQMLGDYKU-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB CC(=O)N(CC[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1)Cc1ccco1 2109289 VZERSZHVJOABSL-FGZHOGPDSA-N 363.542 5.276 0 40 FKAB biogenic CCCn1c(SCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2289720 OSPSWTVWRLMMMY-UHFFFAOYSA-N 368.546 5.190 0 40 FKAB CCCCSc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2396508 OVIYRKLFZWMSGZ-UHFFFAOYSA-N 373.547 5.291 0 40 FKAB CSc1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 2625586 JGFHALGERAVYHR-UHFFFAOYSA-N 351.855 5.668 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C12CC3CC(CC(C3)C1)C2 4628344 SYNMRUVBOFMBHY-UHFFFAOYSA-N 372.468 5.650 0 40 FKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1C 4853203 BHEVTVPJSCZFFQ-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 4974882 DRRJWMXJIVWKKW-AERYXGCMSA-N 356.506 5.160 0 40 FKAB CCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)o3)=NN12 5016907 WIRVTZIMLLILAE-UEUGHCDMSA-N 350.462 5.428 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccc(Cl)cc2)(CCC(C)C)CCO1 5297408 CVNUMWUDLRWDOU-FGZHOGPDSA-N 365.989 6.221 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(Br)c1 5485041 PLKMBQMFCHQTKA-UHFFFAOYSA-N 368.230 5.494 0 40 FKAB Clc1ccc2[nH]c(COc3cc(Cl)c(Cl)cc3Cl)nc2c1 5695846 KPBQPRNNQXYORA-UHFFFAOYSA-N 362.043 5.756 0 40 FKAB CC(C)c1ccc(C2=Nc3ccc(Cl)cc3C(c3cccnc3)=NN2)cc1 6077019 DZBWMFRYILPAGS-UHFFFAOYSA-N 374.875 5.292 0 40 FKAB CCC(=O)c1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 6789562 QLTKVWHSOYDEEQ-UHFFFAOYSA-N 367.489 5.544 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 7224754 VENRFGNGRAOHIU-IBGZPJMESA-N 374.484 5.843 0 40 FKAB FC(F)(F)c1cnc(N[C@@H](c2ccccc2)c2ccccn2)c(Cl)c1 12557900 IDWRKHVTPSIWCO-INIZCTEOSA-N 363.770 5.350 0 40 FKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2cccc(Cl)c2)o1 12599455 ODAMOGGJKWHVJF-LBPRGKRZSA-N 358.850 5.062 0 40 FKAB Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccc(F)cc1F 14103614 QMTCLDTUVFVFMW-UHFFFAOYSA-N 370.424 5.412 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12 14207590 YKXCRLMMSBLLKO-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 14397461 FLWJNHRSZNIWPD-LBPRGKRZSA-N 366.288 5.697 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccccc3)cc12 16993241 DJTKQWOPMNKCNP-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB biogenic CCN(Cc1cccs1)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 29013445 ITAWJDIVTCDIIJ-MDZDMXLPSA-N 356.878 5.012 0 40 FKAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(Cl)cc2Cl)o1 39383577 XAEQTEBXQHFPRV-DUXPYHPUSA-N 362.006 5.114 0 40 FKAB Cc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 49005232 TWHBPUJJENJRPV-QGZVFWFLSA-N 374.488 5.005 0 40 FKAB O=C(NCc1csc2ccccc12)N1CCC[C@H]1c1cccc(F)c1 84593140 RNPUXEZIKFJMTH-SFHVURJKSA-N 354.450 5.087 0 40 FKAB O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 96136868 QAPYHRBGTYHAIQ-UHFFFAOYSA-N 369.823 5.956 0 40 FKAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1ccccc1C(F)(F)F 100405983 LCPOVXJHGGDUSW-RIYZIHGNSA-N 370.783 5.357 0 40 FKAB O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206879913 NZGYLLSZPAYIKF-GOSISDBHSA-N 352.865 5.231 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1 225337804 ACGRYTPOGHJOHA-IBGZPJMESA-N 364.316 5.810 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1 225866293 HDVLEWHOYBBUDD-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(N4Cc5ccccc5C4=O)c3)nc2c1 226287327 MWPRMQMODQGMAD-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccccc1F 409116052 LKGKCFLUUMIKLI-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB CCc1ccc([C@@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N2C(C)(C)C)cc1 2177892 HFPWHXPHRIZNNQ-QFIPXVFZSA-N 363.505 5.079 0 40 FKAB COC(=O)c1c(C)n(CCC2CCCC2)c2c1cc(O)c1ccccc12 3624145 RPIXPVXFZBYPQG-UHFFFAOYSA-N 351.446 5.175 0 40 FKAB CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccccc3)c2c1 4610395 BMYHSWNVMSIRQP-UHFFFAOYSA-N 366.464 6.025 0 40 FKAB Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)s1 5267010 TVNZMDZAFQVION-UHFFFAOYSA-N 372.415 6.140 0 40 FKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc2c(c1)CCC2 5269001 QZIWVVIPUOWMJO-UHFFFAOYSA-N 368.889 5.133 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 6202953 YBGBPNOSTVKJSZ-SGTLLEGYSA-N 372.509 5.857 0 40 FKAB Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 6414910 QYEZWIVBGVCIKZ-UHFFFAOYSA-N 368.864 5.081 0 40 FKAB C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 7524894 PKGYWWLTMWTNSK-CQSZACIVSA-N 356.263 5.560 0 40 FKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 8475547 QWQUNMISJVLDHU-UHFFFAOYSA-N 373.283 5.390 0 40 FKAB COCc1c(C(=O)Nc2ccccc2-c2cccs2)oc2ccccc12 8944999 MNZGLFIEFLXSMG-UHFFFAOYSA-N 363.438 5.560 0 40 FKAB O=C(c1ccccc1F)N1c2ccccc2Sc2ccc(Cl)cc21 12020140 FKYJYIJICPZBLW-UHFFFAOYSA-N 355.821 5.922 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1occc1COc1ccccc1 12619720 KKFGSXMZPNOKCV-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB COc1cccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3C)C2)c1 13629143 NJYYMAYDQXIEKG-HXUWFJFHSA-N 363.486 5.124 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 16161572 HMVSARCOKDLXDD-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB C1=C(CCn2c(-c3cccs3)nc3nc4ccccc4nc32)CCCC1 20392491 PZOPZWAEMCKCLN-UHFFFAOYSA-N 360.486 5.599 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 22996537 WREADTZJFUYKNV-UHFFFAOYSA-N 368.664 5.025 0 40 FKAB Cc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 24543493 NBWDNEWENUPIPS-FOCLMDBBSA-N 353.425 5.119 0 40 FKAB CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 30754659 URPRWAIABFNHFZ-UHFFFAOYSA-N 356.274 5.123 0 40 FKAB Oc1c(-c2ccccc2)s[n+]2nc(-c3ccccc3)c3ccccc3c12 36625087 JXZXZAQQZWXZHK-UHFFFAOYSA-O 355.442 5.075 0 40 FKAB CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640206 ZEZHPTYTCOOIMP-AZKZNFPZSA-N 354.534 6.071 0 40 FKAB COc1cccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)c1 38486440 NCZVZPLGEZHYCV-UHFFFAOYSA-N 361.470 5.006 0 40 FKAB O=C(Nc1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1 39897553 ZUIJVMZKIYNYEK-UHFFFAOYSA-N 350.599 5.101 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=S)N[C@H](C)c1ccccc1 44195358 HENDZJJHKNKNBP-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 44904242 AXGMYKOSPSWVBT-DEOSSOPVSA-N 373.496 5.381 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1 46086121 PEOANOLRMHLSEL-UHFFFAOYSA-N 364.445 5.390 0 40 FKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59267345 XHGUPOBQTWASQC-NSHDSACASA-N 357.759 5.073 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72215117 GPXIWYQIHNNMMD-SJLPKXTDSA-N 361.530 5.167 0 40 FKAB ClC(Cl)(Cl)c1nc(-c2cccc(Oc3ccccc3)c2)no1 95471945 JBLDOQJBNYQBOM-UHFFFAOYSA-N 355.608 5.356 0 40 FKAB CC(C)(C)c1ccc(NC(=O)N2CCS[C@H](c3ccccc3)CC2)cc1 211144317 PSDRRRYMLSJBRU-FQEVSTJZSA-N 368.546 5.696 0 40 FKAB Cc1c(C=O)c2cc(OCc3ccccc3)ccc2n1Cc1ccccc1 217774361 SINFHQFIGWUOGM-UHFFFAOYSA-N 355.437 5.390 0 40 FKAB CCCOc1ccccc1CCCNC(=O)c1ccccc1SC(C)C 219656357 CCRPMOZQPJDLGX-UHFFFAOYSA-N 371.546 5.339 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)cc1 222899704 APVURQZFHVFDOF-VXKWHMMOSA-N 353.506 5.291 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 222968280 PPPOGYJWUWWUSS-SFTDATJTSA-N 353.506 5.364 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1C(C)C 223390143 CDRBJNYJEDZZIF-QGZVFWFLSA-N 365.517 5.497 0 40 FKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1CCCCCC1 225353431 OIGKBROAKAVVFE-UHFFFAOYSA-N 361.736 5.112 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccccc3Cl)CCCC2)c1 225844340 QHSKOGIAMZTNHC-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB CCOc1ccc(NC(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 390826200 FJHXHKGQMFFVQY-KRWDZBQOSA-N 358.488 5.119 0 40 FKAB C[C@@H](CC(=O)c1ccc(Br)cc1C(F)(F)F)CC(C)(C)C 575362623 LQFPKNCLJBYITB-JTQLQIEISA-N 365.233 6.113 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1 624807 VUGCAMSIPFUOSL-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB C/C=C/c1ccc(Oc2nc(C)nc3sc4c(c23)CCCC4)c(OC)c1 752949 OSMZAIOWCRFBJG-QPJJXVBHSA-N 366.486 5.713 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2s1 1511748 YUYIIJOFLAIHAM-UHFFFAOYSA-N 372.449 5.088 0 40 FKAB Cc1c(Cl)cccc1-n1sc2c(c1=S)-c1ccccc1NC2(C)C 2291665 OYOGSIADGHZHLW-UHFFFAOYSA-N 372.946 6.558 0 40 FKAB Cc1cc(Nc2nc(Cl)c(Cl)cc2Cl)n(-c2ccccc2)n1 3366159 HSVQBLJJVBOREI-UHFFFAOYSA-N 353.640 5.280 0 40 FKAB CCOC(=O)c1ccccc1C=Cc1ccccc1C(=O)Oc1ccccc1 3845496 WGGPZKBXIFYJAR-UHFFFAOYSA-N 372.420 5.253 0 40 FKAB biogenic Cc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 3851805 WFBOMZWUZOIPFV-SANMLTNESA-N 362.476 6.504 0 40 FKAB biogenic COc1ccc(-c2nc3ccccc3c(C(=O)O)c2-c2ccccc2)cc1 4176742 FRJGKUNNNHAZQB-UHFFFAOYSA-N 355.393 5.276 0 40 FKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 5383901 QJUIKXIBLBPDBD-UHFFFAOYSA-N 365.498 5.452 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 6262862 OBSJXOHHXJDAJJ-UHFFFAOYSA-N 360.866 5.237 0 40 FKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 6328569 YLSIGESBTQQDQM-UHFFFAOYSA-N 363.910 5.497 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 6349345 ZJKNWBBFZYAOMI-UHFFFAOYSA-N 372.896 5.370 0 40 FKAB CC(C)(C)CC(C)(C)NCc1cccc(OCc2ccc(Cl)cc2)c1 6857417 HRNDKPPJNTZNIV-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB CC(C)Sc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 10253316 WRYPMFJLKDJTLE-UHFFFAOYSA-N 360.529 5.624 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccnc1Cl 14580401 GMVBGKXZTRSXNB-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1cccc(C)c1 16349253 GPXJCRMAGMBTHC-IBGZPJMESA-N 361.485 5.433 0 40 FKAB Clc1cccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 16493581 GMGMLQBYIBYLRC-IBGZPJMESA-N 361.832 5.592 0 40 FKAB Clc1ccccc1-c1nc(CSC2=Nc3ccccc3CS2)no1 23007268 KRIZFHBVHXMYHT-UHFFFAOYSA-N 373.890 5.558 0 40 FKAB CCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2C)cc1OCC 30855248 GIHPZGCBQKDCBN-UHFFFAOYSA-N 361.869 5.017 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccncc3)c2c1 32978329 JWGMQWXAPYORJD-QGZVFWFLSA-N 367.452 5.096 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 44904786 WXHQWNHGKZPTFG-GOSISDBHSA-N 373.374 5.655 0 40 FKAB Cc1ccc2c(c1)CCCN2C(=O)c1nc(-c2ccc(Cl)cc2)oc1C 48251465 BUSPJDMDBHBXFP-UHFFFAOYSA-N 366.848 5.205 0 40 FKAB Cc1ccc(-c2nnc3nc(-c4ccc(F)cc4)cn3c2-c2ccc(C)o2)o1 57742596 KKMBGSUPDPVZRJ-UHFFFAOYSA-N 374.375 5.067 0 40 FKAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72214344 KAQQKJYFOBXLAK-IBGZPJMESA-N 367.493 5.156 0 40 FKAB O=C(c1cccc2cccnc12)N1CCCC[C@@H]1c1nc2ccccc2s1 78800598 XQMSYCROQLDJGC-GOSISDBHSA-N 373.481 5.212 0 40 FKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 96570034 OOQOOHGBMXFAAU-OYRHEFFESA-N 371.436 5.312 0 40 FKAB Cc1ccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1 100683574 SFUWDBKYNKBXQU-QHCPKHFHSA-N 355.462 6.246 0 40 FKAB in-man Clc1ccc(OCc2nnc(SCc3ccccc3)o2)c(Cl)c1 122226224 XUNYMAWQTHXNBS-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 224913887 ICLRRRMYWLWEIG-UHFFFAOYSA-N 350.506 5.156 0 40 FKAB Cc1ccccc1C1(NC(=S)Nc2ccc(C(C)C)cc2)CCCC1 225843413 AHABZWTYHFIEFS-UHFFFAOYSA-N 352.547 5.874 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc(Cl)c1)N2 245380738 JSDSWYFAEKEBDJ-GPQGAXSRSA-N 353.849 5.335 0 40 FKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 826424 OEJFZRYHDBUHFD-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 995116 ZGTLARCKODHZKF-UHFFFAOYSA-N 365.043 5.318 0 40 FKAB Cc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccc(Cl)cc3)c2n1 1576926 BZXRZOMGMLZNQM-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB COc1ccc(-c2ccccc2)cc1C(=O)c1ccc(-c2ccccc2)cc1 1603874 LRODFSCUHFVNQK-UHFFFAOYSA-N 364.444 6.260 0 40 FKAB FC(F)(F)c1ccccc1Nc1nnc(-c2ccc(Cl)cc2Cl)o1 1608440 BFSRYXBASXBIDQ-UHFFFAOYSA-N 374.149 5.806 0 40 FKAB CCCc1cc(Nc2ccc(F)cc2)n2nc(C)c(-c3ccccc3)c2n1 2237232 BZUMJFGBLSZXQP-UHFFFAOYSA-N 360.436 5.540 0 40 FKAB Cc1nc(Oc2ccc(C(C)(C)C)cc2)c2cc(-c3ccccc3)sc2n1 2679389 SOBDNRNURGAFNV-UHFFFAOYSA-N 374.509 6.757 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2F)cc1 3192903 BDXSIJXVJBOTBB-NTCAYCPXSA-N 363.388 5.279 0 40 FKAB Clc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)c(Cl)c1 4085453 PUDQGOLOQJXJOS-UHFFFAOYSA-N 367.688 6.255 0 40 FKAB Cc1cccc(OCCn2c(/C=C/c3ccccc3)nc3ccccc32)c1 4136449 XLSHFAUSMUDVFM-CCEZHUSRSA-N 354.453 5.594 0 40 FKAB CN(C)Cc1c(C(O)(c2ccccc2)c2ccccc2)ccc2ccccc12 4900407 AZGYMVDNGZKTCZ-UHFFFAOYSA-N 367.492 5.186 0 40 FKAB Clc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 5459122 CTYAQJOUUZMTCJ-FPOVZHCZSA-N 359.860 5.836 0 40 FKAB CC(=O)NCC[C@@H]1[C@@H](c2c(C)n(Cc3ccccc3)c3ccccc23)C1(C)C 5484735 RHNGAHSUYWFDQN-QPPBQGQZSA-N 374.528 5.264 0 40 FKAB COc1ccc(-n2c(SCc3ccc(F)cc3)nc3ccccc32)cc1 5656107 SCEPPTBPBUOPAF-UHFFFAOYSA-N 364.445 5.466 0 40 FKAB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1C(C)C 6324978 ZQPXGNYPDOHVGO-AUCMGLCLSA-N 372.465 5.175 0 40 FKAB O=C(c1ccc2ccccc2c1)N1CCc2nc(-c3ccccc3)sc2C1 6754739 IVTTZJFQCYZCKV-UHFFFAOYSA-N 370.477 5.162 0 40 FKAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(Br)c1 6832252 WKAWRWXAPHFTAT-UHFFFAOYSA-N 358.157 5.029 0 40 FKAB Clc1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)cc1Cl 9197951 WXONDWKFPYDTSO-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4cccs4)ccc3o2)c1 9660004 JILKYFBXVUHMFP-UHFFFAOYSA-N 361.422 5.082 0 40 FKAB biogenic CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 10444075 XFYDUZHYMOGMOI-GXDHUFHOSA-N 365.473 5.121 0 40 FKAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1cc(Cl)ccc1F 12604502 ZWJJPMMTBHHDPZ-UHFFFAOYSA-N 371.824 5.108 0 40 FKAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@@H]21 13036374 OFOJPDNZFLWDCH-WMZHIEFXSA-N 374.440 5.229 0 40 FKAB C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 13510966 NDHOPVCXDQDCPC-KXMWUTRISA-N 357.497 5.072 0 40 FKAB COc1ccccc1-c1cc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1 15670914 HBQAQZHMLUPZIQ-UHFFFAOYSA-N 364.836 5.110 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(OCC)c3ncccc23)cc1 15840774 VEBKFIVGDDTJTE-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(Cl)c1 16789166 ONPJBWFRZVYUIO-UHFFFAOYSA-N 371.937 5.725 0 40 FKAB COc1ccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1OC 19864031 FRLJFFKHQLTZQS-QHCPKHFHSA-N 373.456 5.090 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312247 VKVSHZWUQXXSOM-INIZCTEOSA-N 371.786 5.463 0 40 FKAB CC(C)CC(=O)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 27913843 OCGSJWAYIDXGIL-UHFFFAOYSA-N 360.479 5.662 0 40 FKAB Cc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCCCC1 28291861 FWIOCRCESMQGQZ-QHCPKHFHSA-N 364.533 5.075 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 30847558 OBRPKUBPOLCASL-LJQANCHMSA-N 355.890 6.003 0 40 FKAB Cc1ccccc1[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 38754044 BZGKJNROFGXRJS-POICXBNUSA-N 361.872 5.567 0 40 FKAB COCc1ccccc1NC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 46032605 UOHAOGBPOCZBBL-QFIPXVFZSA-N 372.468 5.013 0 40 FKAB CCC1CCC(CCC2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 66351946 SOLQDJUTBJEPAR-UHFFFAOYSA-N 352.484 7.374 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2Cc2ccccc2)cc1 69005249 QDPZRMYGFJCULF-UHFFFAOYSA-N 357.453 5.187 0 40 FKAB CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215816 BBIOKLAWSYFWST-IBGZPJMESA-N 367.493 5.312 0 40 FKAB Cc1ccccc1COc1ccc(CNc2cccc(C(=O)O)c2C)cc1 95472060 WSZHFGCNLSBSLC-UHFFFAOYSA-N 361.441 5.193 0 40 FKAB COc1ccccc1[C@H]1Sc2ccccc2N=C2C[C@H](C)CC(O)=C21 102674815 BUPLWERNDNVRSI-YEJXKQKISA-N 351.471 5.857 0 40 FKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1cccc(Cl)c1 102722269 OZYVEOPTNAMTCR-UHFFFAOYSA-N 367.861 5.230 0 40 FKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 106702699 VYNYPNYRAYUNOD-UYRXBGFRSA-N 367.470 5.020 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 106958943 KWQJKPHVZDRJHQ-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 118927994 JHTFPRFKUMCPIU-KOSSVRDGSA-N 368.565 5.207 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118933718 PRTAHSZPJNARHZ-VKACWFGYSA-N 372.549 5.476 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222903577 CTNCQMHPFMJPNP-HUUCEWRRSA-N 373.949 5.577 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C 224243860 KHEUOENTLQFCMF-FQEVSTJZSA-N 357.881 5.323 0 40 FKAB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225406733 WBGKACKSXOBIGJ-OAHLLOKOSA-N 356.535 5.430 0 40 FKAB CCCOC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225436914 WFSWYGXNDZRSPF-UHFFFAOYSA-N 374.484 5.042 0 40 FKAB CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c2ccccc12)C1CC1 225858987 YJSLKGOUOLACFM-JOCHJYFZSA-N 355.478 5.161 0 40 FKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(C)cc1 408825909 KBFFLBIJVHOWNU-UHFFFAOYSA-N 350.487 5.632 0 40 FKAB Cc1ccc(-c2nc3ccccc3c(C(=O)N3CCCCCC3)c2C)cc1 671089 WUPRLJGJGHYFEU-UHFFFAOYSA-N 358.485 5.535 0 40 FKAB O=C(Nc1ccccn1)c1ccccc1Nc1ccc(SC(F)F)cc1 942373 HGANXUWDFOIDNL-UHFFFAOYSA-N 371.412 5.392 0 40 FKAB c1ccc(-c2nc3nc(-c4cccs4)cn3nc2-c2ccccc2)cc1 1097737 BXGMQUKAAFWGCS-UHFFFAOYSA-N 354.438 5.187 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c(C)c1 1256284 BVSPSOYZYDZEQA-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB FC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccccn4)n3)on2)c1 1382751 DJBWRYJJUJXKEP-UHFFFAOYSA-N 373.359 5.546 0 40 FKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccccc3F)c2cc1C 1397552 DGNQFRKJWNNIIT-UHFFFAOYSA-N 365.839 5.556 0 40 FKAB O=C(/C=C/C=C/c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 1783324 SWIUGJICMGHIIX-KBXRYBNXSA-N 352.648 5.855 0 40 FKAB CCc1ccc(/N=c2\cc(-c3ccccc3)oc3cc(C)cc(C)c23)cc1 1892336 WDMHKORLSFNLBW-XTCLZLMSSA-N 353.465 6.511 0 40 FKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2101314 PECUTZOKUYGMKW-UHFFFAOYSA-N 358.437 5.626 0 40 FKAB biogenic Cc1ccc(C2=C[C@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 2914979 HXCQGILEVSDEAZ-JOCHJYFZSA-N 355.416 5.540 0 40 FKAB Cc1cccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1 3058330 LRDPIQDNOGDQLU-RVMZIBIISA-N 353.465 5.621 0 40 FKAB CCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 4525949 KWLDUYVATRXIME-UHFFFAOYSA-N 367.876 6.292 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 4853200 USPFTSXWRPBEDV-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB Cc1[nH]nc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccccc1 5248521 MXZUGYAIGYYLJC-UHFFFAOYSA-N 356.425 5.337 0 40 FKAB Cc1cccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c1 5545414 RMKSCZZEGMQMCA-SDNWHVSQSA-N 358.872 6.217 0 40 FKAB Cn1c(-c2c(-c3ccccc3O)n[nH]c2-c2ccccc2)nc2ccccc21 6040612 UJHNFKSEXXMVBR-UHFFFAOYSA-N 366.424 5.003 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 6216809 MITQKSINRIXDTA-UHFFFAOYSA-N 366.461 5.009 0 40 FKAB Cc1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)s1 6279133 LWGMWMQRRBYXTM-UHFFFAOYSA-N 364.495 5.263 0 40 FKAB CC(C)CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 6883518 GCDISOOWHBKXFV-UHFFFAOYSA-N 353.893 5.818 0 40 FKAB O=c1cc(-c2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)[nH]1 7424212 KTMRWMYZAHNCRG-UHFFFAOYSA-N 363.269 5.036 0 40 FKAB O=C(NC1CCCCCC1)c1ccc(OCc2ccccc2Cl)cc1 7700339 SBBNPRUOKUFKFI-UHFFFAOYSA-N 357.881 5.372 0 40 FKAB COc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1OC(F)F 8321261 NAKSWOCUTXDYCL-XVNBXDOJSA-N 351.736 5.262 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 8769093 HDLDRGPAVHYUDJ-UHFFFAOYSA-N 371.893 5.408 0 40 FKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2ccco2)oc2ccc(F)cc12 28228435 KMBZWZNJIBVCOX-UHFFFAOYSA-N 363.388 5.316 0 40 FKAB Cc1ccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)cc1C 28573645 BLOAOQYUYCMGNQ-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38833696 BHODJWGCRLBULR-IBGZPJMESA-N 370.924 5.314 0 40 FKAB CC(C)C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 44845659 GRZYGKURDWOTIU-OAQYLSRUSA-N 357.453 6.103 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44947531 ACPQIFIGWFXGED-LJQANCHMSA-N 370.496 5.049 0 40 FKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2c[nH]c3ccccc23)cs1 102329236 RKJQABLMHUOGFE-MELADBBJSA-N 351.475 5.056 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3C 118930673 CUFSHWXGVRHVRN-FPZINTQCSA-N 360.538 5.166 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1C(C)C 223265007 IGDYPGCXVSNCFR-YCABEKBOSA-N 355.453 5.157 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224131815 YTRCISKZGNDRHK-CYBMUJFWSA-N 365.816 5.645 0 40 FKAB COc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225503246 PHJASZQOGQCZAB-NRFANRHFSA-N 362.498 5.080 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 225854985 CQAAYWPXLLFBMF-XMSQKQJNSA-N 365.517 5.236 0 40 FKAB Cc1cc(-c2nnc(CN[C@@H]3CC(C)(C)CCc4ccccc43)o2)c(C)o1 516238206 SXOIZCFYIWWCLR-LJQANCHMSA-N 365.477 5.140 0 40 FKAB CC(C)Cc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 2383627 OLPWHQNVBWEIPX-ISLYRVAYSA-N 369.508 5.804 0 40 FKAB c1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 2638921 BVEDDPRWFMTFOL-UHFFFAOYSA-N 358.470 5.376 0 40 FKAB Cc1ccc(/C=C/c2ccc(=O)n(Cc3ccc(Cl)cc3Cl)n2)cc1 4060016 PHOCIBLIEGQQMP-RMKNXTFCSA-N 371.267 5.077 0 40 FKAB C[C@@H](c1ccccc1)n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 4575345 XFGJVXDJPDYHJL-MAUBAPBLSA-N 358.872 6.469 0 40 FKAB CC1=C(C)[C@@H](c2c(-c3ccc(C)cc3)[nH]c3ccccc23)N(C(C)(C)C)C1=O 4700338 MEUFEFWMMAZNCD-QHCPKHFHSA-N 372.512 6.162 0 40 FKAB Cc1ccc(Cl)cc1Nc1ncnc2scc(-c3ccccc3)c12 6530316 KRNHRFPMONOVTG-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 6651646 MRVNLHVPGFAVKW-LBPRGKRZSA-N 362.267 5.224 0 40 FKAB Cc1ccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(C)c1 6833773 SKKXSUMMLRNKBA-UHFFFAOYSA-N 374.815 5.101 0 40 FKAB COc1ccc(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 7294760 AJPFUCAGMUOFNT-CQSZACIVSA-N 371.502 5.043 0 40 FKAB CCCCN(CCCC)Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717388 WPYASOHWYPGYAR-UHFFFAOYSA-N 364.917 5.313 0 40 FKAB Cc1cc(NC(=O)CCc2ccc(C(C)C)cc2)ccc1Br 10332594 DHVNICUWULZVGS-UHFFFAOYSA-N 360.295 5.452 0 40 FKAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 14006254 KCLTWBLXBBYLMI-VIFPVBQESA-N 374.651 5.061 0 40 FKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20457340 LICDDYRAHHHUEF-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB CCCCC(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 20971695 LBVGAUNRSDBAKZ-UHFFFAOYSA-N 370.452 6.291 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccccc2)cc1 21577857 MVAWDJWYDWADNT-UHFFFAOYSA-N 374.459 5.735 0 40 FKAB Fc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)cc1 22073930 COYAOFJJHONBCW-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB CC(C)CCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 27586046 TWKUJYRRMPMLKS-UHFFFAOYSA-N 356.473 5.521 0 40 FKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)c1ccc(F)cc1 40013709 GYSNVAFTJRDWAB-GFCCVEGCSA-N 369.267 5.154 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351361 OQYFCALUGPQVAK-GCJKJVERSA-N 361.485 5.491 0 40 FKAB O=C(NCc1cccc2ccccc12)N[C@H]1CCSc2ccc(F)cc21 63797757 MMSDQBHKVQACOU-IBGZPJMESA-N 366.461 5.015 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 222683655 DYCHLSRJHDOLOM-UHFFFAOYSA-N 354.302 5.182 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)NCc1cccc2ccccc12 222827634 HUBPJDIYTQPRBI-UHFFFAOYSA-N 355.890 5.043 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc2c(c1)CCCC2 223017495 DMYVDDMCMRUUAH-OAQYLSRUSA-N 353.531 5.066 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C 223453969 LYMWUVBKFUTTPX-RTBURBONSA-N 361.485 5.410 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccccc2)CCCCC1 225533585 YEMYXCRVWHAREJ-UHFFFAOYSA-N 363.501 5.849 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225653964 LPBQTHJGORFHEN-IBGZPJMESA-N 355.906 5.443 0 40 FKAB COc1cc(C=O)cc(CSC)c1OCc1ccc(Cl)cc1Cl 226288322 GVWIBHBBZBYJHV-UHFFFAOYSA-N 371.285 5.257 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3cccc(-c4ccc(C(=O)O)cc4)c3O2)c1 257230535 GCTMLZKWMBXQGZ-RUZDIDTESA-N 372.464 5.687 0 40 FKAB Fc1cccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2)c1 408607250 KGJUWIPVOKZPGL-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB O=c1c2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]n1-c1ccccc1 1078257 DXJAHCLLPZWPLU-UHFFFAOYSA-N 363.420 5.048 0 40 FKAB CC(C)N(C(=O)C1CCCCC1)c1nnc(-c2ccc(Cl)cc2)s1 1345596 AKOXYZQPZYAEMV-UHFFFAOYSA-N 363.914 5.180 0 40 FKAB CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C2CC3CC(C2)CC1C3 1391195 MZYGIIOISPLDEC-UHFFFAOYSA-N 352.305 5.784 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(C)c1C)C(C)(C)N2 1814591 MOCHAEZIYGXOGI-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB O=C1CS[C@H](c2ccccc2F)N1c1ccc(Oc2ccccc2)cc1 2949285 NFKYFTYDYIBGLU-OAQYLSRUSA-N 365.429 5.397 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 3183768 UTPUSHQARDXJNT-UHFFFAOYSA-N 359.850 5.386 0 40 FKAB Fc1ccc(Nc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 3680460 YJLHCMFYTWEKNI-UHFFFAOYSA-N 355.372 5.926 0 40 FKAB Cc1ccccc1C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267140 NWSPNUXMJZKUEX-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB Fc1ccc([C@@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)cc1 4315172 UVFYZIHHLGEGLO-NRFANRHFSA-N 368.814 5.974 0 40 FKAB Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 4475787 QRPXWDXTUUZUJR-GOSISDBHSA-N 356.853 5.896 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccccc1Oc1ccccc1 4666496 DHEDDHQEGVSGOT-UHFFFAOYSA-N 369.420 5.650 0 40 FKAB CC(/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O)=C\c1ccccc1 4680368 GGAVJWUCASHWMZ-UJUKKVGJSA-N 369.873 5.523 0 40 FKAB Fc1cccc(F)c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 4690066 XAKHYZNCXSPHIR-DENIHFKCSA-N 362.379 5.207 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccccc2)cc2ccccn12 4980050 PBUJZOIWIWSZPC-UHFFFAOYSA-N 366.247 6.144 0 40 FKAB Cc1ccc([C@@]2(CCN[C@@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 5032896 CGUCFXKLVWDOLG-RRPUWOKSSA-N 371.590 5.870 0 40 FKAB C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1F 5293071 NFFWJMPYXTUNNB-HNNXBMFYSA-N 351.377 5.024 0 40 FKAB Cc1ccc(O)c(C(=O)[C@@H](C)c2ncnc3scc(-c4ccccc4)c23)c1 5958679 VTGOFNHULVQEBI-AWEZNQCLSA-N 374.465 5.359 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6595189 KICOZOKGJMKERP-UHFFFAOYSA-N 358.894 6.136 0 40 FKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 7375656 DLNBAAYVUMRKSX-FMIVXFBMSA-N 365.860 5.652 0 40 FKAB CC(C)c1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)cc1 8023596 RMRNVBSKFHNXJR-UHFFFAOYSA-N 367.518 5.090 0 40 FKAB COc1ccccc1CC(=O)Nc1ccccc1Oc1ccccc1Cl 12744236 PFDIURURLLKACY-UHFFFAOYSA-N 367.832 5.322 0 40 FKAB COc1cccc(CC(=O)N(c2ccccc2)c2nc3ccccc3s2)c1 12806183 LYUFVTIRBQQYCP-UHFFFAOYSA-N 374.465 5.212 0 40 FKAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1cccs1)CC(O)=N2 13550866 BELZMRYUOYYPEE-LBPRGKRZSA-N 357.866 5.328 0 40 FKAB S=C(Nc1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 13819448 CWMOAJKWLOBLJQ-UHFFFAOYSA-N 355.334 5.249 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 14426850 HKTBEGXRVWWJQF-UHFFFAOYSA-N 374.465 5.681 0 40 FKAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 17074006 BJTQABCVLVRJAR-LJQANCHMSA-N 358.485 5.615 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 20044831 QKJGLFYNBCHGIT-ZDUSSCGKSA-N 358.652 5.443 0 40 FKAB O=C(Nc1cccc(NC(=O)c2occc2-c2ccccc2)c1)c1ccco1 24927728 PVUWQCYPWVBUEG-UHFFFAOYSA-N 372.380 5.044 0 40 FKAB COc1ccc(C(C)=O)cc1CSCc1coc(-c2ccc(F)cc2)n1 24942100 VRJUKNKRFBATBG-UHFFFAOYSA-N 371.433 5.125 0 40 FKAB C[C@H]1CCN(C(=O)CSc2ccc3c(c2)CCC3)c2ccccc2S1 32719157 LZLALLREOVDVEI-HNNXBMFYSA-N 369.555 5.185 0 40 FKAB COC(=O)c1c(O)cccc1CC[C@@H]1c2ccccc2C[C@H]2CCCC[C@H]12 35973651 OUPDCYDORAMWNW-HLAWJBBLSA-N 364.485 5.258 0 40 FKAB Cc1ccc(CN(C(=O)Nc2cc(C)on2)[C@H]2CCc3ccccc32)cc1 58393975 ZHBCYBQPXSAXKI-FQEVSTJZSA-N 361.445 5.013 0 40 FKAB Fc1ccc(-c2nc(CN[C@@H]3CCOc4c(Cl)cccc43)cs2)cc1 67248767 BYYFLPNHIQECDC-QGZVFWFLSA-N 374.868 5.216 0 40 FKAB c1ccc2c(c1)C1c3cc4ccccc4cc3C2c2cc3ccccc3cc21 68568340 AKFNFEBGXSOQQJ-UHFFFAOYSA-N 354.452 6.980 0 40 FKAB biogenic C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222826900 RAISJRDHPQTZRA-CQSZACIVSA-N 355.890 5.290 0 40 FKAB S=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CCCc2ccccc21 225462062 KZWYBHDUKDOFPI-OAQYLSRUSA-N 366.530 5.372 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2cccnc12 225859606 NVRJXIKCNSIHEW-UHFFFAOYSA-N 360.457 5.084 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(-c3ccc(-c4ccccc4)cc3)oc12 226246531 ICBZOLLUAJUFGN-UHFFFAOYSA-N 350.421 6.261 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@@H]1[C@@H]2CC[C@@H]2CCCC[C@@]21C 226331022 CJZNZDGODWVLOM-MPYVGDORSA-N 358.569 7.222 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 714996 XZKRMRNNMJBDNY-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB c1csc(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1 844666 ANRYAZIPCAKOHX-FQEVSTJZSA-N 365.479 5.835 0 40 FKAB Cc1nn2c(-c3ccc(-c4ccccc4)cc3)ccnc2c1Br 1384250 VKFQOWVHFWLKHT-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB Cc1oc2cc(OCC(=O)c3ccccc3)ccc2c(=O)c1-c1ccccc1 1447916 NNRBFLZJGHCWEE-UHFFFAOYSA-N 370.404 5.030 0 40 FKAB biogenic CC(=O)c1sc2nc(-c3ccc(Cl)cc3)c3c(c2c1N)CCCC3 1471991 UQBYOAQNZJOVFD-UHFFFAOYSA-N 356.878 5.280 0 40 FKAB Clc1cccc(-c2nc3ccccc3nc2-c2ccccc2)c1Cl 2079531 DROVMXVPCQHZOL-UHFFFAOYSA-N 351.236 6.271 0 40 FKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccccc1 2231150 OMBMONVYQWIRND-SDNWHVSQSA-N 370.408 5.155 0 40 FKAB Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 2521569 YZKLGRAIIIGOHB-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro C1=C(c2ccccc2)S/C(=C2\SC=C(c3ccccc3)S2)S1 2545383 UXYULNILNJCKTO-ISLYRVAYSA-N 356.562 7.070 0 40 FKAB Clc1cc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1 2569354 CTVRBEKNQHJPLX-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB Cc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1cccc(F)c1 2688722 NEAGTTULIPNKQY-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB O=C(Nc1cc(F)ccc1F)c1ccc(COc2ccccc2Cl)o1 2763542 LWOLVYMJUZDKKN-UHFFFAOYSA-N 363.747 5.043 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)C(c1ccccc1)c1ccccc1 3172558 RXITZTAUJDGVAM-UHFFFAOYSA-N 371.524 6.704 0 40 FKAB O=C(OCc1ccccc1Cl)c1cc(-c2ccco2)nc2ccccc12 3263267 AJJPFAYUMDVEJZ-UHFFFAOYSA-N 363.800 5.505 0 40 FKAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)c1 3644860 JJQXVIGEMPHZAK-UHFFFAOYSA-N 369.346 5.091 0 40 FKAB Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2cccc(C)n12 3911560 MHQTWLBHARPDSU-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB CCCC[C@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)c1ccccc1 4691843 VOSOOKGSMUKXBQ-JTHBVZDNSA-N 360.582 7.425 0 40 FKAB Clc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 6532089 KQSXKGVXQBRFIF-UHFFFAOYSA-N 355.894 5.150 0 40 FKAB Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 6598454 LIZOBHFOTOHLKF-UHFFFAOYSA-N 358.816 5.785 0 40 FKAB Cc1cc(Br)ccc1NC(=S)Nc1ccc(Cl)cc1 6613184 RYAOPAMFTWTUHK-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 6966813 IEBSUZHDLCFIOR-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(F)cc3)cccc2c1=O 8183619 RRAOQRQCTQOEBS-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB COc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)[C@@H](C)CCC3)cc1 12610125 DYFFOLCFESHXKW-AWEZNQCLSA-N 363.526 6.291 0 40 FKAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)C(c1ccccc1)c1ccccc1 12814387 FUDCQDKNPWJGJG-QZTJIDSGSA-N 361.407 5.056 0 40 FKAB Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)-c1ccccc1CCC2 12970794 GVOKELOSLPHGNI-UHFFFAOYSA-N 373.858 6.850 0 40 FKAB CCOc1ccccc1NC(=O)c1ccccc1Nc1ccc(F)cc1 14075596 GZGNJPNHYYULHN-UHFFFAOYSA-N 350.393 5.220 0 40 FKAB CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 14257902 VBBCSHQOVZGZHK-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB COc1cccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)c1 18207989 USFFNRSEHLKABX-VZCXRCSSSA-N 368.527 5.687 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)Cc1ccccc1-2 19075086 IXDFYFBKXBHXFO-UHFFFAOYSA-N 369.251 6.209 0 40 FKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCCCCCC1 24765613 VPTAPVOKQQWWRX-UHFFFAOYSA-N 351.368 5.372 0 40 FKAB CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)c2cc(C)nc3onc(C)c23)cc1 36613778 ZKJWUJGXYDNURJ-BFUOFWGJSA-N 365.477 5.234 0 40 FKAB Cc1c(-c2nc(-c3ccccc3Cl)cs2)nnn1-c1ccccc1 38486822 KRWJYARFURXXAZ-UHFFFAOYSA-N 352.850 5.020 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 44901828 HHBRYDQMIWJOEY-HNNXBMFYSA-N 358.265 5.642 0 40 FKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C2CCCCC2)C1 54114201 NRWBCXUPEHHXAD-UHFFFAOYSA-N 363.457 5.582 0 40 FKAB biogenic Cc1cc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc(C)c1O 65518600 NUOIHOUMRCULBO-VBKFSLOCSA-N 367.470 5.414 0 40 FKAB Cc1cc(C(F)(F)F)cc(Oc2ccccc2CN2CCCCC2)n1 67867762 PKCWKURAILSYEZ-UHFFFAOYSA-N 350.384 5.187 0 40 FKAB Clc1ccc(CN(Cc2ccc(Cl)cc2)C[C@@H]2CCCCN2)cc1 72202941 WENFUJHSGIDPNY-FQEVSTJZSA-N 363.332 5.138 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1NC1CCCCC1 72214055 NFZFCEVOQOUUJI-NRFANRHFSA-N 363.505 5.194 0 40 FKAB O=C(N(CCc1cccs1)Cc1ccco1)C12CC3CC(CC(C3)C1)C2 75154767 GBOOUPVYDUMQHG-UHFFFAOYSA-N 369.530 5.129 0 40 FKAB CCOc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OCC 85385193 LIZGMWOTOSHYLH-UHFFFAOYSA-N 365.477 5.234 0 40 FKAB COc1ccc(C(OC[C@H]2C[C@H]3C=C[C@H]2C3)OC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 104189086 IETYYIJLWUYSNN-KZCABGEDSA-N 366.501 5.151 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222936322 CGLHSPWICZDLFA-IBGZPJMESA-N 371.546 5.892 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 223323912 YMHQUAXTLSWRGR-CQSZACIVSA-N 361.869 5.186 0 40 FKAB Cc1cccc([C@@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2)c1 224163640 ROIHTMYNOULLFV-FQEVSTJZSA-N 353.824 5.307 0 40 FKAB Cc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 225248819 RLLYISRDYFXXLH-RUZDIDTESA-N 357.497 5.450 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225907816 XVUSFNRHHCJKSW-JOCHJYFZSA-N 372.509 5.336 0 40 FKAB O=C(Nc1ccc(Br)cc1)c1sc2ccccc2c1Cl 625137 BTVZIEBISVLUAR-UHFFFAOYSA-N 366.667 5.570 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCCC2=CCCCC2)cc1Br 675303 NUECPJKJKAENAF-UHFFFAOYSA-N 364.327 5.367 0 40 FKAB CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC 706777 SNUBRUPQCUACSG-UHFFFAOYSA-N 362.351 5.039 0 40 FKAB Cc1c(NC(=O)c2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1 805581 MYHPWSXXJRUQBO-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc2ccccc2o1 841536 GDEGWMCLQDGQFV-UHFFFAOYSA-N 353.381 5.228 0 40 FKAB Clc1cccc(COn2c(-c3ccccc3Cl)nc3ccccc32)c1 1396578 KSPQFGNVWSQYTH-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB CCCCCc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 2640466 ZQMUMXKDRMFKIA-UHFFFAOYSA-N 365.502 5.119 0 40 FKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc3c(c2)OCO3)cc1 3672683 PONNOMXJPZBHKS-UHFFFAOYSA-N 372.468 5.058 0 40 FKAB Clc1ccc([C@H]2CC(c3cccs3)=NN2c2ccccc2)c(Cl)c1 4712859 YMJVDVQIGJQSAK-GOSISDBHSA-N 373.308 6.411 0 40 FKAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C)ccc4c32)cc1 4970180 QEPCQQLNBCDYHM-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB Cc1cccc2c(=O)c(-c3cccc4ccccc34)c(NC(=O)C(C)C)oc12 5451345 RXLQGHMWZUWEAG-UHFFFAOYSA-N 371.436 5.516 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccccc1C(C)C 6235988 UUPAFZHHJADJAM-UHFFFAOYSA-N 359.897 5.606 0 40 FKAB Cc1c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)oc2ccccc12 7117222 VYEOWLISSSBTQA-CYBMUJFWSA-N 350.443 5.184 0 40 FKAB Cc1nc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1 9040203 UXFHRGKZUISUPN-UHFFFAOYSA-N 370.499 5.116 0 40 FKAB CC(C)[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1nc2ccccc2[nH]1 9466925 MJBANQLRUSEICE-GOSISDBHSA-N 367.449 5.044 0 40 FKAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nccs2)cc1 9734943 YZGSUQWJKFBOAK-OAHLLOKOSA-N 366.486 5.341 0 40 FKAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1 10042350 FDIMPAOWRKSIBX-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1ccc(OC(=O)c2ccc(OC(C)C)c(Br)c2)cc1C 12138613 RIKJSOSXVIILKQ-UHFFFAOYSA-N 363.251 5.072 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3cccc(C)c3)c2C1)CCCC4 12610205 NLDVKCQCZQOCHV-INIZCTEOSA-N 361.554 6.665 0 40 FKAB CSc1ccccc1NC(=O)CCSCc1cccc(Cl)c1 13021549 JGICLHAIORYDNF-UHFFFAOYSA-N 351.924 5.324 0 40 FKAB CCCC(=O)Nc1ccc(/C=C/c2ccc(NC(=O)CCC)cc2)cc1 13510469 QOFPJQDJCKSPRA-BQYQJAHWSA-N 350.462 5.334 0 40 FKAB Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1 15079650 OEJGQPOANUKNMN-UHFFFAOYSA-N 350.343 5.828 0 40 FKAB COc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 16030094 NNOUSBKKYJBTNN-UHFFFAOYSA-N 363.482 5.157 0 40 FKAB Cc1cccc(Cn2nc(-c3ccccc3C)cc2-c2ccccc2C)c1 17073085 FMYJXCPYRJMSJF-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CC(C)n1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 17075546 CWZOEGGJQMWVSP-UHFFFAOYSA-N 368.289 5.718 0 40 FKAB Cc1nc(-c2ccc(CC(=O)Nc3ccc(Cl)cc3F)cc2)cs1 40073448 NHPYJUAGYWPYLY-UHFFFAOYSA-N 360.841 5.092 0 40 FKAB Cc1ccccc1-c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)[nH]n1 46914408 MBWVRRLNGCYCBN-UHFFFAOYSA-N 370.334 5.121 0 40 FKAB COc1ccc(CCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 58679353 JVXVBQLDRIDEOC-CYBMUJFWSA-N 366.288 5.154 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344184 NABZKYPCYKVXPR-LSDHHAIUSA-N 350.245 5.134 0 40 FKAB Clc1ccccc1COc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 98086323 LPYRKZVDQXOHPX-SDNWHVSQSA-N 360.844 5.966 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223017780 JPSNQVHTEZKTEO-JOCHJYFZSA-N 367.558 5.375 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(Cl)c1 223135022 SVTONOHQRBLMMZ-HXUWFJFHSA-N 357.881 5.323 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 223554937 QIVSFFKNMJXBSM-SFHVURJKSA-N 372.468 5.047 0 40 FKAB Cc1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1C 224315772 ZCPMXFYCGXPJPM-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB CC(C)Oc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225578473 NAFXPWDVCUTOPV-GOSISDBHSA-N 370.518 5.063 0 40 FKAB O=C(c1cc2ccccc2s1)N(Cc1ccoc1)Cc1cccs1 225623160 WHOUGVQLVDIVAC-UHFFFAOYSA-N 353.468 5.398 0 40 FKAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@H](C)C1 225666360 JQFWRUFTDRSEQO-AOMKIAJQSA-N 361.526 5.405 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C)cc2C)c2ccccc2)c1 225697532 ABBVKOBKWGKVMA-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C)c(Cl)c1 225703059 YRBSQONDSXORLD-SFHVURJKSA-N 360.910 5.021 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225766976 ZKLUZHQMZRAOGN-HSZRJFAPSA-N 374.553 5.996 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CCSc2ccccc2)c2ccccc2O1 225789550 IIZOTEXJVUVMAR-LJQANCHMSA-N 369.530 5.368 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225865163 GRJULSUBWNGQSE-UHFFFAOYSA-N 352.478 5.101 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N 226303252 XPFZYDHXOYULAZ-UHFFFAOYSA-N 360.501 5.297 0 40 FKAB CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 245240138 OLFAUBNLGRKABZ-PKRXZDKWSA-N 360.538 5.037 0 40 FKAB CC(C)n1nc(-c2ccc(Cl)s2)c(Br)c1C(F)(F)F 248014207 SGUPIPSWMBHVPN-UHFFFAOYSA-N 373.625 5.627 0 40 FKAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 408733166 FOCDWBJVCUUYKB-DEOSSOPVSA-N 370.496 6.144 0 40 FKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 706347 UCLSRUFXHQSWMM-RABUFTMVSA-N 373.883 5.822 0 40 FKAB Cc1ccc2ccccc2c1CSCC(=O)Nc1ccc2ccccc2c1 716782 DUCHKDRBPHVBMI-UHFFFAOYSA-N 371.505 6.173 0 40 FKAB Cc1ccc2nc(Nc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 754007 QTVYZLVNNJGIBT-UHFFFAOYSA-N 351.413 5.225 0 40 FKAB Cc1ccccc1-c1cc(C(=O)NCCc2ccccc2)c2ccccc2n1 995188 RHUDQKGEEJNGFB-UHFFFAOYSA-N 366.464 5.183 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c(C)c1 998558 LIGVEIXTMMFXGY-ROUUACIJSA-N 372.512 5.637 0 40 FKAB COc1ccc(-c2nc(-c3cccnc3)sc2-c2ccc(OC)cc2)cc1 1394901 JRTDLFSCUXCCQP-UHFFFAOYSA-N 374.465 5.556 0 40 FKAB COc1cc(-c2c(C)oc(C)c2C(C)=O)ccc1OCc1ccccc1 1608095 NMSMGRLMGNBOAP-UHFFFAOYSA-N 350.414 5.354 0 40 FKAB C[C@@H](C[C@@H](C)C(c1ccccc1)c1ccccc1)NCCc1ccccc1 1771839 VZZPVBUNJLZTII-YADHBBJMSA-N 357.541 6.066 0 40 FKAB Cc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3c3ccccc23)cc1 2374064 IPFPVXIRMTUWSH-UHFFFAOYSA-N 350.425 5.228 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 2609220 VGXQYFQYWOKXGC-UHFFFAOYSA-N 365.473 5.552 0 40 FKAB C[C@@H](Oc1cccc2c1CCN(Cc1ccccc1)C2=O)c1ccccc1 2716325 IQSFWKDIMRWHLN-GOSISDBHSA-N 357.453 5.025 0 40 FKAB CCN(CC)c1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1 3284168 SQUGXFUIJXVADM-UHFFFAOYSA-N 359.425 5.651 0 40 FKAB CCc1nc2ccccc2c(C(=O)OCc2ccc(C(C)(C)C)cc2)c1C 3347508 XLWHKTXUKIKYAR-UHFFFAOYSA-N 361.485 5.760 0 40 FKAB Cc1ccc(-c2cc(C(F)F)nc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1 3896182 UMQLOZXZOBPZCA-AOMKIAJQSA-N 371.475 5.795 0 40 FKAB COc1ccc(OC)c2nc(-c3ccc(Oc4ccccc4)cc3)ccc12 4051216 VBNBLLKWBSWEJD-UHFFFAOYSA-N 357.409 5.711 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 5742932 IRVNXTZDUTXMJY-IKBNZHKXSA-N 364.485 5.536 0 40 FKAB CC(C)(C)c1ccc(C2=Nc3ccc(F)cc3C(c3ccccc3)=NN2)cc1 6075413 WTOMYGHTBAZFKH-UHFFFAOYSA-N 371.459 5.557 0 40 FKAB Cc1ccc(CN[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 6285621 WOHDYCVRZYHXQA-HSZRJFAPSA-N 358.485 5.081 0 40 FKAB O=C(c1ccccc1Cl)N(Cc1cccc(Cl)c1)Cc1ccco1 6810642 LVJPFTMEHUHZBA-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB COc1cc(CNCC(C)C)ccc1OCc1c(Cl)cccc1Cl 6883574 VTQQHTDIQFOEGJ-UHFFFAOYSA-N 368.304 5.327 0 40 FKAB Cc1sc2nc([C@H](C)Oc3cc(Cl)ccc3Cl)[nH]c(=O)c2c1C 6974745 NNSUWCATFGZLCX-QMMMGPOBSA-N 369.273 5.048 0 40 FKAB Cc1c(Cl)c(COC(=O)c2ccc3ccccc3n2)nc2ccccc12 8447760 MJASCFONVRZBHX-UHFFFAOYSA-N 362.816 5.102 0 40 FKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1F)c1ccccc1 8534243 VSFIHRNWJBEQDE-INIZCTEOSA-N 369.867 5.909 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccc3ncccc3c2)N1c1ccc(F)cc1 8707105 NUGLUJFQQMEGKW-QFIPXVFZSA-N 369.399 5.145 0 40 FKAB CCOc1ccc(OCCn2c(Cc3ccccc3)nc3ccccc32)cc1 8715496 OUAWBFCWTNYDIP-UHFFFAOYSA-N 372.468 5.105 0 40 FKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9355393 PGAXKZVBRTYXAF-QMHKHESXSA-N 352.437 5.474 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3cccc(C)c3C)cc2)c(C)c1 12596280 PMDXFIMYFMVCON-UHFFFAOYSA-N 361.510 6.324 0 40 FKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)CCCCCC4)C1 12609597 UVSAZAAIUZLJRR-MRXNPFEDSA-N 361.554 6.747 0 40 FKAB CC(C)=CCC/C(C)=C/COc1ccc2c3c(c(=O)oc2c1C)CCCC3 12660209 HPEZDUCDYAGSAM-SAPNQHFASA-N 366.501 6.052 0 40 FKAB biogenic Cc1nc(-c2cccs2)c(CCC(=O)N2c3ccccc3C[C@@H]2C)s1 19933126 PHZQYGOGTVBIQU-ZDUSSCGKSA-N 368.527 5.090 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 20039959 MKPOIMOKRFLVRI-UTKZUKDTSA-N 353.506 5.327 0 40 FKAB C1=CC(=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)C=C1 20412957 NMFNSRVZQCRWRG-MHZLTWQESA-N 374.487 6.552 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccccc1Cl 22072284 PXDGQHHYUTZDFP-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1cccc(OCc2ccccc2Cl)c1 22258089 UTLPKSUHNNXYHV-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(Br)o1 30183740 ZGRJJPFFIZMRDW-UHFFFAOYSA-N 366.280 5.329 0 40 FKAB CC[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 48365517 HVNRLNPKOGEHCJ-HXUWFJFHSA-N 356.897 5.142 0 40 FKAB CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)no2)cc1 66351909 JLCLOAYOQLRDSK-UHFFFAOYSA-N 365.429 5.364 0 40 FKAB Cc1cccc(N2Cc3nc4ccccc4c(-c4ccccc4)c3C2=O)c1 96026301 ZVOSRVXHOVRBKR-UHFFFAOYSA-N 350.421 5.371 0 40 FKAB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118932291 KDLNOQQQEBKBQM-RAONFIGKSA-N 372.549 5.476 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)/C(=C/c1ccco1)c1ccccc1 223431286 ZMPAFCJFYIVFLO-CJLVFECKSA-N 365.432 5.711 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 224473059 DVXYBYIKFPYJAC-KRWDZBQOSA-N 368.329 5.223 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522377 LUWXWCYWCWRNDR-MRXNPFEDSA-N 371.908 5.968 0 40 FKAB CC(C)c1ccc(NC(=O)N2CCC(c3ncc(C(C)(C)C)o3)CC2)cc1 227167165 PMTBETWSJSGLBM-UHFFFAOYSA-N 369.509 5.507 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Cl)cc1 408561299 HLWYEURZZWBYME-VZCXRCSSSA-N 374.893 5.177 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 408563217 ACZKYRWXDAJAKW-QGZVFWFLSA-N 363.482 5.907 0 40 FKAB Cc1ccc(-n2c(C)nnc2SCc2cccc3ccccc23)cc1C 664010 YEQVTYJSHFZAFC-UHFFFAOYSA-N 359.498 5.638 0 40 FKAB Fc1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 1388811 VHNZPXRLFRZMEU-UHFFFAOYSA-N 360.457 6.175 0 40 FKAB CC(C)(C)c1cc(NC2CCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2331185 LUQXPSJVVZREJX-UHFFFAOYSA-N 368.912 5.702 0 40 FKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccc(Br)c(F)c1 2517758 TWCKHWLVVDGDHV-UHFFFAOYSA-N 359.597 5.196 0 40 FKAB CCN(CC)c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1 3445099 VHGIKIKGTWVLFR-UHFFFAOYSA-N 354.469 5.122 0 40 FKAB C[C@@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@@H](OCc4ccccc4)CC[C@]3(C)[C@@H]1CC2 3850200 XVAQUNQDQASSEH-NQVVJALKSA-N 366.589 7.005 0 40 FKAB CCCC[C@H](CC)CNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699961 UOKJYKAECCVMTM-OALUTQOASA-N 374.569 5.497 0 40 FKAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1 4854526 ZRGOKZVFIZCNTF-HXUWFJFHSA-N 365.864 5.087 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1 5023425 IJUPJLQHANOUJT-UHFFFAOYSA-N 367.374 5.723 0 40 FKAB C1=C(CCn2c(-c3ccccc3)nc3nc4ccccc4nc32)CCCC1 5030291 MYIMSGWCGYCRTP-UHFFFAOYSA-N 354.457 5.537 0 40 FKAB Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)N[C@@H](C)c1ccccc1 5234455 RKGFLZVYPSIHFA-LBPRGKRZSA-N 374.267 6.053 0 40 FKAB CCCC(=O)N(Cc1ccccc1)c1nc2c(OCC)cccc2s1 5299684 PRMNXEVAQOUTEL-UHFFFAOYSA-N 354.475 5.028 0 40 FKAB COc1ccccc1Nc1ccccc1C(=O)Nc1ccccc1Cl 5586929 SPGXCPZVLZRRTM-UHFFFAOYSA-N 352.821 5.345 0 40 FKAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1-c1ccccc1 8041718 VLFGCHPLJNZUDG-FQEVSTJZSA-N 361.441 5.158 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 8163959 WHMMACMYRZFZJT-UHFFFAOYSA-N 365.454 5.107 0 40 FKAB O=C(Nc1ccncc1)c1sc(-c2ccccc2)nc1-c1ccccc1 10126288 RMJZRNZZGZBXPZ-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB Cc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c(Cl)c1 12853579 UFFVCDDFROMTGR-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB Cc1nc(N(C)Cc2ccccc2Cl)c2c3c(sc2n1)CCCCC3 13095631 BDLJBZVTQUUSFD-UHFFFAOYSA-N 371.937 5.558 0 40 FKAB CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13408526 ORZBNFZTRWEXII-XWJVLSSFSA-N 360.538 5.310 0 40 FKAB biogenic Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 13701111 PWRBRVPARCAGKT-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB Clc1ccc(COc2ccccc2CNCCc2ccccc2)cc1 16479393 CQPWGLACNBMCRE-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB COc1ccc(-c2noc(-c3ccc(CSc4ccccc4)o3)n2)cc1 16845871 YDXWZDNYVZGEMO-UHFFFAOYSA-N 364.426 5.298 0 40 FKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2cccs2)nc2ccccc12 17072778 LWEILWOTPCQRNO-GASCZTMLSA-N 350.487 5.366 0 40 FKAB CCCCc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 17271333 LHVJTFZCMWPZQP-UHFFFAOYSA-N 361.424 5.041 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](N5CCCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2O 17325215 CKLNKKSOWCISAB-SGLYVMGASA-N 359.598 5.245 0 40 FKAB Cc1ccc2[nH]c(SCC(=O)c3ccc(-c4ccccc4)cc3)nc2c1 18004207 FWMDNUAQWYKUOL-UHFFFAOYSA-N 358.466 5.513 0 40 FKAB CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1c(Cl)cccc1Cl 20467853 HWFXTYKXGNCZBL-UHFFFAOYSA-N 365.260 5.230 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1Cl 20672161 NKWQTMNRRUUCLW-UHFFFAOYSA-N 369.827 5.236 0 40 FKAB CCCCNc1cc(C(C)(C)C)nc2c(-c3ccc(F)cc3)c(C)nn12 21799260 PSDZUJNJKRVADY-UHFFFAOYSA-N 354.473 5.353 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 29484048 HTPSAVZYBUWONZ-QFIPXVFZSA-N 364.533 5.491 0 40 FKAB O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1ccc(Cl)cc1 30367021 WTNABTQFSYXCRX-GFCCVEGCSA-N 370.699 5.141 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 32101503 OYFRSNAIXJMCCM-UHFFFAOYSA-N 359.256 5.280 0 40 FKAB Cc1ccc(C)c(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 48332925 FADJUGGCPFNWTP-UHFFFAOYSA-N 361.510 5.765 0 40 FKAB CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635328 JWZBJPJOCCBUJX-UHFFFAOYSA-N 352.242 5.447 0 40 FKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cccc(Br)c1 95917332 MMSXMWMBLNSJBD-UHFFFAOYSA-N 353.215 5.472 0 40 FKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2[C@H]1c1cccs1 100689351 FGTOGVSRWGKPNV-LJQANCHMSA-N 356.454 5.063 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 101309049 KTTNDFBJUZZYFH-QRWLVFNGSA-N 358.869 5.036 0 40 FKAB Cc1ccc(COc2ccccc2CNc2ccc(F)c(Cl)c2)cc1 106975222 ZIBUGGHDVYUAGP-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1 216298963 JFSANVXQOOBCFI-HXUWFJFHSA-N 370.279 5.821 0 40 FKAB CC(C)Sc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219655432 VGRWZZCTPAXCNC-KRWDZBQOSA-N 355.503 5.219 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 222927336 MPYQXBDELSGHBM-OAQYLSRUSA-N 351.490 5.121 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(C)c1 223241232 YJDWZKRQHVTFRX-VQIMIIECSA-N 357.519 5.060 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225736696 CLRUJSVLQIHWRL-QFIPXVFZSA-N 363.542 5.508 0 40 FKAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225794425 HRSFLYOALJZFPH-JOCHJYFZSA-N 357.494 5.264 0 40 FKAB CCCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225859521 ADFUFPNPPUMIPV-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 408623394 TUWRVXACCNXIPD-UHFFFAOYSA-N 368.658 5.142 0 40 FKAB COC(=O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc12 639012 IKBPPOSMSPXSFP-UHFFFAOYSA-N 365.212 5.414 0 40 FKAB biogenic FC(F)(F)c1cccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c1 831979 OABUIXARASWQHH-UHFFFAOYSA-N 365.358 6.059 0 40 FKAB CCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 860943 PXRLTYAVUYEQOL-UHFFFAOYSA-N 359.256 5.665 0 40 FKAB CN(c1ccccc1)c1c(-c2ccccc2)c(=O)oc2c1ccc1occc12 1618931 LQLVTFUDSZJKLC-UHFFFAOYSA-N 367.404 5.974 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2ccccc2)c(C(C)C)c1 2027093 FZSMEEMXNODQED-UHFFFAOYSA-N 360.519 5.825 0 40 FKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 3097547 NFRFWDXNJNCCSM-OAQYLSRUSA-N 362.860 5.674 0 40 FKAB Cc1cc(C)c(C)c(COc2ccc3c4c(c(=O)oc3c2)CCCC4)c1C 3219992 IHBQCABIBACXMS-UHFFFAOYSA-N 362.469 5.484 0 40 FKAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3Cc3ccccc3)cc2C1 3369321 XYKMZFROGPACEW-INIZCTEOSA-N 361.510 5.716 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CCC2 3885040 IQSZSIBCBOQZIZ-VAWYXSNFSA-N 367.807 5.602 0 40 FKAB Fc1cccc(F)c1-n1c(COc2ccc(Cl)cc2)csc1=S 4054517 LWMCBACGAPCIDS-UHFFFAOYSA-N 369.845 5.779 0 40 FKAB CCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)ccc1C 4849241 UKHLIEUTEPLYJD-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 5954075 JBTCIDJZPRQVEI-HNNXBMFYSA-N 371.440 5.656 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 6236156 JJFGWTRZDDTGRA-UHFFFAOYSA-N 373.521 5.637 0 40 FKAB Oc1ccccc1-c1nc(/C=C/c2ccccc2Cl)nn1-c1ccccc1 6598326 HZMBLJGFVCVFFB-CCEZHUSRSA-N 373.843 5.464 0 40 FKAB aggregator CC[C@H](C)NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 8326780 WSKIFIXAPSZSSH-ZDUSSCGKSA-N 368.304 5.469 0 40 FKAB COc1c(C)cnc(-c2sc(Nc3ccc(Cl)cc3)nc2C)c1C 8715585 IXCUDPHUGHLNFG-UHFFFAOYSA-N 359.882 5.536 0 40 FKAB CCN(Cc1ccccc1)Cc1c(C)nc2c(C)c(Cl)ccc2c1O 8717150 HKWHDRRUKBDSGQ-UHFFFAOYSA-N 354.881 5.233 0 40 FKAB Cc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 8990692 UEVVNDYRUBOTER-GGAORHGYSA-N 367.533 5.419 0 40 FKAB Cc1c(Cc2ccccc2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9047516 CYXGGCNDARHUOB-UHFFFAOYSA-N 374.480 5.720 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 10336993 FDVWMVYVQBCOFI-UHFFFAOYSA-N 367.901 5.814 0 40 FKAB FC(F)Oc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12599835 DPRIAVDJKXFAGK-FQEVSTJZSA-N 363.367 5.277 0 40 FKAB COc1ccc2c(-c3ccccc3)c(-c3nc4ccccc4nc3C)oc2c1 16265570 KXTIIEQWAVXKEU-UHFFFAOYSA-N 366.420 6.027 0 40 FKAB Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 19691880 JCKCLFXDLUEBFF-OAQYLSRUSA-N 374.528 5.043 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20049011 ABWHCDNTBIIDHL-HNNXBMFYSA-N 371.786 5.463 0 40 FKAB O=C1CCCC[C@@H]1Sc1ncnc2scc(-c3ccc(F)cc3)c12 21671995 KCVFUJRQNSMAQY-HNNXBMFYSA-N 358.463 5.101 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237726 YVLJQJMCFHMZOW-UHFFFAOYSA-N 371.893 5.434 0 40 FKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(-c2ccsc2)n1 32753950 MHFIUANUWGVQOF-GFCCVEGCSA-N 368.483 5.451 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 44901812 JYZIWNSZGOGAPD-SFHVURJKSA-N 366.288 5.519 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(-c2ccncc2)n1 62637620 WYZWCHXOHJLNKG-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB CC(C)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C(C)C 72212993 IBJCFQWNAPVCKY-OAQYLSRUSA-N 365.521 5.072 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72214978 NRSXOTMCVAQGOU-GOSISDBHSA-N 361.530 5.169 0 40 FKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(Cl)cc2c1Cl 72329785 UBJOXQAIEHNXDC-UHFFFAOYSA-N 372.660 5.028 0 40 FKAB CC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 101637121 KIXGFZRPUASEFM-CQJMVLFOSA-N 371.524 5.462 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccccc1-c1cn2ccccc2n1 206897079 CZMXYWOYTRDWTN-UHFFFAOYSA-N 373.481 5.122 0 40 FKAB Cc1nc(-c2ccccc2NC(=O)c2cc(-c3cccs3)on2)cs1 208009927 QSVGXVRSMAFCBC-UHFFFAOYSA-N 367.455 5.087 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cl)cc1 222912193 KXPUQCAAEOQMPN-IBGZPJMESA-N 359.897 5.111 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1C 223011109 FZEKKZVWWZISQK-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223196936 NDXIONAHKHSQSH-DLBZAZTESA-N 365.517 5.118 0 40 FKAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 223892623 UDVTUIOTYYQHQF-QGZVFWFLSA-N 353.506 5.111 0 40 FKAB Cc1ccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1C 224020611 KHIFQBXNCZRLDC-UHFFFAOYSA-N 359.425 5.012 0 40 FKAB CCCc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 224040578 WBAFLCDYCWVRGQ-UHFFFAOYSA-N 367.533 5.064 0 40 FKAB O=C(CCc1cccc(Cl)c1)N(CCc1cccs1)Cc1ccco1 225617097 HEBLAOKKAXDSDX-UHFFFAOYSA-N 373.905 5.199 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 225742486 HWTLQGDOTOBUJK-QGZVFWFLSA-N 367.533 5.193 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2ccccc12 225794317 PRTWZBGITAFMMC-KSFYIVLOSA-N 357.494 5.407 0 40 FKAB S=C(Nc1ccccc1Cl)NC1(c2ccccc2Cl)CCCC1 225844023 ICADYXBDNJDOHH-UHFFFAOYSA-N 365.329 5.749 0 40 FKAB Ic1cccc(-c2nc3c(ccc4ccccc43)o2)c1 226300291 WZFMUVCTKFDDOD-UHFFFAOYSA-N 371.177 5.253 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 408566415 NVCGBSMWCVOJJS-QGZVFWFLSA-N 363.482 5.739 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)c1 409175500 ZLTYVEWHJNUPNQ-UHFFFAOYSA-N 352.817 5.447 0 40 FKAB COc1ccc2ccccc2c1[C@H]1Nc2ccc(C)cc2-c2cc(C)nn21 627851 NOMPKYSKCOLZOD-QHCPKHFHSA-N 355.441 5.301 0 40 FKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1C 686934 CUVULVGYUMNCNZ-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB O=C(Nc1ccccc1)OCc1cccnc1Sc1ccc(Cl)cc1 1388848 NESANQBTNNZHKK-UHFFFAOYSA-N 370.861 5.635 0 40 FKAB CCN(CC)CCSC(=S)N1c2ccccc2Sc2ccccc21 1678384 MICZDVBNDKRSSR-UHFFFAOYSA-N 374.600 5.649 0 40 FKAB Clc1ccccc1COc1ccc(Nc2ncnc3ccccc23)cc1 1773068 HHKLLNHCPPDADX-UHFFFAOYSA-N 361.832 5.606 0 40 FKAB CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccco1 1789052 GETWNQOWIDFJQQ-QFIPXVFZSA-N 371.521 5.635 0 40 FKAB biogenic O=c1c(OCc2ccccc2Cl)c(-c2ccccc2)oc2ccccc12 1789908 UNRSKFOYFRTHFK-UHFFFAOYSA-N 362.812 5.692 0 40 FKAB Clc1ccc(-c2nc(Oc3ccccc3)c3ccccc3n2)c(Cl)c1 2269719 MQCAWRXKGSIXON-UHFFFAOYSA-N 367.235 6.396 0 40 FKAB O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1 2576851 WAUOEHQGZPKJPJ-UHFFFAOYSA-N 367.231 6.434 0 40 FKAB biogenic C(=C/c1ccc(Oc2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1 3204740 LZJZCZPVUPKZQM-PHEQNACWSA-N 374.483 7.820 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccccc1 3304742 CKMFZIOFJKDCSS-VQHVLOKHSA-N 366.313 5.056 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2c(s1)-c1ccccc1CC2 4060536 LODIDHJZHATHFC-UHFFFAOYSA-N 374.292 6.073 0 40 FKAB CCN(CC)c1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1 4138904 LWYRQRGSLIIBPZ-UHFFFAOYSA-N 355.482 5.847 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1cccc(F)c1)c1c(C)[nH]c2ccccc12 4349548 PNKCPNHERFOFKW-UHFFFAOYSA-N 368.455 6.585 0 40 FKAB C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 4652816 YOCSCRSTBWZYLM-BMEPFDOTSA-N 350.289 5.012 0 40 FKAB O=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O 4711783 HUECFCSRZKSRJF-UHFFFAOYSA-N 362.410 5.111 0 40 FKAB O=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)c1cccs1 5274215 JUOZCQOUMAEXSF-UHFFFAOYSA-N 374.509 5.114 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4C[C@H]5CC[C@@H]4C5)cc3)sc2c1 5942864 UVHJYUXCTGXORP-YXJHDRRASA-N 362.498 5.646 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1C 6260857 UYRYSAZNALLZQB-UHFFFAOYSA-N 374.868 5.780 0 40 FKAB Cc1cccc(CSCC(=O)NC(c2ccccc2)c2ccccc2)c1 6288989 BDEGTDUFFDQMEZ-UHFFFAOYSA-N 361.510 5.134 0 40 FKAB CCCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 7261249 RCBJKKWJGDBBKN-UHFFFAOYSA-N 365.876 5.347 0 40 FKAB COc1ccc(OC)c(-c2csc(Cc3nc4ccccc4s3)n2)c1 7644027 PQCYGBGBOJQXQG-UHFFFAOYSA-N 368.483 5.028 0 40 FKAB C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 7699828 SQDIKMWDMXZNKG-INIZCTEOSA-N 365.860 5.410 0 40 FKAB C/C=C/c1c(F)c(F)c(Oc2ccc(C(=O)OCC)cc2)c(F)c1F 7778160 JIHHXUUSTKYNKY-HWKANZROSA-N 354.299 5.245 0 40 FKAB Cc1ccc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 8274155 SMYMFQQNYDJDAF-UHFFFAOYSA-N 370.528 5.257 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120020 GPYKRFQFUZLAAD-UHFFFAOYSA-N 372.424 5.070 0 40 FKAB Cc1c2c(nc3nc4ccccc4n13)C[C@H](c1ccc(C(C)C)cc1)CC2=O 20635338 ZUNVBYVGJLBISW-SFHVURJKSA-N 369.468 5.227 0 40 FKAB CC(C)c1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c(O)c(C(C)C)c1 32721305 CVFPEJDSCSJQOZ-CQSZACIVSA-N 357.416 5.054 0 40 FKAB CCOC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 40164045 VVNSORIEQFTJIC-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)c(C)c1 44856555 ZNJHKKRNQNQILX-QHCPKHFHSA-N 364.533 5.170 0 40 FKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 72229867 ORBFYLAFALXNMW-IBGZPJMESA-N 372.251 5.327 0 40 FKAB CC(=O)Nc1c(C)ccc(NCc2cc3ccccc3nc2Cl)c1C 79183678 MOGYPYCSRPWRQJ-UHFFFAOYSA-N 353.853 5.076 0 40 FKAB Cc1[nH]c(-c2ccc(-c3cccc(Cl)c3)s2)nc1-c1ccccc1 95468344 KPTUSUIKYGQTAA-UHFFFAOYSA-N 350.874 6.434 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H]4C(F)(F)[C@@]45C=CCC[C@]5(C)[C@H]3CC[C@]12C 118936520 SGMJHXMWTPRENE-DDYSHWNRSA-N 364.476 5.372 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222970457 BYHPJYCZUUYQCX-WZONZLPQSA-N 365.517 5.217 0 40 FKAB CCCCOc1c(C)cc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225721477 ANAKVHSHCREDEI-UHFFFAOYSA-N 361.526 5.406 0 40 FKAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225801322 FXQYWPOWZNCWGC-QFIPXVFZSA-N 357.494 5.408 0 40 FKAB CC(C)Oc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225867334 FKYREDNSQIZACX-UHFFFAOYSA-N 360.548 5.291 0 40 FKAB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1C(C)(C)C 409122646 APLWLTYKAKJPOL-LDADJPATSA-N 374.550 5.477 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1cc(-c2cccs2)nc2ccccc12 669162 UBTMHGLNYVMMCQ-UHFFFAOYSA-N 366.392 5.494 0 40 FKAB CC[C@@H]1CCCCN1C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 854721 LNGMHFCRZNIVBN-GFCCVEGCSA-N 367.276 5.362 0 40 FKAB Brc1ccc2nc(-c3ccccc3)c(NC3CCCC3)n2c1 904199 NMXYKUSCTITNLL-UHFFFAOYSA-N 356.267 5.118 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)o1 1453771 YHUCPPGUICXRCA-GHTZIAJQSA-N 364.832 5.484 0 40 FKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1c2ccccc2Oc2ccccc21 1480368 QUQPMWUCVSHBJK-OAHLLOKOSA-N 373.427 5.431 0 40 FKAB CC(C)(C)NC(=O)O[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 2193191 YYKFDERYBVOISD-OAHLLOKOSA-N 361.894 5.613 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2n1 2652273 YARXGZCQBHKRSD-UHFFFAOYSA-N 350.727 5.159 0 40 FKAB Cc1ccc(CCS(=O)(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cn1 3077522 MIYFQVVPTWPMHI-UHFFFAOYSA-N 373.562 5.001 0 40 FKAB CCN(C(=O)CSc1nc2ccccc2o1)c1cccc2ccccc12 3618896 YGDWQFAXSHOGAM-UHFFFAOYSA-N 362.454 5.126 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4039881 TUBALTJVBXBDRU-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4560691 PWAZGDDIPKSKDG-UHFFFAOYSA-N 361.485 5.415 0 40 FKAB Cc1ccc(SCCC(=O)Nc2nc(-c3cccs3)cs2)cc1 5191077 OEUKRKDCNHRTHX-UHFFFAOYSA-N 360.529 5.301 0 40 FKAB CCCCCCc1ccc([C@H](O)CN(CCCCC)CCCCC)cc1 5524340 HMWWHLOFHWNWJO-XMMPIXPASA-N 361.614 6.525 0 40 FKAB CC(C)CCOc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1 5798234 SNXGMVLUAWKUSA-GHRIWEEISA-N 365.429 5.268 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc(C)c(C)n1CC(C)C 8392630 PGBNHIHUOQQJFD-UHFFFAOYSA-N 373.566 5.319 0 40 FKAB O=C(CCC(=O)OCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 8475422 WEIMPKIKLFWOAV-UHFFFAOYSA-N 373.408 5.048 0 40 FKAB COc1cccc(-c2nc(-c3nc4ccccc4s3)cs2)c1OC 8981285 BJOZXCDOOFPUGS-UHFFFAOYSA-N 354.456 5.104 0 40 FKAB C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(C(C)(C)C)cc1 10275891 HPAXHCSXKBKYJB-MRXNPFEDSA-N 371.480 6.375 0 40 FKAB Cc1oc(-c2cccs2)nc1COc1ccccc1Br 11338328 IZGFZJASNWQVBI-UHFFFAOYSA-N 350.237 5.053 0 40 FKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1C 11666855 ZLHKULWJUNECOI-UHFFFAOYSA-N 353.849 5.788 0 40 FKAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)C3CCCCC3)cc12 11866238 UGMKSXPSAJGXSR-UHFFFAOYSA-N 362.425 5.254 0 40 FKAB biogenic CCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)sc1C 12594305 UQWKANHGJUJSNX-HNNXBMFYSA-N 356.516 5.206 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3ccccc3C(F)(F)F)nc12 12757966 JDUAYBIAFOZOBR-UHFFFAOYSA-N 350.365 5.184 0 40 FKAB CCOc1ccc(OCC)c(NC(=O)c2cc(Cl)ccc2Cl)c1 12948639 ZSQRFBGAGVAAQR-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Fc1cccc(/C=C2\CCCC3=C2NC(=S)N[C@H]3c2cccc(F)c2)c1 13636091 VSFDQQLOLZOVPE-HKFHZZIHSA-N 368.452 5.005 0 40 FKAB Clc1ccc(COc2cccc(CNCc3ccccc3)c2)c(Cl)c1 16480134 FTKSYBZMBRKKJD-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 17369125 XDCMIWLUKXJSOO-QGZVFWFLSA-N 355.437 5.442 0 40 FKAB O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(C(F)(F)F)cc1 19927063 YHPKEAQNMOHWFD-OAHLLOKOSA-N 357.784 5.137 0 40 FKAB CCSc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 20493607 WWMZKXCMNCDFTL-UHFFFAOYSA-N 351.924 5.573 0 40 FKAB Clc1ccc(-c2cc(CSc3nccn3C3CC3)on2)c(Cl)c1 22286938 XPSZVJLMMCXIIP-UHFFFAOYSA-N 366.273 5.472 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)c(F)c1F 28210647 KMHLHIIPKAUVNI-UHFFFAOYSA-N 359.372 5.507 0 40 FKAB CCC(CC)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 28284539 WPOYVJSMFWXUJN-UHFFFAOYSA-N 350.487 5.852 0 40 FKAB CCOc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 39892906 SRUVUXYNXLBPLF-UHFFFAOYSA-N 357.837 5.283 0 40 FKAB Cc1ccc(NC(=O)Nc2cccc(Oc3ccc(C)nn3)c2)c(Cl)c1 44213748 RTTMZFYLVITRDB-UHFFFAOYSA-N 368.824 5.183 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C 57279582 PYQUFYJFTVHIAV-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB CCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215638 RKDCXBDHDQHOLZ-LJQANCHMSA-N 373.541 5.313 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217698 YJNKVJPXDOOYSS-NRFANRHFSA-N 374.509 5.600 0 40 FKAB CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl 106980014 CGSSYBZIUGLUEK-UHFFFAOYSA-N 365.087 6.311 0 40 FKAB CC(C)[Si](C(C)C)(C(C)C)N1c2ccccc2Sc2ccccc21 169808692 AMFVEBXDYMVBQK-UHFFFAOYSA-N 355.623 7.465 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969829 MTXCDYZXZPRPFR-BTYIYWSLSA-N 371.908 5.254 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 222979864 ZNFMOEMILNVFKS-AWEZNQCLSA-N 359.897 5.527 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 253459940 PIHPTCBBDQJQGV-VMPITWQZSA-N 360.162 5.664 0 40 FKAB Fc1ccc(CNC(=S)c2cccc(OCc3ccc(F)cc3)c2)cc1 408571203 ACUXCPDPBWDHHM-UHFFFAOYSA-N 369.436 5.009 0 40 FKAB O=C(O)c1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 409193609 HSOSKKLYKXCKEW-UHFFFAOYSA-N 361.422 5.241 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 648436 BCBOPHUXZZBHRY-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2Cl)o1 1018994 BQXNBKAUGGYHHH-UHFFFAOYSA-N 371.820 5.081 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)cc1 1507780 JWISVJZKMFADIH-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Cc1ccc(C(=O)c2ccccc2Cc2cccc3ccccc23)cc1C 1656977 KCFHSFNVCBQLGB-UHFFFAOYSA-N 350.461 6.278 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1959239 WLWKKXMUWJETLO-RUDMXATFSA-N 355.743 5.019 0 40 FKAB COc1ccccc1[C@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccco1 2296212 GXIGDOSVBBYTLJ-JXFKEZNVSA-N 369.892 5.814 0 40 FKAB CC1(C)C[C@@](C)(c2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 2306275 XBABPZAWUGEOFX-VWLOTQADSA-N 373.471 5.961 0 40 FKAB CCCSc1nc(SCC)c2c3c(sc2n1)CO[C@](C)(CC)C3 2335638 BBLQUWFSLMCNDS-QGZVFWFLSA-N 368.593 5.547 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)C1CCCC1 2351876 WSGWWTADLQODTQ-DEOSSOPVSA-N 369.508 5.866 0 40 FKAB Cc1c(C(=O)Nc2ccc(Cl)cc2F)oc2c1ccc1ccccc12 2647612 ITMYTHMLPVKIEP-UHFFFAOYSA-N 353.780 5.939 0 40 FKAB Cc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1 2688831 DAHJULKYVBVCAM-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(Cl)c1 3099352 GHUVQQGCKQDHAR-UHFFFAOYSA-N 369.298 5.334 0 40 FKAB CCn1cc(SCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 4060563 OBEMYPDQXPPJDC-UHFFFAOYSA-N 352.503 5.317 0 40 FKAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3ccc(F)cc3)cc12 4340794 CEQPIIBUBHNZBD-UHFFFAOYSA-N 374.367 5.127 0 40 FKAB biogenic c1ccc(C(c2ccccc2)c2nn3cc(-c4cccs4)nc3s2)cc1 4663800 SNLNGCYMMAARTA-UHFFFAOYSA-N 373.506 5.700 0 40 FKAB O=C(Nc1ccc2oc3c(c2c1)CCCC3)NC12CC3CC(CC(C3)C1)C2 4698364 ADTAROIKYBZUQC-UHFFFAOYSA-N 364.489 5.402 0 40 FKAB C[C@@H](CCCCCOC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 4990608 FFJQKGNGQLKOOI-KRWDZBQOSA-N 370.449 5.433 0 40 FKAB Cc1cc(C)c2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 5191527 FEFDGZRPOVVJMO-UHFFFAOYSA-N 362.907 5.297 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 5499446 SYNWHMQXNFPFGS-UHFFFAOYSA-N 351.519 5.380 0 40 FKAB Cc1cc(C)c(NC(=O)COc2cccc(Cl)c2Cl)c(Cl)c1 6789463 OFOMPSHXVDZANZ-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB CCN(C(=O)CSCCOc1ccccc1)c1cccc2ccccc12 7003061 CJHVXOYCLISCGT-UHFFFAOYSA-N 365.498 5.005 0 40 FKAB c1ccc(-c2cc(CSc3nnc(C4CC4)n3-c3ccccc3)no2)cc1 7229857 ZXUZKXHOPGOJCQ-UHFFFAOYSA-N 374.469 5.092 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4cc(C)no4)c23)cc1 8315026 FKOMXVAEIDTTEU-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 12274729 NJPHLEHYFUZECI-UHFFFAOYSA-N 355.821 5.559 0 40 FKAB CCCOc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C 12894024 VVQLEVDVJPOJDS-UHFFFAOYSA-N 358.488 5.221 0 40 FKAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 22072565 UCAHEEAOPHIQNC-UHFFFAOYSA-N 372.255 5.693 0 40 FKAB Cc1cccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn23)c1 27584892 WJPAUEYCEXYPGW-UHFFFAOYSA-N 356.473 5.880 0 40 FKAB O=C(Nc1ccc(SC2CCCC2)cc1)c1cc2ccccc2oc1=O 30183664 MEDOUIFHVZPGFE-UHFFFAOYSA-N 365.454 5.080 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCCC1 30755161 KMSOMPGREJHDKU-FQEVSTJZSA-N 371.546 5.179 0 40 FKAB CN(C)C(=O)Oc1ccccc1CSc1ccnc2cc(Cl)ccc12 30952962 JVCBKJRUGFNDBE-UHFFFAOYSA-N 372.877 5.241 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 38772572 BOFMNCCDDVWEEB-ZDUSSCGKSA-N 366.288 5.201 0 40 FKAB CCc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1 70134370 HGDPEQAEJUINLQ-NSHDSACASA-N 366.686 5.156 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217629 VBYRJUFDWPBWGF-GOSISDBHSA-N 370.518 5.695 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 216368444 VLDXGLDCALYIKT-SFHVURJKSA-N 374.267 5.943 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1C 219032053 GMJVAQBVTCHZHG-MBSDFSHPSA-N 361.485 5.491 0 40 FKAB Cc1ccc(N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 219856639 YTTJCDOULSFYFZ-UHFFFAOYSA-N 350.506 5.282 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCCSc1ccccc1 222682970 UYFZFRBLTOPIHL-UHFFFAOYSA-N 365.951 5.121 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)CCc1c(Cl)cccc1Cl 225365939 TVVUGXKGSBNVAS-UHFFFAOYSA-N 350.289 5.064 0 40 FKAB Fc1ccc(C2=N[C@H](c3ccccc3)c3ccccc3-n3cccc32)cc1 225374109 UQZNVPARBFYLNX-HSZRJFAPSA-N 352.412 5.557 0 40 FKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)NC2CCCCC2)cc1 225758086 NXIMCDXNGBXRHO-UHFFFAOYSA-N 374.868 5.595 0 40 FKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(C2CC2)CCCC1 225859975 NEYWHXNYNIBGOO-UHFFFAOYSA-N 373.747 5.112 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(C)CCCCC2)cc1C(F)(F)F 225954931 VMWMUJRVNGYVLO-UHFFFAOYSA-N 357.416 5.649 0 40 FKAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc(-c2cccs2)cc1 390830993 OWOMCARBRPWZMY-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB CCc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408927348 ZROVNUDOBZJHAJ-CAPFRKAQSA-N 361.872 6.082 0 40 FKAB Clc1ccc(Cl)c(SCSc2cc(Cl)ccc2Cl)c1 2362803883 YKDALKPNSFNGKS-UHFFFAOYSA-N 370.153 7.142 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccc(Br)c(Cl)c1 675207 JCRHEPDJEDQZGF-UHFFFAOYSA-N 374.665 5.437 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)o1 997258 KHYLELTTYBOQPP-INIZCTEOSA-N 356.425 5.294 0 40 FKAB Fc1ccc(-c2nnsc2Sc2ccc(Br)cc2)cc1 1385738 IWOXDFPQXRCJGC-UHFFFAOYSA-N 367.268 5.258 0 40 FKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCC(C)C)ncnc32)c1 1447700 SPSMQBXDXJSKIS-UHFFFAOYSA-N 356.473 5.464 0 40 FKAB CN(C)CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1758890 DUXSZTVKCUAERV-HSZRJFAPSA-N 373.496 5.055 0 40 FKAB CCO[C@@H](c1ccccc1)n1c2ccc(Cl)cc2c2cc(Cl)ccc21 1874005 QNJGBGFYPJTAHF-NRFANRHFSA-N 370.279 6.685 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)c1 2070607 FEWYZVWLMSKYGK-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB Cc1ccc(C(=O)[C@H](Sc2nnc3ccccn23)c2ccc(C)cc2)cc1 2626648 JFSUNAPWNKFESU-OAQYLSRUSA-N 373.481 5.062 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 3334275 MOFJLXRKZVOEQZ-UHFFFAOYSA-N 366.141 5.333 0 40 FKAB S=C(Nc1ccccc1)N1C[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 3846232 MVFHGMJMPOTYGN-RBBKRZOGSA-N 358.510 5.614 0 40 FKAB biogenic CCOc1cccc2sc(NC(=O)Cc3cccc4ccccc34)nc12 4069835 GJPJIBWAUYFUBO-UHFFFAOYSA-N 362.454 5.029 0 40 FKAB Cc1cccc2c1NC(=O)/C2=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5547583 LFNJOSFPQHUEGC-GDNBJRDFSA-N 370.235 6.055 0 40 FKAB Cc1cc(F)ccc1NC(=O)c1oc2ccc(Br)cc2c1C 5617629 VZRJEPJPKRKVBH-UHFFFAOYSA-N 362.198 5.204 0 40 FKAB O=C(CNc1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 5936602 RPNMPJVIYYKGNS-UHFFFAOYSA-N 363.166 5.063 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 6558815 UWQVJCQFGBBROG-UHFFFAOYSA-N 355.478 5.424 0 40 FKAB Fc1ccc([C@H](CCNCc2ccccn2)c2ccc(Cl)cc2)cc1 6669927 VJAJIMJRYVDRPO-OAQYLSRUSA-N 354.856 5.186 0 40 FKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1CCCCCC1 8280224 MSZIERFWQNCQTE-UHFFFAOYSA-N 364.464 5.309 0 40 FKAB C[C@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 8534272 JHIXHSSNCVGSFB-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB Cc1nnc(SC(c2ccccc2)c2ccccc2)n1-c1ccccc1 9157839 ZXFFDYPWGJSMBS-UHFFFAOYSA-N 357.482 5.457 0 40 FKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CCc1ccccc1 9553991 RCDSXWLGYMBQCQ-AUSIDOKSSA-N 370.496 5.598 0 40 FKAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1N(c1ccccc1)c1ccccc1 9730823 YPMDHKWUVJERSM-QHCPKHFHSA-N 360.501 5.664 0 40 FKAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(C)cc2C)cs1 12618918 XDZKVXJFENNIEX-UHFFFAOYSA-N 366.486 5.007 0 40 FKAB Cc1cc(C)c(NC(=O)c2occc2COc2ccccc2)c(Cl)c1 12927224 BBECUTXEEUFUMW-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCSc2ccccc2)c2ccccc2)cc1 15322053 MXYIXGZOEAMPRB-QHCPKHFHSA-N 361.510 5.383 0 40 FKAB Clc1ccccc1COc1ccccc1CNCCc1ccccc1 16479405 IEHAAPZXCVTCPE-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 18268861 QPBCSQWPMZUGAT-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB Clc1ccc(CNc2ccc(OCCc3ccccc3)cc2)c(Cl)c1 19738281 WPTWRXIQSVLKHQ-UHFFFAOYSA-N 372.295 6.227 0 40 FKAB O=C(c1ccccc1SCc1ccsc1)N1CCc2ccccc21 21278547 HRLPCGNUUWLSED-UHFFFAOYSA-N 351.496 5.243 0 40 FKAB CC(=O)Nc1cccc([C@H](C)NCc2ccc(-c3ccccc3F)s2)c1 28925004 QCHAECOOVCIIMT-AWEZNQCLSA-N 368.477 5.363 0 40 FKAB Clc1ccc(OCc2nnc(-c3ccccc3Cl)o2)c(Cl)c1 30823908 GVHSDIKEGZQSGK-UHFFFAOYSA-N 355.608 5.276 0 40 FKAB CCCC(=O)c1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12 33621521 WLEZGYFBNVXKIY-UHFFFAOYSA-N 370.452 5.416 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3Br)o2)cc1C 33668862 OZZHGKZHHMZEPH-UHFFFAOYSA-N 370.246 5.578 0 40 FKAB CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1CCCCC1 33953220 OFSPDNIHQQKLPZ-HZJYTTRNSA-N 361.614 7.249 0 40 FKAB in-man COc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)cc3Cl)c2c1 41156463 WHYXWFAXXOBGSQ-UHFFFAOYSA-N 350.201 5.309 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351356 IXPUWZMXXGSPNT-XMSQKQJNSA-N 367.533 5.636 0 40 FKAB O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 95939605 CMXBLZFXRUIUNU-MRXNPFEDSA-N 372.902 5.455 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221575 JULLALWIOTYSSL-VBKZILBWSA-N 373.949 5.577 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225365474 USGKTCMWMLYKMV-ZDUSSCGKSA-N 350.289 5.366 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225867829 WACCLTBDCUYXLJ-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1F 408576489 WENYFUUOPNWZOU-UHFFFAOYSA-N 351.446 5.679 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409013910 OKSCAJPPVDBWFB-SJPXOZHESA-N 367.470 5.100 0 40 FKAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCC(=O)c3ccccc32)o1 670789676 UWGVKLFTYMXTIC-VQTJNVASSA-N 365.473 5.046 0 40 FKAB COc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 680979 MKYYGDDPAPYFSL-UHFFFAOYSA-N 362.212 5.514 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 863660 KQHOHWNCJUFFIY-UHFFFAOYSA-N 361.470 5.265 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1OCC 936426 IGUYXWWLGDTKBR-CSKARUKUSA-N 373.880 5.406 0 40 FKAB Cc1ccc(Oc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)cc1 2622866 KQSWHZYESAVQJE-UHFFFAOYSA-N 373.239 5.741 0 40 FKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2974763 RQZPXUDHQIHDGL-UHFFFAOYSA-N 360.436 5.439 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@H]1CC1(c1ccccc1)c1ccccc1 3181504 XBWJDIDBBVALIY-XMMPIXPASA-N 363.460 5.785 0 40 FKAB O=C(N[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 3184507 MFTRODOJGRLSBH-ZDUSSCGKSA-N 363.071 5.181 0 40 FKAB FC(F)(F)c1cc(Oc2ncnc3sccc23)cc(C(F)(F)F)c1 3340220 DTGCNOODXCALEL-UHFFFAOYSA-N 364.270 5.521 0 40 FKAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCCCC3)cc12 3357286 ROIKETKMVCHISZ-UHFFFAOYSA-N 373.909 5.065 0 40 FKAB CC(C)CC[C@H](CCNC/C=C/c1ccccc1)[C@@H]1CCOC(C)(C)C1 4085194 KVPNTTYXOXZHSK-MGVRZVOUSA-N 357.582 5.937 0 40 FKAB biogenic Cc1nn(-c2ccc(Cl)cc2)c2nc(C(C)(C)C)cc(C(F)(F)F)c12 4739175 WGNKPGKVOKLNKQ-UHFFFAOYSA-N 367.802 5.699 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N[C@@H](C)c5ccccc5)(C4)C2)C3)cc1 4810375 DDOMKZNKWZOSMW-LPQUZFDESA-N 373.540 5.710 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 5230508 JKMWTLBCBAHXAC-XLFLEYEJSA-N 374.653 7.079 0 40 FKAB Cc1ccc2sc(-c3ccc(NCc4c[nH]c5ccccc45)cc3)nc2c1 5589385 JPFWLCTXBFNMNR-UHFFFAOYSA-N 369.493 6.365 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1c(Cl)ccc2ccccc12 5973198 NNZXYEMCKNJDJY-OAQYLSRUSA-N 361.957 6.209 0 40 FKAB FC(F)(F)c1nc(SCc2cccc3ccccc23)nc2c1CCCC2 6476734 NDTDWRYLSDLLQQ-UHFFFAOYSA-N 374.431 5.820 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6883328 NOPOAOVHNRYCDZ-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB FC(F)(F)c1ccccc1NC(=S)Nc1cc(Cl)cc(Cl)c1 6971741 FVRVBOCJNQRKQK-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB CCOc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccccc1 7539505 LIZMLKKULSXMIF-UHFFFAOYSA-N 369.549 5.969 0 40 FKAB Cc1cccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)c1 8854028 WCWFWMQGOBBMBU-UHFFFAOYSA-N 372.490 5.064 0 40 FKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(F)c(Cl)c1 9141672 AWCXFVVDJAVOKL-UHFFFAOYSA-N 361.844 5.544 0 40 FKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1C(C)C 13954948 XRRDEFCQBAJDGK-UHFFFAOYSA-N 362.267 5.142 0 40 FKAB O=C(CSCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 15186772 GASAAZNWBUEBLZ-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCCOc2ccc(Cl)cc2)c1 15492179 YVJUBVJKQRYLGF-OAHLLOKOSA-N 363.910 5.096 0 40 FKAB C[C@H]1CCCN(c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)C1 17245717 AIGNTCFCDMEXAL-INIZCTEOSA-N 366.892 5.704 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 22532009 HBJMESRJYLWUEC-SFHVURJKSA-N 350.506 5.294 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2cc3c(F)cccc3s2)cc1Cl 24152052 ALTCYHMWXYEGQI-UHFFFAOYSA-N 355.221 5.182 0 40 FKAB c1ccc(COc2cncc(Oc3ccc(-c4ccccc4)cc3)n2)cc1 24985380 QGAOTQYWALDEMH-UHFFFAOYSA-N 354.409 5.515 0 40 FKAB N#CC(=C/C=C/c1ccccc1)/C(O)=N/c1ccccc1Oc1ccccc1 33418137 MIQQWLDOYFBTEH-RDVIPMJXSA-N 366.420 6.230 0 40 FKAB CCc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc23)c1 44169580 INTZNEDUKUWDTH-UHFFFAOYSA-N 359.473 5.167 0 40 FKAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348626 VJCKSZJXHPUYGP-QFIPXVFZSA-N 370.496 5.001 0 40 FKAB O=C(Nc1nc2ccccc2s1)N(Cc1ccc(Cl)cc1)C1CC1 84603670 GKXVYSMACCSQMT-UHFFFAOYSA-N 357.866 5.146 0 40 FKAB COc1cc([C@@H](C)Nc2cnc3ccccc3n2)ccc1OC1CCCC1 84647991 PZCXZJWFLWXRIZ-OAHLLOKOSA-N 363.461 5.133 0 40 FKAB CCOc1cc(CNc2ccccc2)ccc1OCc1cccc(Cl)c1 107023525 QMCRBHMPLGXSRA-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Brc1c(OCc2ccccc2)cccc1OCc1ccccc1 196776789 CQHJPLIJQIKRBS-UHFFFAOYSA-N 369.258 5.607 0 40 FKAB C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCC2 223210825 VOVDPZMECOPNQY-IBGZPJMESA-N 369.508 5.575 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223398157 ZJSMRCHFEAJSKN-LJQANCHMSA-N 355.547 5.339 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N1CCS/C1=C/c1cccs1 225233870 RWZHCJKKCGITPS-NTEUORMPSA-N 356.299 5.243 0 40 FKAB CCOc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225519375 BJWDHYUPMHKGJL-UHFFFAOYSA-N 362.498 5.161 0 40 FKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(Cl)cc1 225611585 CRXHRCFNHOBFLH-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc2cccc(Cl)c2oc1=O 226039582 DYOFBOKSVKGOOW-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB Fc1c(F)c(F)c(-c2nc3cc(-c4ccccc4)ccc3o2)c(F)c1F 226293939 IZHYIMYMTVTXJI-UHFFFAOYSA-N 361.269 5.857 0 40 FKAB Cc1ccc(CC2CN(C(=O)Nc3cc(-c4cccnc4)ccc3C)C2)cc1 666967762 RBNHITFWCQLHJV-UHFFFAOYSA-N 371.484 5.072 0 40 FKAB O=c1oc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 715528 UYVHVZVFCQMUTO-UHFFFAOYSA-N 360.118 5.181 0 40 FKAB CC(C)CN(C(=O)C(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356427 RRKNGVNHRXDQMN-UHFFFAOYSA-N 359.539 5.148 0 40 FKAB CSc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)n1 1383057 SOJXXDALEDZPJC-UHFFFAOYSA-N 359.907 5.206 0 40 FKAB COc1ccccc1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 1791093 PDWYNDKIJCHYPO-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB COc1ccc([C@@H](Sc2ccccc2)[C@H]2CCc3ccccc3C2=O)cc1 2106388 YSYQPWBORRSKGM-LADGPHEKSA-N 374.505 5.974 0 40 FKAB O=C(CSc1nc2ccccc2s1)Nc1ccc2ccccc2c1 2198518 HMASXAZDMUWJMP-UHFFFAOYSA-N 350.468 5.180 0 40 FKAB COc1cccc(-c2nc(N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)c1O 2263888 VSMOWZPIDRUSGX-YOEHRIQHSA-N 363.461 5.002 0 40 FKAB Fc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)cc1 2689447 MNJBKDHEABVCKL-UHFFFAOYSA-N 353.400 5.391 0 40 FKAB CC(C)CC(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655313 WZSMFZAMPBDSIE-UHFFFAOYSA-N 355.821 5.302 0 40 FKAB CCOC(=O)c1c(NC(=O)CC)sc2c1CCCCCCCCCC2 3773534 QUKRRZLZDZXRJE-UHFFFAOYSA-N 365.539 5.493 0 40 FKAB O=C1O[C@@](Nc2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 4601979 QHVXLMCKAUATNR-FQEVSTJZSA-N 370.235 5.477 0 40 FKAB CC(C)C(=O)Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1 5000420 UGGLPBBCDHFIOZ-UHFFFAOYSA-N 362.804 5.001 0 40 FKAB CCc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459046 YILJBYRSIULZSG-GGAORHGYSA-N 371.459 5.884 0 40 FKAB CC1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 6515657 ODVCELKTYRTOBD-UHFFFAOYSA-N 374.484 5.094 0 40 FKAB CC(C)CCN(CCC(C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 6650826 IARSDDPTUMWDSN-HNNXBMFYSA-N 374.352 5.682 0 40 FKAB Fc1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1 7524924 FGQLVZAOSIQODW-UHFFFAOYSA-N 360.226 5.138 0 40 FKAB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1 8368109 LFBYMTOTJMRXLX-ZVHZXABRSA-N 359.425 5.331 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1O)C[C@H]2c1ccco1 8570224 LPVABECGBHSBRM-IBGZPJMESA-N 369.424 5.271 0 40 FKAB COc1ccc(/C=C/c2noc(C)c2NC(=O)c2cc(C)ccc2C)cc1 8705695 QSCJPMAEOPPRMF-FMIVXFBMSA-N 362.429 5.031 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1CCc1ccccc1 13688235 SPNUJGUJNUHWDH-UHFFFAOYSA-N 370.279 6.031 0 40 FKAB Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 15016075 SVNFXYVWHXDRJE-YLJYHZDGSA-N 350.418 5.130 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(F)ccc3F)ccc21 19074426 JFJPLHFQFQRJLJ-UHFFFAOYSA-N 350.368 5.345 0 40 FKAB COc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1OC 19864027 FRLJFFKHQLTZQS-HSZRJFAPSA-N 373.456 5.090 0 40 FKAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)o1 27281636 OPZVCTMLYZCOHJ-PXAZEXFGSA-N 368.864 5.343 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)Cc3cccc(F)c3)n2)cc1C 32995756 FKEAOYZTPZGJQD-UHFFFAOYSA-N 354.450 5.056 0 40 FKAB O=C(O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327599 WKHMRESISHTSPY-UHFFFAOYSA-N 369.520 5.080 0 40 FKAB O=C(CSc1ccc(Cl)cc1)N(Cc1ccccc1)c1nccs1 58247253 HTXTXGMIFQZNKV-UHFFFAOYSA-N 374.918 5.122 0 40 FKAB C[C@H](c1nc2ccccc2n1C(F)F)N(C)Cc1cccc2ccccc12 65541429 VQSRNIVFUJPYLE-OAHLLOKOSA-N 365.427 5.778 0 40 FKAB COCc1c(C(=O)Nc2cccc(Oc3ccccc3)c2)oc2ccccc12 68791491 OIJIPOYBYPOANQ-UHFFFAOYSA-N 373.408 5.624 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)N(Cc1ccoc1)Cc1cccs1 90612250 YSAGTXMVFXURCQ-UHFFFAOYSA-N 370.518 5.022 0 40 FKAB CC(C)(C)OC(=O)Nc1cc(OCc2ccc3ccccc3n2)cs1 96190613 CNLOZHGVOJHQLY-UHFFFAOYSA-N 356.447 5.222 0 40 FKAB Cc1c(C=O)c2ccccc2n1C(=O)C(c1ccccc1)c1ccccc1 216953083 NKEHSMAQCJIPGU-UHFFFAOYSA-N 353.421 5.235 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c(C)c1 222719314 FZRFNTKEVZOXAV-UHFFFAOYSA-N 368.329 5.791 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 224940613 QASBCVKQWFWXLW-PTGBLXJZSA-N 372.468 5.449 0 40 FKAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Oc1ccc2ccccc2c1 225083716 KJWNUMXMZCJPGK-KRWDZBQOSA-N 361.224 5.221 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1Br 225345192 IMDMRNZNCVCABM-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB CCO[C@](C)(CC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225686866 HQTXWGLLFWSGIU-JOCHJYFZSA-N 355.478 5.026 0 40 FKAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344822 COSJIMOPTOKBAU-UHFFFAOYSA-N 369.635 5.367 0 40 FKAB CC(C)Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccccc1 409109170 ZBUIXPZZCMOUOS-UHFFFAOYSA-N 373.525 6.047 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(C)c1 673107 SDHFLCQARPQPBN-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)[C@@H]12 1409531 QWRZTDIVFDZYDY-DENIHFKCSA-N 359.425 5.606 0 40 FKAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(NC4CCCCC4)c23)cc1 1447673 DEXDDKOHIYBOOP-UHFFFAOYSA-N 368.484 5.832 0 40 FKAB CCCCOc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1769992 OVJXDRLMESCJQC-UHFFFAOYSA-N 355.507 5.250 0 40 FKAB COc1cccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 1777259 UWTKSTORLGBKKQ-UHFFFAOYSA-N 367.861 5.764 0 40 FKAB Cc1cc(Sc2nc3ccccc3s2)c2ccc(Cl)c(C)c2n1 2191382 QMTKADBVSRDGES-UHFFFAOYSA-N 356.903 6.266 0 40 FKAB Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1Cl 2257703 SOOUWVLTWBFCOM-UHFFFAOYSA-N 360.804 5.191 0 40 FKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Oc2ccccc2)cc1 2696348 SJRJYKNBQMUSSM-LFIBNONCSA-N 374.465 5.005 0 40 FKAB O[C@H](COc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 3121241 KWYGSMXZCLPZGI-FQEVSTJZSA-N 367.448 5.388 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3ccc4nc(C)sc4c3)sc2c1 3175131 ZBIZMMXGTIOIJQ-UHFFFAOYSA-N 353.472 5.084 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)s2)cs1 3181387 ZRTIVVKDUAFLOX-UHFFFAOYSA-N 370.286 5.822 0 40 FKAB O=C(CSC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 4263054 JGBVJNCEWASPBR-UHFFFAOYSA-N 351.821 5.363 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)C12CC3CC(CC(C3)C1)C2 4614213 HIUOSBCSEKQGOC-UHFFFAOYSA-N 374.456 5.243 0 40 FKAB C[C@@H]1C(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 4652815 YOCSCRSTBWZYLM-PMDBGEGLSA-N 350.289 5.012 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OC 4694557 LMDKTRHDMVNQEE-XYOKQWHBSA-N 373.408 5.255 0 40 FKAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(OCc2ccccc2)cc1 4711057 MBGYNJRCPHURNH-UHFFFAOYSA-N 370.452 5.167 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Cc2ccccc2)cc1 4717724 UFEJMEGHUQHVDZ-UHFFFAOYSA-N 371.480 5.662 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)C3CC3)o2)cc1 4722502 DDEOGYDZMDNTFE-UHFFFAOYSA-N 361.445 5.050 0 40 FKAB CSc1ccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc1 4734117 CCTIOEYUYSPZEV-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 6318571 GDRSUXANIPYYKA-UHFFFAOYSA-N 360.457 5.577 0 40 FKAB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 8372265 DEWJHIPRJANQIA-OAQYLSRUSA-N 364.828 5.429 0 40 FKAB CSc1ccc(Cl)c(C(=O)NCCOc2ccc3ccccc3c2)c1 10995218 CXXNAYJHVYHIOV-UHFFFAOYSA-N 371.889 5.024 0 40 FKAB COc1cccc(-n2c(-c3ccc(C)cc3)cn3c4ccccc4nc23)c1 12523806 UILGCXTXAJIYOB-UHFFFAOYSA-N 353.425 5.262 0 40 FKAB CCn1c2ccccc2c2cc(CN(C)C(=O)Cc3ccsc3)ccc21 12608188 OKZFQYLDNNURCM-UHFFFAOYSA-N 362.498 5.077 0 40 FKAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 12758070 JXVZFNAHXDXASV-BEFAXECRSA-N 353.512 5.459 0 40 FKAB Cc1ccc2nc(NC(=O)c3csc(-c4cccs4)n3)sc2c1 13987425 ZDIMHDLBOYDTJH-UHFFFAOYSA-N 357.485 5.042 0 40 FKAB O=c1c2c3c(sc2[nH]c(=S)n1CCC1=CCCCC1)CCCCC3 17074329 MKBJFQFWXJTCRW-UHFFFAOYSA-N 360.548 5.280 0 40 FKAB Cc1noc2nc(C3CCN(C[C@@H]4CC=CCC4)CC3)cc(C(F)F)c12 19564986 HGAWCELWXQTZNU-CQSZACIVSA-N 361.436 5.005 0 40 FKAB c1ccc(-c2csc3nc(-c4cccs4)nc(-n4ccnc4)c23)cc1 20666745 NGYBYWDSHWOMRU-UHFFFAOYSA-N 360.467 5.273 0 40 FKAB Cc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)cc1 27584877 JONFRNMYNLJGRV-UHFFFAOYSA-N 356.473 5.746 0 40 FKAB CCCCCNC(=O)c1ccccc1CSc1nc2ccccc2o1 29504810 GWVJYFITVAZQLG-UHFFFAOYSA-N 354.475 5.040 0 40 FKAB Clc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1 30447184 JUSDQFQXMPTMCO-UHFFFAOYSA-N 351.656 5.288 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 30859433 RYUPMYMXABVYQW-ZEQRLZLVSA-N 373.496 5.367 0 40 FKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(F)(F)F 57316760 HYGDJHVYIRNMDE-UHFFFAOYSA-N 362.351 5.427 0 40 FKAB O=C(c1ccco1)c1coc2ccc(OCc3cccc(Cl)c3)cc12 96184251 MYCLLEQLVBARLJ-UHFFFAOYSA-N 352.773 5.489 0 40 FKAB CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100922899 HPZOHGFNBBOZSE-PVTMVUMOSA-N 371.571 5.386 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547384 PMFDUUVKFYORNX-UHFFFAOYSA-N 369.480 5.701 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225652743 WMTHWYZHMGEMIF-PGRDOPGGSA-N 363.542 5.876 0 40 FKAB O=C1S/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1CC1CCCCC1 409146261 SFVBCVGLMOTQGU-CPNJWEJPSA-N 367.470 5.563 0 40 FKAB FC(F)Oc1ccc2ccccc2c1CN1CCC[C@@H](c2nccs2)C1 2037850120 ZGZXEVMDZSYFHV-OAHLLOKOSA-N 374.456 5.277 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2cccc3ccc(C)nc23)c(C)c1 784039 CJUMOVUDKDXADY-KRWDZBQOSA-N 364.514 5.588 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 851904 GYGBXKRZNDRSCL-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB COc1cccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 855425 AINKXEPEWPXEIY-VGOFRKELSA-N 372.468 5.287 0 40 FKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Cl)cc1 865354 ORKZVJWPEPAKDD-UHFFFAOYSA-N 362.816 5.324 0 40 FKAB COc1cc(C=O)c(Br)cc1OCc1cccc2ccccc12 1099964 LOLXUFXQDGRDOL-UHFFFAOYSA-N 371.230 5.002 0 40 FKAB O=C1CCSc2ccc(Cl)cc2N1Cc1ccc(Cl)cc1Cl 1392665 ODXPJVAVHCZMDD-UHFFFAOYSA-N 372.704 5.676 0 40 FKAB Brc1cc(Br)c2[nH]c(-c3ccccc3)cc2c1 1555414 KLNUDQHISIUUAS-UHFFFAOYSA-N 351.041 5.360 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 2196400 LKSUZQVUAFFZMY-UHFFFAOYSA-N 350.389 5.996 0 40 FKAB CC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2234289 KSWIGNCZKYDXAJ-UHFFFAOYSA-N 368.480 5.922 0 40 FKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1Cl 3139937 HURNFZSVMMQHDL-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB CC(C)COc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 3205561 HFCBIJUTTBMLGM-UHFFFAOYSA-N 368.260 5.046 0 40 FKAB c1ccc(C(Nc2ncnc3c2oc2ccccc23)c2ccccc2)cc1 3301307 RNJQKCDXLWROFH-UHFFFAOYSA-N 351.409 5.578 0 40 FKAB CC(C)c1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)cc1 3911548 YMQLUCGBQXWANZ-UHFFFAOYSA-N 367.905 6.583 0 40 FKAB CN(C)c1ccc([C@@H]2[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccco2)cc1 4113822 YEQWUTURGFFZLM-HBMCJLEFSA-N 365.860 5.379 0 40 FKAB CC(C)(C)c1ccc(-c2nc(-c3ccccc3Br)no2)cc1 4550937 VINQMEBFXHZOHZ-UHFFFAOYSA-N 357.251 5.464 0 40 FKAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N(C)c1ccccc1 4826076 RXRIYGXFDMBKNH-LLVKDONJSA-N 362.907 5.093 0 40 FKAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 4910663 JKHVIHXYNHNPMM-AWEZNQCLSA-N 373.880 5.236 0 40 FKAB O=C(Cc1cccc2ccccc12)NCCc1ccc(Cl)cc1Cl 6085234 NPGOWJVECQFFFS-UHFFFAOYSA-N 358.268 5.048 0 40 FKAB Cc1cc2sc(NC(=O)c3cccc(OC(C)C)c3)nc2cc1Cl 6826380 ZZUHHTXOGHDJGG-UHFFFAOYSA-N 360.866 5.298 0 40 FKAB O=C(NC1CCCCCCCCCCC1)c1c(Cl)cccc1Cl 6925636 YQELGGSMSXUGRX-UHFFFAOYSA-N 356.337 6.397 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2)cc1 7593564 NAEONKBHUWWKMT-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1Cl 8475571 BNAJCPLZPLUMAI-UHFFFAOYSA-N 373.283 5.390 0 40 FKAB CCCCOc1ccc(-c2cc(-c3nc(-c4cccs4)no3)[nH]n2)cc1 11666711 MNINZOWIQLGSKM-UHFFFAOYSA-N 366.446 5.034 0 40 FKAB O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)s1 12602964 NGNYLDIUFQEBBV-UHFFFAOYSA-N 363.847 5.081 0 40 FKAB CCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13030740 NMFVXAHRUOOKJR-HXUWFJFHSA-N 362.561 6.967 0 40 FKAB N=C(N)c1ccc2c(c1)N[C@H](c1cccc(Cl)c1)[C@@H]1Cc3ccccc3[C@@H]21 13974155 CIYKSLZWCNNELN-BAGYTPMASA-N 373.887 5.095 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc(C)c1Cl 14399050 SIANHUOTSLMYKQ-LLVKDONJSA-N 372.679 5.670 0 40 FKAB Cc1ccc(C)c(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 19932363 WYMPWOBEILVPER-UHFFFAOYSA-N 365.860 5.930 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20050321 NDBSMPAOSBQREV-CTNGQTDRSA-N 353.506 5.283 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 20462209 PFJJAYOGORKWTD-DNVCBOLYSA-N 361.938 5.724 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CCCCC2)o1 22892403 OAFKAPIXZZBKDJ-ZDUSSCGKSA-N 369.490 5.271 0 40 FKAB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 35040438 HKBTZYQLOFJIJL-MHWRWJLKSA-N 359.903 5.363 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 78458069 RLVZGAWXKJFESH-IAGOWNOFSA-N 353.506 5.191 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2C(C)C)C1 118931924 BZAWVWWSERJTFM-AFGCANKYSA-N 360.582 6.233 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118933717 PRTAHSZPJNARHZ-MBJDOQEGSA-N 372.549 5.476 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 216243720 PGLFVDYDOUQMBA-GOSISDBHSA-N 361.510 5.778 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(OCc2ccccc2)cc1 224095620 RLGOVFSPEPGXQH-UHFFFAOYSA-N 369.823 5.239 0 40 FKAB Clc1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 226342905 GPEXEFOMCVMJEE-UHFFFAOYSA-N 356.050 5.223 0 40 FKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 227145754 GUMKJSUHJJIBSX-DHZHZOJOSA-N 352.821 5.143 0 40 FKAB CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257243960 IJHKZVDERCNLOB-NNWRFLSQSA-N 357.538 5.111 0 40 FKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1cccc(F)c1 409117076 NJOWKGDGWSHOCY-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)OCC3CC3)cc12 1889186314 XAJQYMGDDNNNBP-UHFFFAOYSA-N 365.404 5.006 0 40 FKAB O=C(O)c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccccc12 1796618 GVBJKUTXUUVCHY-ZHACJKMWSA-N 351.405 5.770 0 40 FKAB COc1ccccc1/C=C/C=C/[C@@]12N=C(O)CCN1c1ccccc1C2(C)C 2111282 LNMPNDBYJWTAIP-YSJALTKMSA-N 374.484 5.119 0 40 FKAB biogenic O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccc(Cl)cc1 2145985 JUWMWHGJHDNAGE-VXKWHMMOSA-N 364.828 5.242 0 40 FKAB CCCCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 2666380 YWLDPRNCSZQRDJ-SFHVURJKSA-N 361.489 5.137 0 40 FKAB Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc(C)c1C 2725859 VAMVRONNTDDMPW-UHFFFAOYSA-N 371.550 5.379 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c2ccccc2c1O 3149675 HOODDHQVVNNYRM-UHFFFAOYSA-N 366.631 5.758 0 40 FKAB Cc1ccc(-n2c(C)c(C3=CCCCC3)c(C3=CCCCC3)c2C)c(C)c1 3209079 MDCPGSFXRHZTOP-UHFFFAOYSA-N 359.557 7.626 0 40 FKAB O=C(OCc1ccco1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3287229 WAVCQZJMUCXYPT-UHFFFAOYSA-N 369.829 5.567 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccncc2)N3)C1 4109069 UTZQGBSECKTNMR-SUMWQHHRSA-N 355.507 5.113 0 40 FKAB CSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4251154 SHJNDVLGQNEJDF-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB Clc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4665050 POBOJHJMTUJOGH-JTHBVZDNSA-N 358.872 5.868 0 40 FKAB biogenic Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733626 YDIWTXCZBWOEKT-UHFFFAOYSA-N 371.440 5.133 0 40 FKAB CC(C)CC[C@H](CCN[C@@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 5266746 LUPYCHXACSWWHP-IPMKNSEASA-N 351.600 6.046 0 40 FKAB CCOC(=O)c1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1 5520728 BUGGBFDEPTULDJ-UHFFFAOYSA-N 374.362 5.482 0 40 FKAB CCCc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(OC)cc1 5952281 UJUYKLBYWSPWOV-UHFFFAOYSA-N 358.894 6.168 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 6211571 OQMGMRARSRENJX-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 6608837 HNZMVEJRRMETPB-YUVUWNHWSA-N 366.464 5.929 0 40 FKAB Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1Cl 7847694 QRODNVTVTGTMHG-UHFFFAOYSA-N 364.275 7.184 0 40 FKAB c1ccc(-n2nc(SCc3nc4ccccc4s3)nc2C2CC2)cc1 8036508 LNNQGDQRVWUYKI-UHFFFAOYSA-N 364.499 5.047 0 40 FKAB CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO 8689959 MWQCBVWCBTUPDQ-HZJYTTRNSA-N 351.575 5.689 0 40 FKAB in-vitro Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2o1 9660050 KNZWUZZDBAZHNK-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic CC(C)=CCC/C(C)=C\CC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 15215490 JQLNFODDCYXPCO-ZBNYWDMLSA-N 364.485 6.430 0 40 FKAB Cc1cc2nc(-c3ccc(Cl)c(N)c3)oc2c(Br)c1C 20156861 DKTIRPJTBPHUDB-UHFFFAOYSA-N 351.631 5.110 0 40 FKAB CCCCc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 32118645 JDRGAHOBKQJSIH-XYOKQWHBSA-N 370.905 5.944 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Cl)cc1 33731510 BZGDEAAEQYYMKG-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CCc1ccccc1NC1=NC(=O)/C(=C\c2c(F)cccc2Cl)S1 35648189 OPXCBWNMKKPAMH-MHWRWJLKSA-N 360.841 5.124 0 40 FKAB O=C(OCc1cc(-c2ccc(F)cc2)on1)C1(c2cccs2)CCCC1 38766095 WZPZDTQHKMSHAN-UHFFFAOYSA-N 371.433 5.097 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 38856054 SRXFNIMZKAIERA-LJQANCHMSA-N 370.924 5.116 0 40 FKAB Cc1nc(S[C@H](C)c2nnc(-c3cccs3)o2)n(CC(C)C)c1C 39982439 ZFEJVLXWVBNNSK-CYBMUJFWSA-N 362.524 5.121 0 40 FKAB O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1ccccc1Cl 44224994 HPLQSDJWYBFNBS-UHFFFAOYSA-N 371.849 5.298 0 40 FKAB Cc1csc(SCc2ccc(C(=O)N(C3CC3)[C@H](C)C(C)C)cc2)n1 48300094 RHHZZTPCTUQKBV-OAHLLOKOSA-N 374.575 5.393 0 40 FKAB Nc1ccc2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352661 KJSYWACRDVJUOZ-UHFFFAOYSA-N 358.426 5.430 0 40 FKAB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)Nc1ccccc1F 58159225 BWJKETCBPUTMIO-UHFFFAOYSA-N 369.827 5.735 0 40 FKAB CCCCCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2)c1 224536985 NUSHMVQHAXMRGN-UHFFFAOYSA-N 369.505 5.201 0 40 FKAB CC(C)(C)c1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225088147 KZAYAVNXGPSZTR-QGZVFWFLSA-N 367.272 5.366 0 40 FKAB COc1ccc2[nH]c(-c3ccccc3)c(-c3nc4ccccc4s3)c2c1 409193376 JOFPXEPDTZFTQT-UHFFFAOYSA-N 356.450 6.120 0 40 FKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc(F)cc1 822376 FVBYBKCKHOMPTI-VGOFRKELSA-N 374.459 5.347 0 40 FKAB CCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccccc2C)s1 1345297 PEHRDFSEYLVFLI-UHFFFAOYSA-N 371.893 5.224 0 40 FKAB O=C(Nc1nc2ccccc2s1)C(Cc1ccccc1)Cc1ccccc1 1442481 CQNULJUEQZNKRU-UHFFFAOYSA-N 372.493 5.336 0 40 FKAB CCCCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 2074140 QIFFBWICSZMQGK-UHFFFAOYSA-N 373.909 5.392 0 40 FKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc23)c(OC)c1 2887442 TWDGOBMJHQMBKM-HIXSDJFHSA-N 357.409 5.349 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)c2ccccc12 3059583 ZSPNEXZUSIATDA-UHFFFAOYSA-N 357.384 6.024 0 40 FKAB Cc1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c(C)c1 3235334 WLJNVGSJAMECPU-UHFFFAOYSA-N 374.509 5.935 0 40 FKAB Cc1ccc(/C=C/C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)o1 3284809 PAUOVPMLLYENGZ-BUHFOSPRSA-N 352.430 5.075 0 40 FKAB CC(C)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 3373068 XVNJWNSCNZNWPQ-UHFFFAOYSA-N 368.527 5.664 0 40 FKAB Cc1ccccc1OCCCn1c(/C=C/c2ccccc2)nc2ccccc21 4171633 DLZDXOQYILUQCC-WUKNDPDISA-N 368.480 5.984 0 40 FKAB C1=C2[C@@H]3CCCC[C@@H]3O[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@H]2CCC1 4587600 VGZDMJBYELSMKA-QORCZRPOSA-N 360.521 5.379 0 40 FKAB Fc1cccc(Cl)c1Cn1nc(-c2ccccc2)nc1-c1ccccc1 4953267 UKJBVPUSGXWFTB-UHFFFAOYSA-N 363.823 5.453 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 5379444 XWDNYYMIMGTROC-UHFFFAOYSA-N 358.652 5.443 0 40 FKAB O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 5604202 QHEFZMJWIHYYGN-OAQYLSRUSA-N 352.886 6.446 0 40 FKAB CCOc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl 6080545 JUMNYNUIWBLJPA-UHFFFAOYSA-N 356.274 5.123 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4OCCC[C@]4(C)[C@@H]3CC[C@@]21C 6255710 WDXZKZJDWQVKNV-IIWXGHDZSA-N 374.653 7.487 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc2ccc(S)cc2s1 6322671 MONFJHLPLINOHI-UHFFFAOYSA-N 358.532 5.130 0 40 FKAB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O[C@H](C)CC 6355885 SVBHNDOIIGYCQU-KELUXRKGSA-N 354.471 5.592 0 40 FKAB CCCOc1ccc2nc(C)c(CN(CC)Cc3ccccc3)c(O)c2c1 8572566 HGWZLDKVIGDOJH-UHFFFAOYSA-N 364.489 5.060 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 11473493 OLBKWCWWDLTTEA-HNNXBMFYSA-N 366.436 5.566 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12517253 DMNOFMBFGBHPNM-AWEZNQCLSA-N 351.475 5.301 0 40 FKAB COc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)[C@H](C)CCC3)cc1 12610123 DYFFOLCFESHXKW-CQSZACIVSA-N 363.526 6.291 0 40 FKAB Cc1ccc(C)c(CC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 20461897 MIIFTVLPUMWHIQ-UHFFFAOYSA-N 361.510 5.777 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccccc2C)cc1 20493514 ARIPYKLVXKVPMJ-OAQYLSRUSA-N 371.546 5.140 0 40 FKAB CCCCCC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610536 QMCOGYDWDPEJKN-UHFFFAOYSA-N 350.466 5.063 0 40 FKAB O=C1CCCc2c1c(Nc1ccc3ccccc3c1)nn2-c1ccccc1 20671886 RNOFWEWQZAHGPO-UHFFFAOYSA-N 353.425 5.288 0 40 FKAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 22072213 VUGBCZUFWQHTGJ-UHFFFAOYSA-N 359.763 5.009 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(Cl)cc1Cl 30757942 GMVQQEIMTQBMPD-GOSISDBHSA-N 366.288 5.084 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)/C=C\c2ccccc2)c(C(C)C)c1 31717101 JDCBWDMWRVHKRK-SEYXRHQNSA-N 370.558 6.501 0 40 FKAB C[C@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)N1CCCC1 39916907 VQLQDVGVKIMPDN-CQSZACIVSA-N 357.860 5.034 0 40 FKAB Cc1ccc(-c2nn3c(Nc4ccc(F)c(F)c4)cc(C)nc3c2C)cc1 40216968 AKKOHJGZBOBEIJ-UHFFFAOYSA-N 364.399 5.343 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351670 HTBXIPXCRCEZQZ-AVRDEDQJSA-N 367.533 5.636 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351963 YKMBGNYMTDNQTG-HRAATJIYSA-N 369.505 5.028 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)cc1 61997090 IZMSPTXKLMIOCS-UHFFFAOYSA-N 364.445 5.390 0 40 FKAB CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215461 HCDGTRCQHGJSOC-IBGZPJMESA-N 373.541 5.313 0 40 FKAB Cc1cccc2nc(-c3ccc(Br)cc3Br)oc12 73638188 JOUYGOAKXJWEJU-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 89356170 AUCDJTBPCBHQCS-DHIUTWEWSA-N 359.444 5.255 0 40 FKAB CCC[C@H]1CC[C@H](c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CC1 100055782 CICHQGNOTYCKFB-HDICACEKSA-N 351.490 6.021 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224967221 LHZUJJWMGUMASV-OAQYLSRUSA-N 366.505 5.090 0 40 FKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)n1 225286092 KPUXSAIHLSMRGU-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB CC(C)Oc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225307795 CEUYFSPXGKNXEF-UHFFFAOYSA-N 369.317 5.267 0 40 FKAB COc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1Cl 225492934 SQOQVKSNTMTHOK-QGZVFWFLSA-N 362.926 5.422 0 40 FKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 409118195 ZGECAUAIGLIRSU-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1 984746 LASKWMUSQSNFHU-JTSKRJEESA-N 359.519 6.376 0 40 FKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(F)cc1F 1030446 ICCGULWRUAXLTP-UHFFFAOYSA-N 367.327 5.011 0 40 FKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 1516977 YNXCMMQKVRXFRQ-SNVBAGLBSA-N 353.224 5.506 0 40 FKAB Cc1nc(Oc2ccc(-c3ccccc3)cc2)c2c3c(sc2n1)CCCC3 1811341 BQORGSBMRPYUCU-UHFFFAOYSA-N 372.493 6.338 0 40 FKAB CCCc1cc(=O)oc2cc(OCc3c(Cl)cccc3Cl)ccc12 1893433 OZUMIROZYYYSCN-UHFFFAOYSA-N 363.240 5.631 0 40 FKAB CCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cc(C)cc12 2079742 HINAXBUEYNBVIV-UHFFFAOYSA-N 363.457 5.484 0 40 FKAB CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 2414571 WYDNHGPJKOECSJ-QFIPXVFZSA-N 363.432 5.385 0 40 FKAB CCSc1nc(-c2ccc(Cl)cc2)nc2c1Cc1ccccc1O2 2715911 HPIPDHCNYKWLMH-UHFFFAOYSA-N 354.862 5.606 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccc3ncsc3c1)oc1ccccc12 3452426 XQUVOACCHXBSHS-UHFFFAOYSA-N 374.421 5.457 0 40 FKAB COc1cccc2cc([C@@]3(c4ccccc4)OC(=O)c4ccccc43)ccc12 4706143 CPOVGBVYSSJWMP-RUZDIDTESA-N 366.416 5.311 0 40 FKAB CN(C(=O)c1cc2sccc2n1Cc1ccc(F)cc1)C1CCCCC1 4971368 VEANTNOFVCTGOZ-UHFFFAOYSA-N 370.493 5.295 0 40 FKAB CN1c2ccccc2C[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc21 5334741 RVMLTWFGHJYFCR-IBGZPJMESA-N 362.860 5.386 0 40 FKAB Clc1ccc(OCc2nnc(Nc3ccccc3)s2)c(Cl)c1 5338460 AULPSRDKIPNILD-UHFFFAOYSA-N 352.246 5.168 0 40 FKAB Cc1nn2c(Nc3ccccc3)cc(C(C)(C)C)nc2c1-c1ccccc1 5516475 DPISFXIGWQKIOQ-UHFFFAOYSA-N 356.473 5.746 0 40 FKAB COc1cc(/C=C/c2nc3ccccc3s2)ccc1OCCC(C)C 5519610 CTVYZPKHVGFGSD-PKNBQFBNSA-N 353.487 5.900 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5547320 CCFXRYSAGHZCBS-JTQLQIEISA-N 358.652 5.361 0 40 FKAB Cc1cccc2c(C(F)(F)F)cc(Oc3cccc(C(F)(F)F)c3)nc12 5620024 MTWJCLTVPOYNDO-UHFFFAOYSA-N 371.280 6.373 0 40 FKAB CC(C)Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(C)C)cc1 6881514 RAUYZMUVOIBRPG-GOSISDBHSA-N 352.522 5.298 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 6949548 GQFMTANHIRVQKJ-LFIBNONCSA-N 350.506 5.304 0 40 FKAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7699542 YVUCPNUMTLOTPV-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CC[C@@H](c1ccccc1)c1nn2c(CSc3ccccc3)nnc2s1 8393190 MEFHFJMBTSOUHR-INIZCTEOSA-N 366.515 5.020 0 40 FKAB CCc1cccc(CC)c1NC(=O)CCc1ncc(-c2ccccc2F)o1 11470134 AOLWLLUYYQAPOV-UHFFFAOYSA-N 366.436 5.177 0 40 FKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)CCCCCC4)C1 12610195 FQFPBHLOKLYKPW-AWEZNQCLSA-N 351.515 6.340 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 13710179 WOXINRUGYKXILR-OAQYLSRUSA-N 373.496 5.300 0 40 FKAB CC(C)c1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 13945083 OFRSZXCOPPUMAU-UHFFFAOYSA-N 356.539 5.571 0 40 FKAB CCOc1ccccc1-c1nnc(SCc2ccccc2Cl)n1CC 14085344 RQHMOSXTSLRROJ-UHFFFAOYSA-N 373.909 5.309 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc4nsnc4c3)sc2c1 15841334 BVBZLNRVCYMAJK-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccccc3)n2)cc1C 17075309 ZQOGEVNCSIRSLU-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1cccc(OC)c1 27740162 NVXIRZDQRFCIMY-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccc(Cl)cc2)cc1 27793704 NRLXRVNGTJEZBX-UHFFFAOYSA-N 355.890 5.811 0 40 FKAB COCc1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 30060955 GICURJTYTDWNJC-UHFFFAOYSA-N 367.832 5.531 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3c(C)cccc3C)c2c1 46085578 HONYIAYXSZVCJJ-UHFFFAOYSA-N 351.446 5.789 0 40 FKAB Cc1cccc(-c2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3o2)c1 95116518 AYVCCQXGIPTFGM-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB Cc1ccc2c(O)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(C)nc2c1C 100273262 KRIZZJVXOLRIIH-GAJHUEQPSA-N 352.522 5.266 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914781 BESWZNZZPZNJEO-KXXKBDANSA-N 358.566 6.312 0 40 FKAB COc1ccc2c(-c3cc(Cl)c(Cl)c(Cl)c3N)c(O)ccc2c1 169800769 FBUCYPRDPLRVCQ-UHFFFAOYSA-N 368.647 5.763 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C 222913962 IKGAZORPNPEXOV-LJQANCHMSA-N 359.897 5.742 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2cc(C)ccc2C)cc1C(C)C 223340494 DKMKKFNZBQTQJS-GOSISDBHSA-N 353.506 5.164 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccc(F)cc2)on1 224068654 DYPMJNJLQAJZNW-UHFFFAOYSA-N 374.371 5.525 0 40 FKAB Cc1cc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)ccc1Cl 225085617 XFDXGRUZYPSCLK-OAHLLOKOSA-N 359.636 5.030 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1 225086464 JHEPNUZIOFLMHQ-GOSISDBHSA-N 361.224 5.221 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccccc1)[C@H]2O 252448925 ZPIDDLUDNFHGDG-QJGJIRNXSA-N 360.497 5.303 0 40 FKAB c1ccc(-c2cn3c(n2)c(-c2ccc4ccccc4n2)cc2ccccc23)cc1 670415837 NLVUPKKRQHYRSE-UHFFFAOYSA-N 371.443 6.370 0 40 FKAB CC(C)C[C@@H](N)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1 1772714907 IIVMEMYCGBCSEF-CQSZACIVSA-N 353.350 5.519 0 40 FKAB Fc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)c(F)c1 848828 RFKMKXMOACKCNH-UHFFFAOYSA-N 367.218 5.594 0 40 FKAB Cc1ccc(-c2nnc(-n3cnc4ccccc43)c3ccccc23)cc1C 948502 VWYRLHPRLYPSDQ-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB Cc1ccc2cc(C)c(SCC(=O)Nc3cccc4ccccc34)nc2c1 1221547 CEBSHBUNFWSHMH-UHFFFAOYSA-N 372.493 5.736 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)c1cccc(OC)c1 1340025 ZSPBBNSNBPDOGN-UHFFFAOYSA-N 351.471 5.089 0 40 FKAB CC1(CC(=O)Nc2cccc(C(F)(F)F)c2)C2CC3CC(C2)CC1C3 1391194 UEEOIMQULABOQF-UHFFFAOYSA-N 351.412 5.496 0 40 FKAB O=C1c2cccc3c(Nc4ccccc4)ccc(c23)C(=O)N1c1ccccc1 1510039 UMEHSDPQIIVTNJ-UHFFFAOYSA-N 364.404 5.384 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@]2(C)CCc2ccccc2)cc1 2631650 QVMJJHAIYOKIKA-DEOSSOPVSA-N 372.468 5.117 0 40 FKAB C[C@@H]1CCCC[C@H]1NC(=O)CCN1c2ccccc2Sc2ccccc21 2654808 BGDUSTBQAHCQIL-IAGOWNOFSA-N 366.530 5.374 0 40 FKAB C[C@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 4427714 CTWBZPZGQUGJLG-FOVJLYNBSA-N 368.500 5.051 0 40 FKAB O=C(c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 4666353 IBPPPLPCKFUMJN-UHFFFAOYSA-N 371.219 5.444 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 4776838 DJOLKAOYYDQIMS-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 4860231 RIBIJZGAASNUKI-UUFSLDAJSA-N 370.427 5.217 0 40 FKAB Oc1cc(O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2n1 5491492 GPVYBRLYTZEUIO-UHFFFAOYSA-N 370.433 5.590 0 40 FKAB FC(F)(F)c1cccc(/C=C/c2nc3c(ccc4ccccc43)s2)c1 5559181 ASMZKAVFIKSEJI-DHZHZOJOSA-N 355.384 6.639 0 40 FKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1 6235551 OQKJBCMONAKWOQ-GCJKJVERSA-N 372.468 5.044 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1Sc1ccccc1 6252400 PEGBAKUCFFRGJA-UHFFFAOYSA-N 354.862 6.135 0 40 FKAB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(C)c2)cc1 6845166 SZVQRFJIUCXUCX-CJLVFECKSA-N 352.437 5.138 0 40 FKAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)cc(Cl)c1 6925592 RNKZKKGFBBZBNX-UHFFFAOYSA-N 369.557 5.313 0 40 FKAB COc1ccc(/C=C(/C(=O)Nc2c(F)cccc2F)c2ccccc2)cc1 8116150 ZHKGLQVCZKRFOC-NBVRZTHBSA-N 365.379 5.153 0 40 FKAB C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)c1nnc(-c2ccccc2)o1 8216349 KKPZGLGQJQVLDK-JTQLQIEISA-N 356.838 5.120 0 40 FKAB Cc1nc(-c2ccc(CNC(=O)c3cc4cc(Cl)ccc4o3)o2)cs1 12619731 UVOWYOXVZPJMNJ-UHFFFAOYSA-N 372.833 5.041 0 40 FKAB O=C(c1ccccc1)c1ccc(OCc2coc(-c3ccccc3)n2)cc1 12909494 MBIYCQPMVREWEN-UHFFFAOYSA-N 355.393 5.152 0 40 FKAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(-c2ccccc2)cc1 13521948 UTELNQRRJWHTLZ-UHFFFAOYSA-N 370.477 5.633 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14022621 YDRJMQYWYIXEQV-MRXNPFEDSA-N 372.679 5.751 0 40 FKAB Fc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCC4)n2)cc1 15862743 OVPKRIGVOYHBCB-UHFFFAOYSA-N 367.371 5.033 0 40 FKAB C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 26440148 IWJZDETVJSSMLD-RMUDUWAUSA-N 370.540 5.396 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 30854220 OSMWOKKVFUYOCT-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1 31781835 BGYSMCIZLIUGNL-UHFFFAOYSA-N 352.793 5.060 0 40 FKAB Cc1ccc(-c2ccc(SCc3nc(-c4cccc(C)c4)no3)nn2)cc1 33262440 IQFJYZCKCAHGHK-UHFFFAOYSA-N 374.469 5.103 0 40 FKAB CCCCC/C=C/C/C=C\CCCCCCCCCCCC(=O)OC 33416901 UPIRHFZFPVEDCF-LFOHPMNASA-N 350.587 7.533 0 40 FKAB COc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1 67192488 HAWJZYIOJLOVKC-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118933719 PRTAHSZPJNARHZ-NBYDOPHBSA-N 372.549 5.476 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(Cl)cc2)cc1 199422194 RREYDSDKFYBKEP-OAHLLOKOSA-N 372.896 5.457 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 216304689 WUHJWFLBAGRMKC-NSHDSACASA-N 371.786 5.327 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1c(Cl)cccc1Cl 225357709 UIQHEZFYBZCNIT-AWEZNQCLSA-N 350.289 5.064 0 40 FKAB CCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCC1 225710089 VUGXGTKZKMCVLN-UHFFFAOYSA-N 367.489 5.252 0 40 FKAB CCOc1ccccc1NC(=S)NCCCc1ccc(C(C)C)cc1 225806309 QHCDYBNKKCQFCM-UHFFFAOYSA-N 356.535 5.128 0 40 FKAB Cc1ccc(Oc2ccc(C(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 408605056 WRAOBXPINMVCJH-UHFFFAOYSA-N 357.236 6.325 0 40 FKAB CCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409103984 XURJPCJKPDIILH-RVDMUPIBSA-N 361.507 5.043 0 40 FKAB CC(C)(C)[C@@H]1COC(c2cccc(C(c3ccccc3)c3ccccc3)n2)=N1 1988181064 HIAYJUBYJYLRGE-QFIPXVFZSA-N 370.496 5.453 0 40 FKAB CC(C)Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 679893 CQEFUXOHCXLPIN-MDZDMXLPSA-N 352.459 5.254 0 40 FKAB O=C(Oc1ccc2ccc(OC(=O)c3ccccc3)cc2c1)c1ccccc1 683121 XQRLAZQOAPLBBJ-UHFFFAOYSA-N 368.388 5.278 0 40 FKAB COc1ccc(-c2ccccc2)cc1NC(=O)c1nccc2ccccc12 1337733 ACYBPJZUOOACOH-UHFFFAOYSA-N 354.409 5.163 0 40 FKAB O=C(Oc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 2074779 YNUXSORJFQQWMG-UHFFFAOYSA-N 367.242 5.187 0 40 FKAB Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3cc(C)ccc3n2)cc1 2078925 GSCATPRWQJRTGK-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB O=C(O[C@H]1CCCCC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3332399 AKFMLZRWTYJKGQ-SFHVURJKSA-N 362.347 5.041 0 40 FKAB O=C(c1cc(Cl)cc(Cl)c1)N1c2ccccc2C=Cc2ccccc21 3466604 GSUGHOZRVFJLOF-UHFFFAOYSA-N 366.247 6.456 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(C)cn23)cc1 3909790 HHVNFNZFXAERED-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl 4155560 WHWPWIGLXCYVNV-UHFFFAOYSA-N 368.569 5.918 0 40 FKAB CCCCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 4322994 PGOGINAVVRRAHO-UHFFFAOYSA-N 357.461 5.210 0 40 FKAB Clc1ccccc1[C@H](Cc1c(Cl)cccc1Cl)Cn1ccnc1 5386095 YHTYTKSCZPOEET-CYBMUJFWSA-N 365.691 5.870 0 40 FKAB Cc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc1 5498998 NNBJHTPYSRKDKB-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB Clc1ccc(Cl)c(SCc2cc(-c3ccccc3Cl)on2)c1 5680086 VAFYQQARUFEOJP-UHFFFAOYSA-N 370.688 6.594 0 40 FKAB Cc1ccc(S(=O)(=O)/C=C(\C=C\c2ccccc2)c2ccccc2)cc1 6022809 QQDNIDJIUIOMIN-KXXWGTPCSA-N 360.478 5.523 0 40 FKAB CC1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)cc2)CC1 6272943 ABWVEIIRHBNBNF-UHFFFAOYSA-N 359.922 5.326 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1c(Cl)cccc1Cl 6340060 WKXQCPDBDWWWRW-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1C(F)(F)F 6542132 LXIKBAWNONUMQJ-UHFFFAOYSA-N 357.331 5.750 0 40 FKAB CC(C)(C)C1=C[C@@H](O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1 6855488 KHYFLSMWMCXMEB-GOSISDBHSA-N 362.498 5.744 0 40 FKAB C[C@H](NCc1ccccc1OCc1ccccc1Cl)c1ccccc1 8534283 ZYKWVQKQBCQISX-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 9141056 ZJXHTOBILXXRFT-UHFFFAOYSA-N 356.853 5.866 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 9698465 OIWPPNLMQHFKAC-NRFANRHFSA-N 371.415 5.176 0 40 FKAB CCCOc1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 10905677 XSVDMKZVSIYVAU-UHFFFAOYSA-N 374.440 5.127 0 40 FKAB Cc1ccc(C)c(OC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1C 11469387 XRMXXQMEOAWFEZ-UHFFFAOYSA-N 371.383 5.083 0 40 FKAB CCCCCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC 13562802 MPYSXPHSCSBUPX-NDBXHCKUSA-N 365.561 6.190 0 40 FKAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccc(Cl)cc2)o1 14683845 VXHIGWAEZRYBTF-UHFFFAOYSA-N 364.832 5.054 0 40 FKAB CCOc1ccc(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)cc1OC 15018236 PLNCENFVONYART-HXUWFJFHSA-N 373.452 5.099 0 40 FKAB Cc1ccc(C)c(CSc2nccn3nc(-c4cccs4)cc23)c1 16842873 FUIYDPNMJPPWQC-UHFFFAOYSA-N 351.500 5.367 0 40 FKAB CCC(=O)N(CC)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711905 DJLUDNHLJFMNKI-GHTZIAJQSA-N 373.443 5.110 0 40 FKAB Cc1cccc(-n2nc(C)c3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)c1 20632878 OLGJOEDANMDRHU-MRXNPFEDSA-N 350.849 5.055 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2ccccc2C3)c1 23292887 CIUXJLJWLFXBSF-UHFFFAOYSA-N 367.517 6.722 0 40 FKAB Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 27742443 UFDQMQXFVAXWIZ-UHFFFAOYSA-N 369.461 5.116 0 40 FKAB Sc1nnc(-c2cc3cc(Cl)ccc3[nH]2)n1-c1ccc(Cl)cc1 36640164 CVERLXIPUSPYIM-UHFFFAOYSA-N 361.257 5.011 0 40 FKAB CCc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc23)cc1 44169586 AADWTNGCOBDWNQ-UHFFFAOYSA-N 359.473 5.167 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 58247717 PQUPBGHWVQZHST-UHFFFAOYSA-N 369.852 5.248 0 40 FKAB Clc1ccccc1CSC1=NC2(CCCCC2)N=C1c1cccs1 65330849 DRVOTDWVILETMY-UHFFFAOYSA-N 374.962 6.197 0 40 FKAB CC(=O)c1cn(CC(=O)Nc2cccc3c2ccn3C(C)C)c2ccccc12 70666466 JVBFEFHWMOBWDK-UHFFFAOYSA-N 373.456 5.018 0 40 FKAB biogenic O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 75288781 WZVDTSAZJGQCSE-UHFFFAOYSA-N 356.636 5.248 0 40 FKAB Cc1[nH]c(-c2ccc(-c3ccc(Cl)cc3)s2)nc1-c1ccccc1 95468328 MMILBAISIACJQT-UHFFFAOYSA-N 350.874 6.434 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl 96170868 XXJVPXWGPYAGCX-UHFFFAOYSA-N 365.138 5.536 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC2CCCC2)cc1 219392312 BEYFRZDIROYQOD-UHFFFAOYSA-N 361.441 5.422 0 40 FKAB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 222241242 ZEZHPTYTCOOIMP-KHUIQGCPSA-N 354.534 6.071 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(Cl)c1C 223011396 CDNWCHXNBCSZSZ-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223439113 JUWNNGBKIKWIGT-UHFFFAOYSA-N 369.939 5.205 0 40 FKAB O=C(Cc1cccc(Cl)c1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 223569717 ZYFZWACEQFJKJB-LJQANCHMSA-N 369.892 5.225 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1F 224798134 QGKIBJFZJIEYBR-UHFFFAOYSA-N 357.837 5.883 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225504687 MEEWURLOSRXDGS-UHFFFAOYSA-N 351.490 5.624 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@H](C)C1 225661535 XNZZNBNCONGCRQ-JTSKRJEESA-N 359.510 5.322 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)c(Cl)c1 225665155 DETGOQBLPWQNKX-IBGZPJMESA-N 373.880 5.024 0 40 FKAB CCO[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@@H](C)C1 225713491 WLLNRIPLQPUHDG-WZONZLPQSA-N 367.489 5.190 0 40 FKAB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]2[C@@H]2[C@H]1[C@H]1CC[C@@H]2[C@H]2[C@@H]4CC[C@H](C4)[C@H]12)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 245241169 YJUVCBGGFBYMBC-YGWBLIRUSA-N 362.557 5.048 0 40 FKAB CCC[C@H]1O[C@H]2c3ccc(C(C)(C)C)cc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257229829 FZQARONUQWWDOT-MTNOOBJLSA-N 360.494 5.102 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc2ccccc2c1 408589256 ZOEUPDUWKXRWFI-UHFFFAOYSA-N 353.849 5.924 0 40 FKAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1 408614126 YQEGJFSRSQEBMF-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB COc1ccc2c(c1)Cc1sc(=Nc3ccc(Cl)c(Cl)c3)[nH]c1-2 408891520 RVMDXOUGVMKAAA-UHFFFAOYSA-N 363.269 5.195 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)cc1 409117216 WZXZVVSUDYIJMX-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB Cc1cc2c(cc1-c1ccnc(N3CCCCC3)n1)[C@H](C)CC(C)(C)N2 575473320 YVUGAMSGQPANMH-MRXNPFEDSA-N 350.510 5.140 0 40 FKAB N[C@@H](COc1cccc(F)c1Oc1cccc(Cl)c1)Cc1ccccc1 643550326 QSPQMAJGURARDF-QGZVFWFLSA-N 371.839 5.220 0 40 FKAB O=C(COC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 990316 QXCJODMZKPVASA-UHFFFAOYSA-N 350.801 5.047 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(C)c1 1264624 KPTRABLEMPJWIM-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CC(C)Oc1ccc([C@@H](CC(=O)Nc2nccs2)c2ccccc2)cc1 1306010 WQEZBZVPLHKSKN-IBGZPJMESA-N 366.486 5.091 0 40 FKAB Cc1sc(-c2cccnc2)nc1OC(=O)c1cccc(Cl)c1Cl 1385749 VFOHAPXEBBHBKY-UHFFFAOYSA-N 365.241 5.040 0 40 FKAB Fc1cccc(Cl)c1Cn1c(-c2cccnc2Cl)nc2ccccc21 1386012 WNOKZWBLLYDORO-UHFFFAOYSA-N 372.230 5.593 0 40 FKAB Br/C(Cc1ccccc1)=C(/Br)Cc1ccccc1 1707165 LGDCZULANHVHFY-FOCLMDBBSA-N 366.096 5.473 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccccc1Cl 3120611 SFIYUOFJQWFWKH-YADHBBJMSA-N 364.828 5.242 0 40 FKAB Cc1ccsc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 3226270 BJJXZVPLKVNPMT-UHFFFAOYSA-N 350.468 5.586 0 40 FKAB C[C@@H](CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC=O)CC(=O)O 3851378 RJTQRENDRIOHRF-CFPPRVJZSA-N 352.515 5.052 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1Cl 4538904 DAXLLZFSQRXFKL-UHFFFAOYSA-N 365.816 5.565 0 40 FKAB Clc1ccc(/C(=C\CN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 4934876 RHKSEYVTQFZACE-HNGNLUIFSA-N 351.921 5.894 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1 5961890 LZKUYQGTLOXRQD-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB CC(C)/N=C1\S/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N1C(C)C 6325079 JTHYIUDRCCZYBW-OESWBVNESA-N 369.534 5.311 0 40 FKAB C[C@@H](NC(c1ccccc1)c1ccccc1)c1nnc(-c2ccc(F)cc2)o1 6544748 OWXQHRYHFLLAGK-MRXNPFEDSA-N 373.431 5.316 0 40 FKAB Cc1ccc2occ(CC(=O)N(Cc3ccccc3)Cc3ccco3)c2c1 6809817 JOACAIWBGIZONL-UHFFFAOYSA-N 359.425 5.106 0 40 FKAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 7614640 NUTVKZGKTYXYPF-UHFFFAOYSA-N 366.486 5.007 0 40 FKAB Cc1ccc(F)cc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 7667351 DWDWMLYVJQCCNV-GOOCMWNKSA-N 365.539 5.075 0 40 FKAB O=C(NC1CCCCCCC1)c1ccccc1SCc1ccccc1 7684749 KJRHSVAOPRAHGR-UHFFFAOYSA-N 353.531 5.822 0 40 FKAB Cc1ccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1C 8393115 TVFPKARYGVMXEY-UHFFFAOYSA-N 360.844 6.359 0 40 FKAB Cc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 12999670 YJOKASFSXOJWDA-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(Cl)cccc1Cl 13708747 SQLQSIHQVDNPCM-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2Sc2ccccc2)c1 14397674 LVZFPXCPRVQQJB-UHFFFAOYSA-N 363.482 5.472 0 40 FKAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccccc4Cl)C3)o2)s1 19217634 RFEDRXNXWFBWDQ-HNNXBMFYSA-N 373.909 5.140 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20104120 BLQIQPJOPXGUME-UHFFFAOYSA-N 364.533 5.296 0 40 FKAB CC(C)C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 20460855 GMHJNNCXYUKOLF-RUZDIDTESA-N 371.524 5.989 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610454 KNXUNIDKDCUBMS-UHFFFAOYSA-N 370.456 5.105 0 40 FKAB C[C@H](NC(=O)CCCC(=O)c1cccs1)c1cccc2ccccc12 25805824 UVCXXKGNWWXQLM-HNNXBMFYSA-N 351.471 5.132 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(OCc2ccc(F)cc2)c1 27279719 VXGPCSALBCIXEM-UHFFFAOYSA-N 374.415 5.067 0 40 FKAB COc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 27744931 DCVLTNYECZGRPP-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB Cc1cc2occ(C(=O)Nc3cccc4ccccc34)c(=O)c2cc1Cl 27748996 CTYWUMLREPCVQP-UHFFFAOYSA-N 363.800 5.160 0 40 FKAB Cc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 28404535 QDNQPIULPYPRKT-UHFFFAOYSA-N 373.456 5.164 0 40 FKAB COc1ccc2cc(CN[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)ccc2c1 28925374 OZYBAGVRBSWVKC-INIZCTEOSA-N 374.484 5.048 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 44848017 QJRSSXMJIYECOJ-LAUBAEHRSA-N 371.546 5.388 0 40 FKAB C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 58429310 UVDKLLVBUOHGPL-RLPDQUCXSA-N 357.460 5.076 0 40 FKAB S=C1SCN(c2ccc(Cl)cc2)CN1c1ccc(Cl)cc1 59488428 JGWNCOHFDIQGOT-UHFFFAOYSA-N 355.315 5.253 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(CN2CCCC2)c1 71761774 ZFQJFBLINRGVLQ-UHFFFAOYSA-N 359.926 5.053 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214074 RHEVABRCOWJVAW-NRFANRHFSA-N 373.456 5.299 0 40 FKAB FC(F)(F)c1ccc(Br)c(OC(Cl)(Cl)Cl)c1 95215701 WZNDQUHYMCBPTP-UHFFFAOYSA-N 358.368 5.174 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)O[C@H](C)C(C)(C)C)ccc12 98095548 CYDMOFDZVMDHJF-YDGUKXNOSA-N 372.785 5.408 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1C 223011309 WYSCXGFVZRDERY-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2O1 223199986 VSGBMZYOVFVXFM-HXUWFJFHSA-N 351.490 5.045 0 40 FKAB CCc1ccc(CC)c(CNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 223324412 ARSFDMPSFGXIDA-XQNSMLJCSA-N 359.469 5.261 0 40 FKAB CCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 226360064 PAQPJVNVQCVDSH-UHFFFAOYSA-N 370.246 5.149 0 40 FKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccccc1C(F)(F)F 390826242 GEDDYWRGEXZPTH-OAHLLOKOSA-N 367.417 5.348 0 40 FKAB O=C(NC1CCCCCCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408625934 YRFZYCCYCWUKKI-UHFFFAOYSA-N 374.484 5.018 0 40 FKAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 655297 ZIXULUGWUWATJB-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1cc(NC(=O)OC2CCCC2)ccc1NC(=O)OC1CCCCC1 831482 XJIGMDYHANBPJH-UHFFFAOYSA-N 360.454 5.367 0 40 FKAB FC(F)(F)c1cnc(Sc2ccccc2-n2cccc2)c(Cl)c1 1385648 QFOQEGGCRJGNFD-UHFFFAOYSA-N 354.784 5.696 0 40 FKAB Cc1cccc(CSc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1 1400826 JAZQNTNDZNQJPP-UHFFFAOYSA-N 360.404 5.763 0 40 FKAB Cc1cccc(NC2=C[C@H](c3cccs3)N(c3cccc(C)c3)C2=O)c1 1426245 ISZLVACKVRFMPB-HXUWFJFHSA-N 360.482 5.449 0 40 FKAB Cc1ccc(-c2csc(NC(=O)CCCOc3cccc(C)c3)n2)cc1 1773790 JMHAPGAENZLYPY-UHFFFAOYSA-N 366.486 5.225 0 40 FKAB COc1ccc([C@H](Sc2ccccc2)[C@H]2CCc3ccccc3C2=O)cc1 2106386 YSYQPWBORRSKGM-UPVQGACJSA-N 374.505 5.974 0 40 FKAB O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 2340735 ROGCELONBNNCQT-UHFFFAOYSA-N 365.245 5.156 0 40 FKAB Cc1ccccc1-c1sc(=S)n2c3ccccc3c(=O)n(C(C)C)c12 2693339 BSFBSQIVDAEPBC-UHFFFAOYSA-N 366.511 5.602 0 40 FKAB COc1cccc(Cn2c(/C=C/c3ccccc3)nc3cc(C)c(C)cc32)c1 4050621 FHWRMUBGMHFXPN-OUKQBFOZSA-N 368.480 5.880 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(C)cc3C)c3cc(O)ccc3o2)cc1 4056541 RIPFAZQCLABBKL-YYDJUVGSSA-N 371.436 5.663 0 40 FKAB biogenic Clc1nc(Nc2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1 4549352 BWSLXZHDNPDGGN-UHFFFAOYSA-N 373.847 5.738 0 40 FKAB Clc1ccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)cc1 6495460 ZUHRDKZQSJBVGA-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1C 6545490 YGOCYJNTSFJCPV-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB O=C(Cc1ccsc1)N(c1ccccc1)c1nc2ccccc2s1 7989717 DLGKIDAGENUPKC-UHFFFAOYSA-N 350.468 5.265 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1 8041478 NOPNNOHKYBMEOP-UHFFFAOYSA-N 359.469 5.669 0 40 FKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(Cl)cc2)S1 8277536 WNJHFVYWVQTWDW-OQLLNIDSSA-N 363.269 5.193 0 40 FKAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1 8586825 IJZLULMDADBXSG-CYBMUJFWSA-N 362.926 5.129 0 40 FKAB Cc1ccc([C@@H](N[C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 8990695 UEVVNDYRUBOTER-JTHBVZDNSA-N 367.533 5.419 0 40 FKAB Nc1nnc(SC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1 12846680 WPLRQAYAVKMLME-UHFFFAOYSA-N 368.314 5.309 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 14258618 PKWGLVDDOLJUQH-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB Cc1c(-c2ccc(F)cc2)nn(-c2cccc(F)c2)c1-c1ccc(F)cc1 17074862 FGVBQSMIPJSAAO-UHFFFAOYSA-N 364.370 5.932 0 40 FKAB CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(C)cc1C 18192535 HOTYYJUGSYSSCS-UHFFFAOYSA-N 356.516 5.693 0 40 FKAB Fc1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 19957028 PENZLNGYGBGHOJ-UHFFFAOYSA-N 354.328 5.187 0 40 FKAB CCCCn1nc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1Cl 23912282 YIPKOUHONHIWJW-CQSZACIVSA-N 369.896 5.289 0 40 FKAB CC(=O)N1c2ccccc2N=C(c2ccc(C)cc2)C[C@H]1c1ccc(F)cc1 26894753 VQNWOJUKLHNGOI-DEOSSOPVSA-N 372.443 5.753 0 40 FKAB Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1Cl 32189117 XBPWKIAVLDOZGW-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)cc1 36620429 QRMDBJQPPNSRGQ-SFHVURJKSA-N 373.294 5.435 0 40 FKAB Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(=O)OCc1ccccc1 49947127 UZVXJCLGSGFWCB-UHFFFAOYSA-N 367.448 6.014 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351564 JHLNADCOBHDTNL-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB CN(C)[C@H](CNCc1sc2ccccc2c1Cl)c1ccsc1 71844486 VTLDDZAYCJLKDU-CQSZACIVSA-N 350.940 5.009 0 40 FKAB C[C@@H](NC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 101112681 DBWCPODJZMDQMG-OXYWVTPLSA-N 373.540 5.792 0 40 FKAB C[C@H](NC(=O)c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1 223134776 VAUHHBQCNCWVEW-LBPRGKRZSA-N 366.873 5.594 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 224640504 IBJCLSAXQKSAHW-UHFFFAOYSA-N 361.466 6.339 0 40 FKAB O=C(NCCC1=CCCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 224892727 GDTZJACRTSVNIL-UHFFFAOYSA-N 372.468 5.629 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 225302204 CDTFHHXZSFASOH-UHFFFAOYSA-N 351.833 5.704 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(OC)c(OC)c1 225717850 VZAZATUUIGONRC-SFHVURJKSA-N 372.534 5.265 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225821029 VBXUKAMAMYTLST-JOCHJYFZSA-N 357.494 5.407 0 40 FKAB CC(C)CN(Cc1ccccc1)C(=O)c1ccc2nc(Cl)sc2c1 225986207 KQVFUDYHECGBIG-UHFFFAOYSA-N 358.894 5.248 0 40 FKAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)c1 408996171 LGFJLFCOBBNSAP-PMVMPFDFSA-N 355.437 5.164 0 40 FKAB Clc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1 409190143 LIWBKSCZIJSDEJ-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB CCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1C 643315 UXANAKLKCCJFMR-UHFFFAOYSA-N 350.487 5.892 0 40 FKAB O=C(c1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 882057 AUZYPXGOQIXKGQ-UHFFFAOYSA-N 370.477 5.657 0 40 FKAB FC(F)(F)c1cccc(Nc2ncnc3sc(-c4ccccc4)cc23)c1 1006920 RFWASXXHSAONJK-UHFFFAOYSA-N 371.387 6.121 0 40 FKAB Oc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 1067674 LFAMDCGXSXIDSA-UHFFFAOYSA-N 360.844 5.624 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4cccc(Cl)c4)o3)cc(C(=O)O)c2c1 1454206 CYBTZKJJWLLFQR-UHFFFAOYSA-N 363.800 5.822 0 40 FKAB Fc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4)cc2-3)cc1 2688443 IWKTZGFUAKEVNG-UHFFFAOYSA-N 353.400 5.391 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 3326760 COFMQRZDJIBBLR-UONOGXRCSA-N 366.288 5.255 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1nc2c(ccc3ccccc32)s1 3342017 UHCMWCAMCICVGL-UHFFFAOYSA-N 370.836 5.423 0 40 FKAB Clc1ccccc1-c1cs/c(=N\c2ccccc2)n1C[C@@H]1CCCO1 3504016 SAWNDSMWULHHGQ-HZSHHLKBSA-N 370.905 5.281 0 40 FKAB C[C@@H]1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC(C)(C)C1 4025771 PYBYTHWIXNGPQO-CRTSTDTESA-N 373.581 5.059 0 40 FKAB biogenic Cc1ccccc1N1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O 5555465 GQIIVNZVEGMLPR-UHFFFAOYSA-N 356.208 5.256 0 40 FKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 5727321 FOZVEXQKZUQTTC-UHFFFAOYSA-N 359.425 5.171 0 40 FKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4ccccc4c3)cs2)cc1 5937515 ZVTNFMQNWPTABW-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB COc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2C)cc1 6185596 UVFKKERDPHRHOV-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 6288836 QNIBVFOATJBPNN-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(O[C@H](C)CC)c2)c1 6396953 BWVBHVZCXXBUFE-MRXNPFEDSA-N 368.477 5.245 0 40 FKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3F)ccc2o1 9660054 ZCKAXDKHAPEWDZ-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic CC1CCN(C(=O)C2(Cc3nc4ccccc4s3)CCCCC2)CC1 12784826 ZTUXZMMPBBSLFX-UHFFFAOYSA-N 356.535 5.048 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)N1c2ccccc2Sc2ccccc21 13717215 NPVBGSGSKSDMAF-UHFFFAOYSA-N 374.509 6.953 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 15490233 GSJZJYFFSRWGAG-LLVKDONJSA-N 373.827 5.619 0 40 FKAB CC[C@@H](C)c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 16740592 GUHFKCWHKXREKT-LJQANCHMSA-N 370.496 6.177 0 40 FKAB CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccn1)c1ccc(F)cc1 19142438 BXZWUECLOYRKJW-SFHVURJKSA-N 366.373 5.375 0 40 FKAB Cc1csc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 25460160 PKONOYJNBUAIIW-UHFFFAOYSA-N 366.511 5.007 0 40 FKAB C[C@@H](NCc1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 28427939 RPQSCAQQIFGLOF-GOSISDBHSA-N 374.915 6.194 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 59351514 LSGWCECASXSEAU-DLBZAZTESA-N 359.897 5.218 0 40 FKAB CC(C)(C)C(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 59431881 NNVGDSWUJMLSAB-UHFFFAOYSA-N 351.393 5.881 0 40 FKAB O=C(O)c1ccccc1Nc1ccnc2c(Oc3ccccc3)cccc12 78401571 WRDNFXBKVMTVJB-UHFFFAOYSA-N 356.381 5.469 0 40 FKAB FC(F)(F)c1cnc(NCc2ncc(-c3ccccc3)o2)c(Cl)c1 84563050 CKKLVOMXXAJBOG-UHFFFAOYSA-N 353.731 5.021 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)cc1 106975026 QCSWDUKKUAWRJJ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1cccc3ccccc13)CC(C)(C)O2 222677604 HDKNJSPMKABDHI-QFIPXVFZSA-N 373.496 5.499 0 40 FKAB C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCC2 223256493 SIOCWKHVEUNPRB-CYBMUJFWSA-N 362.300 5.292 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1Cl 225667585 OPBGKHMJMQJOGV-FOIQADDNSA-N 367.917 5.443 0 40 FKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cc(F)ccc1F 226096815 GXHAQZJFCBWICT-UHFFFAOYSA-N 368.221 5.104 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(CCc3ccccc3)=CC[C@H]12 253596698 VBTNPIPMZUSOJR-NOIDSKMISA-N 360.585 7.364 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 409115280 IHJPJZSTBOMUIM-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1Cl 409122049 YJSOJWWFAHYNGT-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB Cc1cccc(NC(=O)COc2ccc(CNc3cc(C)ccc3C)cc2)c1 409254807 FTLHAYVVEPGTCO-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(C)c1 675329 YGYRYUWEHZSKPR-UHFFFAOYSA-N 360.295 5.616 0 40 FKAB Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cc(Cl)ccc1Cl 1667341 DQSYOFZBLYRZCR-UHFFFAOYSA-N 353.249 5.775 0 40 FKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@]2(C)CCC[C@@]1(C)[C@H](O)c1ccccc1 4403839 IUZXDEIEFTZAQM-FXSWLTOZSA-N 362.557 6.554 0 40 FKAB COc1ccc(CC[C@@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C)cc1 4777736 LGWKVDLUCCAJJF-VXKWHMMOSA-N 367.533 5.122 0 40 FKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)oc12 5482786 BBQIIQVPRJBCER-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 5604507 VXUVQKPRQMGSLY-UHFFFAOYSA-N 363.460 5.873 0 40 FKAB CCCCC(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 6594145 HHHFDDGQIDJDDK-UHFFFAOYSA-N 358.445 5.011 0 40 FKAB COc1cccc(-c2cn(-c3cccc(C(F)(F)F)c3)c(=S)[nH]2)c1 6715368 PBOCHFDTUTWMMF-UHFFFAOYSA-N 350.365 5.229 0 40 FKAB Cc1ccc2c(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)nc2c1C 8714139 KRIZZJVXOLRIIH-SBUREZEXSA-N 352.522 5.266 0 40 FKAB Cc1cccc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)c1Cl 9028740 KSBUBNSWHJUMBR-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB FC(F)(F)c1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12523872 DRQONVSNWURWPA-LJQANCHMSA-N 365.358 5.695 0 40 FKAB CC1=Nc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H](c2cccnc2)S1 15084850 OQLGALMDPKFIFB-KRWDZBQOSA-N 354.866 5.115 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 20106671 JKXTZYPYSUDBBZ-OAHLLOKOSA-N 351.471 5.358 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C 20106730 VSHNLGINHHDUTI-FQEVSTJZSA-N 353.849 5.598 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20452160 MSDMRMSGRLKYEG-UHFFFAOYSA-N 370.496 5.509 0 40 FKAB Clc1ccccc1-c1ccc(CNCCc2c[nH]c3ccccc23)o1 20876070 LRLPETGVJQXYFU-UHFFFAOYSA-N 350.849 5.414 0 40 FKAB CCCc1cc(Nc2ccc(CC)cc2)n2ncc(-c3ccccc3)c2n1 27585194 QJVAWSOIEJXHOX-UHFFFAOYSA-N 356.473 5.655 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(C)CCOc1ccccc1F 40096306 OVQCESWRZILVNR-UHFFFAOYSA-N 372.484 5.615 0 40 FKAB CCC(C)(C)c1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770989 BBWOGFZPNUMNFI-HNNXBMFYSA-N 354.332 5.048 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)N1CCc2ccccc21 48333082 NJZVNUUUGPMKSF-UHFFFAOYSA-N 359.494 5.099 0 40 FKAB COc1ccc([C@H](NC(=O)/C=C(/C)c2ccccc2)c2ccccc2)cc1 67192389 WMOMDRTXZCXXML-IFUNHVJGSA-N 357.453 5.004 0 40 FKAB CC(C)(C)Sc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72217356 CKMGOHAJLXCRDH-SFHVURJKSA-N 370.518 5.446 0 40 FKAB Cc1ccc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 82252215 BRDNKVFABWUKDM-OEAKJJBVSA-N 350.849 5.673 0 40 FKAB CC(C)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1 98086875 JOADSYUAQMGAON-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC 101652082 UCLGIKKXOIONJU-NHKCCNDQSA-N 351.534 5.656 0 40 FKAB COc1cc(C2C3=C(CC(C)(C)CC3)NC3=C2CCC(C)(C)C3)ccc1O 101745381 BHDYXWSYDOENPC-UHFFFAOYSA-N 367.533 6.016 0 40 FKAB C[C@@]12C(=O)[C@](C)(O[C@@H]1c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104076436 KOFXUASYYBAGTQ-DMTNHVFBSA-N 366.460 5.717 0 40 FKAB O=C(NCc1cncc(-c2ccsc2)c1)c1cc2cc(F)ccc2s1 206945584 JBSAAVUFIGNLCN-UHFFFAOYSA-N 368.458 5.094 0 40 FKAB CC(C)C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 215996802 DQPDOSSWEMUBPS-XMMPIXPASA-N 373.496 5.783 0 40 FKAB COc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224155468 DZDITKNBUQYOMU-CQSZACIVSA-N 361.397 5.001 0 40 FKAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccc2ccccc2c1 225083679 KJWNUMXMZCJPGK-QGZVFWFLSA-N 361.224 5.221 0 40 FKAB S=C(NCCSc1ccccc1)Nc1ccc(OC2CCCC2)cc1 225285441 IEIOQWRBEXPIIO-UHFFFAOYSA-N 372.559 5.087 0 40 FKAB Cc1ccc(CSCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225294136 OUMUTHOHCJUZKW-UHFFFAOYSA-N 374.575 5.002 0 40 FKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C 225696823 HGCABLHRCQEDKP-UHFFFAOYSA-N 363.542 5.590 0 40 FKAB O=C(NCc1ccc(Cl)cc1)N[C@H](c1ccsc1)c1cccs1 390826904 RDWJNKSBQGJQKV-MRXNPFEDSA-N 362.907 5.052 0 40 FKAB CC(C)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409005024 CWIDLLNQKUSRPZ-RGEXLXHISA-N 351.471 5.089 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H]3C[C@@H]3c3cccc(F)c3)sc2c1 1775977883 YMGPTSDPJIBOHN-XJKSGUPXSA-N 373.880 5.536 0 40 FKAB CCc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 649728 PWBBMYYCWOXSSV-UHFFFAOYSA-N 361.470 5.210 0 40 FKAB Clc1ccc2c(c1)[C@H](O[C@@H]1CN3CCC1CC3)c1ccccc1CS2 702162 BMQGWQJMFCYXPU-TZIWHRDSSA-N 371.933 5.146 0 40 FKAB Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccccc3C)s2)cc1 1345322 RHHXBWZCQWZEFQ-UHFFFAOYSA-N 365.502 5.125 0 40 FKAB CCCC[C@H](CC)C(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccccn1 1675623 UGVNESXSYFEYCH-RDPSFJRHSA-N 366.549 5.105 0 40 FKAB Brc1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 2120236 WSKDRYDGQHEENQ-UHFFFAOYSA-N 374.281 6.574 0 40 FKAB Cc1c(Cl)cccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2282243 MDYHRWQQWZAJKK-MRXNPFEDSA-N 364.876 5.229 0 40 FKAB CCCCc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1CCC2 2321917 IJKDCSBPKAQRTC-UHFFFAOYSA-N 366.534 5.061 0 40 FKAB Cc1ccc(C)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 3123404 GMSMBWMTBLESFN-UHFFFAOYSA-N 353.358 5.981 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc21 3349220 PGSKFSYFMCHBOK-UHFFFAOYSA-N 367.452 5.477 0 40 FKAB O=C(/C=C/c1cccs1)Nc1ccccc1-c1nc2ccccc2s1 4194736 GSOQKHUVZWVBJS-VAWYXSNFSA-N 362.479 5.677 0 40 FKAB C[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2 4899323 NNLZRTQGMULSBB-RVBRCVSUSA-N 365.561 5.682 0 40 FKAB CCc1c(-c2ccccc2)nc2sc(C(=O)c3ccccc3)c(N)c2c1C 5327884 CNNGPNKAEPBXMA-UHFFFAOYSA-N 372.493 5.647 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 5898650 ACXOWVITYPWNTQ-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB Clc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 6225258 JZHWXDMYWGMZQX-XCVCLJGOSA-N 373.268 5.330 0 40 FKAB COc1ccc(Cl)cc1NC(=O)N(c1ccccc1)c1ccccc1 7616190 JGPPTOKYAYNDEZ-UHFFFAOYSA-N 352.821 5.719 0 40 FKAB CCc1cccc(CC)c1NC(=O)Cc1csc(-c2ccccc2)n1 8844208 OSRFPZHEKWPBLE-UHFFFAOYSA-N 350.487 5.116 0 40 FKAB CC(C)COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 9204369 DOAOIVFIQZHIJN-UHFFFAOYSA-N 369.486 5.219 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12577077 FPMVNRLJBOWVOY-KVDXNUTJSA-N 359.473 5.063 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(C)c3C)s2)cc1 12972350 SGQOBFVLNCMNFQ-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2c3c(cccc13)CC2 13011637 PRZCRHMPISATKY-UHFFFAOYSA-N 374.465 5.145 0 40 FKAB FC(F)(F)c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 13823383 ZOAABJICFHMDSF-INIZCTEOSA-N 350.409 5.069 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2ccc(O)cc2)CC(=O)N3)C1 15106454 HJLKMEAWGDEDRM-CJNGLKHVSA-N 355.503 5.079 0 40 FKAB c1ccc(CCN(Cc2ccccc2)Cc2cccc3ccccc23)cc1 19849819 WEHSOFQDERWPIL-UHFFFAOYSA-N 351.493 6.085 0 40 FKAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(CO)o1 20137699 IRJRNOQUQPHABG-UHFFFAOYSA-N 363.457 5.297 0 40 FKAB COc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1OC 27525983 XYRLTFLTBJDOSI-UHFFFAOYSA-N 372.468 5.428 0 40 FKAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(Nc2ccccc2)cc1 32843959 QKWWUIDQCXATOL-UHFFFAOYSA-N 366.848 5.273 0 40 FKAB Cc1ccc(C(/C(Cl)=C(/Cl)C(=O)O)c2ccc(C)cc2C)c(C)c1 33858522 NBVVLWUGWWMCQV-HNENSFHCSA-N 363.284 5.826 0 40 FKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 41085976 FBQMHHQDZJXQIT-UHFFFAOYSA-N 353.853 5.402 0 40 FKAB Cc1ccc(C)c(-c2cc3c(SCc4ccccc4C)nccn3n2)c1 45925470 WSZUHQYRPQUGHQ-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB Cc1nc(Cc2nc(-c3cc(C)n(-c4nccs4)c3C)cs2)cs1 46814879 ZXECARXKMQBJBG-UHFFFAOYSA-N 372.544 5.030 0 40 FKAB C[C@@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@@H](Cc4ccccc4)CC[C@]3(C)[C@@H]1CC2 68602099 UYEUVWXDRDBSDY-BVOVODAKSA-N 350.590 7.278 0 40 FKAB Clc1cc(CN(Cc2ccco2)Cc2cccs2)cc(Cl)n1 95369304 POSDQUJSWDKFQH-UHFFFAOYSA-N 353.274 5.245 0 40 FKAB Cc1nc2c(Cl)cccc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101185866 KFGVTCJOFFWGIG-LHSJRXKWSA-N 358.913 5.303 0 40 FKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1CSc1ccccc1 224324074 LYCSXDKOIUNZHV-UHFFFAOYSA-N 367.445 5.379 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 224429549 BEYJGHYVTQEAMT-WOJBJXKFSA-N 369.505 5.045 0 40 FKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1C 225667940 FFAAGMNYDWZOKG-OAQYLSRUSA-N 353.506 5.625 0 40 FKAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@@H](C)C1 225833783 VNDFLKZFVOKEKA-HXOBKFHXSA-N 369.505 5.551 0 40 FKAB Fc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 409190248 QPVBKYHKMKBPJP-JEBQAFNWSA-N 352.236 5.767 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1 828360 MUVUKLRYQJFDKC-AVRDEDQJSA-N 356.469 5.587 0 40 FKAB CCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 932762 POVUBCBGOMDFDQ-UHFFFAOYSA-N 360.841 5.269 0 40 FKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccnc1Cl 1418814 PWYHLBZKNCBKHI-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1OC 1771553 RFWJNOVCMJHURY-RIYZIHGNSA-N 371.452 5.445 0 40 FKAB Cc1ccc2cccc(SCC(=O)Nc3cc(Cl)ccc3C)c2n1 2334338 WHSOIDHLMZCLRU-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB O=C(Nc1ccc(O)cc1)c1sc2cccc(OC(F)F)c2c1Cl 2791141 GMWAODMOYPSPAA-UHFFFAOYSA-N 369.776 5.114 0 40 FKAB Cc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 3077558 FWKHYQUPFBQNGD-UHFFFAOYSA-N 367.385 6.290 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1 3293891 AWMVQNRNJPDXTM-UHFFFAOYSA-N 361.775 5.276 0 40 FKAB CC1=C(c2ccc(Cl)cc2)N=NC(=N)/C(=C/c2ccc(Cl)cc2)S1 4338619 UFEKZVVMKRPUHJ-RVROMCMOSA-N 374.296 6.899 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F 4814234 OZRPWKOFAADUMV-UHFFFAOYSA-N 369.386 5.866 0 40 FKAB CC(C)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 4971004 IOBVUHVDONOBJG-UHFFFAOYSA-N 374.509 6.127 0 40 FKAB Cc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2)cc1 5031005 RPHLVHZMIVJOPH-UHFFFAOYSA-N 371.461 5.489 0 40 FKAB C[C@@H](NC(=O)CCCSc1ccccc1)C12CC3CC(CC(C3)C1)C2 6052346 DVRXSPGNKALVPG-GSQFEDNKSA-N 357.563 5.280 0 40 FKAB CCOc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 6303754 YLTGABOEDYEOGC-UHFFFAOYSA-N 370.301 5.264 0 40 FKAB O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(Cl)ccc1Cl 6346595 VVRFYDIZCCZQER-UHFFFAOYSA-N 360.240 5.468 0 40 FKAB O=C(NC1CCCCCCC1)c1cccnc1Sc1ccccc1Cl 6558576 OTSKGLUHIWCKKF-UHFFFAOYSA-N 374.937 5.729 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccc(Cl)c1)Cc1ccco1 6810656 MRUOBHMITSDWBW-UHFFFAOYSA-N 369.848 5.174 0 40 FKAB O=C(Nc1ccccc1)c1sc(-c2cccs2)nc1-c1ccccc1 7007492 ABCZBMYQPXGTRX-UHFFFAOYSA-N 362.479 5.791 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 7080157 RRIYRZNVJMRULF-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13649181 QMWFDJJCQMNJMF-IRXDYDNUSA-N 355.547 5.651 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 16221522 RWSUORVSIMRRID-UHFFFAOYSA-N 372.852 6.080 0 40 FKAB CCCCc1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc1 17075773 SZXJIJKEJHFKCM-UHFFFAOYSA-N 369.509 5.179 0 40 FKAB Brc1ccc2nc(-c3ccccc3)cc(Br)c2c1 19721611 AGAKHULHQHIHLB-UHFFFAOYSA-N 363.052 5.427 0 40 FKAB FC(F)(F)c1ccc(Cl)c(-c2ccc(CNCc3ccco3)o2)c1 20158575 QWSVRVLIYOKNDJ-UHFFFAOYSA-N 355.743 5.502 0 40 FKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cccc4c32)cc1 21017490 LGGQQNKNWBZHCB-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB Clc1ccccc1-c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1 22933785 UTFUHHIUCFMCIT-IBGZPJMESA-N 370.880 5.120 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1Cc1ccccc1 30763993 RZCMELKWRFEQNG-KRWDZBQOSA-N 368.527 5.027 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(Cl)c1 30867261 STDXFQODRIDZJC-MRXNPFEDSA-N 354.302 5.811 0 40 FKAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccc2ccccc2c1 32105988 DJBWFHUKWTWVTJ-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(Cl)ccc1Cl 193404818 AQLDIBMWNOACLB-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCS[C@@H](c2cccs2)CC1 219518899 BXDFTIDYKAWBBG-MRXNPFEDSA-N 359.541 5.283 0 40 FKAB Cc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1Cl 222604107 FIXQPHSFDJTPAH-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 224437135 ORVTYFJQDOMTLU-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(F)(F)F 225347644 XQTUQZFCKIGLNX-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225554614 DSVHNKGVULBBNB-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 250576097 OFLWCQNVMZPNAV-HKKHYUGTSA-N 361.485 5.805 0 40 FKAB Cc1cc(-c2ccc(Cl)cc2)n2nc(-c3ccc(Cl)cc3)cc2n1 409075248 XXQSCLLCWSTNGJ-UHFFFAOYSA-N 354.240 5.679 0 40 FKAB COc1ccc(C(=O)Oc2cc(C)ccc2C(C)C)cc1Br 670395 BNKCVJFVRVVITK-UHFFFAOYSA-N 363.251 5.109 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 675314 FOPSXQVIMJWSAJ-UHFFFAOYSA-N 374.278 5.202 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(/C(C)=N\O)=CC[C@@H]32)C1 758015 RXZQACCASWKYSX-GMXVYHKVSA-N 373.537 5.347 0 40 FKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl 840270 ZQAQDOSESHSOIY-XFYPZNOGSA-N 373.883 5.822 0 40 FKAB C[C@H]1CC(C)(C)N(C(=O)c2sc3ccccc3c2Cl)c2ccccc21 852655 MNVWUPOXSIGJNY-ZDUSSCGKSA-N 369.917 6.487 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccccc2)c(C(C)C)c1 987401 BEGVPEMCQXSQST-UHFFFAOYSA-N 359.535 5.858 0 40 FKAB CCOC(=O)/C(=C/c1cccc2ccccc12)P(=O)(OCC)OCC 1674637 UXIVPFUAIKXJLT-JXAWBTAJSA-N 362.362 5.010 0 40 FKAB COc1ccc([C@@H](CCN[C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 2448445 LTARLXNMDBFWOI-KOSHJBKYSA-N 363.476 5.707 0 40 FKAB C[C@@H]1CCCC[C@@H]1NC(=O)CCN1c2ccccc2Sc2ccccc21 2654810 BGDUSTBQAHCQIL-SJORKVTESA-N 366.530 5.374 0 40 FKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccccc2Cl)cc1 3084827 JXGCPRAWMXCDPX-UHFFFAOYSA-N 362.904 5.982 0 40 FKAB Cc1sc(NC(=O)c2ccc3ccccc3n2)nc1-c1ccc(F)cc1 3330408 UNIZRKNXZDALNK-UHFFFAOYSA-N 363.417 5.058 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CCC2=O 4083597 NIXXKMPUWREKQR-MWYYKCLVSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro CCCc1sc(Nc2ccc(OC)cc2)nc1-c1ccc(C)c(C)c1 4859415 LXUUWGXRAMYQIF-UHFFFAOYSA-N 352.503 6.132 0 40 FKAB O=C(O)c1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1 5491464 VTSJFENFSFNKJI-UHFFFAOYSA-N 374.827 5.762 0 40 FKAB COc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1Cl 6128631 ROCFYGJRYZOWCM-UHFFFAOYSA-N 367.832 5.033 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccccc1Cl 8917109 XPEPAASXBJJMCD-UHFFFAOYSA-N 369.848 5.174 0 40 FKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 11327698 FBZFMUHBENCYIM-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB O=C(c1cc(Cl)ccc1F)N1CCC(c2nc3ccccc3s2)CC1 12920981 AODQGGXVIACFGA-UHFFFAOYSA-N 374.868 5.109 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1 14651582 MAQYQWGBLLHTKE-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB COc1cccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)c1OC 19879413 AACUFOSLHZEURW-JOCHJYFZSA-N 373.456 5.090 0 40 FKAB COc1cc2c(cc1OC)[C@@H](C)N(Cc1c(Cl)cccc1Cl)CC2 20567476 GZCKKOJOQYUYAQ-GFCCVEGCSA-N 366.288 5.130 0 40 FKAB OC1=NC(=S)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1 33493485 SYSPQVSFYJERIH-SDQBBNPISA-N 372.323 6.051 0 40 FKAB COCc1c(C(=O)N(C)[C@@H](C)c2ccccc2)sc2cccc(F)c12 37115291 DUPIAYPDQMMRLM-ZDUSSCGKSA-N 357.450 5.020 0 40 FKAB CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 44843560 WYERZACSMAFISB-QGZVFWFLSA-N 368.329 5.494 0 40 FKAB CCC[C@H](NC(=O)c1cccc(COC)c1)c1cccc(C(F)(F)F)c1 58218979 CJXXPQBADLECSS-SFHVURJKSA-N 365.395 5.123 0 40 FKAB Cc1cc(NC(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)n(C)n1 64620526 DGUYCGVRDCNMIP-UHFFFAOYSA-N 374.366 5.058 0 40 FKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1Cl 73740042 NQXPEXZJWDKRBD-UHFFFAOYSA-N 353.252 6.308 0 40 FKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 98073257 MGJYVJWSEQZBPC-UHFFFAOYSA-N 363.166 5.965 0 40 FKAB Brc1cccc(-c2nc3cc(CN4CCCCC4)ccc3o2)c1 216840689 WBVXZANTXHYUBH-UHFFFAOYSA-N 371.278 5.243 0 40 FKAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)c(Cl)c1 222558084 GBSAPDSHWPJPGV-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 222889493 MTMCXDUCNYKOTD-HSZRJFAPSA-N 373.496 5.312 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224416311 WJHMJMFGCHMXPX-CYBMUJFWSA-N 365.816 5.645 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515075 CGQXBMYSBCDYPT-INIZCTEOSA-N 355.453 5.454 0 40 FKAB CCOc1ccccc1-c1nc(SCc2cccc3ccccc23)n[nH]1 408527112 KYJUOJPGEZHPHX-UHFFFAOYSA-N 361.470 5.316 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(-c2nc(C)sc2CC)cc1 408581787 ZIQKEBRRTQBUFW-UHFFFAOYSA-N 350.487 5.496 0 40 FKAB CCc1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 408587084 PXFAPUYMJBQEBB-UHFFFAOYSA-N 365.860 5.734 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)c1ccccn1 834115 YTQJALFDRAHCGW-UHFFFAOYSA-N 357.240 5.235 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1scc2c1c(=O)oc1ccccc12 1036658 XPORXLWZAKTYQS-UHFFFAOYSA-N 370.817 5.305 0 40 FKAB COc1cccc(-c2nc(Nc3ccc(C)cc3)c3ccccc3n2)c1O 2237168 LOBHMUPVXRJHIU-UHFFFAOYSA-N 357.413 5.063 0 40 FKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccco1 2317711 FMKCCIQJPSLMIX-UHFFFAOYSA-N 360.413 5.772 0 40 FKAB FC(F)(F)c1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1 2684050 DPCZKJJSEQONFQ-UHFFFAOYSA-N 371.387 6.121 0 40 FKAB CCOc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC)c1C2 2689876 MVIQJDPYBUDWPO-UHFFFAOYSA-N 364.470 5.351 0 40 FKAB COc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nc4ccccc4n32)cc1 2914955 KJJUUHRXNFIJGG-QHCPKHFHSA-N 367.452 5.409 0 40 FKAB CCCCCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1 3107767 IEXAHRBMNYVSKM-UHFFFAOYSA-N 367.239 5.220 0 40 FKAB CCN(CC)C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 3198558 UHUFROGXTLCJGZ-UHFFFAOYSA-N 350.434 5.227 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(F)cc1Cl 3262089 YPLKRWZMEPLZKO-UHFFFAOYSA-N 371.220 5.005 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Cc1ccccc1 3284190 BSVKBCPQLMCCMS-UHFFFAOYSA-N 355.359 5.549 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2oc3ccccc3c2C)cc1 3294848 FSOUAJXFHDZZQM-AWEZNQCLSA-N 365.429 5.050 0 40 FKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)cc1 3339508 OKRJXIUTMOHKLC-UHFFFAOYSA-N 373.786 5.971 0 40 FKAB CCOC(=O)/C=C(C)/C=C\C=C(C)\C=C/c1c(C)cc(OC)c(C)c1C 3872535 HQMNCQVAMBCHCO-OZEFDMRKSA-N 354.490 5.646 0 40 FKAB in-man Cc1ccc(Cl)c2sc(NC(=O)c3nc4ccccc4s3)nc12 4264283 FAAKQFALLKNDOX-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(C2CCCCC2)cc1 4435005 BNXLFFQEBBMWIY-UHFFFAOYSA-N 362.425 5.102 0 40 FKAB CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CCCC2 4600461 DQNOMUZFGAUODF-UHFFFAOYSA-N 374.481 5.003 0 40 FKAB C[C@@H](CC[C@@H](COc1ccccc1N)[C@@H](C)CC(C)(C)C)CC(C)(C)C 5211300 HGQBRBXGVRFTTN-UFYCRDLUSA-N 361.614 7.189 0 40 FKAB O=C(c1ccc(Cl)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 5939089 FNKQIIMQTYKJKK-LJQANCHMSA-N 356.252 6.030 0 40 FKAB CC(C)=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl 6483683 ORTIQSICVORWBJ-UHFFFAOYSA-N 351.924 5.843 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccoc4C)o3)cs2)cc1 7195317 DVMIVTBOMCAWQD-UHFFFAOYSA-N 369.471 5.362 0 40 FKAB CCOc1cccc(CNC2CCCCCCC2)c1OCc1ccccc1 7539510 PYLOOFICABKULW-UHFFFAOYSA-N 367.533 5.867 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1 8277714 BIBKTYIMUCXLDF-UHFFFAOYSA-N 369.873 5.752 0 40 FKAB COc1ccccc1-c1nc(CSc2nc3ccccc3s2)cs1 8278766 IQFNCOMTQATSKC-UHFFFAOYSA-N 370.524 5.721 0 40 FKAB C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(C(C)(C)C)cc1 10275889 HPAXHCSXKBKYJB-INIZCTEOSA-N 371.480 6.375 0 40 FKAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1C 14654499 ITOBVVOLXQDWRS-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB Cc1cc(Br)ccc1NCc1ccc(Br)cc1 19232744 ZDPAIFDFGPWOJT-UHFFFAOYSA-N 355.073 5.132 0 40 FKAB CC[C@H](c1ccc(OC)cc1)N(C)CN(C)[C@H](CC)c1ccc(OC)cc1 19321511 YXAIRMNQLUEZSJ-DHIUTWEWSA-N 370.537 5.127 0 40 FKAB Cc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)c(C)c1 27027243 XSUOCCFQVCUODB-UHFFFAOYSA-N 372.921 5.139 0 40 FKAB CC(C)Oc1ccccc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 33530725 MVLLUTCCBIJIHF-SSZFMOIBSA-N 367.470 5.489 0 40 FKAB C[C@@H](c1ccccc1F)N(C(=O)COc1ccc2ccccc2c1)C1CC1 40070302 ZXZKBDPXHXPARJ-INIZCTEOSA-N 363.432 5.110 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351966 YKMBGNYMTDNQTG-IIBYNOLFSA-N 369.505 5.028 0 40 FKAB Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 95116778 ADGMPUOGZXKZGA-PXNSSMCTSA-N 350.418 5.130 0 40 FKAB CCCOc1c(/C=C2\C(=O)Nc3cc(Cl)ccc32)cccc1OCC 96662916 RGIBXTYTLDQVTJ-WJDWOHSUSA-N 357.837 5.020 0 40 FKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(F)cc3)cc(C)c2o1 98086957 RZLLIAFDJKMLQX-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB ClC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 104343555 MCSJNCWYTVAOCR-UHFFFAOYSA-N 354.880 6.884 0 40 FKAB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)C(F)(F)F)CC[C@]3(C)[C@H]1CC2 118925371 OGQQARADPATKJB-YLQUGHGXSA-N 370.455 5.813 0 40 FKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 214160656 KQGMMTNUIDNUQY-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccco2)CC1 219434074 RIMXSOTTZYSZDX-OAHLLOKOSA-N 370.396 5.011 0 40 FKAB O=C(CCc1cccc2ccccc12)NCCOc1ccc2ccccc2c1 223638439 HLKHPVHLIFYYMB-UHFFFAOYSA-N 369.464 5.121 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224624128 YSUSJPJERCWEPF-FQEVSTJZSA-N 365.860 5.388 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225809860 BHMJOCLRLBVYRK-OPAMFIHVSA-N 355.478 5.162 0 40 FKAB COc1ccc(C2(NC(=S)Nc3cccc(Cl)c3)CCCC2)cc1 225844553 YPMOESQGQYYEGZ-UHFFFAOYSA-N 360.910 5.105 0 40 FKAB COC1(COc2ccc(C)cc2C)CCN(C2CCC(C)(C)CC2)CC1 585281897 SOQUVAREDNRDTL-UHFFFAOYSA-N 359.554 5.132 0 40 FKAB CCCCCn1c2ccccc2c2c(=O)n(C(C)(C)c3ccccc3)ccc21 1083104318 AWHWTKXMUJLSRM-UHFFFAOYSA-N 372.512 5.930 0 40 FKAB in-vitro Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1 873716 ILDKCZHUKPAAEW-UHFFFAOYSA-N 358.875 5.725 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nc3ccc(F)cc23)c1 976585 RLVXTZMMHCHMBZ-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB Cc1ccc(NCn2nc(-c3ccc(C(C)(C)C)cc3)oc2=S)c(C)c1 1059904 HNMIBYKPGMIGMS-UHFFFAOYSA-N 367.518 5.857 0 40 FKAB O=C(Oc1ccc2ccccc2c1)c1ccccc1C(=O)c1ccccc1 1646455 IIULSTSLQMVCCN-UHFFFAOYSA-N 352.389 5.290 0 40 FKAB Cc1ccc(Cl)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 1893983 QOXNKZSVKMFMMF-UHFFFAOYSA-N 362.816 5.757 0 40 FKAB CC1=Cc2c(ccc3ccccc23)O[C@]12C=Cc1c(ccc3ccccc13)O2 2268014 UDFAHPRGDYRYPU-AREMUKBSSA-N 362.428 6.591 0 40 FKAB c1ccc(CCN[C@@H]2CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1 2269428 UOXHIMPHQIDOBD-RUZDIDTESA-N 372.556 6.425 0 40 FKAB Cc1cc(C)c2c(c1)C(C)(C)[C@@]1(C=Nc3c(ccc4ccccc34)O1)N2C 2270728 QVBSPNHPYWJRTN-DEOSSOPVSA-N 356.469 5.675 0 40 FKAB COc1ccc([C@@H](CCN[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 2448444 LTARLXNMDBFWOI-UUOWRZLLSA-N 363.476 5.707 0 40 FKAB Clc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3211244 BZGSCMZTEYACIZ-UXHICEINSA-N 360.848 5.231 0 40 FKAB Cc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 3222334 MYMYJYYXOOVXFI-UHFFFAOYSA-N 354.500 5.239 0 40 FKAB O=C(/C=C/c1cccc(Br)c1)Nc1ccccc1C(F)(F)F 3366964 DKTDIVDZVQJAIA-CMDGGOBGSA-N 370.168 5.120 0 40 FKAB FC(F)(F)[C@@H]1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1 3405914 LSDOEGLUVPLPHX-CYBMUJFWSA-N 363.408 5.137 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c(C)c1 3438320 ZPOPODICIPTDMA-UHFFFAOYSA-N 358.485 5.581 0 40 FKAB CCCC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2CCCC)cc1 4017635 ZFRQJCSUEYJJQM-XAMWDVODSA-N 356.510 5.216 0 40 FKAB C1=C(c2ccccc2)N2C(=NN=C(c3ccccc3)[C@@H]2c2ccccc2)S1 4667565 XCNCOCNJJDTECB-QFIPXVFZSA-N 367.477 5.549 0 40 FKAB Clc1ccc(-c2csc(-c3csc(-c4ccccc4)n3)n2)cc1 4671349 BLASFPHHVNKURZ-UHFFFAOYSA-N 354.887 6.254 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1 4723999 QDBHLFJJMWGUJT-UHFFFAOYSA-N 350.443 5.637 0 40 FKAB CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cccc(F)c2)s1 4982564 YEIJBRWCERDUFL-UHFFFAOYSA-N 369.465 5.100 0 40 FKAB CC(C)Oc1ccc([C@H](CC(=O)N2CCCCC2)c2ccc(F)cc2)cc1 5296288 DBHONJNJAGNVMN-JOCHJYFZSA-N 369.480 5.147 0 40 FKAB Fc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)c(F)c1 5775183 BUKVUIBWVZHBPU-OAQYLSRUSA-N 368.814 5.974 0 40 FKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 6597683 OFEIXIYZLKPHBQ-RXVVDRJESA-N 373.481 5.304 0 40 FKAB CC(=O)Nc1ccc(SCc2csc(-c3ccc(F)cc3)n2)cc1 7028403 YGGZSDHBDAXSRI-UHFFFAOYSA-N 358.463 5.200 0 40 FKAB CCOC(=O)c1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1 7520595 WLVSZBBOHHTCHI-UHFFFAOYSA-N 355.478 5.326 0 40 FKAB CCC(=O)Oc1ccc2ccccc2c1/C=C/c1ccc2cccc(O)c2n1 8036170 UJEOZWFITJRSOG-BUHFOSPRSA-N 369.420 5.579 0 40 FKAB c1ccc(Nc2nc(CSc3ncnc4sccc34)cs2)cc1 9469683 WMSZVKMZDLPKEK-UHFFFAOYSA-N 356.501 5.184 0 40 FKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c(C)c1 13785981 AJTJBLIFAGTZAF-CAOSSQGBSA-N 366.332 5.406 0 40 FKAB CC(C)=CCC/C(C)=C\COc1ccc2c3c(c(=O)oc2c1C)CCC3 13816444 UWTMAZAZKNSINT-SSZFMOIBSA-N 352.474 5.662 0 40 FKAB C/C(=C\c1ccccc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 15017643 IDYDKUGGKZEUMP-SGBWMABMSA-N 372.493 5.721 0 40 FKAB O=C1[C@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 17836941 COXAAIGTNDLOER-CWRNSKLLSA-N 374.267 5.067 0 40 FKAB C[C@H]1CCCC[C@@H]1N1CN(c2ccccc2)C(=S)N(c2ccccc2)C1 20374911 XDQUFZGDZXHXFK-RXVVDRJESA-N 365.546 5.094 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1cccc(C)c1 20460757 JYWMPZRARDFWME-LJQANCHMSA-N 361.938 5.268 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1cccc(Cl)c1 22072800 LJKGDNXVRSSKOG-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccc(F)cc1F 24876952 PWQCSPCESTWGQW-NRFANRHFSA-N 363.363 5.230 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(Cl)c3)ccc2c1 32716651 SEUORTJDVUOQKY-OAHLLOKOSA-N 367.876 5.264 0 40 FKAB C[C@H](SC(F)(F)F)C(=O)Nc1nc(-c2ccccc2Cl)cs1 33149835 GQBGRJYLHMSURH-ZETCQYMHSA-N 366.817 5.044 0 40 FKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CCC[C@@]4(C)[C@@H]3CC[C@@]21C 71775099 VOYKELMCSUDIBK-SRIBHTERSA-N 368.649 8.050 0 40 FKAB CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 80344289 LLAYMJPUPQJSLM-IRXDYDNUSA-N 350.245 5.134 0 40 FKAB O=C(Nc1ccccc1Cl)N(CCc1cccs1)Cc1ccoc1 90612440 AIVHQMWXMRCPLC-UHFFFAOYSA-N 360.866 5.271 0 40 FKAB CC(C)c1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96171292 IOAOIZZWMGZHBR-UHFFFAOYSA-N 356.775 6.126 0 40 FKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2[C@@H]1c1ccccc1 101227930 RHIFXWCFNVLMHO-QFIPXVFZSA-N 350.425 5.001 0 40 FKAB Fc1ccc(COc2cccc(CNc3ccc(F)c(Cl)c3)c2)cc1 107042898 FUWQUYVTANXKEE-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222797509 SAOUBGUXZJHGMU-HXUWFJFHSA-N 369.917 5.680 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222907627 WMEPJBBHMLZZGT-DLBZAZTESA-N 353.531 5.232 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223491903 VTPJMWDKLHRYNZ-PGRDOPGGSA-N 353.506 5.209 0 40 FKAB CC(C)C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225493740 QSEHDSMXQFDRSE-KRWDZBQOSA-N 366.452 5.779 0 40 FKAB CC(C)Oc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225578507 NAFXPWDVCUTOPV-SFHVURJKSA-N 370.518 5.063 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C 225715452 QDBMQEQQSRAPEP-QGZVFWFLSA-N 366.452 5.760 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225740262 KTLGGCFDXTYWGN-HSZRJFAPSA-N 369.505 5.498 0 40 FKAB Cc1cccnc1NC(=S)NC1(CCc2ccc(Cl)cc2)CCCC1 225872288 FYUWUQYDLPTLSN-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB S=c1nc(-c2ccccc2)n(CCCc2ccccc2)c2c1CCCC2 645724 LOXOIOBDUSQMFO-UHFFFAOYSA-N 360.526 5.791 0 40 FKAB c1csc(-c2cc(-c3nnc(-c4cccs4)o3)c3ccccc3n2)c1 907867 MTMHORTYGMMDJC-UHFFFAOYSA-N 361.451 5.742 0 40 FKAB OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(Cl)Cl 1675578 YOIFHPFEVRRPJF-UHFFFAOYSA-N 354.035 5.330 0 40 FKAB CCCOP(=O)(OCCC)C(=O)Nc1ccc(Br)cc1 1679143 SNLFTLTYTBPJHT-UHFFFAOYSA-N 364.176 5.027 0 40 FKAB O=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2c1CCCCC2 2146980 LBICUZZFEOGPFP-UHFFFAOYSA-N 364.828 6.129 0 40 FKAB biogenic CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)C(F)(F)F 2250752 ONSGCERDAFXIGI-UHFFFAOYSA-N 361.435 5.350 0 40 FKAB O=C(NC1CCCCC1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2741400 LOCPDVQNTMBJAV-UHFFFAOYSA-N 370.905 5.679 0 40 FKAB CCCCCCc1ccc(Nc2nc(SC)ncc2C(=O)OCC)cc1 2761130 BSKNOUWXFLHLGS-UHFFFAOYSA-N 373.522 5.242 0 40 FKAB O=P(Nc1cccc(Cl)c1)(Oc1ccccc1)Oc1ccccc1 3123389 UUAMTSUZPHSPON-UHFFFAOYSA-N 359.749 6.018 0 40 FKAB Clc1ccc(Oc2nc(-c3cccs3)nc3ccccc23)cc1Cl 3385284 UMXYRWWHMRLYRG-UHFFFAOYSA-N 373.264 6.457 0 40 FKAB Cc1cccc(C)c1Nc1c(-c2c[nH]c3ccccc23)nc2cnccn12 3896528 MPTWODLCWHYWNR-UHFFFAOYSA-N 353.429 5.238 0 40 FKAB C[C@H](C[C@H](CC[C@@H](C[C@@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410155 RBOUZWSMOPFOLI-CZYKHXBRSA-N 368.694 6.552 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1 4822043 JUGAGURZUCFILE-DHIUTWEWSA-N 355.497 5.223 0 40 FKAB CSC1=Nc2ccccc2S[C@H](c2ccccc2)[C@@H]1c1ccccc1 5519061 DHHILVGNVAZUMP-LEWJYISDSA-N 361.535 6.710 0 40 FKAB Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 5795378 OFGYITTZXFNSSB-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB CC(C)CCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 6387641 ZMPWSMWIMPZSHN-XDHOZWIPSA-N 369.848 5.109 0 40 FKAB O=C1/C(=C/c2ccccc2OCc2ccccc2F)Sc2ccccc21 6495720 CGCIJYOWQSAMLW-BKUYFWCQSA-N 362.425 5.734 0 40 FKAB CC(C)Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(C)C)cc1 6881515 RAUYZMUVOIBRPG-SFHVURJKSA-N 352.522 5.298 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 6890332 DYEOXKOZJHJQRT-UHFFFAOYSA-N 355.359 5.554 0 40 FKAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)s1 7044896 RQRRNWRICZUJBL-UHFFFAOYSA-N 354.214 5.067 0 40 FKAB O=C(c1ccc(Cl)s1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104718 WWOHRRYIOXYPMZ-NSHDSACASA-N 362.907 5.031 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C(C)C)c1 12798589 ZCWHLARHSBNYQE-UHFFFAOYSA-N 364.489 5.078 0 40 FKAB Cc1cc(Cl)ccc1OCc1sc(-c2ccc(Cl)cc2)nc1C 12954025 JUDVYNVJHMMFNM-UHFFFAOYSA-N 364.297 6.313 0 40 FKAB COc1cccc(-c2nc(Oc3cc(C)cc(C)c3)c3ccccc3n2)c1O 13122788 HMBWWYPOLRCVNJ-UHFFFAOYSA-N 372.424 5.420 0 40 FKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\CS(=O)(=O)c1ccc(C)cc1 17104311 IIMOCWXERPQCQP-FUJGENARSA-N 360.563 6.188 0 40 FKAB Clc1cc(Cl)cc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 17179811 LRHIFMKEPOZEPL-UHFFFAOYSA-N 367.239 5.742 0 40 FKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1 18178770 XAJROUBTHVWPNX-HXUWFJFHSA-N 355.441 5.122 0 40 FKAB Cc1cc(N)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 19736427 MYGJKZWSEWXXPP-UHFFFAOYSA-N 368.521 5.190 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N2CCC(Cc3ccccc3)CC2)c1 20237967 YLHXHAUFJNGNTN-UHFFFAOYSA-N 367.558 5.018 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2cccc3ccccc23)c1 32611286 OMPIDRLZTAWBNU-SFHVURJKSA-N 361.485 5.528 0 40 FKAB Clc1ccccc1COc1cccc(CNc2ccccc2Cl)c1 33650937 MUBZCMJOZXUUQN-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Clc1ccccc1NCc1cccc(OCc2cccc3ccccc23)c1 33716131 FYFQGAFMIGRREX-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB CCc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1 36634897 APBUPQKGTVJXRC-UHFFFAOYSA-N 358.869 5.791 0 40 FKAB CCCN(Cc1ccsc1)C(=O)NC(c1ccccc1)c1ccccc1 44447418 LHJVBGCZTQBOOA-UHFFFAOYSA-N 364.514 5.459 0 40 FKAB Cc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 64472495 GDVULPCPPCHMFG-UHFFFAOYSA-N 372.493 6.075 0 40 FKAB Cc1ccc(S[C@@H]2CCC(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 65090579 MNUVCKIYHWDZHX-ISKFKSNPSA-N 373.521 6.024 0 40 FKAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccc(C)s2)CC3)cc1 96047260 QWKITVLBDMZTBN-UHFFFAOYSA-N 368.590 5.243 0 40 FKAB CC(C)CC[C@@H](CCN[C@H](C)c1cccs1)[C@H]1CCOC(C)(C)C1 102779511 LUPYCHXACSWWHP-QYZOEREBSA-N 351.600 6.046 0 40 FKAB FC(F)Oc1ccc(-c2cs/c(=N/c3ccccc3)n2C2CC2)cc1 105756172 CTSHXIPTFNCVEZ-ZBJSNUHESA-N 358.413 5.385 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1 214050242 XMJSKZMBDQSWQW-OVCLIPMQSA-N 364.253 5.230 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc3ccccc13)N2 247411482 PJSKYJZDYXRLSG-LBSWEZJRSA-N 369.464 5.835 0 40 FKAB CCC(CC)N(C(=O)c1ccc(C(F)F)nc1)[C@@H]1CCCc2cccnc21 585090798 KITXXKUMLILHFE-GOSISDBHSA-N 373.447 5.123 0 40 FKAB CCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 633151 RNQMCTWSCNSJSG-UHFFFAOYSA-N 367.452 5.354 0 40 FKAB COc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1O 904193 FQLOMZBCNHTYEK-UHFFFAOYSA-N 371.868 5.114 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 2622260 HXXAWTMNBFCDFP-UHFFFAOYSA-N 364.779 5.411 0 40 FKAB O=C(NC1CC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2738792 OPDTUBXMLVAUEZ-UHFFFAOYSA-N 357.240 5.101 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c1 2961442 KEZVAOXVBQHIOT-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB COc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3047357 CRHJIJZVKNHSHT-UHFFFAOYSA-N 372.493 6.045 0 40 FKAB Cc1ccc([C@@H](Nc2ccc(O)cc2)P2(=O)OCC(C)(C)CO2)cc1 4013204 FLNVXGCXCSJJHU-SFHVURJKSA-N 361.378 5.077 0 40 FKAB COc1cccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)nc3n2C)c1 4678514 GMUORGSBFAOBEY-UHFFFAOYSA-N 372.255 5.322 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1ccccc1)c1ccccc1 4862980 JRUKDLDAJZKDIP-SMXKYELJSA-N 371.461 6.095 0 40 FKAB O=C(CCC1CCCCC1)Nc1cccc(-c2cn3ccsc3n2)c1 5083517 MFJIJCIVTLIQQR-UHFFFAOYSA-N 353.491 5.362 0 40 FKAB CCCCCCOc1ccc(C(=O)Oc2ccc(CCCCC)cc2)cc1 5820370 IRMSQSDYVDQMKE-UHFFFAOYSA-N 368.517 6.598 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2ccccc2o1 6359460 JIJGMZZWDPDOGN-UHFFFAOYSA-N 369.877 5.657 0 40 FKAB O=C(O)COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 6598081 AXPLIQRGKWYNOZ-MDWZMJQESA-N 371.392 5.129 0 40 FKAB Cc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3C2CCCCC2)cc1 6785680 CUTJICCJOWXUGT-LJQANCHMSA-N 355.507 5.429 0 40 FKAB S=C(Nc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 7096190 QTPKVJAXWSPZFB-UHFFFAOYSA-N 370.930 6.300 0 40 FKAB Fc1ccccc1OCCCN1CCC(c2nc3ccccc3s2)CC1 8991346 GUFMZMYJASLQCV-UHFFFAOYSA-N 370.493 5.084 0 40 FKAB COc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccc1 12775997 AEIWIZFQCGLSSD-UHFFFAOYSA-N 363.482 5.264 0 40 FKAB CC1(C)C[C@H]([C@H](CCNCc2ccccn2)c2ccccc2Cl)CCO1 27666688 SIGNMPDIEJTHOU-MJGOQNOKSA-N 372.940 5.204 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)ccc2c1 32740952 ZNTIXYDOCSYPIR-JKSUJKDBSA-N 373.452 5.576 0 40 FKAB CCOc1ccc(Nc2c(-c3ccc(O)cc3)nc3cc(C)ccn23)cc1 35616468 LKKDFROAVTXGON-UHFFFAOYSA-N 359.429 5.158 0 40 FKAB CCOCCCNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 39975573 KQFUNVLPFBAJGM-UHFFFAOYSA-N 366.697 5.018 0 40 FKAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc2[nH]ccc2c1 40267248 CHKYIIDIKRMSKJ-UHFFFAOYSA-N 367.861 5.126 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cc(C)ccc3C)c2c1 46086200 RBFDGZDZGWXYJT-UHFFFAOYSA-N 351.446 5.789 0 40 FKAB CC(C)(C)c1ccc2oc(Nc3nc4cc(Cl)ccc4s3)nc2c1 57352924 MXHZRUIFXZVUGM-UHFFFAOYSA-N 357.866 6.132 0 40 FKAB CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC 72215232 ACNVLENRHNVGCA-WMZOPIPTSA-N 361.530 5.169 0 40 FKAB O=C1N=C(Nc2cc(Cl)cc(Cl)c2)/C(=C/c2ccncc2)S1 72400971 VYTNEVMJOWPAIN-ACAGNQJTSA-N 350.230 5.107 0 40 FKAB CC[C@@H](C(=O)NCc1sc(-c2ccccc2C)nc1C)c1ccccc1 96119219 XHJMBAFAOQVQGC-GOSISDBHSA-N 364.514 5.237 0 40 FKAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc2ccccc2c1 96759180 FLVYBRCDNLOMQS-SFQUDFHCSA-N 358.828 5.147 0 40 FKAB C1=C2[C@H](CCC1)[C@@H](c1ccc[n+](Cc3ccccc3)c1)O[C@H]1CCCC[C@H]21 101105823 VGZDMJBYELSMKA-WSOYEBOPSA-N 360.521 5.379 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3C 118930672 CUFSHWXGVRHVRN-KKSFVUKGSA-N 360.538 5.166 0 40 FKAB COc1ccc(C(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1OC 199767032 BVSXGCDRKJBKNV-UHFFFAOYSA-N 370.832 5.433 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1Cl 216300366 CMKXNWYNPWKXIX-INIZCTEOSA-N 352.261 5.406 0 40 FKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(C)cc1 223209367 NOBZOIYAMYKWFG-SFHVURJKSA-N 365.901 5.288 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223377581 WHNVCUCWDDSBND-QGZVFWFLSA-N 369.505 5.325 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1N1CCCC1 408575228 TVZGRFZXLKRSRL-FYWRMAATSA-N 358.441 5.199 0 40 FKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1C 408964879 SYRNMNRDTNVNID-XSFVSMFZSA-N 374.465 5.335 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(Cl)c1C 677404 BADQYQUPVMQUIP-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB Cc1ccc(C)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 682358 VFPBLUZSTXHTSV-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)oc2c1 864871 PYTSOHINVDPUDT-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB COc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 977188 GWMGKPMGJGELHD-UHFFFAOYSA-N 352.459 5.194 0 40 FKAB COc1ccc(SCc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 1388633 VQQLDNIOBKESJJ-UHFFFAOYSA-N 374.461 5.965 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 1510996 MZWJQBUWHWQYRV-UHFFFAOYSA-N 354.450 5.499 0 40 FKAB Cc1cc(=O)oc2cc(OC(=O)Nc3ccc(Cl)c(Cl)c3)ccc12 1560656 QTQXCJVAXPNMMB-UHFFFAOYSA-N 364.184 5.019 0 40 FKAB O=C(OC1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2079418 XLKVQEVZXDOPNW-UHFFFAOYSA-N 365.860 6.045 0 40 FKAB Cc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1 2425726 ZSKBJSRYHVODTH-UHFFFAOYSA-N 374.874 5.374 0 40 FKAB CC(C)(C)P(c1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C 2572422 WWUOMCDYYCYMIK-UHFFFAOYSA-N 366.510 7.095 0 40 FKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC2 3308942 GEBFRIIIKVYUMD-UHFFFAOYSA-N 352.286 5.213 0 40 FKAB COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1cccs1 3672761 XGJGFRLQVMWWQL-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB Cc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1C 4322990 CJBIFMYBCGITTN-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB CCCCCOc1ccc([C@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 4425419 AUFMKGRMGQMMSP-ZEQRLZLVSA-N 367.533 5.169 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(F)c1 4688528 RDTQZRRCAYQMBW-UHFFFAOYSA-N 366.358 5.087 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 5463507 YZTILDPCEXOZRK-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)[C@H](C)c1cccs1 5477723 GLYFRAIVXQXWND-DYESRHJHSA-N 365.583 5.669 0 40 FKAB Cc1ccc(OC(=O)CCCCCCC(=O)Oc2ccc(C)cc2)cc1 5929113 KRKUGPGLJNZSHF-UHFFFAOYSA-N 354.446 5.155 0 40 FKAB Fc1ccc(C(CCCSc2nncs2)c2ccc(F)cc2)cc1 6654369 OXBJUBVOWNPKLN-UHFFFAOYSA-N 362.470 5.521 0 40 FKAB COc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1Cl 6790063 RCEHGBFBCVOQQK-UHFFFAOYSA-N 370.232 5.608 0 40 FKAB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)c1 6963438 AQYGKVJMZBGNBG-HYARGMPZSA-N 356.469 5.228 0 40 FKAB Cc1cc(Br)ccc1NC(=S)Nc1cccc(Cl)c1C 6963965 QYPVYMCVWYBIDA-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 7164217 JATHKMNIDZMVOL-UHFFFAOYSA-N 365.458 5.468 0 40 FKAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9758448 JACQOQDSEQIMPY-DJJJIMSYSA-N 360.860 5.333 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 10434279 UFFGVLMZNRNESK-UHFFFAOYSA-N 373.496 6.348 0 40 FKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13649205 VGSQCXPOGNHWKM-KKSFZXQISA-N 369.505 5.028 0 40 FKAB S=C(NCc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 19074485 VOGNAFDOFGOGMX-UHFFFAOYSA-N 361.297 5.633 0 40 FKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 20455027 BDLNKYCBFVURGJ-FOIQADDNSA-N 357.469 5.158 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 22394977 ZCNTZSZLWIABFB-YOGCLGLASA-N 371.930 5.030 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cccc2ccccc12 27977140 YXBDAKCCGQLBSO-UHFFFAOYSA-N 369.468 5.214 0 40 FKAB Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1Cl 28114293 WGAPUODQTOYUOM-UHFFFAOYSA-N 362.305 5.234 0 40 FKAB Clc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1Cl 30823808 JCNDJWGZZKCLTR-UHFFFAOYSA-N 370.033 5.473 0 40 FKAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cccc2ccccc12 32741553 FGXZURQOXVFIJU-UHFFFAOYSA-N 368.816 5.012 0 40 FKAB Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)s1 32842497 STOPJRPAPMAUAC-UHFFFAOYSA-N 358.850 5.458 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38849534 VSMIEEZIUAJSCJ-OAHLLOKOSA-N 356.897 5.133 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44905907 WLIVJEOCAAUIIS-FQEVSTJZSA-N 364.533 5.170 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC 70735488 OHDQHYRXRWREJS-UHFFFAOYSA-N 367.367 5.145 0 40 FKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 72214879 LJKUOEHHRQLDFT-SFHVURJKSA-N 361.530 5.167 0 40 FKAB Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccnc3ccccc23)cc1 72380368 RFUBUHHBYMOAQG-QFIPXVFZSA-N 372.447 5.101 0 40 FKAB O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1CCCC[C@H]1C(F)(F)F 84374439 LWCHLSPIPBJEGL-KGLIPLIRSA-N 369.412 5.053 0 40 FKAB CCCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 85397234 YCPBIZWWRBBNFD-UXBLZVDNSA-N 365.256 5.539 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O[C@H]3C[C@H]4[C@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@H]21 95871135 VUDXCBLBKXFCNA-DSGZZYCSSA-N 374.565 5.378 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc(F)cc5)(C4)C2)C3)cc1 100564159 LYJFSIRHPSNREU-JSODFGIGSA-N 363.476 5.611 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@@H]1[C@@H]2CC[C@H]2CCCC[C@]21C 103208127 CJZNZDGODWVLOM-GABCFMIKSA-N 358.569 7.222 0 40 FKAB biogenic CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 216196282 KWFTXEIABBWUBK-QHCPKHFHSA-N 355.437 5.789 0 40 FKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2ccccc2)cc1 223445896 DTIOBYPOITTXES-UHFFFAOYSA-N 364.448 5.592 0 40 FKAB Cc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1Cl 224145085 FGFMTKHSBHJQNA-UHFFFAOYSA-N 373.924 5.074 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(ccc3ccccc32)o1 224870875 VMCBDCYFKNOWDI-UHFFFAOYSA-N 371.314 5.737 0 40 FKAB COC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225494178 NQBSKJRANXXBHO-UHFFFAOYSA-N 368.820 5.245 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(C)c1OC(C)C 225505141 BEAJFBWNPOKBQQ-UHFFFAOYSA-N 351.490 5.541 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCCCC2)c1 225539259 AQELFFSLADWSTA-UHFFFAOYSA-N 365.517 5.870 0 40 FKAB O=C(c1cc2ccccc2s1)N(CCc1cccs1)Cc1ccoc1 225623235 YMHRFYKJAGTVAQ-UHFFFAOYSA-N 367.495 5.441 0 40 FKAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c2ccccc12 225806855 CSYDZVCGVJPYIP-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB CCc1ccc(CC)c(CNC(=O)CC(c2ccccc2)c2ccccc2)c1 225849811 XIBPWXBJUMDUME-UHFFFAOYSA-N 371.524 5.650 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1 225852303 JZKIJXARAAXJGO-UHFFFAOYSA-N 373.415 5.172 0 40 FKAB C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)C1 226358003 STNOHSOGHQPZAB-KXBFYZLASA-N 362.425 5.196 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 408585195 CRCVRCPLHLFVKA-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2F)c1 409118588 OLFKOBUIGCZFEG-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CCCc1nc(CCc2ccccc2)c(C(=O)O)cc1-c1ccccc1F 585265087 GAAAOHNHSNUCEU-UHFFFAOYSA-N 363.432 5.324 0 40 FKAB Cc1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682405 IYQKJOVIDNEMSX-JTQLQIEISA-N 358.652 5.361 0 40 FKAB CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1cc3ccccc3cc1O2 841160 RFJOOKVTZSKSQH-HSZRJFAPSA-N 357.409 5.377 0 40 FKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1NCc1ccccc1 955749 VUKDDMKJRGHABK-UHFFFAOYSA-N 374.362 5.042 0 40 FKAB FC(F)(F)c1cnc(-c2cnc3c(-c4ccccc4)cnn3c2)c(Cl)c1 1391641 BLWRLKHHGAJZEY-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB COC(=O)[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1731825 IWDPYZNNLCDDAW-GGAORHGYSA-N 358.437 5.000 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 2231477 WVHROOLLDKUJFM-CQSZACIVSA-N 360.413 5.854 0 40 FKAB CC(C)Oc1ccc(-c2nc(Oc3ccccc3)c3ccccc3n2)cc1 2247268 WLSNHWJGIXPEQL-UHFFFAOYSA-N 356.425 5.876 0 40 FKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc4ccccc4c3)C(=O)O2)cc1 3115146 QQAFWVVCBKLFGZ-RCCKNPSSSA-N 355.437 5.482 0 40 FKAB Cc1ccc(C)c(Sc2ccc(NC(=O)/C=C/c3cccs3)cc2)c1 3309492 BFZBSKPXZKVHCD-VAWYXSNFSA-N 365.523 6.168 0 40 FKAB Cc1ccccc1-c1nsc(SCC(=O)c2ccc(Cl)cc2)n1 4167500 UJICMEUXGLKDTH-UHFFFAOYSA-N 360.891 5.142 0 40 FKAB Cc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc12 4553936 ZLJPJLRLTVVWEZ-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Clc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccccc3)c12 4970014 RKXKRHIYZHTZTR-UHFFFAOYSA-N 355.828 5.894 0 40 FKAB Oc1cc(OCc2ccc(F)cc2)ccc1-c1ncncc1-c1ccccc1 5423356 ZOFIZPNGDLBYHF-UHFFFAOYSA-N 372.399 5.234 0 40 FKAB biogenic O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)c1ccc2c3c(cccc13)CC2 5514364 KKJOLEXUXBCXBB-GCJKJVERSA-N 359.469 5.063 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 6300563 CLNVZXPBFSHMOX-UHFFFAOYSA-N 361.510 6.156 0 40 FKAB c1ccc(OCCSc2nc(-c3cccs3)nc3ccccc23)cc1 6561647 GEACTKOYGRWAFF-UHFFFAOYSA-N 364.495 5.529 0 40 FKAB CCOc1cc(CNCc2cccs2)ccc1OCc1cccs1 8254757 GHKBYXNYRWWQJC-UHFFFAOYSA-N 359.516 5.077 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(OCC(C)C)cc3)nc12 9141227 SPGZXICXYWSDBT-UHFFFAOYSA-N 354.475 5.200 0 40 FKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 40485495 ZCNVONDOWOODOT-QFIPXVFZSA-N 373.427 5.187 0 40 FKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(F)cc2)cc1 44087073 ZSJNWGDKBNEZGB-UHFFFAOYSA-N 352.478 6.022 0 40 FKAB COc1cc(C)c(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1C(C)C 57710032 USHYHAIOQKGJKY-UHFFFAOYSA-N 364.489 5.197 0 40 FKAB COc1ccc2cc(C(=O)c3ccc(C)c(Br)c3)ccc2c1 95917102 FFZUBMBWNRIGDC-UHFFFAOYSA-N 355.231 5.150 0 40 FKAB Cc1c(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)oc2ccccc12 96193985 XUJMBXJCXUXCKC-UHFFFAOYSA-N 372.409 5.321 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219587617 IPWZSKPFONJARL-UTKZUKDTSA-N 353.506 5.327 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C(C)C 223341921 NTDNBMBQROPZLO-ROUUACIJSA-N 369.505 5.080 0 40 FKAB O=C(NCCc1ccc(F)cc1)c1ccc(CSc2ccccc2)cc1 223393051 NXDOFSNCRUIFLX-UHFFFAOYSA-N 365.473 5.091 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167897 WXOLYPMTWBJOGC-UHFFFAOYSA-N 372.515 5.008 0 40 FKAB CCCOC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448068 SELAJQUHUHKXRV-UHFFFAOYSA-N 362.429 5.372 0 40 FKAB Fc1ccc(NC(=S)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225457148 SMSHMRQWCBNAIE-GOSISDBHSA-N 370.493 5.339 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(Cl)c2)c2ccccc2)cc1 225508457 PEODYXMRLKJMNH-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)c2ccccc12 225806921 UJOHLJQXGGCHIF-QGZVFWFLSA-N 369.505 5.695 0 40 FKAB Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O 253369295 ARYVICLZGFZHAR-GWHITLBSSA-N 368.565 5.207 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(C)cc2C)cc1 408579631 IVVJJWZZDZAVNY-UHFFFAOYSA-N 350.487 5.550 0 40 FKAB Cc1csc2nc(SCc3c(Cl)cccc3Cl)nc(O)c12 408597834 CHQUNUQKBHHOOK-UHFFFAOYSA-N 357.287 5.304 0 40 FKAB Oc1nc(-c2cccc3ccccc23)nc2sc3c(c12)CCCCCC3 408988076 GUKKAKAPNSHQDE-UHFFFAOYSA-N 360.482 5.876 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(-c2ccccc2)cc1 987065 BBGWLWBUBHDTPS-UHFFFAOYSA-N 363.486 5.505 0 40 FKAB Cc1ccccc1C(=O)c1cccc2cccc(C(=O)c3ccccc3C)c12 1654125 WFHPOUZAFFBDCI-UHFFFAOYSA-N 364.444 5.919 0 40 FKAB CC(C)N(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 1752614 CQQYRLWSUUUKCT-UHFFFAOYSA-N 362.823 5.934 0 40 FKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 2061831 HNBQDADZCGARCT-UHFFFAOYSA-N 358.441 5.465 0 40 FKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C 3254180 ZFFPVHIFRJCAEJ-HNNXBMFYSA-N 363.954 5.798 0 40 FKAB O=C(OCc1ccccc1F)c1ccccc1OCc1ccc(Cl)cc1 3314170 UONIZEIHDXGFOT-UHFFFAOYSA-N 370.807 5.415 0 40 FKAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(-c2ccccc2)cc1 4063457 CVHCXMJWRPRVRI-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB Cc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)no1 4248146 BBDMMXTVJGOPMX-UHFFFAOYSA-N 370.714 5.168 0 40 FKAB O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCCC1 4537931 PCXUKFJMKJCKEX-ASSVPYPDSA-N 372.512 5.219 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)cc1 5413564 ATXAJXKELNROEN-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 5682459 ZDKFBVNYULQTJA-UHFFFAOYSA-N 363.288 5.480 0 40 FKAB CC(C)c1ccc(C2=Nc3ccccc3C(c3ccc(F)cc3)=NN2)cc1 6190777 HFCCFOLSDGUQCI-UHFFFAOYSA-N 357.432 5.383 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 6396904 IZOVKHIJZGFEHN-UHFFFAOYSA-N 365.260 5.374 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 6563650 WEZNLBQEKWESKA-FJSFPOLCSA-N 372.637 6.999 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1OCc1nc2ccccc2s1 7738114 SLTOYFDPYLKLAT-UHFFFAOYSA-N 360.438 5.128 0 40 FKAB CCOc1ccc(-c2nc(Nc3ccc4c(c3)OCCO4)sc2C)cc1 12525018 SNIWUFJGVXXZNI-UHFFFAOYSA-N 368.458 5.032 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 12630295 JEFAQWROLRPOIV-DCXXXQMHSA-N 372.553 5.106 0 40 FKAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@@H]1CCCc2ccccc21 12923321 MIJJDYYETOIXKV-CTNGQTDRSA-N 365.473 5.213 0 40 FKAB Cc1cc(C)c(NC(=O)c2cccc(OCc3cscn3)c2)c(Cl)c1 12972340 IYJMQVCSHWXSFX-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccccc4)nc3c12 15842406 BWPWHTYGYCLOGD-UHFFFAOYSA-N 359.477 5.258 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1CCc2sccc2[C@@H]1C 25382541 VADWKCCIDANSHR-NSHDSACASA-N 360.529 5.001 0 40 FKAB COc1cccc(CNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 25638973 PMORIDGBPBCPSP-QFIPXVFZSA-N 356.469 5.098 0 40 FKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 27792507 CANZVTCDIOGCAD-IBGZPJMESA-N 367.537 5.123 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30850838 JFYFPUWIIZFVSL-NQIIRXRSSA-N 367.533 5.636 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C)cc3C)c2c1 46086041 CKXYCSOUKUQHBB-UHFFFAOYSA-N 351.446 5.789 0 40 FKAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3cccc(F)c3)co2)c(C)c1 48276878 RPIOGQVBLILOCW-NRFANRHFSA-N 350.437 5.435 0 40 FKAB O=C(Nc1cccc(Br)c1)Nc1ccc(Cl)cc1Cl 51354350 OYLRMUDPUOSFMO-UHFFFAOYSA-N 360.038 5.400 0 40 FKAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N(Cc1ccccc1)C(C)C 69457248 QXDYCPULZFBLFT-UHFFFAOYSA-N 367.493 5.032 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5cccc(C)c5)(C4)C2)C3)cc1 100846453 QDAJPLFGAHNWPN-SCAKWATOSA-N 359.513 5.780 0 40 FKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 214167574 PHCXVILDWHMGCY-JOEZZVDMSA-N 369.873 5.523 0 40 FKAB CN(Cc1ccc2oc(-c3ccccc3Cl)nc2c1)C1CCCCC1 216798777 POBYMFQKRULGPQ-UHFFFAOYSA-N 354.881 5.913 0 40 FKAB O=C(NCc1cccc2ccccc12)c1cc2c(ccc3ccccc32)o1 222852157 ZTGFVHMEUWHXLR-UHFFFAOYSA-N 351.405 5.669 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 223032979 XBWZBDHBVCBPAX-NHCUHLMSSA-N 373.924 5.690 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 224429610 BEYJGHYVTQEAMT-UXHICEINSA-N 369.505 5.045 0 40 FKAB O=C(NCCSCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 225219628 OSAMERJYXBSYDR-UHFFFAOYSA-N 355.290 5.048 0 40 FKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3F)oc12 226286313 KKOPKETZVXGATH-UHFFFAOYSA-N 358.372 5.103 0 40 FKAB Fc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 409203960 ACXKIYNPPFFFPL-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB Cc1ccc(NC(=O)Cc2[nH]c3ccccc3c2Sc2ccccc2)cc1 862329 GBROLDNPBKXBQP-UHFFFAOYSA-N 372.493 5.809 0 40 FKAB COc1ccc([C@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc1 948860 VNBAFHJYKHOBJM-FQEVSTJZSA-N 372.873 6.048 0 40 FKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 976813 OKJZOBIKTMLIQI-UHFFFAOYSA-N 365.454 5.012 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 983432 DITOIGVEWNGDRM-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1cccc(C(F)(F)F)c1 1001482 XQQIIACPVFUWBG-UHFFFAOYSA-N 373.161 5.020 0 40 FKAB Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1 1367677 WUIAYOAATLYBCP-UHFFFAOYSA-N 370.905 5.197 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3cccnc3Cl)cc2)cc1 1400389 NOOHIUVCTOOZQZ-UHFFFAOYSA-N 354.862 5.447 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)/C=C/c2ccccc2)c(C(C)C)c1 1725424 JDCBWDMWRVHKRK-OUKQBFOZSA-N 370.558 6.501 0 40 FKAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 1889640 YEKNZJVZJLAISG-UHFFFAOYSA-N 374.509 5.306 0 40 FKAB Clc1ccc(-c2nnc3sc(C4CCCCC4)nn23)c(Cl)c1 2265409 SXGRXAXQCLJQHL-UHFFFAOYSA-N 353.278 5.207 0 40 FKAB CCc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3c(C)c2oc1=O 2331386 UGJBZTMXPCIUTQ-UHFFFAOYSA-N 368.432 6.539 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 2517201 DYJKQMOIFIEVFF-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB FC(F)(F)c1cc(Cl)ncc1-c1nnc(-c2cccc(Cl)c2)o1 2557746 BBSOUFBBGLTYNA-UHFFFAOYSA-N 360.122 5.124 0 40 FKAB COc1ccccc1Nc1ccc(NC(=S)NC2CCCCC2)cc1 3313815 VQODOSVCLZZSGU-UHFFFAOYSA-N 355.507 5.058 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1ccc(Cl)cc1Cl 3320014 ZSVSVOUOGKIOJP-UHFFFAOYSA-N 371.263 5.946 0 40 FKAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1ccc2ncccc2c1 3999964 YMHSMJWKJFOGIK-CWSBKQHBSA-N 369.468 5.102 0 40 FKAB biogenic Cc1ccc(C(=O)Nc2cccn3c(-c4ccc(Cl)cc4)cnc23)cc1 4003047 CSUURNXMTNRORE-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB CC1=Nc2cc(C(=O)NCc3ccco3)ccc2Sc2ccc(C)cc21 4929988 RUCBLURAQJEHLA-UHFFFAOYSA-N 362.454 5.123 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1 5032925 QJSHLGFSODVIKB-UHFFFAOYSA-N 368.820 5.119 0 40 FKAB Cc1oc(-c2cccc(C(F)(F)F)c2)cc1-c1nnc(-c2ccco2)o1 5034197 YMIGDBGOIJFJJD-UHFFFAOYSA-N 360.291 5.584 0 40 FKAB CSc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 5222743 RXYOQSCEWBERFZ-UHFFFAOYSA-N 366.920 5.499 0 40 FKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@](O)(C(F)=C(F)F)[C@]3(C)CC[C@@H]21 5751011 AWUGBSODAQALNP-TYFMXVJSSA-N 366.423 5.360 0 40 FKAB O=C(COc1cccc(Oc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 6087268 QQVVVCURLVVBSI-UHFFFAOYSA-N 362.469 5.643 0 40 FKAB CC[C@@H]1CCc2c(sc3ncn4nc([C@H]5C[C@@H]5c5ccccc5)nc4c23)C1 6489448 HROCJKXDDUZIEW-XYPHTWIQSA-N 374.513 5.125 0 40 FKAB CCCCCCNCc1cccc(OC)c1OCc1ccccc1Cl 7261081 AEGGZWIQOLFPDQ-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB O=C(Cc1cccs1)Nc1ccccc1-c1nc2ccccc2s1 7987866 PPNGBQHJBDOSSO-UHFFFAOYSA-N 350.468 5.206 0 40 FKAB Cc1ccc(-c2nc(CN(C)Cc3cccc4ncccc34)c(C)o2)s1 12453718 LDKOLIUETXAWFM-UHFFFAOYSA-N 363.486 5.200 0 40 FKAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)Nc3ccccc3C)ccc21 13042016 MEHVUOBOUYFXNF-KRWDZBQOSA-N 371.484 5.562 0 40 FKAB Clc1ccc(CNc2cccc(OCc3ccccc3)c2)c(Cl)c1 19738464 KDRBQUXBQXZXJD-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CCOCCOc1cccc(NCCOc2cc(C)ccc2C(C)C)c1 19738526 VCXCAPVMZGNBIZ-UHFFFAOYSA-N 357.494 5.025 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 20453649 VMBAYMCLWUABRM-NHCUHLMSSA-N 353.506 5.364 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCCCC3)n2)s1 36613620 WGTMMIMTJZAHRF-UHFFFAOYSA-N 355.429 5.667 0 40 FKAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccccc2)nc1 48354616 XXTQQVYJCKMHSB-UHFFFAOYSA-N 365.408 5.067 0 40 FKAB C[C@@H](Nc1nc(C2CC2)nc2sc3c(c12)CCCC3)c1ccccn1 58157940 VQMUXGFZYDMIOB-GFCCVEGCSA-N 350.491 5.016 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccccc2)o1 70735431 ZQUTUPJXHVSVQV-UHFFFAOYSA-N 361.319 5.130 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1Oc1ccccc1 72212236 XGZBQSJDRSODLI-NRFANRHFSA-N 358.441 5.241 0 40 FKAB COc1ccc(O[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 80344463 KHNBIZBKJRECGW-HXUWFJFHSA-N 367.832 5.107 0 40 FKAB O=C(NCc1ccoc1)c1sc(-c2ccccc2)nc1-c1ccccc1 84559935 WYBSSBJAQSYFIJ-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1cccc(F)c1 85397552 RUUOIWLNXQMZKZ-UHFFFAOYSA-N 371.433 5.013 0 40 FKAB CC(C)(C)c1ccc(NC(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612244 RDCGJCMSUHGMSX-UHFFFAOYSA-N 368.502 5.873 0 40 FKAB Cc1cc(Br)ccc1C(=O)c1ccc(-c2ccccc2)cc1 95916043 JQFKBOANPYVUHT-UHFFFAOYSA-N 351.243 5.656 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)[C@H]1O[C@@H](O[C@@H]3C[C@@H]4[C@@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@H]21 100939469 VUDXCBLBKXFCNA-MUTHGQSESA-N 374.565 5.378 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912458 HIAJCGFYHIANNA-RQHRDYJESA-N 374.565 5.427 0 40 FKAB CC(C)c1ccccc1OCC(=O)Nc1ccc(OC2CCCC2)cc1 222810533 ZFAROOPXUAJLIA-UHFFFAOYSA-N 353.462 5.149 0 40 FKAB Cc1cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c(Cl)c1 223991166 NMQVXXACLDJJQF-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 224085507 HQDJGOGMEMCOHG-UHFFFAOYSA-N 361.441 5.089 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224925099 ZYLASYJZBPJFSS-IBGZPJMESA-N 374.937 5.450 0 40 FKAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C(F)(F)F 225831147 OSDBLCKBQWWOHA-FZKQIMNGSA-N 373.415 5.028 0 40 FKAB Cc1cccc(C2(NC(=S)Nc3ccc(C)c(Cl)c3)CCCC2)c1 225852479 WFYVCLZEKGJOGU-UHFFFAOYSA-N 358.938 5.713 0 40 FKAB Cc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)c(O)c(=O)c2c1 226759560 JEVVPPZIZLPOLC-UHFFFAOYSA-N 358.393 5.053 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 409117813 NHFPYVFYIWUUDE-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB NC[C@H](OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 888085248 UPHHLPHPPMXDGG-HNNXBMFYSA-N 365.087 5.517 0 40 FKAB Nc1cc(Br)ccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250187 CIBBSZVBKPMNEN-UHFFFAOYSA-N 368.099 5.121 0 40 FKAB Fc1cc(C(F)(F)F)cc(F)c1Oc1cccc(Br)c1 1504250446 NNYFYRNOCYWCJB-UHFFFAOYSA-N 353.084 5.538 0 40 FKAB Cc1ccc(-c2nnc(-n3cnc4cc(C)c(C)cc43)c3ccccc23)cc1 715702 PKFDTISEWBJNHC-UHFFFAOYSA-N 364.452 5.561 0 40 FKAB O=C(CCC1CCCCC1)Nc1nc(-c2ccc3ccccc3c2)cs1 996365 ODBCZZFSSZGNTQ-UHFFFAOYSA-N 364.514 6.262 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 1397231 ZUSZZCCHOYEYNZ-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc12 1516466 JVQBDJZYFRDJDW-UHFFFAOYSA-N 367.448 5.619 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2cccc(Cl)c2oc1=O 1616262 OGMVVDUUSOJPEV-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB COc1ccc(-c2c/c(=N/c3cccc(C)c3C)c3cc(C)ccc3o2)cc1 1805922 QCPPCESLRZCPIJ-RWEWTDSWSA-N 369.464 6.266 0 40 FKAB COc1nc2c(C)cccc2cc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 2344347 USXARAGFRMARNC-UHFFFAOYSA-N 373.456 5.566 0 40 FKAB CCc1ccc(-c2csc(NC(=O)Nc3ccccc3OC)n2)cc1 2640218 WDXDBGUHRABLNJ-UHFFFAOYSA-N 353.447 5.025 0 40 FKAB CC(C)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2750733 RFKOAMYJMLNUEQ-UHFFFAOYSA-N 373.283 5.594 0 40 FKAB CC[C@H]1CN=C(N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2C)S1 3228272 XAPIBGUXMJCHQH-KRWDZBQOSA-N 372.921 5.485 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026082 HIAJCGFYHIANNA-QXBFCPNMSA-N 374.565 5.427 0 40 FKAB biogenic Cc1ccc(OCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 4136447 BISWTLZVOHMIIC-DTQAZKPQSA-N 354.453 5.594 0 40 FKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccccc1F 4413870 FHJUEGMKFLUPAV-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 4784139 QCHOPJDOFMOEHH-UHFFFAOYSA-N 373.330 5.420 0 40 FKAB Cc1cccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1C 4970893 CQCHYBYCBQPFNS-UHFFFAOYSA-N 360.482 5.620 0 40 FKAB Cc1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1-c1ccc(F)cc1 6375829 MEUAVRBBRKXMSG-NYYWCZLTSA-N 356.397 5.049 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1Cl 6847054 XXKJDQYMQZDICI-UHFFFAOYSA-N 354.812 5.783 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)c1ccccc1SCc1ccccc1 7871183 HGYFXZKKYRQEKX-UHFFFAOYSA-N 355.547 5.924 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 8335565 OMCYGEMRTNBTBR-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CCc1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8714152 NEAZAMGOLAETDW-SBUREZEXSA-N 352.522 5.212 0 40 FKAB Cc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1 8854031 OLACZHCWCBTZHE-UHFFFAOYSA-N 372.490 5.064 0 40 FKAB COc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1 11916513 FYKCAZVZPVVMAV-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB Cc1ccc(OCc2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)cc1 12800045 FJZDZYYBQINDBN-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CSCc1nnc(SCC(=O)c2ccc(C(C)C)cc2C(C)C)o1 12907847 QYQSQNGTNDYPKI-UHFFFAOYSA-N 364.536 5.154 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 13409206 ZKGCEXPUCJDWMB-PNDVPBSBSA-N 374.565 5.715 0 40 FKAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1C 15838286 RVRGXLLDUZTSNH-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB COc1ccc(C(=O)N(C)[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 32593870 HFIHNFAZPHEXFI-QHCPKHFHSA-N 370.452 5.038 0 40 FKAB CC(C)C[C@H](NC(=O)c1occc1-c1ccccc1)c1nc2ccccc2[nH]1 49590329 ZLMWSLPCQVEIEA-FQEVSTJZSA-N 373.456 5.340 0 40 FKAB Cc1ccc(C(C)C)c(OCCNC(=O)Nc2ccc(C(C)(C)C)cc2)c1 59484689 UQUPORFQVGOYPH-UHFFFAOYSA-N 368.521 5.616 0 40 FKAB CC(C)Sc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72217476 MRNYDOMJDIHFQM-SFHVURJKSA-N 356.491 5.056 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccccc2F)c2ccccc21 101429140 UCUREKPTBSIAOJ-JOCHJYFZSA-N 359.425 6.076 0 40 FKAB CC(C)c1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccco4)C3=C(O)C2)cc1 102402301 YAKNFRYRCNIQPA-KKSFZXQISA-N 374.444 5.060 0 40 FKAB CCC(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@@H]1c1ccco1 102675070 CCPHXYNGLKRTDR-ZSEKCTLFSA-N 350.418 5.092 0 40 FKAB C=C/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118940223 SCZFJLZMTKPHEI-IYDLUTCDSA-N 354.534 5.993 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(C)c1 215943594 GWEMPGCEXUVECL-UYAOXDASSA-N 364.533 5.026 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222563326 NYVQGMFMRSIECM-HNNXBMFYSA-N 361.938 5.652 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc2ccccc12 222897940 ZMHGTXWIPPVPEI-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 223084100 MHIWUAHXGISSQN-QFIPXVFZSA-N 351.490 5.235 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 225094774 RGSVJWVKBFKPIJ-QGZVFWFLSA-N 361.485 5.048 0 40 FKAB Cc1cccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C 409121102 YGCXLFHEBFPILY-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB O=C(CCN1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 575442799 AXDYXLIGCFPHGL-UHFFFAOYSA-N 372.921 5.345 0 40 FKAB COC(=O)c1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cc1 845835 GYTBNRHYZCTSKA-UHFFFAOYSA-N 352.459 5.266 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 849430 GLGLHVDMKUQTCG-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 936394 PPOKZVPWBFXKNW-DHZHZOJOSA-N 359.853 5.098 0 40 FKAB CCOC(=O)c1nc(Cl)c(Cl)c(Nc2cccc(F)c2)c1Cl 1070367 VWINTZLVSWTFGE-UHFFFAOYSA-N 363.603 5.101 0 40 FKAB Fc1ccc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)cc1 1637821 SSSJMUFVTMLUET-UHFFFAOYSA-N 356.512 6.935 0 40 FKAB CCc1ccc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 1773440 BKDLSFCKAVKWBI-UHFFFAOYSA-N 373.496 5.314 0 40 FKAB COc1ccccc1[C@H]1Nc2ccc(Cl)cc2[C@H](c2ccccc2)O1 1821730 OJJXHSBRILDWOC-SFTDATJTSA-N 351.833 5.579 0 40 FKAB COc1cccc(-c2nc(N[C@H](C)c3ccccc3)c3ccccc3n2)c1O 2240243 ODBFUDADJUDDMB-OAHLLOKOSA-N 371.440 5.184 0 40 FKAB O=C(Nc1ccccc1)Nc1nc(-c2ccccc2Br)cs1 2256252 YWPBEVNCXRKFHF-UHFFFAOYSA-N 374.263 5.217 0 40 FKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(Cl)ncnc4c23)CO1 2292134 KKEXUXACBROCML-UHFFFAOYSA-N 371.849 5.004 0 40 FKAB COc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(=S)[nH]2)cc1OC 2689229 UOYHPYWIKAGYMX-UHFFFAOYSA-N 354.475 5.342 0 40 FKAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc(C(C)(C)C)cc3)cc2C1 3398156 OGDXCAZVJRQRDZ-CQSZACIVSA-N 370.514 5.210 0 40 FKAB CN(C)c1nc(Sc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 3469908 DEJIHFWSDPRAQX-UHFFFAOYSA-N 368.211 5.019 0 40 FKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3c(Cl)cccc3Cl)c2C1 3909364 SLFQTQINQKOUFO-SNVBAGLBSA-N 367.276 5.385 0 40 FKAB Cc1ccc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1 4318337 FRSWBIPUVISLPB-GIWBLDEGSA-N 367.920 5.750 0 40 FKAB O=C(CSc1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 4496767 HAILUQKBIDVLCF-UHFFFAOYSA-N 353.418 5.349 0 40 FKAB Cc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)cc1C 4678951 JVUYEOWANZQCKO-UHFFFAOYSA-N 359.395 5.335 0 40 FKAB Cc1ccc2[nH]c(C)c(CCNc3ncnc4c3oc3ccccc34)c2c1 4686434 LBOWTZFFGZSRSU-UHFFFAOYSA-N 356.429 5.129 0 40 FKAB CCOC1=C(c2ccccc2)Sc2ccc(C)cc2[C@H]1c1ccc(C)cc1 5734742 MAIHWDZDSQGRCH-HSZRJFAPSA-N 372.533 6.946 0 40 FKAB Cc1ccc(-c2csc(SCC(=O)Nc3ccccc3C)n2)cc1 5803402 KYFSQGPIMPKEES-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB CCCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 5824958 JDKXWGVDSVERQE-UHFFFAOYSA-N 371.484 5.612 0 40 FKAB biogenic C(=C1\CCCC[C@@H]2C1=NN(c1ccccc1)[C@H]2c1ccco1)\c1ccco1 5947340 DBTDHOIKTFMTBK-BJBAFQHMSA-N 358.441 6.064 0 40 FKAB Fc1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 6889198 KBRVSERNYYWAHU-UHFFFAOYSA-N 352.478 6.741 0 40 FKAB O=C(C1CCCCC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 7101975 OUAYKKPWFUIFHW-HXUWFJFHSA-N 366.892 5.250 0 40 FKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccccc1 8472047 NKSLEMOUGAGVEX-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB COc1ccc(-c2c(C)oc3cc(Nc4ccc(C)cc4)ccc3c2=O)cc1 11865079 DSQVNFLTNAHFLU-UHFFFAOYSA-N 371.436 5.829 0 40 FKAB biogenic CCCCCCOc1ccc(CNc2cccc(O[C@H](C)CC)c2)cc1 19737559 XKBFIJWPEFIZDD-LJQANCHMSA-N 355.522 6.435 0 40 FKAB CCSc1ccccc1NC(=O)CSCc1ccccc1Cl 20044305 GKAUJRJATLRAFK-UHFFFAOYSA-N 351.924 5.324 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1cccc(C(F)(F)F)c1 28210496 LFUJSWLDTOGKEL-UHFFFAOYSA-N 373.399 6.109 0 40 FKAB COc1ccc(C)cc1[C@@H](C)NC(=O)CSc1ccc2ccccc2c1 32748088 UYXRFRFNIVZNBQ-MRXNPFEDSA-N 365.498 5.126 0 40 FKAB Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3cc4c(cc32)OCCO4)cc1 40151910 CVFNHTVSRRJWIS-UHFFFAOYSA-N 370.452 5.140 0 40 FKAB CCCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 44848471 LZEJDKZWKWAJHE-NRFANRHFSA-N 355.478 5.001 0 40 FKAB C[C@H](NCc1ccc(N(C)c2ccccc2)cc1)c1ccc(F)cc1F 57963428 JWSPOWIWHKWFGY-INIZCTEOSA-N 352.428 5.584 0 40 FKAB CCN(c1ccc(C)cc1)c1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1 78582409 YWEYRBOGZRGCDE-UHFFFAOYSA-N 372.512 5.734 0 40 FKAB Cc1ccc(-c2ccc(OCc3ccc(C(=O)OC(C)C)cc3)cc2)cc1 82238055 OUIFDEXFCBKJTI-UHFFFAOYSA-N 360.453 5.806 0 40 FKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](C(C)C)C3=C(O)C2)cc1 102740813 JIOFYVQBPDJADQ-KDOFPFPSSA-N 352.434 5.207 0 40 FKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)n1 170569323 FLAZVCRDXQMMOJ-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 199407124 JCGGVPHAYANNFK-OAQYLSRUSA-N 358.828 5.571 0 40 FKAB c1ccc(C(c2ccccc2)c2nc3ccc(-n4cccc4)cc3o2)cc1 216742801 XJOFTBIXKILPOA-UHFFFAOYSA-N 350.421 5.799 0 40 FKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 222564629 DKKYNXLFCZPRQG-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 222946854 KXZDFMPRALSAPF-SFHVURJKSA-N 362.517 5.047 0 40 FKAB COc1ccc(C(=O)NCC(C)C)cc1CSc1ccc(Cl)cc1 224344652 WSHIMHCABYRRLJ-UHFFFAOYSA-N 363.910 5.027 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547219 WXHTWXJXUHECRA-UHFFFAOYSA-N 355.453 5.454 0 40 FKAB CCc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1 225603298 PPFCJWWPHSHBBI-UHFFFAOYSA-N 358.576 5.167 0 40 FKAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC(C)CC1 225721226 DJHRWWKDLLAVGX-UHFFFAOYSA-N 359.510 5.240 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1conc1-c1ccccc1 225872374 DJNRBJRSPDUTJP-UHFFFAOYSA-N 356.381 5.386 0 40 FKAB CC(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 1303173 XFEXQZSAZPHGCO-UHFFFAOYSA-N 369.424 5.356 0 40 FKAB CCCCCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1807765 WMPGKIKAITWABV-UHFFFAOYSA-N 374.868 5.721 0 40 FKAB CCO[C@H](c1ccccc1)n1c2ccc(Cl)cc2c2cc(Cl)ccc21 1874006 QNJGBGFYPJTAHF-OAQYLSRUSA-N 370.279 6.685 0 40 FKAB CCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 2079504 LQAIEJNYATWRIE-UHFFFAOYSA-N 353.849 5.821 0 40 FKAB Clc1ccc2[nH]c(SCc3ccc(Br)cc3)nc2c1 2198488 LYBHPPJUQREINY-UHFFFAOYSA-N 353.672 5.271 0 40 FKAB O=C(OCc1cc(Cl)cc(Cl)c1)c1cc(Cl)nc(Cl)c1 2555942 ZXFJPLVJGNNVJD-UHFFFAOYSA-N 351.016 5.052 0 40 FKAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cc(Cl)sc1Cl 2723749 ZICGKKYJVZXIOY-UHFFFAOYSA-N 365.213 5.195 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1Cl 3120612 SFIYUOFJQWFWKH-FGZHOGPDSA-N 364.828 5.242 0 40 FKAB COc1ccccc1Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 3257483 XGNYMOMMQWVHPL-UHFFFAOYSA-N 364.470 5.241 0 40 FKAB Cc1ccc(F)cc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 3372515 NOJKNEZBAJWPFL-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB CCCCSc1nnc(NC(=O)C2CCC(CCCC)CC2)s1 4079491 PORKCAWFAHXVED-UHFFFAOYSA-N 355.573 5.365 0 40 FKAB O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cccc(Cl)c1 4117748 AAQLJZYGMSAENP-UHFFFAOYSA-N 356.853 5.111 0 40 FKAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 5140341 UDERETUPSOSGOU-LADGPHEKSA-N 370.452 5.246 0 40 FKAB Cc1cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c(C)s1 5355620 YDZJFIYGCKUXOZ-UHFFFAOYSA-N 364.879 5.043 0 40 FKAB N=C1C2=C3Sc4ccccc4N3CCCC2=NN1c1ccc(Cl)cc1 5572429 PGROOULHQVJDMM-UHFFFAOYSA-N 366.877 5.111 0 40 FKAB CCCOc1ccc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)cc1 6263859 QGYNKASTQYVDOC-UHFFFAOYSA-N 374.868 5.120 0 40 FKAB O=C(Nc1nc2ccccc2[nH]1)[C@@H](Sc1ccccc1)c1ccccc1 6589752 KYTSSQSUZQXXJC-IBGZPJMESA-N 359.454 5.035 0 40 FKAB Cc1cccc(C2=N/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)O2)c1 6597094 FVRQBXVSVFZUEU-QNGOZBTKSA-N 355.393 5.132 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 8335573 OOAJNZABSHYKCC-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB C[C@@]12C=CC[C@H]1[C@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@H]1CC2 8615875 KHAIFVOAJPIDQL-FVEXOFTDSA-N 358.481 5.928 0 40 FKAB Cc1cccc(OCCCCn2c(-c3cccs3)nc3ccccc32)c1 12462857 GTESRPGWFRRQTF-UHFFFAOYSA-N 362.498 5.932 0 40 FKAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@@H]1c1ccncc1 12557783 ODGKTTZNQWDASH-QGZVFWFLSA-N 368.889 5.441 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl 12734880 WINVMXZCCJKZHJ-UHFFFAOYSA-N 364.832 5.218 0 40 FKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(Cl)c1Cl 12750729 BIAGPVBJMVBWKB-UHFFFAOYSA-N 369.298 5.360 0 40 FKAB C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc2ccccc12 12909361 NQEUDEVIGPCRLR-HZPDHXFCSA-N 358.441 5.264 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 13710180 WOXINRUGYKXILR-NRFANRHFSA-N 373.496 5.300 0 40 FKAB Cc1ccc(OCCS[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 15492233 URGMMDCYKHGCKC-OAHLLOKOSA-N 363.910 5.096 0 40 FKAB Cc1ccsc1-c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 19238730 WSBNVJNCDKIMMV-UHFFFAOYSA-N 373.909 5.140 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 22533202 PHFSTYNVGDGFSX-WZONZLPQSA-N 361.485 5.511 0 40 FKAB Cc1ccc(-c2nc(CSc3nccc(C(F)(F)F)n3)co2)c(C)c1 23008280 LIRUJCCMASBKDL-UHFFFAOYSA-N 365.380 5.060 0 40 FKAB Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)O)o2)cc1 32918823 VOAUOXIPDMDMND-UHFFFAOYSA-N 350.418 5.322 0 40 FKAB O=C(NCc1ccccc1)c1scc(-c2ccccc2)c1-n1cccc1 44166420 RWXDFFKHGJMDQD-UHFFFAOYSA-N 358.466 5.136 0 40 FKAB Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cccc2n1 57312933 YVGLYFXQDSKDNJ-NTCAYCPXSA-N 354.409 5.455 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351825 RKBFSPPTCGOXLR-UXHICEINSA-N 359.897 5.382 0 40 FKAB CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72214286 DHDIIMOOCWZTHQ-LJQANCHMSA-N 367.493 5.312 0 40 FKAB CCOc1cccc2cc([C@@H](C)N[C@@H](C)c3cn(C(C)(C)C)nc3C)oc12 97016448 SXBPMYYZBACFJY-GOEBONIOSA-N 369.509 5.503 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CC[C@@]43C)SCCS5)[C@@H]1CC[C@@H]2O 118919305 AZGUMZVYIIAYNT-RBZZARIASA-N 366.636 5.566 0 40 FKAB Cc1ccc([C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)c(C)c1 224483151 JWIBJARINFKUQQ-QHCPKHFHSA-N 363.888 5.405 0 40 FKAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Oc1cccc2ccccc12 225083585 MBPDBPDRGUSNOZ-QGZVFWFLSA-N 361.224 5.221 0 40 FKAB Nc1c(-c2cccc(Cl)c2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225177690 MZRKEHZRDDDCJD-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225624106 MONSYZKDXQTUOQ-HSZRJFAPSA-N 369.505 5.498 0 40 FKAB O=c1[nH]c(CCCc2ccsc2)nc2cc(-c3ccc(F)cc3)sc12 1775997439 IDDPQSAJPKRQJI-UHFFFAOYSA-N 370.474 5.028 0 40 FKAB O=C1c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1c1ccccc1 717299 UBABDSBGGPTTHU-IBGZPJMESA-N 368.358 5.477 0 40 FKAB Clc1ccc(-c2ccnc(Oc3cc(Cl)cc(Cl)c3)n2)cc1 1402085 NPXPTDSFIHIIAS-UHFFFAOYSA-N 351.620 5.896 0 40 FKAB O=c1c(Cc2c(-c3ccccc3)[nH]c3ccccc23)coc2ccccc12 1612526 NPQQZLFETDHOGE-UHFFFAOYSA-N 351.405 5.532 0 40 FKAB CCOP(=O)(OCC)C1=C(SCC)C(F)(F)C(F)(F)C1(F)F 1713093 FAHDOMPKBWHPNY-UHFFFAOYSA-N 372.267 5.137 0 40 FKAB CCCCC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 2739914 RAODYQZSHVTSQI-OAHLLOKOSA-N 352.503 5.662 0 40 FKAB Cc1cccc(Oc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)c1C 4091457 ZYXXNMXGVHGDGN-UHFFFAOYSA-N 369.420 6.009 0 40 FKAB Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 5378413 SIFVWGMZSSHVQW-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB CSc1ccccc1C(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 7158746 RFXHQNGWAKEGJX-AWEZNQCLSA-N 356.487 5.134 0 40 FKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)[nH]1 8559471 BIZNPLOUZDBIPW-CYBMUJFWSA-N 371.893 5.158 0 40 FKAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](C(F)(F)F)C1 10287669 AFJZJFZGFJMESK-LLVKDONJSA-N 357.759 5.015 0 40 FKAB Cc1ccc(C(=O)O)cc1Nc1ncnc2sc(-c3ccccc3)cc12 12600141 IDDZYNJJCZHYLS-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB O=C(O)C/C(=C/c1cccc(Br)c1)c1nc2ccccc2s1 12762268 OEACPANAEXMQHM-WQLSENKSSA-N 374.259 5.074 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2csc(-c3ccco3)n2)c1 12920883 FDUNGYYBFOPYON-AWEZNQCLSA-N 372.515 5.280 0 40 FKAB COc1cc(C)nc2ccc(Cc3ccc4nc(C)cc(OC)c4c3)cc12 13284890 IDOYKAABHCKXBZ-UHFFFAOYSA-N 358.441 5.008 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(N2CCCCC2)cc1 14396139 FWTVFMUOHGCKFZ-UHFFFAOYSA-N 370.496 5.196 0 40 FKAB Cc1nc(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cs1 28732708 WNXQGDNXVRHNAB-UHFFFAOYSA-N 358.850 5.078 0 40 FKAB COc1ccc(Br)cc1CNc1ccc(Cl)cc1Cl 37301387 NXFFGSHCPVDHAS-UHFFFAOYSA-N 361.066 5.377 0 40 FKAB Cc1ccc([C@@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 40485498 BCKVLRTUJFDINM-JOCHJYFZSA-N 373.427 5.187 0 40 FKAB COc1cc(CN(C)C(=O)Nc2ccc(C(C)C)cc2C(C)C)ccc1O 44247242 UFFIVXZJRSXWPX-UHFFFAOYSA-N 370.493 5.312 0 40 FKAB CCn1c(C)nnc1CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C 89300559 OVJAVMGRIABKHT-JOCHJYFZSA-N 354.542 5.141 0 40 FKAB F[C@H]1CCCCCCCCCC[C@]12NCC1(O2)C2CC3CC(C2)CC1C3 100645889 DKTLWAYPDODIDS-GXDNHNOWSA-N 363.561 5.750 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccccc2C(C)C)cc1 222811227 NYVPOQPCIMAIRH-OAQYLSRUSA-N 369.505 5.101 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=S)NC1CCCCCCC1 225193741 XFCVGGWOTDMPTH-UHFFFAOYSA-N 369.372 5.465 0 40 FKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1Cl 225532275 CWVGLMHJXOULDS-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ccccc12 225847074 RHAHOOSWWZLSNK-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 245227123 BCRCBMUYJMQKMF-IZZNHLLZSA-N 370.540 5.143 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 408629347 XYBYCIJZCDFVCG-KRWDZBQOSA-N 374.484 5.480 0 40 FKAB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(C(C)C)C1=O 409021527 LTSMBJLMZHMFCY-WOJGMQOQSA-N 355.459 5.072 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1nc2c(s1)CCCC2)c1ccccn1 1463041 JWTVYPLNOSVFRB-NRFANRHFSA-N 374.513 5.408 0 40 FKAB CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccccc1 1834699 QXLUBEZSLWAWEA-JOCHJYFZSA-N 353.506 5.264 0 40 FKAB O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc(Cl)c(Cl)c1 2740613 ANGFLFBCZGVZHV-FNORWQNLSA-N 358.627 5.116 0 40 FKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1 3060956 CEBFJPBOROCJKF-XMMPIXPASA-N 369.508 5.865 0 40 FKAB COc1ccc(CN(C(=O)c2ccccc2)[C@H](C)Cc2cccs2)cc1 3289064 WGFXIWRYHQVFCE-QGZVFWFLSA-N 365.498 5.030 0 40 FKAB CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3304512 LRVRJAQCUYCXSH-UHFFFAOYSA-N 361.923 5.167 0 40 FKAB CSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 4517511 OZRLWNZHSZVCBL-UHFFFAOYSA-N 360.438 5.469 0 40 FKAB Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 4532232 DIKKIVQSCNWMBR-OAQYLSRUSA-N 367.279 6.349 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1C2=C(CCCC2)C(=O)N1[C@H](C)c1ccccc1 4698669 JWNMZYLANVDJON-MZNJEOGPSA-N 370.496 5.991 0 40 FKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 4770892 IWNDSYPUEIWAAI-RBBKRZOGSA-N 360.844 5.582 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 5268368 BMSLYXCENWZVCQ-UHFFFAOYSA-N 362.429 5.284 0 40 FKAB O=C(Nc1ccc(Cl)cc1)n1ccnc1Cc1cccc2ccccc12 5387728 GBSODQISWRWNEK-UHFFFAOYSA-N 361.832 5.361 0 40 FKAB CCN(CC)C(=S)S[C@H]1CSc2sc(=S)sc2S1 5452958 VHQBTHLZILRAFF-LURJTMIESA-N 371.690 5.423 0 40 FKAB CCOc1cccc(CNCc2ccc(C)cc2)c1OCc1ccccc1 7539515 SBRUJKRNCOTOCK-UHFFFAOYSA-N 361.485 5.263 0 40 FKAB CCOc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1 8254615 QPDCTLUZZBAQAB-UHFFFAOYSA-N 353.506 5.477 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)c1 8598996 JMALPBGLIDWQMP-UHFFFAOYSA-N 371.415 5.239 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)on2)cc1 8915198 MWSZGNRVBKAPCC-MRXNPFEDSA-N 364.445 5.179 0 40 FKAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1 10253801 QGQRBBJJWSAQIR-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 10277721 RKXAHEMBCODWQV-JTQLQIEISA-N 374.720 5.907 0 40 FKAB O=C1C[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)c2sccc2N1 12428845 SDBLNTDDNRYBTD-KRWDZBQOSA-N 369.873 5.455 0 40 FKAB Cc1cccc(NC2=NC(=S)N(c3cccc(C)c3)C23CCCCC3)c1 12462713 ZSBLHVVXTHEBEB-UHFFFAOYSA-N 363.530 5.622 0 40 FKAB Cc1ccc([C@H](N[C@@H](C)C(=O)c2c[nH]c3ccccc23)c2cccs2)cc1 12751762 AZEJPUFFFZCHBC-AOMKIAJQSA-N 374.509 5.488 0 40 FKAB O=C(NCCCCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 13320424 VOJHDNXPCQUJJC-UHFFFAOYSA-N 370.802 5.503 0 40 FKAB CC(C)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 13820597 HSRLVCIINNGWAO-UHFFFAOYSA-N 360.526 5.886 0 40 FKAB C[C@@H](NCC(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 14250683 NDWUQIJNCQSOLB-CQSZACIVSA-N 372.390 5.148 0 40 FKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccnc1 14257984 GTXNJSWUEVKSMX-GQCTYLIASA-N 359.212 5.300 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)c1 14258054 RADHRWZLDRLZNU-SOFGYWHQSA-N 358.397 5.357 0 40 FKAB Cc1c(N)cccc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 19736339 BVEHSEQHORAUFI-UHFFFAOYSA-N 368.521 5.190 0 40 FKAB COc1ccc(-n2nc(-c3ccc(C)cc3)c3cnc4ccccc4c32)cc1 21017248 ZOUPKNKHWJZQKE-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(C(C)C)cc1 71326683 SWFNRJAMTKWQIX-UHFFFAOYSA-N 371.550 5.250 0 40 FKAB COc1c(Cl)cc(C(=O)N(Cc2ccco2)C2CCCC2)cc1Cl 95373500 OJMKQLPKMWJTHR-UHFFFAOYSA-N 368.260 5.180 0 40 FKAB CC1=C(C)[C@H](C)[C@@]2(C)N=NN(c3ccc(Br)cc3)[C@@]2(C)[C@H]1C 101043405 AEIGMGYOVQMLSX-ZZCKCESHSA-N 362.315 5.776 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102673777 PPQZZSSZGLDOCH-HXUWFJFHSA-N 354.400 5.836 0 40 FKAB CC(C)C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 215996852 DQPDOSSWEMUBPS-DEOSSOPVSA-N 373.496 5.783 0 40 FKAB C[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)CCCC2 222993480 FDRVPDWIFOEMBI-GOSISDBHSA-N 357.497 5.529 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223093312 WOCKZVGCBADTIW-OAQYLSRUSA-N 371.521 5.205 0 40 FKAB C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C(C)(C)C)cc1 225015660 RTFDFGHDRLJZHW-QGZVFWFLSA-N 365.517 5.119 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(Cl)cc1 225263533 APECPUCHXMNVKT-OAQYLSRUSA-N 371.908 5.035 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1 225342256 DMXFEKFNXLMOAF-UHFFFAOYSA-N 350.289 5.064 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225539217 DTVUTBAFPFXXTI-IBGZPJMESA-N 365.517 6.013 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(OC)c(OC)c1 225717827 VZAZATUUIGONRC-GOSISDBHSA-N 372.534 5.265 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(F)cc3F)CCCC2)c1 225857540 SDMNPVDRFOHAED-UHFFFAOYSA-N 374.500 5.505 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 225868809 UXTQPVIDKSTJDJ-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 409027313 HAEDAVOGFJIXPT-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB Fc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409194646 KWATVBMOHMTCBK-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682564 LKDOTNTWLACOHE-NSHDSACASA-N 372.679 5.670 0 40 FKAB CCC1=C(C)c2cc3nc(C(=O)OCc4ccccc4)c(C)c-3c(C)n2[C@H]1C 1103460 AGSOKVUCSAOFBU-INIZCTEOSA-N 374.484 5.720 0 40 FKAB COc1ccc(-c2cc(COc3ccc(Cl)c(Cl)c3)on2)cc1 1398158 HPVAOZZWXBXGJF-UHFFFAOYSA-N 350.201 5.236 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)OCN1CC=C(c1ccsc1)c1ccsc1 1590741 JAFWSMULEQCSON-KKSFZXQISA-N 367.539 5.661 0 40 FKAB CCC[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 2111880 IESPCFYHXLJIEM-FNZWTVRRSA-N 372.556 5.973 0 40 FKAB biogenic FC(F)(F)c1cccc(-c2noc(-c3cc(Cl)cnc3Cl)n2)c1 2564909 BTAIAPMJBKYDCK-UHFFFAOYSA-N 360.122 5.124 0 40 FKAB COc1cc(C)ccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc12 2663384 KWQLIHGVKUPRRA-UHFFFAOYSA-N 356.425 5.715 0 40 FKAB O=c1oc2ccccc2c(Sc2ccccc2)c1Sc1ccccc1 3110482 NWBKIWZTIULYMT-UHFFFAOYSA-N 362.475 6.095 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)oc1ccccc12 3135803 LLKNRSCCUXOCSA-UHFFFAOYSA-N 351.789 5.500 0 40 FKAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2 3315041 SRPKOUDQSSJALF-LJQANCHMSA-N 369.508 5.575 0 40 FKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Cl)cc3)c2C1 3316434 BUOPEOJIRZXMAF-CQSZACIVSA-N 365.860 5.370 0 40 FKAB CCCCC(=O)O[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 3830782 RSEPBGGWRJCQGY-XANJAXJYSA-N 356.506 5.350 0 40 FKAB CCCC[C@H]1C=C[C@@H](/C=C/CCCCCCCC(=O)O)[C@@H](C(=O)O)C1 4409251 YFZILRWZQWRQFP-GXGBOIOWSA-N 350.499 5.441 0 40 FKAB c1ccc(OCCSc2nc3ccccc3n2C2CCCCC2)cc1 4618944 PIIATASNASODGL-UHFFFAOYSA-N 352.503 5.713 0 40 FKAB Cc1ccc(OCCn2cc(C(=O)c3ccccc3F)c3ccccc32)cc1 4704957 UUVQSHGWPLPXNX-UHFFFAOYSA-N 373.427 5.399 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccco2)N3)C1 6396212 APMNTGVKHXITMK-QWYCDTIGSA-N 370.518 5.652 0 40 FKAB Cc1ccc(-c2csc(/C=C/c3cccc(Oc4ccccc4)c3)n2)cc1 6438705 HTZDNFDNGPUSMJ-NTCAYCPXSA-N 369.489 7.081 0 40 FKAB FC(F)Oc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 7124684 BXGZMFLOMADGAW-IBGZPJMESA-N 363.367 5.277 0 40 FKAB CCCCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 7261278 SUJYQEXTEWQXHG-UHFFFAOYSA-N 365.876 5.347 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1sc(-c2ccsc2)nc1C 7402507 BVYBVMANPGVNKQ-UHFFFAOYSA-N 364.879 5.094 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 7511304 XHJSPJBKWJIZCE-UHFFFAOYSA-N 363.482 5.908 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc(F)cc2)cs1 7642029 YQZBSNYBUKAQGS-UHFFFAOYSA-N 365.433 5.002 0 40 FKAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2-c2nc3ccccc3[nH]2)c1 8656896 FDTAOEADGGRHAC-VHXPQNKSSA-N 367.408 5.223 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 10039411 IOPAFPGSDKIDRX-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB COc1ccc(SCCCC(=O)Nc2cccc(Cl)c2Cl)cc1 10218038 SWNRGBDQOOVONE-UHFFFAOYSA-N 370.301 5.513 0 40 FKAB Cc1ccc(-c2noc(CSc3ccc4ccccc4n3)n2)cc1F 12548826 FAJDEQCOPJJQMG-UHFFFAOYSA-N 351.406 5.025 0 40 FKAB CCCCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 14257901 QAAQWOWUIZLQHN-UHFFFAOYSA-N 363.244 5.930 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14401145 RZBVGJPWOBSYRO-KRWDZBQOSA-N 353.506 5.822 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c(OC)c1 14818429 RWYMGOAKHGFDDZ-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1 17072664 DIAWNXZXJZWALA-UHFFFAOYSA-N 350.343 5.624 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(OCCSc2ccccc2)cc1 22509885 BOMSGAOCVBOATF-UHFFFAOYSA-N 367.445 5.249 0 40 FKAB Cc1ccc(C(=O)N(C)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27793467 WDRGWJZZRJREHX-DEOSSOPVSA-N 368.480 5.646 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 32691933 WQNCIAHHIJLKFC-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 48325142 PUVWBKLHNNWIIU-CQSZACIVSA-N 370.424 5.092 0 40 FKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(Cc2ccccc2)c2ccccc21 49021281 UNRZIQVDVVUGOC-CLOONOSVSA-N 370.496 5.580 0 40 FKAB Cc1noc(C)c1CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1 95373561 RJVHVMIZMAKBQC-UHFFFAOYSA-N 368.521 5.107 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1C 107039440 GXEGMIKGTUDVOM-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCC=C[C@]4(C)[C@H]3CC[C@@]21C 118922848 MRKRQGONFROXPO-WKDDSVOISA-N 370.665 8.274 0 40 FKAB Cc1ccc2ccccc2c1[C@@H](O)c1cc(Br)ccc1Cl 160998027 QOPKLALPDXGJHS-SFHVURJKSA-N 361.666 5.646 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1C 219299568 RZGYDZLMYRYXMV-WIYYLYMNSA-N 353.506 5.462 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223086334 LZAAVXPDZVKMAT-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(F)cc2)cc1C(C)C 223380207 OPOWGZVBAGKNIY-INIZCTEOSA-N 357.469 5.076 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C 223503264 HBHKFGSEKGZVGN-OAHLLOKOSA-N 364.316 5.729 0 40 FKAB CCc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 225698597 XXXWAJNTIZVEHS-QFIPXVFZSA-N 360.526 5.633 0 40 FKAB O=C(c1ccc(Br)cc1)c1ccc2c(c1)oc1ccccc12 226296713 CUNBFTZMOWWBIX-UHFFFAOYSA-N 351.199 5.580 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 408565317 JQSYKUIUUHNNPQ-MRXNPFEDSA-N 371.502 5.071 0 40 FKAB S=C(NCc1ccccc1)Nc1ccc(Oc2cccc(Cl)c2)cc1 408587977 VKSUONZYAQDNJT-UHFFFAOYSA-N 368.889 5.619 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 408629064 KQLXQVJJELIXFC-GOSISDBHSA-N 366.505 5.497 0 40 FKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(Cl)cc1 409110956 ZUURTPYESIOQFD-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 409176176 JMLNDVRUSDZZFL-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC(C)[C@@H]1C[C@@](CCNCc2ccco2)(c2ccccc2)C[C@H](C(C)C)O1 524734704 FGZGVDGPFLBUDF-UBRQYEGLSA-N 369.549 5.557 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 1045477 OLCTWHDDTLNSNS-UHFFFAOYSA-N 364.314 5.533 0 40 FKAB Cc1nc(Oc2ccc3ccccc3c2)c2c3c(sc2n1)C[C@@H](C)CC3 1465797 IGRODHRCACZHHS-ZDUSSCGKSA-N 360.482 6.070 0 40 FKAB CCCC[C@](O)(Cc1ccccc1)c1ccc(OCCN(CC)CC)cc1 1691529 OAVGLAGXOWRQPK-DEOSSOPVSA-N 369.549 5.028 0 40 FKAB CCCCCc1ccc(-c2nnc(-c3ccc(OCCCC)cc3)o2)cc1 2053236 IPMLSWKVRMWLGE-UHFFFAOYSA-N 364.489 6.315 0 40 FKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SC(C)C)c23)CO1 2240241 GRKLHVUHMRCGNN-MRXNPFEDSA-N 354.566 5.155 0 40 FKAB COc1ccc(-c2nc3ccccc3s2)cc1COc1ccccc1F 2297831 HLXNXJDUSGVFIW-UHFFFAOYSA-N 365.429 5.690 0 40 FKAB O=C(c1ccccc1)c1ccccc1NC(=O)c1csc2c1CCCC2 2708110 FPKJVVPSUHUQLY-UHFFFAOYSA-N 361.466 5.110 0 40 FKAB O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1c(F)cccc1F 2713963 NEFHQMFFWJRTPC-UHFFFAOYSA-N 359.184 5.134 0 40 FKAB CC(C)CC(=O)N[C@H](Oc1ccc2ccccc2c1)C(Cl)(Cl)Cl 3185512 XCTCSZNFKUZNAQ-MRXNPFEDSA-N 374.695 5.077 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cc2ccccc2)cc1 4075749 LYERAJORAMYXJZ-UHFFFAOYSA-N 356.252 5.837 0 40 FKAB O=C(Nc1ncc(-c2ccccc2)s1)c1sc2ccccc2c1Cl 4076444 COAMRTKVOCZBBX-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB C(=C/c1nc2ccccc2n1CCCCOc1ccccc1)\c1ccccc1 4171593 YIFWLMUNZRCKQZ-ISLYRVAYSA-N 368.480 6.066 0 40 FKAB CCCCCC[C@@H](C)OC(=O)CCCCC(=O)O[C@H](C)CCCCCC 4409876 RTUMJAGKSDIHOW-WOJBJXKFSA-N 370.574 6.351 0 40 FKAB O=Nc1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12 4725901 AYRFZKAPNBFRKE-UHFFFAOYSA-N 352.397 5.402 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)ccc1Cl 4838625 WXECRUGMDRLDDJ-UHFFFAOYSA-N 369.462 6.206 0 40 FKAB C/C(=C\C(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 5411724 LZWKVWAJBKAEKD-SAPNQHFASA-N 352.437 5.947 0 40 FKAB FC(F)Oc1ccccc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1 5836172 AZVZOPCEZQFCEV-ACCUITESSA-N 363.363 6.267 0 40 FKAB CCC(=O)c1ccc(OC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 5950839 QKDSASUMMPJZQN-UHFFFAOYSA-N 369.804 5.115 0 40 FKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 6478730 ONZDRPDIPPFUCZ-XDHOZWIPSA-N 351.471 5.355 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc2ccccc2o1 6496500 ZCVBGDWCXRUYPM-UHFFFAOYSA-N 363.225 5.602 0 40 FKAB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1cccc(F)c1 8131374 XWODCHXUKQTRLZ-UHFFFAOYSA-N 363.417 5.106 0 40 FKAB Clc1ccc(-c2nnc(CSc3ccc4ccccc4n3)o2)cc1 8707166 ONTNOECRVKEKRI-UHFFFAOYSA-N 353.834 5.231 0 40 FKAB FC(F)(F)c1cc(-c2ccccn2)nc2c(-c3cccc(Cl)c3)cnn12 9592537 WFTVZDAQEYNVFX-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)C(c1ccccc1)c1ccccc1 12814383 FUDCQDKNPWJGJG-ROUUACIJSA-N 361.407 5.056 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(F)(F)F 12947623 JMMGVFUDTHCHSH-CYBMUJFWSA-N 359.347 5.265 0 40 FKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)Nc1cccs1 13537982 PJALQNSOMPDHCX-UHFFFAOYSA-N 352.444 5.064 0 40 FKAB CCCOc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c2cccnc12 15840947 XTXVBQORAXQFQQ-UHFFFAOYSA-N 364.445 5.063 0 40 FKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=O)CC(C)(C)C2 16740289 YRQVVSDWCRZKOF-UHFFFAOYSA-N 365.351 5.014 0 40 FKAB Cc1ccccc1-c1n[nH]c(SCc2c(Cl)cccc2Cl)n1 20195657 LSEFKKNIOCRMBD-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB C[C@H]1CC(=O)c2c(Nc3ccc4ccccc4c3)nn(-c3ccccc3)c2C1 20672030 INWWIJKUMGZHFS-MRXNPFEDSA-N 367.452 5.534 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 22526445 UKTQMOXVMAECLD-KRWDZBQOSA-N 365.951 5.119 0 40 FKAB Cc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccccc1 23125451 SNOSHIYCBZVMCL-UHFFFAOYSA-N 352.850 5.020 0 40 FKAB C1=C(Cc2ccccc2)C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2CC1 51330410 LAXXUBCCEQBHTD-AOYPEHQESA-N 364.492 6.183 0 40 FKAB CCCCCn1c(SCc2cccc(C)c2)nc2ccccc2c1=O 67258989 SDWBHFMTZASPTN-UHFFFAOYSA-N 352.503 5.187 0 40 FKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C)cc1C 218979519 UKFICSWAGMTUKI-XMMPIXPASA-N 373.496 5.764 0 40 FKAB Cc1cccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 218990070 VMNCKCYOKJXEJH-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C)c(C)c2)cc1 225496960 SARDKQKWLDYDEP-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1OC 225677657 HDZYEGLRRMVIGG-ACJLOTCBSA-N 363.910 5.097 0 40 FKAB Cc1ccc(C2(NC(=S)Nc3cccc(OC(C)C)c3)CCCC2)cc1 225867565 MXRVVXMCRVYZJK-UHFFFAOYSA-N 368.546 5.538 0 40 FKAB COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2C(=O)OC(C)(C)C)cc1 725385011 XWDOIPATDMHITG-HXUWFJFHSA-N 357.494 5.118 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)cc1 639406 YWBJQDIGSUKYRP-UHFFFAOYSA-N 365.816 5.120 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)cc1OCC 936322 FNWWDVWQSYFUBG-RIYZIHGNSA-N 353.462 5.259 0 40 FKAB O=S1(=O)CC[C@@H](Sc2cc(Cl)ccc2Cl)c2ccsc21 1398515 VXOUSHNKVNMKFR-LLVKDONJSA-N 365.328 5.066 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)Oc1ccc(F)cc1Cl 1753002 GGIDQNSCLLMKDT-UHFFFAOYSA-N 368.113 5.762 0 40 FKAB Cc1cccc(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)c1 3084856 OWKRULNUURTVER-HSZRJFAPSA-N 355.481 5.557 0 40 FKAB Cc1cccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)c1 3655907 JBGUNRYBHKZEGL-UHFFFAOYSA-N 374.484 5.351 0 40 FKAB CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658645 KPZUIXJPVZPFRB-UHFFFAOYSA-N 363.461 5.729 0 40 FKAB COc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1 3659034 TUOBUAYOCFGJNN-UHFFFAOYSA-N 361.264 5.325 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 4151475 OFLWCQNVMZPNAV-HFQQBTNDSA-N 361.485 5.805 0 40 FKAB C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4743905 SIECXYXJFIDLDH-JNFBOQJPSA-N 352.562 6.203 0 40 FKAB biogenic,in-vitro CC1CCN(Cn2nc(-c3ccccc3)n(C3CCCCC3)c2=S)CC1 6658576 KTDYVQIWWGJNCS-UHFFFAOYSA-N 370.566 5.276 0 40 FKAB CCN(C(=O)CCc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 6826534 WORRVOWIYLLVBT-UHFFFAOYSA-N 350.487 5.104 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1C 7521531 VBLCWZHQDMPUPX-UHFFFAOYSA-N 369.549 5.887 0 40 FKAB CC(C)(C)c1cc(C(F)(F)F)n2ncc(-c3cccc(Cl)c3)c2n1 13844711 CNZIOJYIKSOJSR-UHFFFAOYSA-N 353.775 5.366 0 40 FKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccc2c1CCCC2 15355810 SUTHLBZFJWOAPQ-UHFFFAOYSA-N 366.461 5.009 0 40 FKAB Clc1cccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 16493584 GMGMLQBYIBYLRC-LJQANCHMSA-N 361.832 5.592 0 40 FKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(F)cc3)n2)cc1 17076577 KVFPPXMAAHYHED-UHFFFAOYSA-N 374.415 5.363 0 40 FKAB CCC(CC)c1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 32502359 XJOAGFBRUFLHKB-UHFFFAOYSA-N 359.426 5.093 0 40 FKAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1 38566833 VBTYJYLMPQWVGT-ZDUSSCGKSA-N 365.260 5.023 0 40 FKAB CC(C)C[C@@H](C)N(C(=O)c1ccnc(Cl)c1)c1ccc2[nH]ccc2c1 60346966 ARBDNPPMMYVYJG-CQSZACIVSA-N 355.869 5.298 0 40 FKAB COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1 68603160 LKDQPERBLOIJCM-UHFFFAOYSA-N 367.408 5.356 0 40 FKAB biogenic CCOc1ccc(OCC)c(NC(=S)Nc2cccc(C(C)C)c2)c1 71760686 DCKVLVSOVUYSDV-UHFFFAOYSA-N 358.507 5.416 0 40 FKAB CC[C@@H](C)Sc1ccc(NC(=O)c2ocnc2C)c(C(F)(F)F)c1 72311023 AXTWPJUJDYPWQI-SECBINFHSA-N 358.385 5.145 0 40 FKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(Cl)c(Cl)cn1 97164568 DXKMQBHSOIASAS-UHFFFAOYSA-N 364.685 5.157 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H]1C[C@H]3C=C[C@H]1C3)c2-c1ccccc1 103637868 GQINAOLOPRBWQT-GZSKETOLSA-N 374.528 6.039 0 40 FKAB CCn1c(Cl)nc2cc(C(=O)N(Cc3ccccc3)CC(C)C)ccc21 222565334 CQDSEYBMGBYXDO-UHFFFAOYSA-N 369.896 5.008 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224939935 ZEEMNUHAWCACDJ-HNNXBMFYSA-N 374.937 5.450 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)c1 225697620 VAHIWFQUJUGUIX-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CCCCc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225771742 NSYHFGBPRFOJDH-UHFFFAOYSA-N 371.893 5.453 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 225801280 ZLLAFDSEQSYFSP-LJQANCHMSA-N 361.844 5.154 0 40 FKAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c2ccccc12 225844117 LAANAFAFNUMSCT-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c2cccnc12 225906309 MGVYXGGFUBVDDA-JOCHJYFZSA-N 372.509 5.338 0 40 FKAB Cc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc12 226034926 FPTCZRBNXOJHFZ-UHFFFAOYSA-N 371.392 5.146 0 40 FKAB CC(C)COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408989704 LLVRXGOXDBQQQV-UHFFFAOYSA-N 368.502 5.368 0 40 FKAB CCCOc1ccc(CNc2ccc(OCC)cc2)cc1Br 409121196 SWDZFTQVZSWFFK-UHFFFAOYSA-N 364.283 5.249 0 40 FKAB CN(C)c1ccc(N2c3ccccc3Sc3ccc(Cl)cc32)cc1 1857794375 SSSRJJPUQKBKFK-UHFFFAOYSA-N 352.890 6.340 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1sc2cc(Cl)ccc2c1Cl 853537 QGFWPBDYVUNARR-UHFFFAOYSA-N 356.661 6.114 0 40 FKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 904182 JQFGDWFNPYVXPA-UHFFFAOYSA-N 355.869 5.408 0 40 FKAB CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N\c1ccccc1 1014072 OOZYHIDNZNLPLQ-IECUCWQJSA-N 366.486 5.018 0 40 FKAB O=C(c1ccccc1SCc1ccccc1)N1CCCc2ccccc21 1084522 GSRCZVCDOOFTKL-UHFFFAOYSA-N 359.494 5.572 0 40 FKAB CCc1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3 1801788 MPADXMZWCLFIJY-UHFFFAOYSA-N 361.873 5.669 0 40 FKAB COc1ccc([C@H](Sc2ccccc2)[C@@H]2CCc3ccccc3C2=O)cc1 2106389 YSYQPWBORRSKGM-VWNXMTODSA-N 374.505 5.974 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(C(F)(F)F)cc1Cl 3170871 CTCQJTNDGOJLFK-ZZXKWVIFSA-N 361.150 5.059 0 40 FKAB C(=C1\CCC[C@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1)\c1ccccc1 3905126 ZOJBDGHYJINECO-WZLFYSJBSA-N 364.492 6.488 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1 4134640 ISPBYBAFFLOUIQ-UHFFFAOYSA-N 372.449 5.003 0 40 FKAB OC(c1ccccc1)(c1ccccc1)c1ccccc1CNc1ccccc1 4826287 LCMFVRMORNJXJW-UHFFFAOYSA-N 365.476 5.583 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4838545 JEXSXSRVNGCATP-UHFFFAOYSA-N 359.425 6.017 0 40 FKAB Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccccc3)c(O)c2)cc1 5451006 CEUWOCBNUCAIOL-UHFFFAOYSA-N 371.436 5.910 0 40 FKAB biogenic COc1cc2c(cc1NC(=O)[C@@H](C)Nc1ccccc1)oc1ccccc12 5934383 BHMZVOGZDCEQOX-CQSZACIVSA-N 360.413 5.034 0 40 FKAB O=C1c2ccccc2S[C@@H](c2ccc(Cl)cc2)N1Nc1ccccc1 5947411 RUYJOOBLIORUOD-FQEVSTJZSA-N 366.873 5.614 0 40 FKAB CC1(C)CC(/C=C/c2ccc(-c3ccccc3)cc2)=Nc2ccccc2S1 6308203 RNMQJKCQHONAQI-SAPNQHFASA-N 369.533 7.414 0 40 FKAB CC(C)/N=C1\S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1C(C)C 6324949 RQUYHGJYCUPXJM-BXDAJEDYSA-N 357.306 5.083 0 40 FKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 6426705 GMTOFYKNBDDTBI-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1OCc1ccccc1 6647880 ZCEBMKNTNXOSGR-UHFFFAOYSA-N 372.468 5.118 0 40 FKAB Fc1cccc(COc2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2)c1 6667996 UZWAADHMSNOLOO-NTEUORMPSA-N 372.399 5.625 0 40 FKAB CC(C)(C)CC(C)(C)NCc1cccc(OCc2ccccc2Cl)c1 6857421 RSJSYICWEIGPNP-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB Cc1ccc2nc(NC(=O)c3sc(-c4ccccc4)nc3C)sc2c1 7996118 MZSSAHDJXNWREM-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCc3ccccc3)cc2)c1 8471510 CGBOTZXTCSFVEP-UHFFFAOYSA-N 373.496 6.482 0 40 FKAB C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1F 12879035 HVYXWUXWGZGEKC-KBPBESRZSA-N 370.855 5.310 0 40 FKAB CC[C@H](NCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(OC)cc1 12930624 IKGGVCWWJOAQFL-QFIPXVFZSA-N 374.484 5.042 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 14707105 SMLLRAOTMLFTCB-IBGZPJMESA-N 373.496 5.485 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3Cl)cc2c1 25765760 CYSWQQQSOVGSAQ-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB Clc1ccc(Oc2ccc(Br)c(Br)c2)cc1 26508294 NOZZTTWTRBTMSU-UHFFFAOYSA-N 362.448 5.657 0 40 FKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Cl 27746992 YEHGHCXFJMVDTB-LJQANCHMSA-N 374.871 5.383 0 40 FKAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N(Cc1ccco1)C1CC1 29009705 VLBVCCVVLZQRMY-UHFFFAOYSA-N 368.436 5.300 0 40 FKAB C1#Cc2ccc(o2)C=Cc2ccc(o2)C#Cc2ccc(o2)C=Cc2ccc1o2 33368649 MSCPURIWFFEGPL-UHFFFAOYSA-N 364.356 5.512 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2cccc(F)c2)no1 40088046 HSGQLHQLORJYRM-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1cccc(C)c1 40556529 MQEXBMVCWDKTJU-UHFFFAOYSA-N 367.836 5.048 0 40 FKAB C[C@H](N[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 58160694 MPAUIXLAVDZIEW-WDEREUQCSA-N 371.695 5.325 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 59210340 AWLXPUCIVDBRPT-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB CC(C)OCc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 60091940 IXHNTLXCVHFGHM-UHFFFAOYSA-N 352.261 5.100 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217637 IWMBIOAQDQRXJL-OAQYLSRUSA-N 374.509 5.600 0 40 FKAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1Sc1ccccc1 72217668 QJZFBTLSWLZXFG-HXUWFJFHSA-N 360.482 5.210 0 40 FKAB Cc1cc(C)c2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 85345311 OBVHHUOJURIXHQ-UHFFFAOYSA-N 367.246 5.869 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219378928 XRAAVCKTVMFJOK-NHCUHLMSSA-N 353.506 5.345 0 40 FKAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 222726309 SXYJQDPFKDVNKY-LLVKDONJSA-N 372.292 5.243 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 225374319 XWSAFNRKOFEZBJ-SFHVURJKSA-N 366.288 5.202 0 40 FKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc(Cl)c3)oc12 226286367 RUDFYUQEZYAFAS-UHFFFAOYSA-N 374.827 5.617 0 40 FKAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 226333561 MSLRJSCPYNQFKI-HKRPGZNJSA-N 353.849 5.335 0 40 FKAB Nc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1Cl 226764671 OLQNLLDCWFJPAW-UHFFFAOYSA-N 365.191 5.227 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 243758570 QAKROSFEVVJWBZ-UHFFFAOYSA-N 371.786 5.465 0 40 FKAB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)o1 253528867 ZMDCSLTVAOWENP-FYWHUOGFSA-N 368.561 6.375 0 40 FKAB biogenic CC(C)(C)c1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](c3ccccc3)O[C@H]21 257294209 QTAZHVOWOUGIME-TUNNFDKTSA-N 350.502 6.364 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(OCC)cc1 408831761 HHCJRNXRIJZCLV-UHFFFAOYSA-N 366.486 5.414 0 40 FKAB CN(C)Cc1ccccc1N[C@@H]1c2ccccc2CSc2ccccc21 702117 MSXPUBMISLGRCR-HSZRJFAPSA-N 360.526 5.555 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 949882 LFWAGUNCJQLWGH-UHFFFAOYSA-N 374.223 5.708 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(C)cc3)c3cc(O)ccc3o2)cc1 1251302 MUBKVHNDBCTTTD-DARPEHSRSA-N 357.409 5.355 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(C)c1 1311444 ZYYBLNRDUIAGHE-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB COc1ccccc1C1=C(CN(C)C)[C@H](c2ccccc2)c2ccccc2O1 1405934 MKFBZZSGRVHBMK-XMMPIXPASA-N 371.480 5.192 0 40 FKAB Cc1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1Cl 3354629 YPGSMINMQYRNJK-UHFFFAOYSA-N 367.905 5.688 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 3642791 QPWGWAWHVBVFIN-QHCPKHFHSA-N 372.468 5.611 0 40 FKAB Cc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c(C)c1 3912913 FLNSJFVZAVLKPF-FYWRMAATSA-N 352.437 5.173 0 40 FKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4141326 MOWXARNTFQIZBD-UPVQGACJSA-N 370.452 5.328 0 40 FKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc2ccccc12 4505963 SYXUQAMNMKGPOW-UHFFFAOYSA-N 373.839 6.538 0 40 FKAB CCCCCCc1cc(-c2n[nH]cc2-c2ccccc2)c(O)cc1OC 4721612 DQHKEAAZVUMCIL-UHFFFAOYSA-N 350.462 5.581 0 40 FKAB CCCCC1=N[C@@H]2Sc3c(NCC(C)C)ncnc3[C@@H]2C2=C1CCC2 6309900 SUEYEKHOZVQLKN-OXJNMPFZSA-N 356.539 5.185 0 40 FKAB COc1cccc2c1ncc1c(-c3ccc(C)cc3)nn(-c3ccccc3)c12 8024034 WAMKYMZWXDRWIT-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-c2ccccc2)cc1 8160164 ACKFIGPEJXNEGT-QHCPKHFHSA-N 373.452 5.164 0 40 FKAB CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccccc1F 8325944 DFNCIVNDOXDMSA-CYBMUJFWSA-N 366.274 5.055 0 40 FKAB Cc1nc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1Cl 10119505 QDPFKMLAOUZZCU-UHFFFAOYSA-N 365.191 5.348 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 10276484 RGKGVDKVIMFNSZ-GJZGRUSLSA-N 359.897 5.282 0 40 FKAB C/C(=C\c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)[C@@H](O)CC2(C)C 11679570 AILNZJCWRAWPSD-KFGZODLXSA-N 350.502 5.059 0 40 FKAB in-man Clc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)cc1Cl 12357856 HVLNJBDOHQASSX-UHFFFAOYSA-N 358.055 6.357 0 40 FKAB O=C1C[C@@H](c2ccccc2OCc2ccccc2Cl)c2sccc2N1 12375573 CUSIXSZPRXNNSW-HNNXBMFYSA-N 369.873 5.455 0 40 FKAB O=C(CCCc1cccs1)N1CCc2sccc2[C@H]1c1ccccc1 12887550 QQZQPIBOPGWSBR-OAQYLSRUSA-N 367.539 5.307 0 40 FKAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1c(F)cccc1Cl 14202204 MUVQJDTXABCZHE-UHFFFAOYSA-N 368.839 5.122 0 40 FKAB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(Cl)c(N)c1 19736708 DPDZPRYITSPGLV-FZKQIMNGSA-N 360.885 5.232 0 40 FKAB CC[C@@H](C)Oc1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 19738611 RNCOUJHRLPXTMN-VGSWGCGISA-N 355.478 5.034 0 40 FKAB Cc1ccc([C@H]2Nc3c(sc4ncccc34)C(=O)N2c2ccccc2)cc1 22607250 QYDSSJULKJCOFW-FQEVSTJZSA-N 371.465 5.376 0 40 FKAB CCc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 24754117 DAHXHAWKWXQNPA-UHFFFAOYSA-N 354.500 5.250 0 40 FKAB CCCCOc1ccc(-c2cc3c(SCC(C)C)nccn3n2)cc1 38486443 AEWVDHNSGQXAOJ-UHFFFAOYSA-N 355.507 5.323 0 40 FKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 39857512 ZXEPQHKOHMANQV-PDGQHHTCSA-N 353.443 5.060 0 40 FKAB CCCCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124318 WSDORRCXQKQVNB-UHFFFAOYSA-N 374.897 5.086 0 40 FKAB Cc1noc2ncc(C(=O)N(C3CC3)[C@H](C)c3ccc4ccccc4c3)cc12 56379435 QJWZNWPUFYHPDR-OAHLLOKOSA-N 371.440 5.050 0 40 FKAB CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 67297340 VMCKEBSFXIKAHD-LCUIJRPUSA-N 368.436 5.480 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 70462046 UONGIUXLLQPKSG-UHFFFAOYSA-N 352.434 5.282 0 40 FKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OCC 107960229 FPNHJPOILKJLEV-UHFFFAOYSA-N 369.848 5.543 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCSc2ccc(C)cc2)cc1 216269705 JMHHLPRLLXRTEN-NRFANRHFSA-N 371.546 5.389 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 225334884 AYJMBXSLSAHICX-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C 225669570 WTSRPYMGVDGCBR-UHFFFAOYSA-N 361.526 5.488 0 40 FKAB Cc1ccc(-c2csc(=Nc3ccccc3)n2CCc2ccccc2)cc1 252674146 RTVSJYYLHWAWRD-UHFFFAOYSA-N 370.521 6.000 0 40 FKAB O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)C(Cl)(Cl)Cl 575360352 BYCOAGLWFKFITI-UHFFFAOYSA-N 359.480 5.277 0 40 FKAB C[C@H](CC(=O)c1ccc(Br)c(C(F)(F)F)c1)CC(C)(C)C 575362636 PECCLHBDWCMLHP-SNVBAGLBSA-N 365.233 6.113 0 40 FKAB C[Si](C)(C)C1=C[C@H](NCc2ccccc2)n2c(nc3ccccc32)S1 675010766 XSGYNNZOLWUPBV-GOSISDBHSA-N 365.578 5.192 0 40 FKAB Brc1cscc1/C=C/c1cscc1Br 984430 MBFAVAZLXYQZEZ-OWOJBTEDSA-N 350.100 5.505 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)cc1 1507950 NDSGLQZCKQZYFD-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1681455 YKBGBWKNWHJWFR-UHFFFAOYSA-N 370.446 6.173 0 40 FKAB Cc1ccc(NCC(=O)n2c3c(c4ccccc42)CCCC3)cc1Cl 2295543 PPJNUCWKYIXNFE-UHFFFAOYSA-N 352.865 5.234 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cc2c(s1)CCCCC2 3448654 RYEXOKYTEDSKFK-UHFFFAOYSA-N 370.558 6.288 0 40 FKAB CCCCc1c2c(nn1-c1ccccc1F)C[C@@H](c1ccccc1)CC2=O 3624987 ITAJQJKXYGQVGN-QGZVFWFLSA-N 362.448 5.267 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 4026274 CRRKVZVYZQXICQ-PZSZKOGDSA-N 358.522 5.086 0 40 FKAB biogenic Cc1ccc(C2=Nc3ccccc3S[C@H]2c2nc3ccccc3[nH]2)cc1 4149298 OJJNLFJFPWDBGI-OAQYLSRUSA-N 355.466 5.839 0 40 FKAB Clc1ccc(C2=Nc3ccccc3N[C@@H](C(Cl)(Cl)Cl)C2)cc1 4277051 SNHMOUTVZLFRSB-OAHLLOKOSA-N 374.098 6.015 0 40 FKAB Cc1ccc(C)c(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)c1 4363491 VNNAFHCSXIZHOJ-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB CCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccs3)C[C@H]21 4715925 JUZKHTJLRYSSSL-QGZVFWFLSA-N 368.502 5.351 0 40 FKAB CCOc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 4838335 BCWXUUHKWNYMHM-UHFFFAOYSA-N 372.515 5.043 0 40 FKAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4911401 SDXIVZPTTDNASZ-HNNXBMFYSA-N 373.880 5.236 0 40 FKAB COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5458966 SPRCRJFJKWTOIK-IFMALSPDSA-N 355.441 5.191 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)cc2C)cc1 5477607 QABMWQRGQXLOEW-UHFFFAOYSA-N 364.452 5.561 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 5515725 DFXBTCWHQGKPFC-UHFFFAOYSA-N 366.464 5.187 0 40 FKAB CCOc1ccc(Oc2ccc(NC(=O)Cc3ccsc3)cc2)cc1 6261457 DMBKSSQBGCTFJO-UHFFFAOYSA-N 353.443 5.120 0 40 FKAB C=CCc1cc(/C=C2\Sc3ccccc3C2=O)cc(OCC)c1OCC 6354895 VZVRPQNDJGLSKP-ZHZULCJRSA-N 366.482 5.542 0 40 FKAB CCCCN(C(=O)c1ccccc1OCC)c1nc2ccccc2s1 6609979 NYOIQUCUFRLLKT-UHFFFAOYSA-N 354.475 5.142 0 40 FKAB Cc1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c(C)n1C(C)C 8232096 CDGOWJFRXQHLNI-UHFFFAOYSA-N 353.510 5.319 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCCCC2 8279765 RPLITXGTHTVOEM-CYBMUJFWSA-N 370.543 5.460 0 40 FKAB Cc1ccc(CN(C)C(=O)c2ccc(-c3nc4ccccc4s3)s2)o1 8329159 KALSDMTYZXQGGP-UHFFFAOYSA-N 368.483 5.198 0 40 FKAB c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)[nH]c2-c2ccccc2)cc1 8656013 ZPHZJNHUBVARTG-UHFFFAOYSA-N 354.409 5.182 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2c(Cl)cccc12 9141650 GWOKSXPKBBISGT-UHFFFAOYSA-N 350.632 6.052 0 40 FKAB CCCc1ccc(N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 12543917 FTSQUGCIRNQQDQ-LBPRGKRZSA-N 351.277 5.385 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc(C)c1Cl 14396406 ORABSUYJONPPDX-HNNXBMFYSA-N 353.849 5.516 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 20491231 CPLPZIDDKQVQQX-JOCHJYFZSA-N 355.437 5.789 0 40 FKAB Cc1cccc(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)c1 22072456 KBADVAKACLOAJH-UHFFFAOYSA-N 372.255 5.693 0 40 FKAB O=C(CCC1CCCC1)Nc1nn(Cc2ccccc2Cl)cc1Cl 28305879 UDYXVDJDFDSXNY-UHFFFAOYSA-N 366.292 5.147 0 40 FKAB c1ccc(N/N=C(/N=N/c2nc3ccccc3s2)c2ccccc2)cc1 33387420 OPOMTHCDFJEKJO-JRZMRYEWSA-N 357.442 5.854 0 40 FKAB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640207 ZEZHPTYTCOOIMP-GBAAUQCPSA-N 354.534 6.071 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1Cl 38849698 BZMWAOOHAIAIDI-UHFFFAOYSA-N 356.897 5.277 0 40 FKAB CC(C)(C)c1ccc(NC(=O)N(Cc2ccsc2)Cc2ccco2)cc1 42382114 IOSGEZNQLRKGOE-UHFFFAOYSA-N 368.502 5.873 0 40 FKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2C)cc1 44086820 DYJGLPZWWBPAQJ-UHFFFAOYSA-N 370.521 6.448 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930674 CUFSHWXGVRHVRN-RBPZEKTISA-N 360.538 5.166 0 40 FKAB O=C(Nc1c(F)cccc1F)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206881446 WRPQHCRHTCOXMY-AWEZNQCLSA-N 364.823 5.420 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 222895179 FTVWNWLNBXYHRR-KRWDZBQOSA-N 351.490 5.314 0 40 FKAB Cc1ccc(S[C@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1 225139993 ZCTFCUXWEHNTMY-OAQYLSRUSA-N 364.466 5.575 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCCSCc2ccccc2C)c1 225599728 FXWADFQMFUJLIC-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 225626259 WGQLOKXIHWQFDB-UHFFFAOYSA-N 353.771 5.490 0 40 FKAB Cc1cc2nc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)oc2cc1C 226308541 QXIMKUHOFNMNHP-UHFFFAOYSA-N 367.831 5.240 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 253607971 BLQQANOVYWBZAO-YUXAGFNASA-N 360.538 6.263 0 40 FKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccccc1 408563621 VWTKNNSRFPCNJM-XDOYNYLZSA-N 370.905 5.193 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 727747 ZXQWVIJXUPKFNW-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)cc1 756780 CERUEMSQDBWHLE-UHFFFAOYSA-N 374.875 5.341 0 40 FKAB C/C=C1\S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 973376 SJXHLYBHLLBQFR-OSUFOPDOSA-N 364.392 5.226 0 40 FKAB Cc1ccccc1-c1cc(C(=O)Nc2c(C)cccc2C)c2ccccc2n1 995207 PFDSKEOVQIDDBW-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1893747 FYZVVICCASZPKJ-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CC[C@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12 2359749 GUSSSKCSJCBFMR-ZDUSSCGKSA-N 356.901 5.558 0 40 FKAB O=c1c2ccccc2nc(SCc2ccccc2)n1C1CCCCC1 2361940 UZFURTZPVABWTE-UHFFFAOYSA-N 350.487 5.194 0 40 FKAB Clc1ccc(C2=C[C@@H](c3cccs3)n3c(nc4ccccc43)N2)cc1 2914900 NSZXBVYRDTYXKH-SFHVURJKSA-N 363.873 5.807 0 40 FKAB Clc1ccc(Sc2nnc(Cc3ccccc3)c3ccccc23)cc1 3133372 AYDPJHUYMXRMNQ-UHFFFAOYSA-N 362.885 6.025 0 40 FKAB CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4612821 KIXGFZRPUASEFM-QEGGNFSNSA-N 371.524 5.462 0 40 FKAB Cc1nn2c(N3CCC(C)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1 5561452 RWRYABJXNHHKGA-UHFFFAOYSA-N 362.521 5.239 0 40 FKAB S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2cn[nH]c2c1 5691347 OEJNYGYTQQFKST-UHFFFAOYSA-N 360.442 5.164 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2C)cc1OCC 6274212 GHNQYRXKPJWMJL-UHFFFAOYSA-N 361.869 5.397 0 40 FKAB C[C@H](NC(c1ccccc1)c1ccccc1)c1nnc(-c2cccs2)o1 6510756 CIMYURWWXGOLKH-HNNXBMFYSA-N 361.470 5.238 0 40 FKAB CCc1cccc(C)c1NC(=O)Cc1csc(-c2ccc(F)cc2)n1 7400924 QGLPWOLCBKICLK-UHFFFAOYSA-N 354.450 5.001 0 40 FKAB O=C(Nc1ccc(OCc2nc3ccccc3s2)cc1)c1ccccc1 8121090 CSYMOPJXDRWWOM-UHFFFAOYSA-N 360.438 5.128 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 8429505 JRZNGCFKVSGWDL-UHFFFAOYSA-N 359.425 5.063 0 40 FKAB COc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1 8471528 OHEVGJMKWYYKDD-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB O=C(N[C@@H](c1ccccc1)C1CC1)N(Cc1ccco1)Cc1cccs1 9878444 BWKHQLRWFQDBIQ-FQEVSTJZSA-N 366.486 5.204 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 10338108 LJOKDWLPIZNMPN-UHFFFAOYSA-N 364.258 5.283 0 40 FKAB CC[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 12790983 AUJINNYCYRXWPW-CYBMUJFWSA-N 352.659 5.235 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccccc3C)o2)cc1 12875871 ORPMYELDTDWIBJ-KRWDZBQOSA-N 363.457 5.074 0 40 FKAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1 13810104 WLEYNQMJVLAHOE-BUHFOSPRSA-N 352.437 5.173 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 20491134 GISLLSFOUHXHJW-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc(C)c1Cl 21311998 QZGHIPUDNMSTSM-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1 30851428 WFEJCSRQJLRKMU-GOSISDBHSA-N 361.510 5.778 0 40 FKAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CC=C(c2ccccc2)CC1 40018118 UBVBDLPLXMYMHN-HNNXBMFYSA-N 353.416 5.282 0 40 FKAB CN(C)C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 59843022 SIZFEQZHFMRHCK-UHFFFAOYSA-N 369.635 5.157 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222905092 FLJHFLNBGAFMHB-HNNXBMFYSA-N 373.949 5.329 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cccc1C(C)C 223018906 XRYDIJFHTABHJL-IBGZPJMESA-N 359.897 5.876 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3SC(C)C)s2)cc1 223267769 SRVZZJURVNJAGS-UHFFFAOYSA-N 369.515 5.266 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Nc2cccc(Cl)c2)cc1C(C)C 223368728 GPOALXOUUKYPJI-CQSZACIVSA-N 360.885 5.663 0 40 FKAB Cc1ccc(S[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1 225110736 ZKSJFXPCPPMMIP-NRFANRHFSA-N 364.466 5.575 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1C 225379819 PXXDYXXJXOLQCE-SFHVURJKSA-N 350.289 5.502 0 40 FKAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc2ccccc12 226253886 FIEFVZULTMBAQN-MRXNPFEDSA-N 359.473 5.053 0 40 FKAB CC1(C)Cc2ccc3c(c2O1)OC(C)(C)[C@H]1CC[C@H](c2ccccc2)O[C@H]31 257264759 LVXPFFFKMOCJTM-QKNQBKEWSA-N 364.485 5.780 0 40 FKAB CCCOC(=O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 408623480 UTCMMNTURKZAFX-UHFFFAOYSA-N 367.832 5.312 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(CSc2ccccc2)cc1 408778104 AYSRKWMHXHKYIO-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 409116295 NGQVMENPQLPDJM-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(NCc1cc(-c2ccco2)cs1)NCc1cccc2ccccc12 1775968977 QFKCUDWBRCLSSD-UHFFFAOYSA-N 362.454 5.161 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4)c3C)nc2c1 809272 HFMGTIGGTOSDGL-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(Cl)cc2)s1 1356466 QFRCRCQJZPWZKV-UHFFFAOYSA-N 363.914 5.182 0 40 FKAB COc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 1840600 WBOGFCSAAOYBIA-UHFFFAOYSA-N 355.330 5.373 0 40 FKAB C(=C/c1ccc2cccc(-c3ccccc3)c2c1)\c1ccc2ccccc2c1 2077520 WGJCOBAAOLYFSL-BUHFOSPRSA-N 356.468 7.830 0 40 FKAB Cc1cc(C)cc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)c1 2182942 FIVYKRXFPDOIEI-UHFFFAOYSA-N 374.391 5.155 0 40 FKAB Cc1nn2c(Nc3ccc(F)cc3)c3c(nc2c1-c1ccccc1)CCCC3 2343044 YWAZMYOUIWHLKO-UHFFFAOYSA-N 372.447 5.466 0 40 FKAB CCCc1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1CCC2 2440570 FGQGFYSBDYPPJU-UHFFFAOYSA-N 366.534 5.425 0 40 FKAB COc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1O 3197239 AWVYJNXLDXXMLX-UHFFFAOYSA-N 374.484 5.043 0 40 FKAB biogenic S=C(Nc1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1 3275719 GGLDKQJCFLZYLM-UHFFFAOYSA-N 352.890 5.740 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 3317822 LVISMHLRIAGBAF-UHFFFAOYSA-N 351.519 5.380 0 40 FKAB CC(C)(C)c1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 3337074 HGFOIALMXKBQPJ-UHFFFAOYSA-N 364.470 5.317 0 40 FKAB O=C(c1ccco1)c1cn(CCOc2ccccc2Cl)c2ccccc12 3655966 GESPHFISVJQYHB-UHFFFAOYSA-N 365.816 5.198 0 40 FKAB Clc1ccc(-c2nsc3c(SCc4ccccc4)ncnc23)cc1 4886020 DMXZSRNUADLQPX-UHFFFAOYSA-N 369.902 5.699 0 40 FKAB Fc1ccc(C2=NN(c3ccccc3F)[C@@H](c3ccc(Cl)cc3)C2)cc1 5008094 IOZMBQZSUDQJCD-OAQYLSRUSA-N 368.814 5.974 0 40 FKAB O=[S@]1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 5722757 OPMACWLLFAYQRX-NTKDMRAZSA-N 371.914 5.775 0 40 FKAB CCCCCCSC(=Cc1cccc[n+]1C)SCCCCCC 5760003 RUJYAHNVQYHOFM-UHFFFAOYSA-N 352.633 6.437 0 40 FKAB C[C@@H](CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1 6154032 HRQDQRHZVFJZIW-INIZCTEOSA-N 355.441 5.362 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 6262701 JIXGUGIXWIZEGY-UHFFFAOYSA-N 374.893 5.265 0 40 FKAB Cc1cc(C)c(SCC(=O)Nc2ccc(Br)cc2)c(C)c1 7715994 BCWNFNFZCGOHBZ-UHFFFAOYSA-N 364.308 5.105 0 40 FKAB Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 20494554 IKOJQQYKLOTLMF-HSZRJFAPSA-N 361.510 5.301 0 40 FKAB COc1ccc2cc(CSCc3ccc(C(=O)O)cc3)c(Cl)nc2c1 25053897 UJBAGSBOIRFBDU-UHFFFAOYSA-N 373.861 5.028 0 40 FKAB CCCSc1ncc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 28287136 ACYAULOQFDOKEC-UHFFFAOYSA-N 367.261 5.003 0 40 FKAB Cc1ccc2cc(CSc3nc(C(C)(C)C)n[nH]3)c(Cl)nc2c1C 28855476 KMRONAJWWSDMSL-UHFFFAOYSA-N 360.914 5.213 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1 30852456 UWLIKCAVLAGWLH-AUSIDOKSSA-N 364.533 5.108 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc(F)ccc1Br 32848501 FICGRQIWQIHOFX-UHFFFAOYSA-N 370.221 5.092 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCC1 33720597 JBVGQWGSQQVSHX-DHZHZOJOSA-N 361.272 5.246 0 40 FKAB Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2c1C(=O)CCC2 40128665 ZIVYJIPJNNNTBR-UHFFFAOYSA-N 371.742 5.032 0 40 FKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1 49004996 RYZZBHVLDOJNPD-GOSISDBHSA-N 374.488 5.087 0 40 FKAB Cc1cc(N(C)C)ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 60456966 DMLHYWKSYGLMPN-UHFFFAOYSA-N 371.440 5.122 0 40 FKAB CCCCCn1c(SCc2cccc(F)c2)nc2ccccc2c1=O 67259014 BIYNYQICZSMABW-UHFFFAOYSA-N 356.466 5.018 0 40 FKAB Cc1ccc2c(-c3ccccc3)nc(Nc3nc4ccccc4[nH]3)nc2c1 75109548 OUQOVOFCDSMQGS-UHFFFAOYSA-N 351.413 5.225 0 40 FKAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc2c(c1)CCCC2 223100298 APTNPIWNFZZIKD-HSZRJFAPSA-N 373.496 5.608 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1C 225614249 XIHGZQANHPHZRL-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225736600 CUVCEYWJBGQSDC-PGRDOPGGSA-N 363.542 5.651 0 40 FKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1 225766854 MNDUSQKCIWOCSA-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(N)c1 226348360 HNWIQTFJOPMKLK-UHFFFAOYSA-N 370.836 5.142 0 40 FKAB CCCCCC[C@]1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245380469 ZOERYLZCLDLETJ-IFMRQQRSSA-N 365.561 6.046 0 40 FKAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)c1 409000524 TVYUXCRLXHBGBK-FSSWDIPSSA-N 355.437 5.164 0 40 FKAB CC(C)(C)Cc1nc2cc(NC(=O)c3ccc4ncccc4c3)ccc2o1 517494134 RTYVZXJSVXVALW-UHFFFAOYSA-N 359.429 5.217 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc2ccccc12 949552 RYYRLVUNXIWWCR-UHFFFAOYSA-N 356.425 5.617 0 40 FKAB Cc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 1473090 XMLIZGZPNPFDIH-UHFFFAOYSA-N 362.860 5.625 0 40 FKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1 2246958 OUVZEQVUGLMYPU-UHFFFAOYSA-N 370.843 5.348 0 40 FKAB COc1ccccc1C(=O)Oc1c(CC(C)C)cc(C)cc1CC(C)C 2513775 MXIBKFFRGFUAFU-UHFFFAOYSA-N 354.490 5.620 0 40 FKAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(C(F)(F)F)C(F)(F)F 3188829 DCRFHIFMDMHVFN-UHFFFAOYSA-N 374.495 5.326 0 40 FKAB biogenic O=C(c1cn(CCCOc2ccccc2)c2ccccc12)C1CCCCC1 3655938 CYDKGTHJBFJVNV-UHFFFAOYSA-N 361.485 5.873 0 40 FKAB O=C(Nc1ccc2cc(OC(=O)c3ccccc3)ccc2c1)c1ccccc1 3844815 WNRXVISRSVGVAQ-UHFFFAOYSA-N 367.404 5.311 0 40 FKAB biogenic O=C(C[C@H](SC1CCCCC1)C(=O)O)c1ccc(C2CCCCC2)cc1 4118462 QJCXHBFXQPPRAG-NRFANRHFSA-N 374.546 5.826 0 40 FKAB CCOc1cc(-c2ccc(O)c(OC)c2)cc(OCC)c2c(C)[o+]c(C)c1-2 4311184 LUBMSECSEHCORK-UHFFFAOYSA-O 369.437 5.461 0 40 FKAB CCc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 4678430 ZCDOPSYVHLSERZ-UHFFFAOYSA-N 367.496 5.929 0 40 FKAB COc1cc(C)c(NC(=O)c2sccc2-c2ccc(C)cc2)cc1OC 5405451 XMASYGFWYREXBY-UHFFFAOYSA-N 367.470 5.301 0 40 FKAB CC(C)CC[C@@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 5499645 HDPQPBVKYYFUBB-URXFXBBRSA-N 367.577 6.735 0 40 FKAB FC(F)(F)c1cccc(OCCCN2CCCC[C@@H]2c2cccnc2)c1 6719069 LBTGEWHWZCSNRC-LJQANCHMSA-N 364.411 5.097 0 40 FKAB biogenic Clc1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)c1 8428106 AGTAVOJRTFXEKX-UHFFFAOYSA-N 369.833 5.337 0 40 FKAB O=C(N[C@H](c1ccccc1)C1CC1)N(Cc1ccco1)Cc1cccs1 9878450 BWKHQLRWFQDBIQ-HXUWFJFHSA-N 366.486 5.204 0 40 FKAB CC[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)cc1 10423588 FYOUUYFPJLABLB-OAHLLOKOSA-N 371.893 5.048 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 13708612 QICNRCHMDIHCDG-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 14257900 ARKJAEILMNDPKL-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB Cc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)c2ccccn2)o1 15833119 SEDRYMCTGNGZKZ-UHFFFAOYSA-N 374.440 5.501 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3F)n2)cc1 17074864 KWFFSDAQWRDGHD-UHFFFAOYSA-N 364.370 5.683 0 40 FKAB CCc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)cc1 20492373 YKURLGVKYWNXGZ-UHFFFAOYSA-N 371.440 5.115 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 22996471 DEWZRNPGYXTVRC-UHFFFAOYSA-N 368.664 5.025 0 40 FKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)cc1 23390828 HZBDKNJXAYQSHA-UHFFFAOYSA-N 369.852 5.085 0 40 FKAB Cc1cc(C)cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 26461948 FQGQKFHZTRFWHT-UHFFFAOYSA-N 365.665 5.031 0 40 FKAB O=C(CCC1CCCCC1)Nc1nn(Cc2ccccc2F)cc1Cl 32610589 PLJVISPTPWFWOY-UHFFFAOYSA-N 363.864 5.023 0 40 FKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)ccc1O 35606575 POKIKFOUZFRUBW-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1C 38755831 SODCZNIWPMZPLD-IBGZPJMESA-N 353.849 5.598 0 40 FKAB CN(C(=O)Nc1ccc(F)c(F)c1F)C1CCC(c2ccccc2)CC1 58310321 DEONETGSFORJLW-UHFFFAOYSA-N 362.395 5.294 0 40 FKAB Cc1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 59132820 HNUFJOCEJSTBLR-UHFFFAOYSA-N 360.693 5.686 0 40 FKAB C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)[C@@H](O)CC2(C)C 65742807 WTWGVKDCAJSUBZ-NRFANRHFSA-N 364.485 5.075 0 40 FKAB in-vitro O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2cccc3cccnc23)S1 72401191 JVADTMCYMAINEC-SXGWCWSVSA-N 367.380 5.231 0 40 FKAB COc1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2-c2ccccc2)cc1 96191839 SLVMIFYNCHOSRN-UHFFFAOYSA-N 352.457 5.614 0 40 FKAB C/C(=C/C(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 104074555 LZWKVWAJBKAEKD-VKAVYKQESA-N 352.437 5.947 0 40 FKAB CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC 108371265 ACNVLENRHNVGCA-AEFFLSMTSA-N 361.530 5.169 0 40 FKAB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914873 XFQZMLHHLMNCGB-LQHFQCQCSA-N 362.554 5.102 0 40 FKAB biogenic CC[Si](C)(CCC(F)(F)F)CO[P@@](C)(=O)Oc1ccccc1 195529464 DVLVWNGQFRSODE-ZMFCMNQTSA-N 354.381 5.495 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219593229 JBHGNZGCEFMAMK-YADHBBJMSA-N 369.505 5.065 0 40 FKAB CCCCc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222687409 WPSNQOGVGMLLLV-UHFFFAOYSA-N 361.938 6.194 0 40 FKAB CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223022049 VHAULQBTWKVWND-JOCHJYFZSA-N 367.558 5.624 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 223053409 CYFKTPUDZOHFEH-CQSZACIVSA-N 365.395 5.543 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COCC(C)C)c1 224454633 BAGQMNAAYOAKMJ-UHFFFAOYSA-N 369.505 5.245 0 40 FKAB CCCCc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225128575 IMIDSNDRCYQBQR-DEOSSOPVSA-N 374.480 5.771 0 40 FKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC(C)C 225524056 AOUIVXLGVUQWHR-UHFFFAOYSA-N 371.908 5.886 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547311 OFOUYBXGQFQKCF-QGZVFWFLSA-N 369.480 5.844 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225747831 XZOSRIRHUWJKJC-QFIPXVFZSA-N 363.542 5.652 0 40 FKAB CC[C@@]12CCC3=C(C1=CC[C@H]2OC(C)=O)[C@@H](C)Cc1cc(OC)ccc13 229780163 GIYSITPKERYJBK-NNIZRDCOSA-N 352.474 5.093 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 409263199 IGEJXJYCYIQIAK-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB C[C@@H]1C[C@H](c2ccc(Cl)c3ncccc23)CN(C(=O)OC(C)(C)C)C1 1772715183 RSFJQFFCUXNJAY-KGLIPLIRSA-N 360.885 5.249 0 40 FKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4C)c(C)c3)nc2c1 793913 KIOVXQBBKNWCHN-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1cccc(COc2ccc3c(=O)c(Oc4cccc(C)c4)coc3c2)c1 942549 RYQGTVDGKVCWHX-UHFFFAOYSA-N 372.420 5.781 0 40 FKAB CCCCc1cc(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 2216462 XGNYDFGBXHTOER-UHFFFAOYSA-N 352.817 6.202 0 40 FKAB Cc1ccc(-c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 2268133 DCQOWIDXLNTIPN-UHFFFAOYSA-N 361.448 6.039 0 40 FKAB O=C(Sc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 2316505 VKDSUMWQGRTPOR-UHFFFAOYSA-N 369.898 6.855 0 40 FKAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 2336104 DOTCMYYZDBNRHL-UHFFFAOYSA-N 374.827 5.212 0 40 FKAB Fc1ccc(CSc2nnc(NCc3ccccc3)s2)c(Cl)c1 2618637 DASKMXFBSSVWBR-UHFFFAOYSA-N 365.886 5.235 0 40 FKAB CCCCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2745242 IPZUNKCFIQNHNY-UHFFFAOYSA-N 358.894 5.537 0 40 FKAB CCCCCc1ccc(-c2ccc(C3OCC(CCC)CO3)cc2)nc1 3204606 FXVSGMWEHWGLNV-UHFFFAOYSA-N 353.506 5.943 0 40 FKAB Cc1cccc(O[C@@]2(c3ccc(Cl)cc3)OC(=O)c3ccccc32)c1C 4268391 MQFVLGOZPPYVJY-QFIPXVFZSA-N 364.828 5.407 0 40 FKAB CCCCCc1ccc(-c2ccc(-c3noc(-c4cccnc4)n3)cc2)cc1 4600503 KCLLUUITMAXWCH-UHFFFAOYSA-N 369.468 6.198 0 40 FKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1cccc(Cl)c1Cl 4678571 INHFQTPMDDELDI-UHFFFAOYSA-N 366.679 5.659 0 40 FKAB CC[C@@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H](CC)c1ccc2c(c1)C[C@@H](C)O2 4806228 LHXPONQGAROOEF-KFVVBQDRSA-N 350.502 6.021 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1-c1ccccc1 5471302 WCESHIWDKQXUMW-SFHVURJKSA-N 373.496 6.057 0 40 FKAB C/C(C=NNC(=O)[C@H](C)Nc1ccc(C)cc1)=C/c1ccc(C(C)C)cc1 5740404 MCAISERHHGOOTF-YJJCTPBRSA-N 363.505 5.124 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N[C@H](C)c1ccccc1 5958512 PGMDLTCAUHDQNP-CQSZACIVSA-N 368.864 5.546 0 40 FKAB Cn1c(-c2cnn(-c3ccccc3)c2-c2ccccc2)nc2ccccc21 6589183 URAQKABCBNHCOL-UHFFFAOYSA-N 350.425 5.093 0 40 FKAB Cc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 9049080 SPKUTKHNMUSRMP-UHFFFAOYSA-N 358.397 5.070 0 40 FKAB Cc1ccc(Cl)c(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1Cl 10311126 SWSUYHBRQSHNTJ-MRXNPFEDSA-N 363.288 5.077 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccccc1 10542796 GVSHMFMDJOLTGX-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB Cc1ccccc1CC(=O)Nc1ccc(OCCCc2ccccc2)cc1 14562216 RESKVEYVPSWSRW-UHFFFAOYSA-N 359.469 5.188 0 40 FKAB CC1CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC1 15425275 UZRXCEUGZVUWIO-UHFFFAOYSA-N 364.464 5.165 0 40 FKAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(Br)cc1F 15525410 ICCMVZRVRIPDFD-UHFFFAOYSA-N 372.237 5.014 0 40 FKAB Fc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1 16525853 XSCWMEXZUZSCFB-UHFFFAOYSA-N 363.476 5.980 0 40 FKAB CC(C)C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 20458346 FVLKSHZDIPGZGW-FQEVSTJZSA-N 359.897 5.403 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 20485273 WTRHAQUGPMHSBN-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CSC2=Nc3ccccc3CS2)cc1 21627694 SCVAUPGPYBFZFP-CQSZACIVSA-N 370.543 5.094 0 40 FKAB Cc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C 22257977 CUUOOAHGNSPSMQ-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3cnc4ccccc4n3)ccc2C)c1 24522649 DZKGEHBMZULSJC-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB CCCCCC[C@H](C)NC(=O)c1cc(-c2ccsc2)nc2ccccc12 26780136 ASZHWGUCRYNQPX-INIZCTEOSA-N 366.530 6.052 0 40 FKAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(-c4ccccc4)cc3)c2O1 32910137 MVOOUGDGBRSKDV-UHFFFAOYSA-N 373.452 5.085 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 32954464 JEBWTPHCFSKHPK-UHFFFAOYSA-N 354.519 5.025 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1 59244537 JCTARQIRLZWNPY-UHFFFAOYSA-N 365.523 6.202 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2c3c(cccc13)CC2 59294401 QCDDVPPHMKCWHZ-DTQAZKPQSA-N 365.432 5.850 0 40 FKAB CCCCN1CCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C 72214744 OQECNOZQWXPFRL-SFHVURJKSA-N 361.530 5.170 0 40 FKAB Cc1csc([C@H](NCc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)n1 95995971 KGEORFWDTNJTHN-QGZVFWFLSA-N 359.882 5.001 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2cccc(C(F)(F)F)c2)C1 102332907 WXJBTEHATVNGHD-WMLDXEAASA-N 356.457 5.303 0 40 FKAB CCCCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118929759 ITIVLALQRMRQHG-LFRJMLHLSA-N 358.566 6.011 0 40 FKAB CCCCOc1ccc(C(=O)N2CCS[C@H](c3ccccc3)CC2)cc1 211140870 ALYNVSBCQNHMGL-NRFANRHFSA-N 369.530 5.186 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219603482 MWVFATPEYAVACY-QRWLVFNGSA-N 373.924 5.672 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 222856733 MGPSRNCBDIYOQX-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223492670 BWQBUUIJXKWONP-UGKGYDQZSA-N 353.506 5.264 0 40 FKAB CC1(C)C[C@H](NC(=S)Nc2ccc(F)c(Cl)c2)c2ccccc2O1 225576987 HIHHYXXKNLERPP-HNNXBMFYSA-N 364.873 5.068 0 40 FKAB CO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225609086 DESWNZBDBGJXFY-QHCPKHFHSA-N 369.505 5.272 0 40 FKAB O=C1c2ccccc2CN1c1ccc2oc(-c3cccc(Cl)c3)nc2c1 226286377 ONUBLECKCGHJOP-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(F)cc3)oc12 226286406 JLTYUHXVKQVNRY-UHFFFAOYSA-N 358.372 5.103 0 40 FKAB Brc1ccc(-n2cccc2-c2nc3ccccc3s2)cc1 409193745 LHKNOMCEPXJTPT-UHFFFAOYSA-N 355.260 5.517 0 40 FKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)cc1 1376128 YDAZDASUPYBHLL-UHFFFAOYSA-N 363.848 5.275 0 40 FKAB O=C(O)c1c(Cl)n(Cc2cc(Cl)ccc2Cl)c2ccccc12 1588845 GABQUSDSOMBNIT-UHFFFAOYSA-N 354.620 5.348 0 40 FKAB CC(=O)O[C@@H]1C(c2ccccc2)=C(c2ccccc2)O[C@H]1c1ccccc1 1707630 PRDNSCQNLIWGBQ-BJKOFHAPSA-N 356.421 5.258 0 40 FKAB CC(C)Oc1ccc(CNCC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 2432477 XSQWQHCMNCZHKU-IRLDBZIGSA-N 361.570 5.431 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C(=O)c2ccccc2)cc1 3009602 ZJXCEQYLUMFJOW-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)c[n+]3c2-c2ccccc2CC3)c(C)c1 3215047 MPQRBWNEAUVCMH-UHFFFAOYSA-N 351.473 5.272 0 40 FKAB COc1ccc(COC(=O)c2oc3c(ccc4ccccc43)c2C)cc1F 3287043 QFRNVAONEHGWMH-UHFFFAOYSA-N 364.372 5.399 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 3849963 YNJRCCQKMDWYDP-QYGQCHEXSA-N 360.582 6.233 0 40 FKAB CCCCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 3897017 XUQRQQQOQAJNRC-UHFFFAOYSA-N 360.866 5.381 0 40 FKAB CC(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@@H]2[C@@H]1c1cccs1 4113954 GAMINHVCFGHOCG-DTKBJZJUSA-N 356.516 5.199 0 40 FKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CC[C@H](C(C)(C)C)C2 4187124 AEQPUDJFCPDKHZ-ZDUSSCGKSA-N 371.502 5.158 0 40 FKAB C[C@H]1CC=CC[C@H]1COC(OC[C@H]1CC=CC[C@H]1C)[C@@H]1CC=CC[C@@H]1C 4578692 WAEPJRAKLSUPKF-SCKOMICBSA-N 358.566 6.153 0 40 FKAB O=C1S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccccc1 4889280 JMTCWGHMDONQFB-HKWRFOASSA-N 373.433 5.720 0 40 FKAB Cc1cccc(N=P(N(C)C)(N(C)C)C23CC4CC(CC(C4)C2)C3)c1C 4948537 IYHVHIGTJFQFTQ-UHFFFAOYSA-N 373.525 6.058 0 40 FKAB CSc1nc(=S)c2sc3nc(C(C)C)c4c(c3c2[nH]1)CCCC4 5625140 YIBNNLSIZNZWAU-UHFFFAOYSA-N 361.561 5.626 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1 6331859 GAQGGEPKGHGAHK-UHFFFAOYSA-N 374.893 5.399 0 40 FKAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 6764055 LNWVKWRAIJAJGZ-YOMPXFNTSA-N 366.892 5.790 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 8586642 LHWNVQRUHPJHIF-UHFFFAOYSA-N 365.498 5.692 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 9141315 GQZFWVWKXHZYSZ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(Nc1ccccc1F)Nc1ccc(N2CCCCC2)c2ccncc12 10262644 AYDRGSXXRIUEJT-UHFFFAOYSA-N 364.424 5.008 0 40 FKAB CCOc1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 10294177 OUOCUDPVTLRHFS-XQNSMLJCSA-N 373.452 5.273 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(F)(F)F 11637289 JPUBXTNMKKLZEO-KRWDZBQOSA-N 351.368 5.118 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 20039067 COMGOJVUUGDESX-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 22072567 YGNVMJATYOHYIP-UHFFFAOYSA-N 372.255 5.693 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1 44900121 GHZGIFCQKMALDX-LJQANCHMSA-N 353.849 5.598 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212048 YXZDAAWWSKBHLK-IBGZPJMESA-N 368.477 5.123 0 40 FKAB CCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215520 MUPBHBQYRMVAMF-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CC(C)(C)Sc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72217458 MPVIFQVTFGSWHA-GOSISDBHSA-N 354.519 5.340 0 40 FKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccccc1Cl 72229856 OBTKHMPSEZFDNR-LJQANCHMSA-N 372.251 5.327 0 40 FKAB COc1c(Cl)cccc1NC(=O)c1ccccc1N(C)c1ccccc1 89365543 NGINOPVTXOTLAG-UHFFFAOYSA-N 366.848 5.369 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219572895 ABKFUEXSYOMXPO-BEFAXECRSA-N 357.469 5.158 0 40 FKAB CC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C)c(C)c1 222801792 FNZBZHYFFZTZHQ-HXUWFJFHSA-N 353.506 5.247 0 40 FKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Sc2ccccc2)c2ccccc2O1 223507719 RUDAEZOSETTYSK-LPHOPBHVSA-N 369.530 5.366 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 223661362 AQPFPEBABIFJNR-FIIODCPWSA-N 369.892 5.552 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(SC)c1 224312282 QQFZZTTZOBSMIQ-FQEVSTJZSA-N 355.503 5.083 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccccc1C(C)C 224562288 PYRWPMFPVCEZOY-QGZVFWFLSA-N 369.505 5.316 0 40 FKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COCC(C)C 224742088 GAQMXFPURXBYOT-UHFFFAOYSA-N 369.505 5.435 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225552084 QKAKTXXHGDNZCY-UHFFFAOYSA-N 371.908 5.806 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225705213 VGMIENIVHSNCAB-AVRDEDQJSA-N 363.542 5.795 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)C1(c2ccccc2)CCOCC1 225746245 IQBKRQBZRALYPA-UHFFFAOYSA-N 357.453 5.041 0 40 FKAB CCCCCOc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O 408764030 REWWACNGJQTARV-JXAWBTAJSA-N 369.848 5.254 0 40 FKAB Clc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409174313 RQQGDNNPQVTTJD-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB Fc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Br)c1)N2 409188573 DQOQRYKKXCQMRM-FHLIZLRMSA-N 362.242 5.223 0 40 FKAB COc1ccc(CNc2cc(Cl)nc3ccc(C(F)(F)F)cc23)cc1 584905804 AROJEYMLFTVRSJ-UHFFFAOYSA-N 366.770 5.528 0 40 FKAB COc1ccccc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1Cl 941507 APSSQOGDQGOYRY-RMKNXTFCSA-N 355.743 5.019 0 40 FKAB COc1ccc([C@@H](OC(=O)c2ccccc2)c2nccc3ccccc23)cc1 1041032 UQPKQCHBJQETBS-HSZRJFAPSA-N 369.420 5.190 0 40 FKAB Cc1cccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3O)C2)c1 1297183 JGYFHFOQHOTXSP-UHFFFAOYSA-N 360.844 5.999 0 40 FKAB Fc1ccc(-c2nc(-c3cc(-c4ccccc4)oc3-n3cccc3)no2)cc1 1398844 KPXOWOBFRDOXMG-UHFFFAOYSA-N 371.371 5.593 0 40 FKAB CC1(C)[C@@H]2C(Cl)(Cl)[C@@]2(C)c2ccccc2N1C(=O)c1ccccc1 2272494 BNWHOPCCXZHZPW-HKUYNNGSSA-N 360.284 5.187 0 40 FKAB Clc1cccc(CNc2nc(-c3cccs3)nc3ccccc23)c1 3455525 WMWMATNZDQHMDQ-UHFFFAOYSA-N 351.862 5.624 0 40 FKAB Clc1ccc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n2c1 4126241 CMGQIJRWVWAYJU-UHFFFAOYSA-N 369.833 5.189 0 40 FKAB CCCCN(C(=O)C1CCCCC1)c1nnc(-c2ccccc2C)s1 4982397 PFNJUKXSHZBDBM-UHFFFAOYSA-N 357.523 5.227 0 40 FKAB CCOc1ccc(CNCC[C@H](CCC(C)C)c2ccco2)cc1OC 5244548 RKRQXBFYMCWNDK-IBGZPJMESA-N 359.510 5.387 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)C1CCCCC1 5257036 SRJSDNFZMGMVRJ-IBGZPJMESA-N 372.306 5.235 0 40 FKAB CCCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 5421623 BSHSRFDWOYPNQY-UHFFFAOYSA-N 357.497 6.067 0 40 FKAB Cc1cc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3C)oc2cc1C 5478442 HXMNABUKEYMDRO-UHFFFAOYSA-N 370.452 5.601 0 40 FKAB Cc1cccnc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5936228 KBOHKSHMRSFZFP-UHFFFAOYSA-N 373.843 5.511 0 40 FKAB Cc1ccccc1N1C(=O)/C(=C\c2sccc2C)c2ccccc2C1=O 6210228 TZSRQGUXIGELHM-AQTBWJFISA-N 359.450 5.093 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1C 6218035 QCUKZLTUODXHKA-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1(c2ccccc2)CC1 6582687 SNLHBXDUFYNEFE-UHFFFAOYSA-N 363.379 5.165 0 40 FKAB O=C(Nc1ncccc1OCc1ccccc1)c1cccc2ccccc12 6816241 CGIRHIZMAPQNRR-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB CC(C)Oc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9054202 PCQWAAMGLVFKII-IFMALSPDSA-N 353.506 5.110 0 40 FKAB c1ccc([C@@H]2c3ccsc3CCN2Cc2cc(-c3ccco3)on2)cc1 9076848 SSTUOZZKRUSFQP-OAQYLSRUSA-N 362.454 5.144 0 40 FKAB COc1ccccc1[C@@H](CCN(Cc1ccccc1)C(C)=O)c1ccccc1 13681724 WIZVAUXRORQTPC-QHCPKHFHSA-N 373.496 5.266 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)C[C@@H]1OC(=O)c2ccccc21 14473359 LDCWSLSMYUCDCE-IBGZPJMESA-N 351.446 5.174 0 40 FKAB COc1cccc(CNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 25638979 PMORIDGBPBCPSP-JOCHJYFZSA-N 356.469 5.098 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 30872527 HNMFQSWIKDDVPD-MBSDFSHPSA-N 361.485 5.491 0 40 FKAB Cc1sc2ncnc(SCc3cc(F)cc4cccnc34)c2c1C 31612763 HFZLIDDPUBFMPG-UHFFFAOYSA-N 355.463 5.288 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cc(C)cc(C)c3)c2)c1 41091604 CCUPYWOWURXVTC-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB CN(Cc1cccs1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 44776391 CVMQFHGKXXXSCS-CVEARBPZSA-N 368.527 5.066 0 40 FKAB COc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1-c1ccccc1 70017336 ILNQLRBQVUCTOL-UHFFFAOYSA-N 357.453 5.167 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 72212116 HKEBZMDXYOKLPV-JOCHJYFZSA-N 372.468 5.028 0 40 FKAB O=C(c1cccs1)N1N=C(c2ccsc2)C[C@H]1c1ccc(Cl)o1 79112410 WDIOJLPGJNHXIL-LBPRGKRZSA-N 362.863 5.048 0 40 FKAB CCc1ccc(-c2nc3ccc(NC(=O)c4cccc(C)c4)cc3o2)cc1 98086871 AYARVEBZROCONJ-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 107027279 ULDFUGZCVHRXGU-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)c(C)c5o4)cc3)oc2c1C 196231197 YZTLWRGCOXUULO-UHFFFAOYSA-N 368.436 6.537 0 40 FKAB CCCCc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 224314851 DSRSYCYEKJGUSX-UHFFFAOYSA-N 365.901 5.694 0 40 FKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224600791 COBHRGIXBVVFPE-AWEZNQCLSA-N 361.397 5.001 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225341733 ADAUYIPQCPWCBB-CYBMUJFWSA-N 350.289 5.366 0 40 FKAB Cc1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672299 KTXOOBHWCJGXCP-GOSISDBHSA-N 354.519 5.201 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225826270 VVLLGPLJFCUCRK-QGZVFWFLSA-N 361.404 5.028 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c2ccccc12 225847110 GODXIFHOSQUYKB-HSZRJFAPSA-N 371.521 5.943 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1Cl)N2 247398684 MSLRJSCPYNQFKI-CQTZQYROSA-N 353.849 5.335 0 40 FKAB CC(C)Cc1nc(Cc2ccccc2)c(C(=O)O)cc1-c1ccccc1F 257279114 OFATWWNAHRNXBI-UHFFFAOYSA-N 363.432 5.375 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408722685 VWAPDTBANSRWQU-UHFFFAOYSA-N 369.399 5.202 0 40 FKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Cl 409018074 XFUCINUCEZLCCB-DYBVGFEPSA-N 367.898 5.352 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 409121807 WOQLLPGHFCJDER-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccccc3)n2)cc1 409384464 CKUJWVAPSNEOFO-UHFFFAOYSA-N 360.404 5.763 0 40 FKAB O=C(NCCc1ccc(-c2cccs2)s1)Nc1c(F)cccc1F 1889291089 PTCONXAOSWXMEJ-UHFFFAOYSA-N 364.442 5.119 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238289 CLPGKLFDFQUHLE-LOQXXAFESA-N 360.538 5.166 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 708703 JMJLQMNSSWXFES-IBGZPJMESA-N 368.358 5.477 0 40 FKAB COC(=O)/C=C(/C)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1762125 DDRUKWVJKIJZJW-ARJAWSKDSA-N 364.439 5.409 0 40 FKAB Brc1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1 2022290 IGQXJSGMCQCEQO-UHFFFAOYSA-N 351.203 5.319 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 2064205 YJJZIEWRSLEFLK-UHFFFAOYSA-N 366.464 6.025 0 40 FKAB c1coc(CN(Cc2cccs2)c2ncnc3c2oc2ccccc23)c1 2400566 OJVSUIFAJITAHG-UHFFFAOYSA-N 361.426 5.237 0 40 FKAB Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc(Br)cc12 2638755 GDSWCEBTDAUFAK-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB Cc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)cc1 2689441 FPPSHJDRFZDWFS-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)OCCC)CCCC2 2734418 OJQUDDGNOOJTKD-CQSZACIVSA-N 365.539 5.349 0 40 FKAB Fc1ccc(-c2nnc(Nc3ccc4ccccc4c3)c3ccccc23)cc1 2889015 WKEJNJUHDAYKRB-UHFFFAOYSA-N 365.411 6.333 0 40 FKAB Cc1ccc(C2=C[C@@H](c3cccs3)n3c(nc4ccccc43)N2)cc1C 2919880 RHFNNXVNOCIELV-FQEVSTJZSA-N 357.482 5.771 0 40 FKAB Cc1nc(-c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)cs1 3223838 UPGOXDFZWGDJNX-UHFFFAOYSA-N 352.850 5.020 0 40 FKAB Cc1ccc(N(C(=O)c2ccccc2Cl)C2=N[C@H](C)CS2)c(C)c1 3239633 NYNBLRRTNDWGBS-CQSZACIVSA-N 358.894 5.095 0 40 FKAB Clc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCCCC2)cc1 4003070 AYWWZSFNPKCEFK-UHFFFAOYSA-N 360.288 5.294 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccccc1-c1nc2ccccc2o1 4135320 JCHYGTXWQXUPLQ-UHFFFAOYSA-N 374.465 5.616 0 40 FKAB CCCCCOc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1 4194638 HNNQMHNGGRRGKC-UHFFFAOYSA-N 370.474 5.126 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 4382211 PCUGEXZLXJOOPM-INIZCTEOSA-N 353.506 5.515 0 40 FKAB COc1ccc(-c2nc(NC(=O)c3ccc(SC)cc3)sc2C)cc1 4517644 MWHLAFSVMCUHQW-UHFFFAOYSA-N 370.499 5.101 0 40 FKAB Clc1cccc(-c2nnc(SCc3cc(-c4ccccc4)on3)o2)c1 7545816 UAPHFQZIEIWRLK-UHFFFAOYSA-N 369.833 5.337 0 40 FKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cl)cc2C)cs1 7919432 BGEALNMLMWVKTM-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 8049174 YPAWCRJEYPJLAO-UHFFFAOYSA-N 354.302 5.424 0 40 FKAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cccc(C)c3n2)cc1 8472010 FDPCPBVVFAVRTC-UHFFFAOYSA-N 374.484 5.235 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1ccccc1)C2=O 12719904 BXEKJWVUCNPPSL-VPXLYFHOSA-N 362.557 6.682 0 40 FKAB biogenic COc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14006530 OBNSSQXVOAQHJD-VIFPVBQESA-N 374.651 5.061 0 40 FKAB CSc1ccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)cc1 15830892 AEXDWODYOSKYSD-UHFFFAOYSA-N 352.484 5.159 0 40 FKAB Cc1ccc(C)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 19934717 CLZRJFNIFDZDHH-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CC(C)c1cccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 32876371 SBFNYULNYLGZDH-UHFFFAOYSA-N 368.864 5.690 0 40 FKAB CCCC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2C)c2ccccc12 33782085 TYKONAPIMMWBKK-UHFFFAOYSA-N 368.864 5.225 0 40 FKAB CSc1ccc(-c2nc3cnccn3c2Nc2ccc(F)cc2)cc1 35616433 LXRLJXUWCZRNEC-UHFFFAOYSA-N 350.422 5.001 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Oc2ccc(C)cc2C)cc1 40159787 OMZIOZALQGWCJM-UHFFFAOYSA-N 351.471 5.192 0 40 FKAB Cc1cc(N2CCCCCC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216684 JLAUFWHTWYCYQK-UHFFFAOYSA-N 354.885 5.047 0 40 FKAB Cc1cc2nc(-c3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)oc2cc1C 196231161 VUVXVRDQATUTOV-UHFFFAOYSA-N 368.436 6.537 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)Sc1ccccc1 225139865 HBMFFKZPVRGFFX-HXUWFJFHSA-N 350.439 5.267 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C 225715478 QDBMQEQQSRAPEP-KRWDZBQOSA-N 366.452 5.760 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253611238 CLPGKLFDFQUHLE-XNONYCQISA-N 360.538 5.166 0 40 FKAB Cc1nnc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 409098599 QTUOMCUDRWVEKO-UHFFFAOYSA-N 350.274 5.175 0 40 FKAB CCCSc1nc2sc(CC)c(C)c2c(=O)n1-c1ccc(C)cc1 409119692 XOFNOFSYBVDHMU-UHFFFAOYSA-N 358.532 5.129 0 40 FKAB CC(C)c1nccc(-c2ccc(F)cc2O)c1C[C@H](C[C@H](C)O)C(C)C 669371051 SPPKDGPRXOXIPQ-HOTGVXAUSA-N 359.485 5.302 0 40 FKAB CCc1cc(=NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)cc[nH]1 1776004646 NMKOQTVHPWILAD-UHFFFAOYSA-N 366.892 5.741 0 40 FKAB O=C(Nc1cccc2cccnc12)c1sc2cc(Cl)ccc2c1Cl 625153 UNECDMRXNJXOGY-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB CC(C)N(C(=O)Cn1c(-c2ccccc2)nc2ccccc21)c1ccccc1 857499 XTQOAHNEEJUXMA-UHFFFAOYSA-N 369.468 5.145 0 40 FKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1Cl 949018 WEYUCVABNKVGMR-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB COc1ccc(Cc2nnc(SCc3ccc(C(C)(C)C)cc3)o2)cc1 1350809 SAUWNUJENAJDIA-UHFFFAOYSA-N 368.502 5.259 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccccc2)c(C(C)C)c1 1516342 KOQRHVLVIZKIGM-UHFFFAOYSA-N 373.562 5.535 0 40 FKAB C[C@H](OC(=O)c1ccccc1C(=O)O[C@@H](C)c1ccccc1)c1ccccc1 1651936 RZHCBUNQWKVGAW-ROUUACIJSA-N 374.436 5.523 0 40 FKAB CCO[C@]1(c2ccccc2)c2cccc3cccc(c23)[C@]1(O)c1ccccc1 1654144 RRJHOZWINJAEKQ-CLJLJLNGSA-N 366.460 5.369 0 40 FKAB Cc1cc(C)cc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c1 2182977 HLVBHDFVSQALMK-UHFFFAOYSA-N 374.391 5.155 0 40 FKAB CC(C)=CCC/C(C)=C/COc1ccc2c3c(c(=O)oc2c1C)CCC3 2228029 UWTMAZAZKNSINT-DTQAZKPQSA-N 352.474 5.662 0 40 FKAB Clc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 2331619 WZBSZCZFXFYLMW-PMACEKPBSA-N 356.252 6.224 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 3192152 GFBXLELQIHRROU-BJMVGYQFSA-N 356.878 5.725 0 40 FKAB Cc1nc(-n2cnc3cc(C)c(C)cc32)c2c3c(sc2n1)C[C@@H](C)CC3 3326769 QAMFEOWHRSZBQK-NSHDSACASA-N 362.502 5.080 0 40 FKAB CCC(=O)N(CC[C@]1(C(C)C)CCO[C@@](C)(CC)C1)Cc1ccccc1 4073186 KGQNTWJYGRFRTB-GOTSBHOMSA-N 359.554 5.437 0 40 FKAB biogenic COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 4321097 AZENJXAESMGCFO-JOCHJYFZSA-N 362.860 5.704 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4416485 OEECLXWCHUIMAU-KIHUSNISSA-N 374.565 5.222 0 40 FKAB biogenic,in-vitro CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 4723353 VYUACLWMKIFQMX-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB COc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 5172600 HKQXHCUGFXKKHC-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)OCc1ccccc1Oc1ccccc1 5398405 YABATBXPZBTVLV-UHFFFAOYSA-N 357.409 5.246 0 40 FKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccccc1 5446955 CYCSMAGYGHEUPA-UHFFFAOYSA-N 370.502 6.495 0 40 FKAB CC(=C=CC(C)(C)[C@@H]1OCCN1C(=O)Nc1ccccc1)CCC=C(C)C 5631514 HIFWBECTVPZKHA-YNNZGITBSA-N 368.521 5.751 0 40 FKAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc(C)c1Cl 5924733 VIHOMUPZNDMCSV-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)o1 7442377 YVMLRKJRIMJFFO-LBPRGKRZSA-N 358.850 5.062 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(-c2oc3ccccc3c2C)cs1 7844989 OFKMYTNLJXNLBK-UHFFFAOYSA-N 362.454 5.354 0 40 FKAB Cc1noc(C)c1CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 11233123 UZVSWCPBKKCYBC-UHFFFAOYSA-N 374.362 5.157 0 40 FKAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)cc1F 12627237 SEBBRTQSJRZNHP-UHFFFAOYSA-N 371.824 5.108 0 40 FKAB COc1cc(Cl)c(NCc2c(C)cc(C)c(C(C)=O)c2C)cc1OC 12902659 MBABGHLRVBFRTF-UHFFFAOYSA-N 361.869 5.097 0 40 FKAB Clc1ccc(-c2cs/c(=N/c3ccccc3)n2-c2ccccc2)cc1 13739440 AKWQNBASWJIRBS-XTQSDGFTSA-N 362.885 6.092 0 40 FKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1-c1ccccc1 14898875 MBSRJLJFBBRODP-UHFFFAOYSA-N 368.436 5.498 0 40 FKAB Cc1ccc(C(=O)[C@H](Sc2nc(C)cs2)c2ccc(C)cc2)cc1 15279612 VISXVMUBPNJJHY-LJQANCHMSA-N 353.512 5.785 0 40 FKAB CCCCCCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 16638426 HBYSDKIAZRGOHY-UHFFFAOYSA-N 364.411 6.472 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1C 27582432 QZRANTISVADPSJ-UHFFFAOYSA-N 360.335 5.230 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 36611849 HYANSMFAVDMLSI-CQSZACIVSA-N 364.514 5.028 0 40 FKAB C[n+]1ccc(/C=C/C2=C3N(CCC2)c2ccccc2C3(C)C)c2ccccc21 43754903 KYIVCQIELNNRFG-UHFFFAOYSA-N 367.516 5.523 0 40 FKAB C1=C(CCNc2nc3c(-c4ccccc4)nnn3c3ccccc23)CCCC1 67262172 USVIDBHNNUMPES-UHFFFAOYSA-N 369.472 5.247 0 40 FKAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1ccc(F)c(F)c1 89558865 FCCCAWQNVSTOTR-ZDUSSCGKSA-N 366.477 5.005 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1Cl 96171030 QTFQHHCWHYXZBX-UHFFFAOYSA-N 365.138 5.536 0 40 FKAB Cc1ccc2/c(=N/c3ccccc3)cc(-c3ccc4c(c3)OCCO4)oc2c1 100741359 UVOLQUCJXJOWEI-LKUDQCMESA-N 369.420 5.412 0 40 FKAB biogenic Cc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1C 102449841 WRDQJFWSKROZCK-VHXPQNKSSA-N 356.494 6.055 0 40 FKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCC 106971833 OKIXNGCLQFTCEZ-UHFFFAOYSA-N 354.277 5.711 0 40 FKAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(O)o1 137818362 YZJIAVOYCGZTNO-IBGZPJMESA-N 363.438 5.012 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 222958282 KNYGZTDTDNRTER-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223097352 ZTERZWLWDRZTKE-VXKWHMMOSA-N 365.517 5.299 0 40 FKAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)c1 224978733 MBMHYVDLJMJTEZ-UHFFFAOYSA-N 373.452 5.020 0 40 FKAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2N)cc1 225177332 SWDGCNIPFJNZSL-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2)c(C)c1 225767717 BAPAKMILPSDFTN-OAQYLSRUSA-N 364.489 5.519 0 40 FKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409137604 WEHUWERLMLEBOE-DQPIFXJKSA-N 373.518 5.481 0 40 FKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409215708 ADMATJGXDNEHDC-LICLKQGHSA-N 373.861 5.368 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Cl 917718 KIOVCDBWFNUUOB-UHFFFAOYSA-N 370.861 5.215 0 40 FKAB COc1ccc(N[C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)c(OC)c1 952065 AUVKFIATRQQEIK-HSZRJFAPSA-N 373.456 5.090 0 40 FKAB C[C@@H](CCCN(C)Cc1ccccc1)Nc1ccnc2cc(Cl)ccc12 1727298 WWYGIZAIIQNKMF-KRWDZBQOSA-N 367.924 5.601 0 40 FKAB Fc1ccc2oc(-c3ccc4c(c3)OCCO4)c/c(=N\c3ccccc3)c2c1 2311819 LQOUEJOPLJITAC-NCELDCMTSA-N 373.383 5.243 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 2377607 GBWQADHCYLWEBC-UHFFFAOYSA-N 358.466 5.535 0 40 FKAB Clc1cc(Cl)c(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1 2521558 AJKLKINFZLWHQE-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro Cc1cccc(-c2nn(Cc3cccc(F)c3)c(-c3cccc(C)c3)c2C)c1 2733278 YKWUVZGKBZGDLP-UHFFFAOYSA-N 370.471 6.330 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 2972346 PNOORIKDRCHCTH-UHFFFAOYSA-N 373.481 5.536 0 40 FKAB O=C(Oc1cccc2cccnc12)C1c2ccccc2Oc2ccccc21 3265284 IUKPTMKGNCUQFM-UHFFFAOYSA-N 353.377 5.078 0 40 FKAB Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Cl 3351132 QYHOVWLRTBJXNE-UHFFFAOYSA-N 373.667 6.653 0 40 FKAB CCn1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 4060547 NKXQVVHXXRFDOK-UHFFFAOYSA-N 358.894 5.354 0 40 FKAB O=C1O[C@@](Oc2ccc3ccccc3c2)(c2ccccc2)c2ccccc21 4747986 BKLCPJRXUIWIBE-DEOSSOPVSA-N 352.389 5.290 0 40 FKAB Fc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1 4969900 HNXCAMMFAIDIEA-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(F)c1 5165935 FGACSHQXJOQWIB-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB CCc1ccc(-c2cs/c(=N\c3ccccc3)n2[C@H](C)COC)cc1 5559388 CKKNLRIVIFUCSB-YIYXVTKBSA-N 352.503 5.219 0 40 FKAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 6515643 XOBNXIOCFJZGPX-AWNIVKPZSA-N 362.517 5.698 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 8494171 LGXNSHFKTBYMPS-OAQYLSRUSA-N 365.860 5.803 0 40 FKAB CCCCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 8738335 FOBZACIXRWYGJF-UHFFFAOYSA-N 372.321 5.345 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCCC[C@H]1c1nc2ccccc2s1 9578382 HMLWODMPUYLAMX-INIZCTEOSA-N 362.454 5.410 0 40 FKAB C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 13647454 JYVFBMUYYAHHFT-CYBMUJFWSA-N 360.295 5.238 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 14428042 HMNORTZLCXBFGK-UHFFFAOYSA-N 367.880 5.266 0 40 FKAB CC[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757579 OOWVXDUPSFFWBP-MRXNPFEDSA-N 359.498 5.978 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)c1 17073980 MAFLNGAHLHEWSA-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(C(C)C)n3C3CC3)co2)c(C)c1 23007741 LPGKPMSHYFZJSU-UHFFFAOYSA-N 368.506 5.301 0 40 FKAB CC1(C)C[C@H](NCC[C@@](C)(Cc2ccccc2)Cc2cccs2)CCO1 32069953 TYKICFSRGFZJSE-OFNKIYASSA-N 371.590 5.477 0 40 FKAB CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccco1 40146395 WKMBWSZQRWHRRZ-LJQANCHMSA-N 355.384 5.352 0 40 FKAB Cc1ccc(-c2nnco2)cc1NC(=O)c1cc2c(s1)CCCCCC2 47320669 VJIJWKTVBVBXSQ-UHFFFAOYSA-N 367.474 5.018 0 40 FKAB FC(F)(F)c1cc(Br)cc(OC(Cl)(Cl)Cl)c1 95215764 CBXJPEGKZVAWDD-UHFFFAOYSA-N 358.368 5.174 0 40 FKAB COc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101220289 SJGFGKKZTYWLGZ-IRLDBZIGSA-N 355.441 5.191 0 40 FKAB COc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1Br 216762546 WXAGUCZNIZJIIQ-UHFFFAOYSA-N 354.203 5.419 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(C)cc1C 219331911 KBOKODJQVZUUDB-FCHUYYIVSA-N 353.506 5.345 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1C(C)C 223320112 ZGKFUQNDRDOSKH-SFHVURJKSA-N 369.505 5.000 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl 225382123 JRXGADNANOHCDW-UHFFFAOYSA-N 350.289 5.064 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225555016 PGYKQQUUWAGECZ-UHFFFAOYSA-N 371.908 5.806 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2ccc(Cl)cc2)cc1 225586691 QHXQRJFZZXXQHF-UHFFFAOYSA-N 350.940 5.117 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C 225665268 PVLHCNVQFWVGQV-VGOFRKELSA-N 361.526 5.488 0 40 FKAB O[C@H](c1ccc(Br)cc1)c1ccc2c(c1)oc1ccccc12 226296730 QTGFIORPDJULRH-LJQANCHMSA-N 353.215 5.430 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 250113048 JYTFDKSVRVWORY-OHUKFJGISA-N 353.849 5.335 0 40 FKAB Cc1ccc(C)c(-c2[nH]c(=Nc3ccc(Cl)cc3Cl)sc2C)c1 409044470 CPLMGHZIJNTNQM-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB Cc1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682404 IYQKJOVIDNEMSX-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 682982 YNYDBNPLRDXRRQ-UHFFFAOYSA-N 369.342 5.189 0 40 FKAB CC(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 1892216 XATBOZUEXDSWFV-NJNXFGOHSA-N 373.839 6.188 0 40 FKAB CCc1ccc(/N=c2\ssc3c2-c2cccc(C)c2NC3(C)C)cc1 1904675 MESWFNDAZHNEND-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB Cc1cnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1 2639655 JAJUGPKJKCHRNA-UHFFFAOYSA-N 364.426 5.029 0 40 FKAB Clc1ccc(COn2c(-c3ccccc3Cl)nc3ccccc32)cc1 3052839 OQKHNZAZHURJBK-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB CCc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 3285881 XKPSCZQGYKTWFE-UHFFFAOYSA-N 365.889 6.318 0 40 FKAB CCCCOc1ccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cc1 3885973 KWDKNJJNTVVWRD-SSZFMOIBSA-N 367.470 5.491 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(C)cc3C)c3cc(C)ccc3o2)cc1 4342029 LRWWVYWWYTUPME-WNAAXNPUSA-N 369.464 6.266 0 40 FKAB Cn1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cc2sccc21 4354025 DOXQZJLWXCAISC-UHFFFAOYSA-N 366.511 5.144 0 40 FKAB COc1ccccc1NC(=O)CCCCCCCCCC[C@H]1CCCO1 4696858 UHTHKGVOKDFVMN-IBGZPJMESA-N 361.526 5.714 0 40 FKAB CCOc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 4820014 DHOJESCDBGFCDR-UHFFFAOYSA-N 361.470 5.184 0 40 FKAB C[C@@H](Cc1cccs1)NC(=O)c1sc2cc(F)ccc2c1Cl 4949023 BTIATNYIJYEQMG-VIFPVBQESA-N 353.871 5.116 0 40 FKAB CCN(CC)C(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1 5478124 IBTIMVGJHZLNGC-NRFANRHFSA-N 357.469 5.003 0 40 FKAB Cc1cccc(CSc2nccc(-c3cc(Cl)sc3Cl)n2)c1 5619513 ANMHEHCVIXLJJL-UHFFFAOYSA-N 367.326 6.113 0 40 FKAB CC(C)N[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 6638871 MZJHAWOTDKNKOP-MRXNPFEDSA-N 370.802 5.037 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 6654189 BFRBZBDTXZFSOX-UHFFFAOYSA-N 363.457 5.762 0 40 FKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 6657222 ZBFRRTBCPAPJLC-CPNJWEJPSA-N 367.470 5.020 0 40 FKAB COc1ccc(C)cc1CSc1nnc(-c2ccccc2F)n1C1CC1 7830470 AJRZUNAPILRLAT-UHFFFAOYSA-N 369.465 5.028 0 40 FKAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C1CCCC1 9060407 SOGPSJNYDHQSSK-UHFFFAOYSA-N 350.466 5.112 0 40 FKAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 9277462 BCEWDYLITYSFJM-UHFFFAOYSA-N 366.530 5.038 0 40 FKAB CCOc1ccc(C/C(=C/N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 12250587 OWYGYAUIZBUYLZ-VBKFSLOCSA-N 370.905 5.405 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 13401476 GDNCPMQDMBBSRP-LUSLFINUSA-N 374.521 5.018 0 40 FKAB biogenic Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14401182 HBRQQYDJKAJWHW-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 17073606 HWYLWCGMWBNVEC-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc(C)c1-c1ccccc1 20159837 SWHDWRNTMTWDCT-UHFFFAOYSA-N 359.491 5.275 0 40 FKAB CCOc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)c2cccnc12 32622584 FBVSNHYMAAWWNF-UHFFFAOYSA-N 360.413 5.249 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(CN2CCCCCC2)cc1 38856980 IJCRSCMERSFRKH-UHFFFAOYSA-N 350.506 5.186 0 40 FKAB Clc1cccc2sc(-c3cccc(I)c3)nc12 45920928 NIMJPHPBBUTKQI-UHFFFAOYSA-N 371.630 5.221 0 40 FKAB Cc1cc2cc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)ccc2[nH]1 48253079 MCYPTWCULHBYNO-UHFFFAOYSA-N 372.399 5.099 0 40 FKAB Cc1cc(N)c2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352566 LKLXTMYYJBPOCA-UHFFFAOYSA-N 372.453 5.739 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 68569351 XIIAYQZJNBULGD-ODXJPBMZSA-N 372.681 8.498 0 40 FKAB Cc1ccc(Nc2nc(C)c(C(=O)NCCC3=CCCCC3)s2)c(C)c1 71326597 CQXQVHSUULHZGD-UHFFFAOYSA-N 369.534 5.432 0 40 FKAB CCC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2[C@H]1c1ccccc1 95115976 MPFHWEWFCBKKIB-XMMPIXPASA-N 368.480 5.457 0 40 FKAB COc1cc(C)c(/C=C/c2ccc(-c3ccc(C=O)cc3)cc2)c(C)c1C 96171651 GPKLXTBPWMPVCT-NTEUORMPSA-N 356.465 6.270 0 40 FKAB Fc1ccccc1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21 101244130 QJMDBIHRUWWYAL-JOCHJYFZSA-N 368.415 5.140 0 40 FKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C(C)C)cc3)N21 222642014 AHMJIWIHTRRBKG-YZGWKJHDSA-N 351.519 5.184 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCSCc2cccc(Cl)c2)c1 225298153 FXKMQVDVRCKAKG-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CCOc1ccccc1CCCNC(=S)Nc1ccc(C(C)C)cc1 225394923 MNGFIWACJPLWFG-UHFFFAOYSA-N 356.535 5.128 0 40 FKAB COc1cc(C)c(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C(C)C 225667091 NNOKLWXRTBTZCS-GOSISDBHSA-N 367.533 5.613 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226356529 LLEBXWGDPBVYRW-UHFFFAOYSA-N 363.413 5.195 0 40 FKAB CCCCCCC1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245380468 ZOERYLZCLDLETJ-FAYOUJPWSA-N 365.561 6.046 0 40 FKAB O=C(NC1CCCCC1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408968646 ANIBRIHSFSSOOQ-UHFFFAOYSA-N 362.709 5.924 0 40 FKAB CC(C)(C)OC(=O)N1CCCc2ccccc2[C@@H]1c1ccnc(Cl)c1 503852591 HJWPTFMPFCRBNZ-SFHVURJKSA-N 358.869 5.008 0 40 FKAB Cc1oc2ccc(OCc3c(Cl)cccc3Cl)cc2c1C(=O)O 639336 MGZXVXMTZCLZEV-UHFFFAOYSA-N 351.185 5.325 0 40 FKAB biogenic Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C2CCCC2)c1 1006522 UVTXUFJTBBMUSK-UHFFFAOYSA-N 356.853 5.029 0 40 FKAB FC(F)(F)c1nc2ccccc2nc1-n1nccc1-c1ccc(Cl)cc1 1382011 VGGUBWKZIARSOZ-UHFFFAOYSA-N 374.753 5.155 0 40 FKAB CC(C)Oc1ccc([C@H](CCN[C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 2232726 VVPWCQFDGAMCAV-FDDCHVKYSA-N 373.968 6.608 0 40 FKAB Clc1ccc(-c2nc(Oc3ccccc3)c3ccccc3n2)cc1Cl 2270022 FYSNJRGRJQRJGO-UHFFFAOYSA-N 367.235 6.396 0 40 FKAB O=C(NC1=NC2=C(CCCC2)C2(CCCCC2)S1)Nc1ccccc1 2314865 DGUOATOKQQHQKF-UHFFFAOYSA-N 355.507 5.442 0 40 FKAB CCCCCC1CCC(c2ccc(C(=O)Nc3nccs3)cc2)CC1 3066370 MRMYUNFJLQGUBN-UHFFFAOYSA-N 356.535 6.250 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc(Oc2ccccc2)c1 4070088 AVTVJXIHKBEKJV-UHFFFAOYSA-N 365.432 5.983 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1 4071286 WVDCVLMAYHPAEL-UHFFFAOYSA-N 372.440 5.638 0 40 FKAB Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1-c1ccccc1 4186971 RXWTWEJVPDEYKN-UHFFFAOYSA-N 359.857 5.230 0 40 FKAB CSc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 5076519 PBKYSRCOMZGYIW-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)-c2ccccc2CC4)C1 5688994 UOLDCOVAJOBJJT-CQSZACIVSA-N 371.505 6.447 0 40 FKAB Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 6185400 AZEOVGLELQMNQE-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4ccc(Cl)cc43)o2)cc1 6579858 SGIYCLLEFQQZOV-WQRHYEAKSA-N 363.800 5.295 0 40 FKAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(Oc4cccnc4)c23)C1 6911954 CQZXPHLKSTZYRF-ZDUSSCGKSA-N 374.469 5.065 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(C)c1 8007299 CJLZVOZUFYMCEO-UHFFFAOYSA-N 368.436 5.878 0 40 FKAB c1ccc(CSc2nc(-c3ccccc3)nc3c2SCCC3)cc1 9134861 DFCKNBMAUUWVFO-UHFFFAOYSA-N 350.512 5.474 0 40 FKAB CC(C)c1cccc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc12 12361711 BZGNCKHTXGYPKN-UHFFFAOYSA-N 372.493 6.339 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc(-c3ccsc3)nc2C)c(Cl)c1 12903069 USOSAOMOGRNYBZ-UHFFFAOYSA-N 362.907 5.703 0 40 FKAB COc1ccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)cc1 16842877 NHGFMESNAKKBTO-UHFFFAOYSA-N 361.470 5.006 0 40 FKAB C[C@@H](CNc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 19737835 FBSQJAPMKBIGCK-VIFPVBQESA-N 365.087 6.180 0 40 FKAB Cc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1C 19927098 NVTQUIKKCYFUTN-KRWDZBQOSA-N 351.393 5.101 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2cccnc12 22394078 LXAURXAALAYIIV-UHFFFAOYSA-N 364.408 5.030 0 40 FKAB Cc1ccc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)c(C)c1 24754613 BBUIIKSNGDMYFE-MRXNPFEDSA-N 353.516 5.001 0 40 FKAB CC[C@@H](C)Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C)nn12 27585071 AQAACLLDJNHHSS-MRXNPFEDSA-N 356.473 5.582 0 40 FKAB CCOC(=O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1 34925921 WXUOAROMNPWKKC-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB CCc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 35480858 UVFZKKANHKMTML-UHFFFAOYSA-N 372.493 6.021 0 40 FKAB O=C(Nc1cccc(-c2cnco2)c1)c1ccccc1SC(F)(F)F 48204465 JAQJBRCOMYZPBL-UHFFFAOYSA-N 364.348 5.206 0 40 FKAB CC(C)c1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1 57510921 LYBVSJGMQFREGO-UHFFFAOYSA-N 364.836 5.571 0 40 FKAB C[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 57801151 NPCFOCFPUPOJHX-QGZVFWFLSA-N 359.498 5.452 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 216382454 HKTYBQHMGPKJOX-CQSZACIVSA-N 351.368 5.037 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219069536 GVYJKGPQFHIRFG-QGZVFWFLSA-N 353.462 5.031 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223106820 KJELVXNZBPFMFX-RTWAWAEBSA-N 369.480 5.129 0 40 FKAB CC(C)C[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1 225495187 KPUXYWPYKPCIKW-FQEVSTJZSA-N 356.535 5.548 0 40 FKAB CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OC 386498195 PTBVPTOOGNNCOZ-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB CC(C)Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 409102715 ZKNUPEPGCLBGPX-UHFFFAOYSA-N 357.910 5.547 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 409271781 NAMWXDZNQAKUJO-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB O=S(=O)(c1ccccc1)n1c(-c2cc3ccccc3[nH]2)cc2ccccc21 633530 RFVSOABTJACIKZ-UHFFFAOYSA-N 372.449 5.027 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1OCC 936398 JYUFXFIPNOMPKM-FYWRMAATSA-N 361.441 5.289 0 40 FKAB CC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(C)cc1 1023034 JFBRSUFLLSAEPK-JFAQQGEVSA-N 367.492 5.867 0 40 FKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl 1104256 CILURDDTVMUHRE-UHFFFAOYSA-N 374.918 5.199 0 40 FKAB Cc1cc(-c2noc(-c3cc(C)nc4ccccc34)n2)c2ccccc2n1 1426599 MJYHVFNERJEADS-UHFFFAOYSA-N 352.397 5.117 0 40 FKAB C=Cc1ccc(COc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 2345225 QUAJLRNSRYXPRA-UHFFFAOYSA-N 354.405 5.682 0 40 FKAB biogenic Cc1ccc(-c2nn(C3CCCC3)c(-c3ccc(C)cc3)c2Cl)cc1 2733335 KGARDIPERQCLIU-UHFFFAOYSA-N 350.893 6.602 0 40 FKAB O=c1sc(SCc2ccccc2)c(SCc2ccccc2)s1 3194294 CGCDGFZKPOUBBG-UHFFFAOYSA-N 362.566 5.754 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cccc4ccccc34)ccc21 3200045 YXEAXXPSWGQQGO-UHFFFAOYSA-N 364.448 6.220 0 40 FKAB Cc1cccc(C)c1-n1c(S)nc(-c2ccccc2)c1-c1ccccc1 3294787 WOJTYUPZYNRMML-UHFFFAOYSA-N 356.494 6.112 0 40 FKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)C1CC1 3393131 YRTWPBBCMLCFLG-UHFFFAOYSA-N 354.500 5.252 0 40 FKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3ccccc3)c2c1 4130054 JSIYRRQKGYFZGN-UHFFFAOYSA-N 374.484 6.291 0 40 FKAB COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c1 4315242 ADWUBPWDVDYHDC-UHFFFAOYSA-N 356.834 5.165 0 40 FKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 4524969 AJTJBLIFAGTZAF-YUCXICBCSA-N 366.332 5.406 0 40 FKAB CC(C)(C)c1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 4753808 ZVIMJSYBHDIXRE-UHFFFAOYSA-N 362.502 5.182 0 40 FKAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Cl 4893442 BOCKHKPXFMOTOW-SECBINFHSA-N 374.651 5.061 0 40 FKAB Cc1cccc(CSc2nnc(-c3cccc(Br)c3)o2)c1 5148297 YACFPICMCARAST-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB FC(F)(F)c1cc(Cl)c2nnc(-c3ccc(Cl)cc3Cl)n2c1 5427219 FZECSGOVEUPZFI-UHFFFAOYSA-N 366.557 5.375 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 5910250 JUDODDKZZMBZRK-AWEZNQCLSA-N 360.413 5.854 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 5942668 FIPSROQCYCKTTB-UHFFFAOYSA-N 372.679 5.753 0 40 FKAB Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)coc2c1 6860182 BIMOJTNZTQUTSE-UHFFFAOYSA-N 367.754 5.595 0 40 FKAB Cc1cc2ncn(CC(=O)Nc3ccccc3Oc3ccccc3)c2cc1C 7989442 CKWBQYFRWCYROM-UHFFFAOYSA-N 371.440 5.084 0 40 FKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3Cl)c12 12900976 WEASKPUKTLBGRP-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CN(Cc1ccccc1Cl)C(=O)CCOc1ccc(C(C)(C)C)cc1 13096771 FFAFTDYPRCXGCS-UHFFFAOYSA-N 359.897 5.065 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccsc1 24963986 GRIIZBNUOFQSIE-UHFFFAOYSA-N 369.396 5.412 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccco3)Cc3ccco3)oc2c1 27994675 NSLJZTCAZJXUOJ-UHFFFAOYSA-N 363.413 5.387 0 40 FKAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29504770 GWWAJDJJTIRHDR-UHFFFAOYSA-N 352.409 5.068 0 40 FKAB O=C(/C=C/c1ccc(Br)cc1)N(Cc1ccco1)C1CCCC1 48313603 JUEYMFCOHCXVEL-FMIVXFBMSA-N 374.278 5.027 0 40 FKAB Clc1c(CN[C@H](c2ccccc2)c2ccncc2)sc2ccccc12 61015914 ZCZXDCNCGPLOOY-OAQYLSRUSA-N 364.901 5.829 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 78458876 OULXLMOUFRGQTK-RTBURBONSA-N 353.506 5.380 0 40 FKAB Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 84617134 LJRQTMNDYRMPOR-UHFFFAOYSA-N 369.173 5.843 0 40 FKAB CC[C@H](C)N1C(=O)CC[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 85430316 JMUTXESOAZLSHB-YWZLYKJASA-N 362.473 5.306 0 40 FKAB CCSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(O)CC(C)(C)CC1=N2 102611886 ZRIYMUUNZRVEJT-CQSZACIVSA-N 374.535 5.068 0 40 FKAB O=C(Nc1cccc(Br)c1)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 103116844 KVFSWFSBUJJKAD-NZJTVPFUSA-N 374.322 5.716 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1 107293782 DHIFFGBDJHYTLH-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB CCCCCCSc1sc(=S)sc1SCCCCCC 116779636 YOJJMSTTXDSWNE-UHFFFAOYSA-N 366.708 7.884 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914786 ZKGCEXPUCJDWMB-UHGLDHFZSA-N 374.565 5.715 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](N5CCCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118925796 CKLNKKSOWCISAB-OPKHLUCYSA-N 359.598 5.245 0 40 FKAB O=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1c1cccc(Cl)c1 210200472 OVBIMSABJYLIBX-RIYZIHGNSA-N 368.216 5.373 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 215986590 XMZJVLFSRNTRBN-QHCPKHFHSA-N 355.437 5.789 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccco2)CC1 219434145 RIMXSOTTZYSZDX-HNNXBMFYSA-N 370.396 5.011 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1 224607217 AQBMGIAQFNAZJG-INIZCTEOSA-N 359.425 5.609 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 225321824 KMWBFXYNOVRLRN-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 225510535 KUOBAJIVSMLWSL-HXUWFJFHSA-N 368.452 5.349 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c1 225533533 SOELTNOIMPYPIS-QGZVFWFLSA-N 373.924 5.288 0 40 FKAB CC(C)c1ccc2oc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)nc2c1 226280979 UERCTILLIDAYLD-UHFFFAOYSA-N 362.351 5.143 0 40 FKAB Clc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1 226294866 LYJAGPZDXXYMEQ-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB CCc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 408620783 KABVAVZTEBTNMO-UHFFFAOYSA-N 368.889 5.182 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)c1 408622721 RCRWIAKFJHDLMB-UHFFFAOYSA-N 368.502 5.362 0 40 FKAB Cc1ccc(-c2cc(C)nc(SCc3cccc4ccccc34)n2)cc1 409386458 UCRKTHXZQXEMSR-UHFFFAOYSA-N 356.494 6.206 0 40 FKAB CCOc1ccc(C(=O)Oc2ccc(Sc3ccc(O)cc3)cc2)cc1 1017081 GINZKZVHGTWIJH-UHFFFAOYSA-N 366.438 5.161 0 40 FKAB Cc1ccc(S[C@H](CC(=O)c2cccs2)c2ccc(F)cc2)cc1 1463232 AYQSPQMSHJHBMQ-HXUWFJFHSA-N 356.487 6.302 0 40 FKAB Fc1ccc(-c2csc3ncnc(SCc4ccccc4F)c23)cc1 1915580 NIXYUNIRYPSEMP-UHFFFAOYSA-N 370.449 5.929 0 40 FKAB CCCC1CC(C(=O)Oc2ccc(-c3ccc([C@H](C)CCC)cc3)cc2)C1 2049272 MEOMGKAKGDOFFF-MVBMGLOESA-N 364.529 6.989 0 40 FKAB Cc1c(-c2cc(=O)oc3cc4c(cc23)CCCC4)oc2ccc(Cl)cc12 2103462 CGSZTQZANZTHPY-UHFFFAOYSA-N 364.828 6.047 0 40 FKAB biogenic CC(C)Oc1ccc(CNCC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 2432473 XSQWQHCMNCZHKU-RBBKRZOGSA-N 361.570 5.431 0 40 FKAB CSc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104483 IIDBLBBIWJISGY-UHFFFAOYSA-N 358.919 5.811 0 40 FKAB O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(C2CCCCC2)cc1 3309313 HTWMKBQYSZYBGR-UHFFFAOYSA-N 373.452 5.322 0 40 FKAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3Cl)s2)c(C)c1 4070360 LWSNNTJSEPJERP-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB CCCCCCC1CCC(C(=O)Oc2ccc(C(=O)OCC)cc2)CC1 4076235 IQICIABYJSFWLO-UHFFFAOYSA-N 360.494 5.546 0 40 FKAB CC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(Cl)c1 4106622 XIPHWCQTXOLXKZ-UHFFFAOYSA-N 369.877 5.021 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 4854070 NBWACJFKJHKFSM-FYYLOGMGSA-N 374.871 5.891 0 40 FKAB Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 5485236 KWZITGFDRCTTQD-YLJYHZDGSA-N 360.457 5.489 0 40 FKAB Cn1c(Cc2cccs2)nnc1SCc1c(Cl)cccc1Cl 5579932 PORGCSLRRIARHD-UHFFFAOYSA-N 370.330 5.067 0 40 FKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 6423007 CWFCDQBMJPUWGJ-UHFFFAOYSA-N 360.240 5.468 0 40 FKAB COc1ccc(-c2nc(CSc3nc4ccccc4s3)cs2)cc1 6608686 SZCPZXJRCYSBPO-UHFFFAOYSA-N 370.524 5.721 0 40 FKAB CCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 6617345 NXPKUEPJVPSWIF-UHFFFAOYSA-N 374.234 5.155 0 40 FKAB O=C(CCc1ccco1)Nc1ccc(Cc2nc3ccccc3s2)cc1 6880372 BJAFBTUCPXWJML-UHFFFAOYSA-N 362.454 5.051 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 6965730 RMRGJNHIRIDFQP-GEQKSPFYSA-N 355.437 5.673 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 17074050 FTVAXQCVNUUPPS-UHFFFAOYSA-N 358.872 6.477 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 20039965 MKPOIMOKRFLVRI-UWJYYQICSA-N 353.506 5.327 0 40 FKAB CC(C)C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 20458345 FVLKSHZDIPGZGW-HXUWFJFHSA-N 359.897 5.403 0 40 FKAB Brc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1 22460355 AARGIKWFNRESSL-UHFFFAOYSA-N 360.254 6.331 0 40 FKAB Cc1cccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 27024414 PUENIDHPJPZMOR-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB CSc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 33518423 PRYFKGVGVWXIJJ-OWBHPGMISA-N 355.484 5.424 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 44849227 DULXOMHJTHBDDX-AWEZNQCLSA-N 366.288 5.002 0 40 FKAB C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc21 58368847 NJGGWTWZGZJFIG-OAHLLOKOSA-N 365.404 5.152 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2C2=CC[C@H]3C[C@H]2C3(C)C)cc1 101801894 JUMPFDJZPKCJOO-ZAOYMGCJSA-N 374.484 5.086 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1Cl 113932555 CZVDQEIROMVSPL-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB O=C(CCc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 170211763 BPYSZEVCZKYFEU-UHFFFAOYSA-N 363.888 5.502 0 40 FKAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)c(C)c1 218926201 FNZWANLRYNOODH-LJQANCHMSA-N 359.897 5.220 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)c(C)c1 219299471 BOEIUUUWTFMDIV-NQIIRXRSSA-N 353.506 5.462 0 40 FKAB C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc2c(c1)CCC2 223155271 ZHQUWDFRIFKSRF-CSUZIONRSA-N 357.453 5.186 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1C(C)C 223265066 IGDYPGCXVSNCFR-KXKDPZRNSA-N 355.453 5.157 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 223688924 CHRKIAGKXFFWLE-LJQANCHMSA-N 367.533 5.370 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224143690 KGXXWDPHCKBGLF-UHFFFAOYSA-N 359.425 5.692 0 40 FKAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1C(C)C 224226219 CMXFRVBEZKGLCX-UHFFFAOYSA-N 367.489 5.070 0 40 FKAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Sc1ccc(Cl)cc1 225092173 DXFZURXMZNFHMJ-CQSZACIVSA-N 361.677 5.435 0 40 FKAB O=C(Cc1ccccc1Cl)Nc1ccccc1Sc1ccccc1 225436556 OVPGHOPDIUNFPG-UHFFFAOYSA-N 353.874 5.672 0 40 FKAB COc1cc2c(cc1C)-c1[nH]c(=Nc3cccc(Cl)c3)sc1CC2 408879497 DTSKCKHDOXSSRY-UHFFFAOYSA-N 356.878 5.045 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)cc(Cl)c1O 813249 LTAXAERGMAITMI-UHFFFAOYSA-N 351.016 5.258 0 40 FKAB Cc1cccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c1C 1064317 UAYSQJFVCBYQOC-DXCFNAGXSA-N 367.492 5.785 0 40 FKAB CC(C)(C)c1ccc(CN2C(=O)CCSc3ccc(Cl)cc32)cc1 1392662 ICTCBSAXLSCYPE-UHFFFAOYSA-N 359.922 5.667 0 40 FKAB Clc1ccc(-c2cc(COc3cc(Cl)cc(Cl)c3)on2)cc1 1393820 BDRKBWXKIUCXHO-UHFFFAOYSA-N 354.620 5.881 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Cl)cc1 1441154 HJUXEPTZAHVQFY-OAHLLOKOSA-N 369.342 5.438 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1C 1514466 NQBGLUNAMAFPMG-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(C)C)sc2c1 2366848 HSMQOBDKVWTWFT-UHFFFAOYSA-N 356.516 5.605 0 40 FKAB Fc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(F)c4)cc2-3)cc1 2687725 BAVCOLWVLPREQQ-UHFFFAOYSA-N 371.390 5.530 0 40 FKAB CCCCSc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1 4689830 BDWRJZBJAQDIKI-UHFFFAOYSA-N 369.939 5.174 0 40 FKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1C1CC1 5333384 CPTPDVPXGMHGHA-UHFFFAOYSA-N 359.857 5.365 0 40 FKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c(OC)c1 5405036 MPADNYNKBQCORA-JLHYYAGUSA-N 365.454 5.084 0 40 FKAB COc1ccc2cc(/C=C(\CC(=O)O)c3nc4ccccc4o3)ccc2c1 7001014 SZLFUUPKONJKNE-GZTJUZNOSA-N 359.381 5.005 0 40 FKAB C[C@@H]1CCCC[C@@H]1NC(=S)N(C)C(c1ccccc1)c1ccccc1 7637409 HUWABKCWWUAPQK-XLIONFOSSA-N 352.547 5.161 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2cccc(C)c2)cc1 8318211 QOYJQLNABHTVCE-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1cccs1 10423289 GGZZSFNDJWOGKA-UHFFFAOYSA-N 369.396 5.412 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-c1ccccc1 10670463 ALALDMWWVLFBLN-HNNXBMFYSA-N 351.833 5.413 0 40 FKAB C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1ccc2c(c1)CCCC2 12693187 UTHKXZLOEAWGCM-JTQLQIEISA-N 354.302 5.425 0 40 FKAB C[C@H](SCc1ccc(F)cc1Cl)C(=O)Nc1cc(F)ccc1F 15492354 QSVJIJPKCPVJGH-VIFPVBQESA-N 359.800 5.018 0 40 FKAB COc1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)c2ccc(C)cc2)cc1 16292139 JYDXDVGMCKUTLB-QHCPKHFHSA-N 359.469 5.738 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 22150722 VBHJAWFZVHZDSF-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB O=C(CCc1ccc(F)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 24385784 NKAKGNYOXALFJL-SFHVURJKSA-N 368.477 5.122 0 40 FKAB Cc1ccccc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 27793596 VPPFVYSTHRZLBK-NRFANRHFSA-N 354.453 5.038 0 40 FKAB Cc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1 28287350 UNTGWWCQNGNDDP-UHFFFAOYSA-N 370.452 5.600 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)cc1 36613326 DECFRJXPQXIROL-UHFFFAOYSA-N 357.379 5.125 0 40 FKAB CN(Cc1ccsc1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44775002 MYKTZCYPIRITIZ-HOTGVXAUSA-N 368.527 5.066 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 44883041 LHNFUEXCQGKGSI-UHFFFAOYSA-N 370.496 5.625 0 40 FKAB COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 58160004 OTMOFBMASGGYGG-MSOLQXFVSA-N 374.484 5.040 0 40 FKAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 71280987 KQGRNISKWUZSLE-AWEZNQCLSA-N 355.825 5.501 0 40 FKAB CCc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)cc1 72229172 XTCZXSQIPVFENK-CQSZACIVSA-N 371.912 5.116 0 40 FKAB CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](Cc1ccc(C)cc1)C1CC1 72303892 ZJHZBYKPBHHCKO-QFIPXVFZSA-N 364.489 5.073 0 40 FKAB COc1ccc(O[C@@H](C(=O)Nc2cccc(C)c2C)c2ccccc2)cc1 80344408 VBULVWRWZKRFGW-JOCHJYFZSA-N 361.441 5.071 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 137655989 UNJQRCXVHBZVTM-JSIIKIRASA-N 351.534 5.479 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 216320662 XXAFKAVEIOLBAY-KRWDZBQOSA-N 368.329 5.523 0 40 FKAB Cc1cc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)ccc1Cl 225082840 KRVHQFZOSKFYHT-CQSZACIVSA-N 359.636 5.030 0 40 FKAB CC(C)c1ccccc1O[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225085781 LZKGSSAXXZCSMY-KRWDZBQOSA-N 353.245 5.192 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225748897 BVXHFXMIYQUQEW-QFIPXVFZSA-N 361.526 5.712 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c(Cl)c1 408622691 QOYKPBDVWUKWGO-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB Clc1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 409190881 AIYPDGSYVJVVDZ-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB O=C(NCCSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1 409411744 KUTUGYUNSFGYQB-UHFFFAOYSA-N 373.280 5.187 0 40 FKAB Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)c1 649693 DDQPOCYPJMXUML-DEOSSOPVSA-N 366.464 5.264 0 40 FKAB biogenic O=C(CSCc1c(F)cccc1Cl)Nc1ccc(F)c(Cl)c1 1037960 JHBPQHKGWKVVNA-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB O=C(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 1236014 NGNPHNWIFLLNLJ-ONTIZHBOSA-N 353.893 5.442 0 40 FKAB CCc1cc(=O)oc2cc(OC/C=C(/C)CCC=C(C)C)c(Cl)cc12 2134072 PQECBVKUBWAOII-DHDCSXOGSA-N 360.881 6.080 0 40 FKAB biogenic CC(=O)Oc1c(C(C)(C)C)ccc2c(OC(C)=O)c(C(C)(C)C)ccc12 2299663 XUSPENLNBJTQMQ-UHFFFAOYSA-N 356.462 5.285 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1OC 2367482 BHNNRUKFZQHGMO-UHFFFAOYSA-N 355.437 5.894 0 40 FKAB CC[C@H](C)c1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 2427721 KGTRBJVSNCWKNI-INIZCTEOSA-N 355.441 5.998 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1OC(F)F 2651095 NMANXEVSCFHJDL-UHFFFAOYSA-N 353.368 5.131 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1OC(F)F 2652551 OIPKKDMTPLSGPZ-UHFFFAOYSA-N 355.340 5.333 0 40 FKAB Cc1cc2occ(CC(=O)N[C@@H]3CCCc4ccccc43)c2cc1C(C)C 3298427 SQYPINQCJOOEPM-JOCHJYFZSA-N 361.485 5.601 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(SC(F)F)cc1 3360253 VOXGQHIKMAKQJA-LLVKDONJSA-N 350.459 5.149 0 40 FKAB CCC1(CC)O[C@H](/C(Br)=C/c2ccccc2)Nc2ccccc21 4359630 SZKSLTLEAUBBMJ-RBAUTDOXSA-N 372.306 5.906 0 40 FKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 4995127 WYVDPCNXHHQMFR-OAQYLSRUSA-N 360.844 5.332 0 40 FKAB C[C@H](NC(=O)c1sc2ccccc2c1Cl)C12CC3CC(CC(C3)C1)C2 5517123 RVXGCTNBYKFCAD-PXRHCINRSA-N 373.949 5.889 0 40 FKAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NC2CCCCCCCCCCC2)C1 5523273 JERUTSOCPMTFCI-VQTJNVASSA-N 363.542 5.223 0 40 FKAB Cc1cc(C)c(C)c(COc2ccc3c(C)c(C)c(=O)oc3c2C)c1C 5548299 QPHASOZXVIEEAK-UHFFFAOYSA-N 350.458 5.531 0 40 FKAB O=C(Cc1ccccc1)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 6222915 HYDGAJLFGQZZLQ-UHFFFAOYSA-N 371.461 5.870 0 40 FKAB Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 6504393 XAHOPCMASGRTIR-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N1CCCc2ccccc21 6586847 DZBNACOQUNXXRG-MRXNPFEDSA-N 371.436 5.333 0 40 FKAB CC(=O)Nc1ccc(NC(=O)/C=C/c2sc3ccccc3c2Cl)cc1 7061253 PRWMPXVVVNFXRT-ZHACJKMWSA-N 370.861 5.165 0 40 FKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 7375664 DBYIZISWDYZEKG-AWNIVKPZSA-N 365.860 5.652 0 40 FKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc2ccccc2o1 7688208 RMVHOWNNTLIEAK-UHFFFAOYSA-N 359.410 5.061 0 40 FKAB CCc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 8086754 FVUKFOMPTITYPZ-UHFFFAOYSA-N 355.821 5.327 0 40 FKAB CCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C(C)C 9059709 VXCLMISZRJIVLS-UHFFFAOYSA-N 352.482 5.043 0 40 FKAB Cc1cccc(Cc2cnc(NC(=O)Cc3c(F)cccc3Cl)s2)c1 12586550 XVUOLJLPGHZKOS-UHFFFAOYSA-N 374.868 5.016 0 40 FKAB O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cc2ccccc2o1 12725792 XAGWJTFMBFGKHJ-UHFFFAOYSA-N 353.761 5.098 0 40 FKAB CCC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 12798036 JGAKOICSNCZSLJ-INIZCTEOSA-N 356.516 5.072 0 40 FKAB O=C(CCCc1cccs1)N1Cc2ccccc2[C@H](c2ccccc2)C1 12801613 XSCBUAHKPOTRGO-QFIPXVFZSA-N 361.510 5.245 0 40 FKAB Cc1cc(=O)c2c(o1)-c1ccccc1[C@H](c1ccccc1)c1ccccc1-2 17314913 RVWSLRHXXASKAQ-HSZRJFAPSA-N 350.417 5.776 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 19894062 MYQFBGHPHFPANB-JLHYYAGUSA-N 373.843 5.535 0 40 FKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc2ccccc2o1 20139664 ABLLJNNSDWVXGK-UHFFFAOYSA-N 367.788 5.091 0 40 FKAB CCOc1c(Cl)cc(Cl)cc1CNCCc1c[nH]c2ccccc12 22074818 BLFYPVABDSNGOG-UHFFFAOYSA-N 363.288 5.206 0 40 FKAB Cc1ccccc1[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 24755976 YZZPBZMOXKILEF-KRWDZBQOSA-N 353.516 5.303 0 40 FKAB CCOc1ccc([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)cc1 28962787 SYZYEEBRZXEETC-OAQYLSRUSA-N 366.436 5.217 0 40 FKAB Cc1ccccc1CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 38652120 FDIJDUIHYYAFJF-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 44938695 QKVUQKJQSMJSIF-UHFFFAOYSA-N 368.546 5.427 0 40 FKAB Cc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1C 46914217 DTXIAQUQAVHSPK-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(SCc2cccnc2)cc1 76021985 NQQYRHYGXFMTSS-SJORKVTESA-N 354.519 5.025 0 40 FKAB O=c1ccc2ccc(Cl)cc2n1-c1ccc(O)c(Oc2ccccc2)c1 95726760 XCTDFSSYMGKGKA-UHFFFAOYSA-N 363.800 5.142 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3c[nH]c4ccccc34)C2=C(O)C1 104104523 YNZRTRWTGXGKNE-QFIPXVFZSA-N 357.457 6.039 0 40 FKAB C[C@@]12C(c3ccccc3)=C(c3ccccc3)[C@H](c3ccccc31)[n+]1ccccc12 104137499 IHHJUAPMWDWYNN-WUFINQPMSA-N 372.491 5.808 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2C(C)C)C1 118931918 BZAWVWWSERJTFM-NQQYONMLSA-N 360.582 6.233 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222797556 SAOUBGUXZJHGMU-FQEVSTJZSA-N 369.917 5.680 0 40 FKAB CCCCOCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OCC 224733341 BJXDQUPJJWNCCR-MRXNPFEDSA-N 373.468 5.032 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Sc1ccc(Cl)cc1 225089435 MKAVWKYXTQSEJO-AWEZNQCLSA-N 361.677 5.435 0 40 FKAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 225362116 OFSCYBAXWCFXPU-VWLOTQADSA-N 373.496 5.150 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1c(Cl)cccc1Cl 225363222 JQUOOCWPXBINHT-UHFFFAOYSA-N 356.680 5.238 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225513871 MZMONLGUYKUAHU-LJQANCHMSA-N 365.517 5.931 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(F)c2)c2ccccc2)c(C)c1 225768041 ACNTULPZGZKFKB-NRFANRHFSA-N 364.489 5.519 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769914 MBUMAZPMJILYJY-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CC(C)(C)c1ccc(OC(=O)NC(=S)c2cccc3ccccc23)cc1 408733072 VRJSHKQUJQGNGN-UHFFFAOYSA-N 363.482 5.601 0 40 FKAB O=C1/C(=C/C2=Cc3ccccc3OC2)c2ccccc2N1c1ccccc1 409198875 GDERHQXYILBNKZ-RCCKNPSSSA-N 351.405 5.224 0 40 FKAB CC1(C)C[C@]2(CCCN2C(=O)CC2CCCCC2)CN1c1cccc(F)c1 1615124400 WUOQPWLHYCPBGN-HSZRJFAPSA-N 372.528 5.146 0 40 FKAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2C(C)C)cc1OCC 1780497 LHQPDRMINKVMSD-WYMLVPIESA-N 354.446 5.226 0 40 FKAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)c1ccccc1 2151341 YPLIABLCDUNQCN-INIZCTEOSA-N 370.404 5.110 0 40 FKAB biogenic Cc1ccc(C)c(-c2[nH]c(-c3ccc(C(C)C)cc3)nc2-c2ccccc2)c1 2310435 GHHSFZWQOYSXRP-UHFFFAOYSA-N 366.508 7.151 0 40 FKAB Fc1ccccc1-c1nc2nc3ccccc3nc2n1CCC1=CCCCC1 2367976 ORCJDUPKQRBYKS-UHFFFAOYSA-N 372.447 5.676 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1Cl 3430698 RBPXWONZHUILLL-UHFFFAOYSA-N 369.795 5.504 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 4163685 KQEBZGUBLQTSHP-UHFFFAOYSA-N 370.408 5.090 0 40 FKAB Cc1[nH]nc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1ccccc1 5248789 VWCOTWLZKURMBJ-UHFFFAOYSA-N 374.415 5.476 0 40 FKAB CC(C)(C)c1cc(C2=NO[C@@H](c3ccccc3)C2)cc(C(C)(C)C)c1O 5477669 NUWRJLYOUCYJJM-HXUWFJFHSA-N 351.490 5.853 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 6273796 HPOVOXCOXBXAPV-UHFFFAOYSA-N 367.367 5.145 0 40 FKAB COc1cccc(C(=O)Nc2cccc(Oc3ccc(Cl)cc3)c2)c1 6490774 CJUIIYIZDQVFSM-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB CCOc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OCC 8324846 FYIZGXROMGTPAC-FKANHJMESA-N 357.538 5.323 0 40 FKAB COc1cc(CNC2CCCCC2)ccc1OCc1cccc(Cl)c1 8471883 UUTKSPXBNKSPGP-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB CN(C(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(O)cc1 8687768 IUNQWNQPBQOBMS-UHFFFAOYSA-N 350.443 5.018 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 11666857 VFXDUTKFHIYLQT-UHFFFAOYSA-N 367.876 6.295 0 40 FKAB O=C1C[C@H](c2cccc(OCc3cccc(Cl)c3)c2)c2sccc2N1 12428713 FAGNKRMYFJXJBC-QGZVFWFLSA-N 369.873 5.455 0 40 FKAB CO[C@]1(C)Oc2cc3c(cc2[C@@H](c2cccc4ccccc24)[C@@H]1C)OCO3 12857511 SONOGXSWMVNWJK-NYDQNWGQSA-N 362.425 5.092 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 13992581 UNCDRGDZJMRHOJ-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c3c(cccc13)CC2 14227795 RNDOPLMBTHYLJM-UHFFFAOYSA-N 353.824 5.003 0 40 FKAB CCCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 15841163 SDSJKWBMQXYYNT-UHFFFAOYSA-N 368.864 5.248 0 40 FKAB O=C(c1ccccc1)c1c(NCc2cccs2)ccnc1C(F)(F)F 27062495 KDNREZXSOOTOFD-UHFFFAOYSA-N 362.376 5.005 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838240 STRMCCQLIQWBOY-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1cc2[nH]c(-c3cccc4c(Br)cccc34)nc2cc1Cl 73639196 YPGMTKQYNJAWII-UHFFFAOYSA-N 371.665 6.107 0 40 FKAB FC(F)(F)c1cc(Cl)nc(NC(=S)Nc2ccc(Cl)cc2)c1 91695200 WBQLXKNYIZVDKC-UHFFFAOYSA-N 366.195 5.216 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4C[C@H]5CC[C@H]4C5)cc3)sc2c1 102611640 UVHJYUXCTGXORP-ZVZYQTTQSA-N 362.498 5.646 0 40 FKAB C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 105762694 VWYRUAJOAWWHQP-AYGWYOGXSA-N 351.874 5.248 0 40 FKAB C[C@H](Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)O 118076338 IQMQCXUUGKFKPR-QMMMGPOBSA-N 361.608 5.291 0 40 FKAB Brc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1 199826259 QHJKZNFSXNIZBH-UHFFFAOYSA-N 367.290 5.047 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)c(C)c1 222693379 FXKNRSDTKGYCPH-INIZCTEOSA-N 361.938 5.707 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CSc2ccc(C)cc2)c2ccccc2O1 223193899 DRSUFQABMDZRPI-IBGZPJMESA-N 369.530 5.286 0 40 FKAB CC(C)C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225355854 WAUZCPXOIWGUKC-IBGZPJMESA-N 364.316 5.830 0 40 FKAB CCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@@H](C)C1 225717638 ODEJGTGAUIKRCB-OPAMFIHVSA-N 359.510 5.240 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)c(Cl)c2)C(C)C)c(C)c1 225764687 LXBSWEWMOJEEDS-GOSISDBHSA-N 364.917 5.780 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cn1 225860383 MCNWLLLWBYZWHW-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB CCc1nc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2n1C 225896822 RZWVSIIGFCAIIU-UHFFFAOYSA-N 371.440 5.180 0 40 FKAB S=C(NCCCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 242762062 DMYUKODOXVGRTQ-UHFFFAOYSA-N 361.514 5.349 0 40 FKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccccc1 408628918 YDQVUNQXCOMMDI-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408718606 IQRAVIRFNQGTPL-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CC/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238394 PCFLWNUQAQQXOU-HBFCSBFFSA-N 358.566 6.297 0 40 FKAB CCN(CC)C(=S)SCc1c(C)c(C)c(Br)c(C)c1C 713616 NBZUCMORUIQQPI-UHFFFAOYSA-N 374.413 5.543 0 40 FKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 1015338 DTFCRVAPEUHXJM-AATYUJHQSA-N 367.492 5.805 0 40 FKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1Cl 1778876 GRJPTMRHXDVYLG-INIZCTEOSA-N 366.844 5.518 0 40 FKAB Cc1cc2oc(=O)c(-c3cccc(Br)c3)c(C)c2cc1Cl 2529936 FOALETLWRJRCCC-UHFFFAOYSA-N 363.638 5.493 0 40 FKAB biogenic C[C@H]1CCc2c(sc3ncnc(SCc4ccc(Cl)cc4)c23)C1 2679475 YTTFMFMKDIOUFH-NSHDSACASA-N 360.935 5.762 0 40 FKAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)O1 3058484 ZOPSSVKNJXPOEG-UXHICEINSA-N 370.876 5.811 0 40 FKAB CC(C)c1ccc(Nc2nnc(SCc3ccccc3F)s2)cc1 3283657 JTWMKBIMGYUKGR-UHFFFAOYSA-N 359.495 5.837 0 40 FKAB CCc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 3327581 KQVJLWZMLDVQTK-CHWSQXEVSA-N 366.288 5.201 0 40 FKAB CCOc1ccc(OCC)c(Nc2ncnc3sc4c(c23)CCCC4)c1 3340044 VHZWZYMEAQSSQB-UHFFFAOYSA-N 369.490 5.111 0 40 FKAB Cc1sc2ncnc(Oc3ccc(F)cc3Br)c2c1C 3431227 UEVLCCCEEPJZQQ-UHFFFAOYSA-N 353.216 5.002 0 40 FKAB c1ccc2c(C(c3ccc4c(c3)OCO4)c3c[nH]c4ccccc34)c[nH]c2c1 4159150 WIBZMRRXTPDBLD-UHFFFAOYSA-N 366.420 5.558 0 40 FKAB CC(C)(C)c1cc(CC(=O)Nc2ccc(F)cc2F)c2c(c1)C(C)(C)CC2 4575872 QONWODNTBPWUAF-UHFFFAOYSA-N 371.471 5.667 0 40 FKAB Cc1cccc(Oc2ccc3[nH]c(C(=O)NCc4ccccc4)cc3c2)c1 4702625 YJIUKQMRXPIQEU-UHFFFAOYSA-N 356.425 5.199 0 40 FKAB Cc1ccc2c(c1)cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2C 4711995 IBVQQRHVSDVRDX-UHFFFAOYSA-N 356.425 5.531 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cccc(C)n23)cc1C 4733529 KKNZWXZFONZXKK-UHFFFAOYSA-N 366.468 6.151 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 5418225 BLQQANOVYWBZAO-QIJUGHKUSA-N 360.538 6.263 0 40 FKAB CC(C)Oc1ccc([C@H](CCNCc2ccco2)c2ccc(F)cc2)cc1 5477662 LCVKZCNJUUSFRD-HSZRJFAPSA-N 367.464 5.518 0 40 FKAB FC(F)(F)c1cccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)c1 5756901 IJIZKAJGBGFITL-SNAWJCMRSA-N 351.677 5.943 0 40 FKAB CC[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 5901777 PFCCXWOYRUCPOX-HNNXBMFYSA-N 357.457 5.220 0 40 FKAB biogenic CCCCC1=N[C@@H]2Sc3c(NCC(C)C)ncnc3[C@H]2C2=C1CCC2 6309858 SUEYEKHOZVQLKN-OXQOHEQNSA-N 356.539 5.185 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)CC(C)C)c3)nc2c1 6449728 BKSPLOWXAORGEY-HNNXBMFYSA-N 350.462 5.993 0 40 FKAB CC[C@@H](C)c1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1 6518454 CPHHXVCQPGCVPA-NOCBQHASSA-N 356.579 5.703 0 40 FKAB C[C@@H](c1nc2ccccc2n1C(F)F)N(C)Cc1nc2ccccc2s1 12553747 OYJLLEYKPOBSAU-LBPRGKRZSA-N 372.444 5.234 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3ccco3)c2C1)CC[C@H](C)C4 12610187 QVYMBIMOWWZZOU-KBPBESRZSA-N 351.515 6.196 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1CCc1ccccc1 13688421 USUSEFQFCVJPQX-HXUWFJFHSA-N 357.497 5.223 0 40 FKAB SC1=N[C@@H](c2ccccc2)C2=C(N1)C(=C1SCCCS1)CCC2 13878972 JWZHTJMCSZBAJI-HNNXBMFYSA-N 360.573 5.136 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 14495819 HUVXDEZFCOHKSH-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB COc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1Cl 15710428 STBIWIRHHKQUMW-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB Cc1ccc([C@H](C)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 17319593 OGQWQIYAMYCRBZ-IBGZPJMESA-N 371.484 5.351 0 40 FKAB C[C@@]12CC3CC(C(=O)Nc4nc5ccc(Cl)cc5s4)(C1)C[C@](C)(C3)C2 20502890 NLPOOMAJTAGYNG-UWMIKVSISA-N 374.937 5.885 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccccc1F 22072746 MSAXNOUMQCSFLD-UHFFFAOYSA-N 359.763 5.009 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@H](C)C5)CC[C@H](C)C3)c1 23292908 PBZATMMGISRVBB-HOTGVXAUSA-N 361.554 6.521 0 40 FKAB C[C@H](CC(=O)O[C@H](c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1 58161573 KFWPKKMSWCBNTJ-QRQCRPRQSA-N 367.395 5.186 0 40 FKAB COc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 84195483 LYPHBADVJJZLND-UHFFFAOYSA-N 359.429 5.061 0 40 FKAB CCCC[C@H](CC)C[C@H](CC)CNC[C@@H](CC)C[C@H](CC)CCCC 96191798 TUWPUFVJJBETKM-KIHHCIJBSA-N 353.679 7.841 0 40 FKAB C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 105762699 VWYRUAJOAWWHQP-YAMSLAJTSA-N 351.874 5.248 0 40 FKAB COc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 107039437 OKLSMZQGAOIOME-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 141029191 PSHDEFOHPJFDLW-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222963796 YWQUVJGTSKCPCF-RXVVDRJESA-N 367.533 5.636 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1C(C)C 223319298 NTOICUMCTIZWHK-ROUUACIJSA-N 369.505 5.080 0 40 FKAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225620393 XJAMOBATUKELNY-JOCHJYFZSA-N 355.478 5.108 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C)c1 225652699 LDOAIYUNISKXNJ-QFIPXVFZSA-N 363.542 5.878 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(N)c1 226348962 FQKAMECTCMMSDP-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2cccc(C(=O)O)c2)c1 257341173 ZJCOPPDVQWZOPR-LJQANCHMSA-N 367.445 5.124 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2-c2ccc(C)cc2)cc1 408725328 OATRSXNPCKQQOY-UHFFFAOYSA-N 373.500 5.219 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409117331 XKUNBHDOEQVIBB-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Oc3cccc4ccccc34)cc2)c1 409172397 HDPRTKPAYPLRPO-UHFFFAOYSA-N 368.432 5.946 0 40 FKAB Clc1ccccc1[C@H]1CC(c2cccs2)=Nc2ccccc2S1 666515 DKZBDAGBXTZEOE-LJQANCHMSA-N 355.915 6.759 0 40 FKAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC2c3ccccc3C1c1ccccc12 825291 BEBOOZPBGCKVKJ-ATKRNPRHSA-N 359.856 5.576 0 40 FKAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2OCC)cc1 2117386 IQNAUXFELHTOQP-UHFFFAOYSA-N 366.914 5.020 0 40 FKAB Cc1ccc(C(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 2361566 ZQBYSJBDXLMQIY-UHFFFAOYSA-N 350.468 5.146 0 40 FKAB Cc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)cc3)c2C)cc1 2733327 GWWIYSRPBYVCLZ-UHFFFAOYSA-N 370.471 6.330 0 40 FKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(C(C)(C)C)cc4)c23)cc1 3210424 AWQSPJPDOBQVTK-UHFFFAOYSA-N 374.509 6.757 0 40 FKAB COc1ccc2cc(C(=O)CSc3nc4ccccc4s3)ccc2c1 3287579 VNVGTYHPWBMURM-UHFFFAOYSA-N 365.479 5.433 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCCCC2 3893274 KYDWMWNTRRHDLQ-UHFFFAOYSA-N 371.502 5.063 0 40 FKAB Cc1cccc(NC(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 4071302 QDQMTVXHTQRKNC-UHFFFAOYSA-N 359.454 5.916 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 4316696 CVJDOEFPSWCOHO-UHFFFAOYSA-N 373.481 5.594 0 40 FKAB CCc1cccc(C)c1NC(=S)NCCc1c(C)[nH]c2ccc(F)cc12 4904941 JPIORWPTKXZTLU-UHFFFAOYSA-N 369.509 5.015 0 40 FKAB O=C(CCN1c2ccccc2Sc2ccccc21)NC1CCCCCC1 5688947 OGCGRRKQLTWSRQ-UHFFFAOYSA-N 366.530 5.518 0 40 FKAB CCCCCc1ccc(-c2ccc([C@@H]3CC[C@@H](CCC)[C@H](C)C3)cc2)nc1 6026187 BEBHGHCGTNWFFH-QFZWGZQFSA-N 363.589 7.801 0 40 FKAB c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 6062175 VBOCODNKKAPBAW-UHFFFAOYSA-N 362.436 5.831 0 40 FKAB CCCCc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 6629406 PQEVCRNLNQMDGQ-UHFFFAOYSA-N 368.424 5.737 0 40 FKAB Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1[C@@H](O)CC(C)(C)C2 6669636 SUIWEZWFWVKSDB-ZDUSSCGKSA-N 368.260 5.153 0 40 FKAB C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 7524802 INAAQPQRHSELAX-LRYXAPPNSA-N 369.936 6.295 0 40 FKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1cccc(C)c1 7538106 PYOQORAHBHCFFH-UHFFFAOYSA-N 361.485 5.181 0 40 FKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3)cccc2c1=O 7609356 ZNUUGJWRNKBTMD-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB COc1ccc(NC(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 7847296 BCRJBSLQKABXKL-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB COc1cccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 8607264 GETPRDHPIZAEBD-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB CCc1ccccc1NC(=O)c1ccccc1SCc1cccs1 8754263 HZEQWHBPFDNYSK-UHFFFAOYSA-N 353.512 5.855 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(N[C@H](C)c3ccccn3)c2c1C 12595910 RYOOKTRLUJMBTO-GFCCVEGCSA-N 366.515 5.605 0 40 FKAB Cc1ccc([C@H]2CN(c3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)cc1 12954683 QZYGLNHINUUFHC-DHIUTWEWSA-N 359.444 5.237 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3ccc(F)cc3F)cs2)c1)C1CC1 12977727 GSHUCRDSIPCUFX-UHFFFAOYSA-N 356.397 5.104 0 40 FKAB C[C@H](Sc1ccc(F)cc1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 14169377 XOSSUTHRBQMJGZ-JTQLQIEISA-N 372.446 5.237 0 40 FKAB CCCCC/C=C\C/C=C/CCCCCCCC(=O)NC1CCCCC1 14616242 OFSPDNIHQQKLPZ-IXWMQOLASA-N 361.614 7.249 0 40 FKAB C/C(=C\c1ccccc1)[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15017645 IDYDKUGGKZEUMP-FDFSIDOASA-N 372.493 5.721 0 40 FKAB Nc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1Cl 19736462 IIOOGWJNVVGUMK-UHFFFAOYSA-N 373.667 5.027 0 40 FKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)cc1 22072808 ZUMAJFZTDUFTRM-UHFFFAOYSA-N 365.864 5.854 0 40 FKAB CC(C)c1noc([C@@H](C)Sc2nc(-c3ccco3)nc3ccccc23)n1 24758336 FFJQIWBKWHEIHV-GFCCVEGCSA-N 366.446 5.250 0 40 FKAB Cc1ccc(-n2nc(C)c(NC(=O)Nc3ccc(Cl)cc3)c2C)cc1 24975609 DUKNEQOMBZEOLU-UHFFFAOYSA-N 354.841 5.095 0 40 FKAB Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)c3ccccn3)c(C)c2c1 28251700 FQBKMJMLKCILQG-UHFFFAOYSA-N 360.413 5.193 0 40 FKAB CCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCC(C)(C)CO1 31760242 BNZIKIWRXIXSSB-BENRWUELSA-N 371.348 6.746 0 40 FKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1)[C@@H]2O 36614390 XBBFULYUUHIPON-QKPUKAHCSA-N 374.524 5.606 0 40 FKAB Fc1ccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)cc1 38651613 FGTSXUJYADPMJT-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB CCCCCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 67259024 JNPSDZMVWGRTHW-UHFFFAOYSA-N 372.921 5.532 0 40 FKAB Clc1ccc2c(c1)OCCC[C@H]2NCc1cnc(-c2ccccc2)s1 95460392 NPNZHYIFAYOAMQ-GOSISDBHSA-N 370.905 5.467 0 40 FKAB O=C(Nc1ccc(Br)cc1Cl)c1cccc2c1CCCC2 98073261 FPGSKYIVGOKCTC-UHFFFAOYSA-N 364.670 5.234 0 40 FKAB OC1=C2C(=Nc3ncnn3[C@@H]2/C=C/c2ccccc2)C[C@H](c2ccccc2)C1 102682359 PBEWGUDXKHEQPV-WIMDODNTSA-N 368.440 5.008 0 40 FKAB COc1ccc(C(OC[C@H]2C[C@H]3CC[C@@H]2C3)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 104189102 WGBUGNRGCZHCSG-AOOLVBKBSA-N 370.533 5.599 0 40 FKAB CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1Br 106980285 NTAGPNUZJXEICB-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB Clc1cc(Cl)c2[nH]c(C(c3ccccc3)c3ccccc3)nc2c1 216913703 ADSQTCDBIKXJPF-UHFFFAOYSA-N 353.252 6.050 0 40 FKAB Cc1ccc([C@@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2)cc1 222893868 AHHLHCMQBMJZCW-DEOSSOPVSA-N 369.508 5.713 0 40 FKAB CCc1ccc(CC)c(CNC(=O)c2cccc(OCc3ccccc3)c2)c1 223235721 LMFJYWJOCZUQEY-UHFFFAOYSA-N 373.496 5.320 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2)c1 224085431 VCDKGDJZJSWMFA-UHFFFAOYSA-N 361.441 5.089 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Nc2cccc(Cl)c2)c2ccccc2O1 224377475 DSDFVRUIUHIICW-QGZVFWFLSA-N 358.869 5.544 0 40 FKAB Fc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225606416 NVKKDRYARSSRIB-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(OC(C)C)cc2)C(C)C)c(C)c1 225765880 DZHPZNVMNZDAEO-NRFANRHFSA-N 370.562 5.774 0 40 FKAB CCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)c2ccccc21 409112975 MVTWQARFYRUSLN-QNGOZBTKSA-N 373.452 5.154 0 40 FKAB Cc1ccc(COc2ccc(CNc3cccc(C)c3)cc2Cl)cc1 409113960 HWWPSEYJJSHTFI-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 409121528 WMEOJGOIKKLZIT-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccccc1C[C@@]1(C)CCc2ccc(-c3ccc(C(=O)O)cc3)cc2O1 585265814 QUIZIKQYDLINHE-RUZDIDTESA-N 372.464 5.687 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 864716 LPASEWNHROPXDV-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc(Cl)c1Cl 990297 WHULSCDTVOIXBO-UHFFFAOYSA-N 361.011 5.101 0 40 FKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 1438154 MBWFIMQXLZAZIL-OAQYLSRUSA-N 357.482 5.235 0 40 FKAB CCN(CC)c1ccc(N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 1666868 OEDDKYYTZPXGJB-RPWUZVMVSA-N 360.501 5.420 0 40 FKAB S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 2147480 ADTNKNCYYPRXIW-UHFFFAOYSA-N 366.100 6.109 0 40 FKAB FC(F)(F)c1ccc2c(Sc3nc4ccccc4s3)ccnc2c1 2171308 IDAPZIZBPARQJC-UHFFFAOYSA-N 362.401 6.015 0 40 FKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccco1 2652499 SLFUAUZZDHRRPN-UHFFFAOYSA-N 374.259 5.446 0 40 FKAB Cc1ccc2cc(COC(=O)C3CCC(C(C)(C)C)CC3)c(Cl)nc2c1 3374298 UQYVLWZQQSGWTJ-UHFFFAOYSA-N 373.924 6.092 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-c2ccccc2)cc1 3534404 SGHLITFTQXGWTB-UHFFFAOYSA-N 353.824 5.418 0 40 FKAB Cc1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)cc1 4663488 FOBRTYQDEZJDND-UHFFFAOYSA-N 364.408 5.322 0 40 FKAB O=C(NCc1ccco1)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 4784133 XVNQOVHHSYNNHA-UHFFFAOYSA-N 369.726 5.142 0 40 FKAB CC(=O)[C@H]1c2ccccc2[C@@](C(C)=O)(c2ccccc2)[C@@H]1c1ccccc1 5064139 RNKAQPXYHASEMI-ISJGIBHGSA-N 354.449 5.032 0 40 FKAB CC[C@]1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 5518209 SWRZFJRLMFYCTM-HKUYNNGSSA-N 371.278 5.119 0 40 FKAB CCn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2ccccc21 5526105 WDLZMTVLUHGDBP-UHFFFAOYSA-N 354.519 5.525 0 40 FKAB O=C(c1ccccc1)[C@H](Sc1ncnc2sccc12)c1ccccc1 6115299 GHIWKNXLJNQKIK-GOSISDBHSA-N 362.479 5.408 0 40 FKAB Cc1nc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cs1 7006650 QNJLULPYABWRDS-UHFFFAOYSA-N 367.474 5.493 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(F)(F)F)c1 7208937 WRYNQSRRFXMHGN-UHFFFAOYSA-N 353.409 5.194 0 40 FKAB c1ccc2sc(CN3CCC[C@@H]3c3nc4ccccc4s3)nc2c1 8428913 YXHCUZOTKSENSR-OAHLLOKOSA-N 351.500 5.243 0 40 FKAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 9935280 FDZNCKCDSBLRCI-OAHLLOKOSA-N 363.848 5.095 0 40 FKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3Cl)cc2)cs1 12565052 HBCABBLCSLQIFK-LBPRGKRZSA-N 371.893 5.211 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 12901538 MVFCEDOXDQGCSX-UHFFFAOYSA-N 371.836 5.452 0 40 FKAB Cc1cccc(OCCS[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 15492293 CGQNFARJQZSBFW-OAHLLOKOSA-N 363.910 5.096 0 40 FKAB Cc1nc2cc(NC(=O)c3ccc(-c4ccccc4Cl)o3)ccc2o1 15599053 FXDQQRXFSBTQPX-UHFFFAOYSA-N 352.777 5.302 0 40 FKAB Cc1cccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 17074371 ZDUFAQXXWXZAJO-UHFFFAOYSA-N 361.224 5.919 0 40 FKAB CN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CCCCC1 20454281 ZSFUTHVNFXZZCF-UHFFFAOYSA-N 373.949 6.037 0 40 FKAB Cc1ccccc1CSc1nnc(-c2ccc(Br)cc2)o1 21146986 XJTOFHJFZBYUEE-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB O=C(SCc1ccccc1CSC(=O)c1ccco1)c1ccco1 26891910 RVFZPEPVUWGWOY-UHFFFAOYSA-N 358.440 5.020 0 40 FKAB O=C(c1ccccc1-c1ccccc1)N(Cc1ccccn1)Cc1ccco1 35315224 RKRATBIQFQFFDP-UHFFFAOYSA-N 368.436 5.184 0 40 FKAB OC1=Nc2ccsc2[C@@H](c2cccc(OCc3ccccn3)c2)SC1 71281404 UKNUWTKPXWTBFK-GOSISDBHSA-N 368.483 5.146 0 40 FKAB Cc1nc(-c2noc3ccc(C(=O)Nc4cccc(Cl)c4)cc23)cs1 96037852 PUUWZDNFCQQBHH-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB CC(C)[C@]12CC[C@]3(CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]3C1)[C@H](CN)C2 100133294 CFSIKOAGZWBLPX-UXMHYFAKSA-N 361.570 5.085 0 40 FKAB in-vitro C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 222564696 DKKYNXLFCZPRQG-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223096286 KFRLLSXPIQMPAJ-HTAPYJJXSA-N 365.517 5.163 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 223689113 AVKHUEYHILPUFM-GOSISDBHSA-N 357.881 5.081 0 40 FKAB COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 223990562 UEULONYIRMYTMX-UHFFFAOYSA-N 371.786 5.247 0 40 FKAB CCc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 226363005 HMNHWSAEHIQNBA-UHFFFAOYSA-N 365.885 6.346 0 40 FKAB COc1c(C(=O)Nc2cccc(F)c2)cc2ccccc2c1Br 408622741 RHBUMZIEUIXXJG-UHFFFAOYSA-N 374.209 5.002 0 40 FKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1 408628428 SXQSRXIPLRSSKH-UHFFFAOYSA-N 368.392 5.171 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 408628797 AMQGSBDEQIFLEZ-UHFFFAOYSA-N 368.864 5.575 0 40 FKAB O=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1CC1CCCCC1 409134507 RVXXKKGVJQRJER-OQLLNIDSSA-N 353.846 5.096 0 40 FKAB CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=O)CSCC(=O)O 521825356 CGVFZPNOGIKIDP-HDICACEKSA-N 373.603 5.066 0 40 FKAB Cc1ccc(N2CCO[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1505840469 MMICTTIMCPLGFS-FQEVSTJZSA-N 374.267 6.097 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)nc1 670740 NNSCSJRYSDYCJR-UHFFFAOYSA-N 373.843 5.511 0 40 FKAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(C(C)(C)C)cc1 708641 AXBGQUQKHGMGFK-UHFFFAOYSA-N 359.491 5.037 0 40 FKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2c(C)cc(C)cc21 867284 DWBCRWOUOVOBLO-UHFFFAOYSA-N 355.503 5.003 0 40 FKAB C=Cc1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 1797631 QLQCCDSLWFDGSI-UHFFFAOYSA-N 366.844 5.547 0 40 FKAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)Nc1cccc2ccccc12 2257641 SIRXBIWVXQTYLJ-HXUWFJFHSA-N 359.400 5.733 0 40 FKAB O=C(CSc1ncnc2c1oc1ccccc12)c1cc2ccccc2o1 2432838 SLMSWFJNCQYUIS-UHFFFAOYSA-N 360.394 5.097 0 40 FKAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21 2732452 BVGJKIIULONRIJ-UHFFFAOYSA-N 361.411 5.743 0 40 FKAB O=C(Oc1cccc(Cl)c1)c1ccccc1OCc1ccc(Cl)cc1 3252501 KNGXAXQPBATGFP-UHFFFAOYSA-N 373.235 5.792 0 40 FKAB CC(C)(C)c1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 3534383 IMWQVSHPSPQUQG-UHFFFAOYSA-N 362.926 5.545 0 40 FKAB Clc1ccc(CSC2=Nc3cc(Cl)ccc3SCC2)cc1 4042758 QPEZNGKTFNUGMO-UHFFFAOYSA-N 354.327 6.453 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 4123406 COBJDALKAWGABO-UHFFFAOYSA-N 372.512 5.969 0 40 FKAB Cc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1 4318336 FRSWBIPUVISLPB-FUPPJEDESA-N 367.920 5.750 0 40 FKAB Fc1nc(F)c(F)c(Oc2cc(-c3ccccc3)c3ccccc3c2)c1F 4568421 ZWUCCDCVBBRYFC-UHFFFAOYSA-N 369.317 6.251 0 40 FKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2ccccc2c1 5083842 UPOWUYLSTGZMOW-UHFFFAOYSA-N 369.449 5.468 0 40 FKAB Cc1cc(-c2ccccc2)n([C@H](C(=O)c2ccccc2)c2ccccc2)n1 6484647 MZYGWTXNDWIMNK-QHCPKHFHSA-N 352.437 5.331 0 40 FKAB Cc1ccccc1OC(=O)c1ccccc1OCc1ccc(Cl)cc1 6566086 KCMDQJAZSXBIEO-UHFFFAOYSA-N 352.817 5.447 0 40 FKAB Cc1nc2ccccn2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 6908667 PHBFCMXTTHWMGP-UHFFFAOYSA-N 350.425 5.367 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2F)c2ccccc2)cc1 7593581 UOKPUNLEVBGVOY-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB O=C(Cc1ccsc1)Nc1ccccc1-c1nc2ccccc2s1 7987116 SBSMQIVVSBWZIW-UHFFFAOYSA-N 350.468 5.206 0 40 FKAB COc1ccc(-c2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cc1 8209193 QELUGVXRKLHBTM-UHFFFAOYSA-N 352.459 5.080 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(F)ccc2C)cc1 8327834 XTMVKNMTPLVDDL-UHFFFAOYSA-N 354.450 5.056 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1cccc(Cl)c1 8471887 LVSTZBOUTMNWAC-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB CC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccco2)c1 9497422 FJSPTVSLEBBDFX-UHFFFAOYSA-N 351.427 5.027 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 11916266 PBLIBIRSKMPCKM-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12654303 VBWAQBZDGGCZAO-MAIORPNCSA-N 363.542 5.079 0 40 FKAB O=C(c1c[nH]c2ccccc12)N1CCc2sccc2[C@@H]1c1cccs1 12805924 YNRVNMKOWYMEAF-LJQANCHMSA-N 364.495 5.079 0 40 FKAB CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN12 13616518 IHAVNXPAJQLGBW-UYAOXDASSA-N 356.853 5.018 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1c(F)cccc1Cl 14731045 WDVSFZGKWBMBRL-ZHACJKMWSA-N 371.795 5.199 0 40 FKAB C[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(F)cc1 20456066 JTKTZGREYCFSQK-CQSZACIVSA-N 364.445 5.899 0 40 FKAB CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 30827039 NMRHYMWGBQGJFK-UHFFFAOYSA-N 366.461 5.761 0 40 FKAB CCOC(=O)c1nn(-c2ccc(C)cc2C)c2c1CC/C2=C\c1ccccc1 32694283 RIDYWOVLUQBREJ-XDJHFCHBSA-N 372.468 5.153 0 40 FKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nc(CC(C)C)no3)c2n1 32902186 VLVHVUNYYKOJIM-UHFFFAOYSA-N 366.248 5.011 0 40 FKAB Cc1cnc2nc(-c3ccc(O)cc3)c(Nc3ccc(C(C)C)cc3)n2c1 35606520 SDOLZRLXSZGIOU-UHFFFAOYSA-N 358.445 5.277 0 40 FKAB Cc1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)c(C)n1CC(F)(F)F 89575699 UFXIWGBBWUZBSM-KRWDZBQOSA-N 370.459 5.242 0 40 FKAB CCCOc1ccc(C(F)(F)F)cc1NCc1nc2cccnc2s1 95941905 WRLMTFGBGJXRDV-UHFFFAOYSA-N 367.396 5.111 0 40 FKAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934651 ZFTMPARDUAODSX-HYBABEBDSA-N 360.538 5.024 0 40 FKAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccccc1C(C)C 224568506 VLIGCEZFHHDLKF-UHFFFAOYSA-N 369.505 5.270 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 224578158 OPWQKGNYHNPBEF-ZDUSSCGKSA-N 366.288 5.831 0 40 FKAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224928677 GCVWABXYLZWMJZ-UHFFFAOYSA-N 372.317 5.332 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544203 MPECPTSHHLJVGC-UHFFFAOYSA-N 355.453 5.455 0 40 FKAB CCOc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225848307 XPXKSJQOQXTXKF-UHFFFAOYSA-N 374.937 5.495 0 40 FKAB Cc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)n1 225873257 PFHYUCGABQRBKP-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB Cc1cc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc(C)c1Cl 408624595 YCKKENIVMPMWSH-UHFFFAOYSA-N 374.893 5.201 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 408629065 KQLXQVJJELIXFC-SFHVURJKSA-N 366.505 5.497 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 679103 OKSXLICBYNUOTD-LAUBAEHRSA-N 358.485 5.519 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cccs2)cs1 1514380 XAAZVTILJABECD-UHFFFAOYSA-N 366.467 5.286 0 40 FKAB OCc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2n1CCC2 1584270 VRARDEGUIYMBIW-UHFFFAOYSA-N 358.268 5.567 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(F)cc3)c3cc(C)ccc3o2)cc1 1805912 NFVCAHYGJWQWOL-NJNXFGOHSA-N 359.400 5.788 0 40 FKAB COc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H](c2ccccc2)O1 1821731 OJJXHSBRILDWOC-LEWJYISDSA-N 351.833 5.579 0 40 FKAB COc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccc(F)cc2)cc1 2447696 DHVFCGXMEZIXNM-IIBYNOLFSA-N 369.505 5.769 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1Cc1ccccc1 2647048 KWYIHCUXAYDFQK-UHFFFAOYSA-N 354.453 5.330 0 40 FKAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 5971984 BWOAASQRZVJXJE-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB CSc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 6127444 JWVFXCSTKUMGDY-UHFFFAOYSA-N 365.454 5.218 0 40 FKAB Cc1ccc(CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1 6204580 MGFSMZNRFCXGRR-UHFFFAOYSA-N 354.475 5.373 0 40 FKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 6639811 KEMUPQLUNRDIPB-HXUWFJFHSA-N 374.871 5.383 0 40 FKAB Fc1cccc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)c1 13265899 IYALSHYZUXKOTF-UHFFFAOYSA-N 362.433 5.018 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 13709519 PAHOYBWSARTXGM-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 17025753 JVMRIDIGTQQAJW-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(N2C[C@@H](C)C[C@@H](C)C2)c1C 18057017 TWNBQWREYBVWAX-OKILXGFUSA-N 368.912 5.149 0 40 FKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccccc2)cc1 20138885 VVENAYRKIHEHPZ-UHFFFAOYSA-N 369.420 5.358 0 40 FKAB CCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)sc1C 25615997 QWQZVGZSJFRQPJ-QGZVFWFLSA-N 373.518 5.004 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30863729 SCKNKLKBOQHGEI-FXAWDEMLSA-N 353.506 5.327 0 40 FKAB CCOc1c(Br)cc(CNc2cccc(Cl)c2)cc1OC 35160095 AIVHSKDVPUNHCQ-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB Clc1cccc(Nc2c(-c3cccs3)nc3ccc(Cl)cn23)c1 35616244 NWYGQPCOBCNKKB-UHFFFAOYSA-N 360.269 6.113 0 40 FKAB Cc1cccc2c(O)nc(/C(Cl)=C/c3ccc(OC(C)C)cc3)nc12 40139798 NNIFZSIFVVYFLG-BOPFTXTBSA-N 354.837 5.168 0 40 FKAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3ccccc23)cc1 40153143 CNTWVAXZEQLKHH-UHFFFAOYSA-N 370.477 5.580 0 40 FKAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2cc3ccccc3o2)cc1 40158125 JIRWGJRFHATLKN-NRFANRHFSA-N 363.457 5.128 0 40 FKAB Clc1ccccc1-c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 71815224 JDOFQXJOVNSEMP-UHFFFAOYSA-N 374.787 5.260 0 40 FKAB O=C(c1ccc(-c2ccccc2Cl)o1)N(Cc1cccs1)C1CC1 84514499 SGBMDGFBECZADO-UHFFFAOYSA-N 357.862 5.466 0 40 FKAB CCn1c([C@@H](C)N[C@@H](C)c2ccc(Br)cc2)nc2ccccc21 97212889 DJLQIYSJXJBUJP-UONOGXRCSA-N 372.310 5.231 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 219509988 IQFDCIKSJUIWSC-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(OC)cc1 224323279 KVVQSSVPNWZXNO-UWJYYQICSA-N 369.505 5.162 0 40 FKAB O=C(O)[C@@H](Cc1cccc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 225059004 BYSGSLMSWOUEEF-HXUWFJFHSA-N 352.817 5.082 0 40 FKAB CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 226325145 ZHULIUFTIIDWNM-UHFFFAOYSA-N 370.832 5.258 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2c(ccc3ccccc32)o1 408570046 YFWCKNXDVXRTQN-UHFFFAOYSA-N 356.208 6.145 0 40 FKAB Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1 755412 BYIHNNHUQFLHOV-UHFFFAOYSA-N 350.727 5.188 0 40 FKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccccc3)nn12 1040214 OHEBYUPNBXHAAH-UHFFFAOYSA-N 373.765 5.736 0 40 FKAB COc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 1361094 NTQCYNYTIFHHMI-UHFFFAOYSA-N 362.454 5.012 0 40 FKAB Clc1ccccc1COn1c(-c2ccccc2Cl)nc2ncccc21 1400244 LOWUAYGPAPTXNY-UHFFFAOYSA-N 370.239 5.034 0 40 FKAB CCNC1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1595276 HGMTVIMWWTVWPF-UHFFFAOYSA-N 373.499 6.333 0 40 FKAB CCCOc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 1899668 UFVLGRNWQHMMQK-UHFFFAOYSA-N 372.424 5.584 0 40 FKAB Cc1cc(C)cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 2335032 LOFXKPKGQDWGSO-UHFFFAOYSA-N 368.415 5.392 0 40 FKAB COc1ccc(-c2cn(-c3ccc(C)c(Cl)c3)c(=S)[nH]2)cc1OC 2686550 LFVUICAKDZWBBC-UHFFFAOYSA-N 360.866 5.181 0 40 FKAB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2cccc(F)c2)n1 2733304 VWFHRBICJFTYJY-UHFFFAOYSA-N 356.444 6.021 0 40 FKAB CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NC(C)(C)C)c2C1 3426937 WNMXHWIYHJZHKM-OAHLLOKOSA-N 352.522 5.304 0 40 FKAB Cc1cc(C)c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c(C)c1 4154565 DSWYCFSJCMSTQA-UHFFFAOYSA-N 363.457 5.254 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OC 6439469 VNQVLKPJUDNMPH-UHFFFAOYSA-N 355.821 5.153 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)Cc1coc3ccc4ccccc4c13)C2 6763655 MSKTWIRSGRAZTP-WPSZSDGUSA-N 361.485 5.460 0 40 FKAB CCCCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7260949 FEPGYSAJRYTTDV-UHFFFAOYSA-N 365.492 6.228 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)cc(=O)c3c2)cc1 9660017 OJCHBFBXZSWHMQ-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB biogenic C[C@@H]1CCc2nc3sc4c(c3c(-c3cccc(F)c3)c2C1)CCCC4 12610096 RFZZCGFUOJZZAT-CYBMUJFWSA-N 351.490 6.106 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@H]1c1ccccc1 14607976 ZRZFIELNGPFWMV-OAQYLSRUSA-N 373.481 5.027 0 40 FKAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2cccc(Cl)c2)CC3=O)cc1 20633023 XQFUSIMJEMZTKN-INIZCTEOSA-N 350.849 5.055 0 40 FKAB CSc1ccc(Cl)c(C(=O)NCc2csc(-c3ccccc3)n2)c1 26785877 FWUAOYDVXSVHBB-UHFFFAOYSA-N 374.918 5.115 0 40 FKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1C[C@@H]1c1ccc(F)cc1 29787071 YBGCSVBGBIKITC-RTBURBONSA-N 369.823 5.159 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)C[C@@H](C)O3)cc1 30836273 PGHAVLRCECLPSD-WAIKUNEKSA-N 370.452 5.090 0 40 FKAB COc1ccc([C@@H]2C[C@]23CCC[C@]2(C[C@@H]2c2ccc(OC)cc2)C3=O)cc1 35877764 POPRWUSLIHMTDH-CBJLPSGESA-N 362.469 5.104 0 40 FKAB biogenic Fc1ccc(-c2nc(CN[C@H]3CCOc4c(Cl)cccc43)cs2)cc1 67248766 BYYFLPNHIQECDC-KRWDZBQOSA-N 374.868 5.216 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(F)cc2Cl)c(Br)c1 71761755 PTTQTZVQPKDREN-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCc2sccc2[C@H]1c1ccccc1 104804749 IRVYYJQZXYIVKJ-ABXWHYIOSA-N 351.515 5.049 0 40 FKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)n1 148104105 KGSNZJVPTWFMDO-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 214265085 YZRRCVAANAMHNT-JOEZZVDMSA-N 353.418 5.009 0 40 FKAB CC(C)C(NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)C(C)C 216375148 XQRQJWIYVBHYOT-UHFFFAOYSA-N 364.533 5.050 0 40 FKAB CC(C)Oc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 216465891 UMNPGXOXLSCLKJ-UHFFFAOYSA-N 373.496 5.189 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)c(C)c1 219299441 BOEIUUUWTFMDIV-WIYYLYMNSA-N 353.506 5.462 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219545848 NRKLOCVYOMLDGJ-QGZVFWFLSA-N 353.462 5.031 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220479 SVIBIPTYWDDLKW-HXOBKFHXSA-N 373.496 5.363 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223398092 ZJSMRCHFEAJSKN-IBGZPJMESA-N 355.547 5.339 0 40 FKAB CCc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1 225399029 BXQHZXNYTFNIOQ-VWLOTQADSA-N 357.497 5.314 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCCCC1 225659047 OUWUFOGBOMCYOZ-UHFFFAOYSA-N 359.510 5.466 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc12 225676477 GMXMQSIWAORRLY-UHFFFAOYSA-N 359.469 5.689 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2cccnc12 225867303 KZOHGPUVXDUAHM-UHFFFAOYSA-N 374.484 5.392 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCCCC1 225931275 PFOMFTNOLRHDLU-UHFFFAOYSA-N 363.379 5.426 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 408679501 MTGRKIYHRSPCFI-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1cccc(Cl)c1 409109985 OZNRXHGNSBQLKZ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1CC1CCCCC1 409127886 QVYVMJSQKMFVDT-OQLLNIDSSA-N 370.301 5.610 0 40 FKAB O=C(Nc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 682917 HKNAUAAGGNBNAX-UHFFFAOYSA-N 368.230 5.494 0 40 FKAB O=C1c2ccccc2C(Cc2ccccc2)(Cc2ccccc2)c2ccccc21 1562000 GDPNODKPUYAGCT-UHFFFAOYSA-N 374.483 6.003 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 1738812 JOUSIYNDFUOKLD-UHFFFAOYSA-N 361.441 5.910 0 40 FKAB O=C1N=C2C(=C(O)c3ccccc32)[C@H](c2ccc(Br)cc2)S1 2348885 SEAKIANMGAOVCL-INIZCTEOSA-N 372.243 5.129 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1Cl 3221412 PGNZYIQHJXRWLX-UHFFFAOYSA-N 369.298 5.334 0 40 FKAB c1ccc(-c2csc3ncnc(N[C@@H]4CCCc5ccccc54)c23)cc1 3365334 JPRMSNCDZKNHHA-LJQANCHMSA-N 357.482 5.848 0 40 FKAB CCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2CCCC)cc1 4017634 ZFRQJCSUEYJJQM-CPLUKWAASA-N 356.510 5.216 0 40 FKAB CC[C@@H](C)Oc1ccc(-c2ccc(-c3ccc(O[C@H](C)CC)cc3)cc2)cc1 4673504 CRTXVVQPCWPLKT-WOJBJXKFSA-N 374.524 7.375 0 40 FKAB Clc1ccc([C@H](Sc2nnc3ccccn23)c2ccccc2)cc1 6114989 BAQHDLBCOFKBRJ-GOSISDBHSA-N 351.862 5.264 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 6152251 BEHPLDIUCYHMEZ-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB S=c1sc(Nc2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 8780381 QFZSNJRBUJHWDH-UHFFFAOYSA-N 354.287 5.714 0 40 FKAB CCC[C@H](NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2)c1cccs1 12200121 OTNGQXYBELMXQS-HNNXBMFYSA-N 373.518 5.005 0 40 FKAB COc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]2)cc1 12523800 ALJAVUAKVPNEBI-UHFFFAOYSA-N 365.436 5.672 0 40 FKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)oc(C)c3C)cc2)n1 12815484 RZSCBHNONNXUDO-UHFFFAOYSA-N 367.474 5.015 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccccc1OCc1ccccc1 13687203 XSNMTGXUYBHWJG-UHFFFAOYSA-N 359.469 5.643 0 40 FKAB CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757603 OBTNRIXCDREPER-UHFFFAOYSA-N 373.525 6.370 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(Cl)cc1Cl 20045885 PCQVRRFLDWTGBK-KRWDZBQOSA-N 366.288 5.084 0 40 FKAB CC(C)Oc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 20896881 KKRPYTXIRAOAHW-UHFFFAOYSA-N 369.461 5.521 0 40 FKAB Cc1ccc(Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1 23126804 WLKDRUQHXMEYBS-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB CSc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccc(F)cc1 26897127 ARRPVEFPZINITI-UHFFFAOYSA-N 360.457 6.067 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 30756668 DPOQHVVWMAPNFH-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB CC1(C)C[C@H](NCC[C@@](C)(Cc2ccccc2)c2ccccc2)CCO1 32074022 KLCPIWBXAYSNQW-VWNXMTODSA-N 351.534 5.124 0 40 FKAB Clc1ccc(CSc2nnc(COc3ccccc3)o2)cc1Cl 38534921 AHVJDWDZEZYSCN-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB COc1ccc2oc(C)c(C(=O)N[C@@H](c3cccs3)C(C)(C)C)c2c1 65522134 MGNIORRRXCSDCP-SFHVURJKSA-N 357.475 5.329 0 40 FKAB Fc1ccc(NC(=S)N2CCC(c3cc4ccccc4[nH]3)CC2)c(F)c1 65706446 NWDCRUVYDIUOJU-UHFFFAOYSA-N 371.456 5.023 0 40 FKAB Nc1cc(Cl)c(NC(=O)c2ccc(F)cc2)cc1NC1CCCCC1 72229332 XAWVTOVXAUSXQQ-UHFFFAOYSA-N 361.848 5.058 0 40 FKAB Cc1c(CSC(C)C)cccc1NC(=O)CCc1ccc(N(C)C)cc1 78877223 GUZMBCGFAOQNAW-UHFFFAOYSA-N 370.562 5.274 0 40 FKAB O=C(NC1(c2ccccc2)CCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84525157 FCEAVLGWIGYPOA-SJORKVTESA-N 359.391 5.005 0 40 FKAB O=C(NCc1cccc2ccccc12)N[C@@H]1CCSc2ccc(F)cc21 84598460 MMSDQBHKVQACOU-LJQANCHMSA-N 366.461 5.015 0 40 FKAB CCOc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccccc23)cc1 100242435 ZIYZYJVBANACFA-YYDJUVGSSA-N 371.436 5.740 0 40 FKAB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 118916101 JHTFPRFKUMCPIU-BIZPWLCNSA-N 368.565 5.207 0 40 FKAB CC(C)=Cc1ccc2c(N)c(C(=O)Nc3cccc4ncccc34)sc2n1 215677255 QJDCZJNQQGNVCT-UHFFFAOYSA-N 374.469 5.102 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc(C)cc2C)cc1 222900127 RZGRSUJTUNEHME-YADHBBJMSA-N 353.506 5.291 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222998811 OIWVSONLDPEGTO-SFHVURJKSA-N 365.517 5.253 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2cc(C)cc(C)c2)c1 225602739 YARJFFBHGXAGSP-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C 225669922 SDVKDDXNMFBCNG-UHFFFAOYSA-N 361.526 5.406 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C(C)C)cc2)c2ccccc2)c1 225697796 LOSPGZRQUSXDMB-QHCPKHFHSA-N 374.553 6.194 0 40 FKAB S=C(NCc1ccccc1Cl)c1cccc(OCc2ccccc2)c1 408571461 BVGKLEVUVCKRAI-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)c1 409098896 MOICBMLOSSDFOW-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccoc2)cc1 618255442 CSDOBAUNOBKTQA-UHFFFAOYSA-N 373.374 5.214 0 40 FKAB Fc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 1328700 YXIYHLANVVXBMM-UHFFFAOYSA-N 355.221 5.475 0 40 FKAB O=C(O)[C@H]1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc12 1722262 OSMADBDRFADZPJ-UPVQGACJSA-N 352.433 5.772 0 40 FKAB in-vitro CCOC(=O)c1c(-c2ccccc2)oc2c(-c3ccc(C)cc3)cc(O)cc12 2332991 RBCNQCOLLGLXAV-UHFFFAOYSA-N 372.420 5.958 0 40 FKAB CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 2349476 ALXKAQBBSQWMNA-UHFFFAOYSA-N 353.875 5.111 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccc(Oc2ccccc2)cc1 3345962 VTQTVYFKGUDERO-UHFFFAOYSA-N 373.235 5.934 0 40 FKAB COc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1OC 3524165 JVUXBVRJSUNCSE-UHFFFAOYSA-N 367.445 5.063 0 40 FKAB CCCCCC1CCC(c2nnc(SCc3ccc(C)cc3)o2)CC1 4036519 CDJIVJKXPBZOOB-UHFFFAOYSA-N 358.551 6.524 0 40 FKAB Fc1cccc(F)c1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 4690065 XAKHYZNCXSPHIR-SIKLNZKXSA-N 362.379 5.207 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)O)s2)cc1 5023172 SVEUYCSLZGVDIO-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB Fc1ccccc1CSc1ncnc2scc(-c3ccccc3)c12 5414185 HYJBKKNXKXXCJM-UHFFFAOYSA-N 352.459 5.790 0 40 FKAB COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@@H]12)CC1(CC3)SCCS1 5824288 NJJRJTCHDTYRKU-NZSAHSFTSA-N 366.592 5.423 0 40 FKAB Clc1ccc(SCCCCN2CCCC[C@@H]2c2cccnc2)cc1 6719271 KBWHXJPKBSCKRZ-HXUWFJFHSA-N 360.954 5.835 0 40 FKAB biogenic COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1 7375652 JPQPBFMKYCTTEX-JLHYYAGUSA-N 365.860 5.652 0 40 FKAB Fc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 8787483 QEHSKONOPLXIMX-UHFFFAOYSA-N 371.242 6.198 0 40 FKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2ccccc21 8807510 MXSCNCZNVORPQC-UHFFFAOYSA-N 373.909 5.057 0 40 FKAB Cc1cnc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)s1 9420154 KBHFNSQEHMYLMH-LLVKDONJSA-N 369.877 5.482 0 40 FKAB CCCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(Cl)cc2)cs1 12441814 LTRDOFARKHOBIZ-UHFFFAOYSA-N 374.897 5.086 0 40 FKAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccc1Cl 12774910 WRMAFUHYHXIZDP-UHFFFAOYSA-N 354.862 5.205 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@H]12 13408770 ZSXQKJCUWHUJJR-ZZMGWDEJSA-N 364.573 6.781 0 40 FKAB biogenic O=C1Nc2ccccc2/C1=C/c1nn(-c2ccccc2)cc1-c1ccccc1 16676009 YQEJVBSETOTHIF-HKWRFOASSA-N 363.420 5.032 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 20462214 PFJJAYOGORKWTD-HNAYVOBHSA-N 361.938 5.724 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCCOc2ccc(C)cc2)cc1 22510200 XIHJKTSDNBINCN-JOCHJYFZSA-N 369.505 5.066 0 40 FKAB Cc1cc(Br)c2oc(-c3cccc(Br)c3)nc2c1 40542303 ZGLNVJJPURBQNV-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB CCOC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 41127432 RYZDZVONIKGCLR-UHFFFAOYSA-N 357.409 5.267 0 40 FKAB CCOc1ccc2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57353021 LWCMTHJONPCOBA-UHFFFAOYSA-N 353.447 5.703 0 40 FKAB CCCCN1CCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 72214684 SJPJEGBTOQDLTL-SFHVURJKSA-N 361.530 5.170 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CC(Cc2ccccc2F)C1 75104708 OTMDRYFUFGJSET-UHFFFAOYSA-N 368.496 5.779 0 40 FKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3CCO[C@@]34CCCC[C@H]24)cc1 102692920 CKZZOIDHUAISOG-VDKIKQQVSA-N 357.497 5.360 0 40 FKAB Br/C(Cc1ccccc1)=C(\Br)Cc1ccccc1 104094766 LGDCZULANHVHFY-NXVVXOECSA-N 366.096 5.473 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCCOC(CO)CO 113962765 CUJUUWXZAQHCNC-BJCBFJDFSA-N 364.570 5.502 0 40 FKAB COC(=O)c1ccccc1SCc1coc(-c2ccc(Cl)cc2)n1 115601582 QFWHRILXLDHRGK-UHFFFAOYSA-N 359.834 5.074 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1 224361721 AXSVCCBSLLNJJZ-UHFFFAOYSA-N 365.404 5.056 0 40 FKAB CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)cc1 224979758 JWKXFSJLCLEOAH-UHFFFAOYSA-N 370.496 5.159 0 40 FKAB Cc1cc(Cl)ccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225074603 QICSHIGCBSRZDE-NRFANRHFSA-N 366.844 5.390 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl 225543820 ZQTHVPZHRPDDRA-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2O1 225665571 NPBVBZDXEGCKOD-SFHVURJKSA-N 357.881 5.081 0 40 FKAB Cc1cc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)oc2cc1C 226251280 SRVLWDKVNYTCSY-UHFFFAOYSA-N 352.865 5.387 0 40 FKAB Oc1nc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc12 253536017 CJXUGQNCFJAJBX-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB C[Si](C)(C)C1=C[C@H](NC2CCCCC2)n2c(nc3ccccc32)S1 675009516 KGIXSFKHPXSGEG-QGZVFWFLSA-N 357.599 5.324 0 40 FKAB O=S(=O)(c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(Cl)cc21 948681 HUKSCAVDOKSDDK-LJQANCHMSA-N 356.830 5.009 0 40 FKAB COc1ccc(-c2cc(C(=O)OC3CCCCC3)c3ccccc3n2)cc1 991993 XYTHNGBGMQXRDF-UHFFFAOYSA-N 361.441 5.400 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1C 1339983 LUUSVKZMZWFVLS-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 1447971 SLDMZBSGEZGURC-UHFFFAOYSA-N 370.832 5.373 0 40 FKAB biogenic CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C 1684827 BUIQHUBDLNDWCY-HSXTZPDUSA-N 354.481 5.596 0 40 FKAB biogenic CCCCN(C)c1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1756914 FCDCMBGDYLVOKS-UHFFFAOYSA-N 368.550 5.307 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 1914106 UDDIJMRWAUUSBS-UHFFFAOYSA-N 351.368 5.120 0 40 FKAB O=C(CCC1OCCCO1)c1ccccc1-c1ccc(C(F)(F)F)cc1 2518177 FOKLBVWPPHNKCC-UHFFFAOYSA-N 364.363 5.098 0 40 FKAB Cc1cc2occ(CC(=O)NCCc3c[nH]c4ccccc34)c2cc1C(C)C 2648173 XPTUDZCYFPLAJW-UHFFFAOYSA-N 374.484 5.247 0 40 FKAB CC(=O)Nc1ccc(SCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2663594 ONCPRYPXFHECRD-UHFFFAOYSA-N 361.466 5.287 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2790645 VIUOBJBVQXMJTB-OAHLLOKOSA-N 359.897 5.960 0 40 FKAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2cccc(Cl)c2)S1 3145727 OUOMZIJAJBYYNF-LLVKDONJSA-N 363.845 5.009 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3881981 XYGMEFJSKQEBTO-YGSBNWIISA-N 364.913 5.017 0 40 FKAB biogenic FC(F)(F)c1cccc(-c2noc(/C=C/c3ccccc3Cl)n2)c1 3913244 MUNLKTKRKYRPTL-CMDGGOBGSA-N 350.727 5.579 0 40 FKAB CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC[C@@H](C)O 4411076 JKWSRVTYVAMDSV-WOJBJXKFSA-N 358.563 5.143 0 40 FKAB C[C@@H]1C[C@@]2(c3ccccc3)[C@H](c3ccccc3)C(=O)N2c2ccccc2S1 4659031 GCODYFLTABRQQV-CUHUQNRHSA-N 371.505 5.597 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 5330822 BPBDVHFRYWSVJF-UHFFFAOYSA-N 359.292 5.933 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O 5440749 SRYWMUAIGFROLC-UHFFFAOYSA-N 370.452 5.041 0 40 FKAB COc1cccc(CNC(C)(C)C)c1OCc1ccc(Cl)cc1Cl 6882591 QWZSJRURLQPPDW-UHFFFAOYSA-N 368.304 5.469 0 40 FKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccccc3F)ccc21 7527817 MKQRIUYCAJFJSG-UHFFFAOYSA-N 363.461 5.762 0 40 FKAB CCOc1ccc2ccccc2c1CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 8325060 NJBIKVFFQUZCBV-VJMWJIOOSA-N 363.545 6.077 0 40 FKAB CCN(Cc1ccccc1)Cc1c(C)nc2c(C)cc(Cl)cc2c1O 8717231 RSUWYPWAUZHSAD-UHFFFAOYSA-N 354.881 5.233 0 40 FKAB Cc1ccc2c(CC(=O)N(Cc3ccco3)Cc3cccs3)coc2c1 8770599 IKSABFHSUBHELG-UHFFFAOYSA-N 365.454 5.167 0 40 FKAB Cc1ccc(C)c(COc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)c1 8971125 XNXBXIJRQLCHAK-UHFFFAOYSA-N 370.452 5.645 0 40 FKAB C[C@@H]1CCCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 10541044 KKCDJWYJDRZODL-OAHLLOKOSA-N 359.922 5.504 0 40 FKAB Cc1ccc2nc(-c3ccc(NCc4cccc5[nH]ccc45)cc3)sc2c1 15423624 GORZISCSESCFOJ-UHFFFAOYSA-N 369.493 6.365 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 19928711 RBZAAAXUUHYVMU-UHFFFAOYSA-N 365.458 5.468 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccccc1 20106944 BWJFDMUXQIDXLV-GHTZIAJQSA-N 353.506 5.481 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 20452477 LJYHIHBENPOXEL-QHCPKHFHSA-N 370.496 5.130 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccnc3Cl)o2)cc1Cl 21595935 WTGGCOYIXUOJJT-VQHVLOKHSA-N 373.239 5.609 0 40 FKAB Cc1csc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 29775461 ZRWATDBTWHOJAL-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB COc1cc(C(=O)Nc2ccccc2C)ccc1OCc1ccc(C)cc1 33733881 NYIBOIUMGBSXBH-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB COc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12 35616028 LJMZPTGMWFYHRT-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB Cc1ccccc1CSc1nccn2nc(-c3ccc(C(C)C)cc3)cc12 45925407 BOKIAPAUPXGIFD-UHFFFAOYSA-N 373.525 6.120 0 40 FKAB c1ccc(CN2CCCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217267 DQLBXWQOQVZXFL-JOCHJYFZSA-N 366.574 6.234 0 40 FKAB Cc1nc(-c2ccc(OCc3cccc(Cl)c3)c(C(=O)O)c2)cs1 85397515 OQVIRZMCBNHQAI-UHFFFAOYSA-N 359.834 5.049 0 40 FKAB Cc1cc(-c2ccc(OC(C)C)cc2)cc(-c2ccc(OC(C)C)cc2)n1 95116761 SIRYASKKZZINSJ-UHFFFAOYSA-N 361.485 6.298 0 40 FKAB Cc1c(-c2nnc3sc(-c4ccccc4Cl)nn23)oc2ccccc12 96194118 IBOKECUHGXKFDB-UHFFFAOYSA-N 366.833 5.228 0 40 FKAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222808473 ZRZSIFSOQKBPJZ-QGZVFWFLSA-N 353.506 5.364 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1C)c1ccc(C)cc1C 222972345 GEQNMKVBCMPGJB-LEWJYISDSA-N 353.506 5.345 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 223439478 ZPTHVWDQZDIGLO-KRWDZBQOSA-N 362.498 5.100 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1 224361623 KJNNBFWKHKOSBC-UHFFFAOYSA-N 365.404 5.056 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1cc(C(F)(F)F)ccc1Cl 224608069 ZNEISVKTNPJMCF-UHFFFAOYSA-N 366.141 5.333 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225543045 AEMYHLSIJQDHTA-UHFFFAOYSA-N 351.490 5.543 0 40 FKAB COc1cc(Br)c2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226343399 VYWOLDABHDLGHJ-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB S=C(Nc1ccc(Oc2ccccc2Cl)cc1)NC1CCCCC1 408548668 KWZJOTLICMRHRB-UHFFFAOYSA-N 360.910 5.751 0 40 FKAB COc1ccc2ccccc2c1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408557170 NIOAYBGSNAAPHS-HXUWFJFHSA-N 369.873 5.280 0 40 FKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccs4)C(=O)O3)sc2c1 408848925 XGTYNSDZTZTELK-XYOKQWHBSA-N 359.859 5.269 0 40 FKAB COc1ccc(-c2cc(C)nc(SCc3ccccc3Cl)n2)cc1 409384479 CRWCUORAIHUKSD-UHFFFAOYSA-N 356.878 5.406 0 40 FKAB CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 504185416 ZBPQBCXWLUSWGS-GVAABCLMSA-N 360.538 5.310 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)csc1=Nc1c(C)cc(C)cc1C 584905954 LFOYYBQILTZFGB-UHFFFAOYSA-N 356.922 6.048 0 40 FKAB Cc1cc(Cl)c(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1Cl 666421963 APCKBGSTXTVQIO-CXAGYDPISA-N 371.308 5.115 0 40 FKAB FC(F)c1cccc(CNc2cc(Cl)ccc2Oc2ccccc2)c1 1776007629 QFIYXWNOTQARLB-UHFFFAOYSA-N 359.803 6.682 0 40 FKAB Cc1cc2cc(C)c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nc2cc1C 902914 RWSQMJCULYMPPR-IRXDYDNUSA-N 356.535 5.042 0 40 FKAB O=C(C[C@@H](Sc1ccccc1)c1ccc2c(c1)OCO2)c1ccco1 945408 IKCVOJGVQWFWPE-HXUWFJFHSA-N 352.411 5.115 0 40 FKAB Cc1scc(Br)c1-c1c(Br)csc1C 984435 HCGBBRRCXPRPQU-UHFFFAOYSA-N 352.116 5.618 0 40 FKAB CCOc1ccccc1/N=c1\cc(-c2ccccc2)oc2ccc(C)cc12 1805866 NQEVYMJUVVLYAK-NJNXFGOHSA-N 355.437 6.039 0 40 FKAB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccccc4c3)n2)o1 2063455 WADWLOLJRGOUIW-UHFFFAOYSA-N 361.444 7.137 0 40 FKAB CCCc1nc2sc3c(N4CCCC[C@@H]4C)ncnc3c2c2c1CCC2 2400668 LAJZKBGVRMXPNK-ZDUSSCGKSA-N 366.534 5.060 0 40 FKAB Cc1ccc(C(=O)[C@@H](Sc2nnc3ccccn23)c2ccc(C)cc2)cc1 2626647 JFSUNAPWNKFESU-NRFANRHFSA-N 373.481 5.062 0 40 FKAB Cc1cc(C)c(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1C 2641238 PARUYAHDABHVCB-UHFFFAOYSA-N 358.437 5.105 0 40 FKAB Cc1ccc(-c2nnc(Oc3ccc(F)c(Cl)c3)c3ccccc23)cc1 2645478 WZSHWLIMHDVERW-UHFFFAOYSA-N 364.807 6.190 0 40 FKAB COc1ccc(-c2csc3ncnc(Oc4ccc5c(c4)CCC5)c23)cc1 2663385 VDTHKOGMCHQOQJ-UHFFFAOYSA-N 374.465 5.648 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 3136217 QVLPOHQIZLVHBK-UHFFFAOYSA-N 363.848 6.112 0 40 FKAB COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3ccccc3n2)cc1 3219803 UTNRBYBZQTWWOX-UHFFFAOYSA-N 369.420 5.438 0 40 FKAB aggregator C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccncc1 3235309 NMJJTTNPTINBQK-OAHLLOKOSA-N 370.905 5.070 0 40 FKAB CCCCc1cc(=O)oc2cc(C)cc(OCc3ccccc3OC)c12 4043153 XTYFHOCOVWOFCI-UHFFFAOYSA-N 352.430 5.032 0 40 FKAB biogenic Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccccc1F 4678261 WIYRKSYICANAQK-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2ccc(Cl)cn12 4793934 XVPNIYASXRIOCT-UHFFFAOYSA-N 372.859 6.188 0 40 FKAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1 5529528 BBMXKTSRVFGBSD-IRXDYDNUSA-N 374.484 5.029 0 40 FKAB O=C(Oc1cc(Cl)ccc1Cl)C(c1ccccc1)c1ccccc1 6078935 VAJLSWAUBKEOJM-UHFFFAOYSA-N 357.236 5.731 0 40 FKAB C[C@@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 6609314 CEVHUOYUVZGJDA-FQEVSTJZSA-N 357.497 5.519 0 40 FKAB COc1ccc2c(CC(=O)Nc3ccccc3-c3ccccc3)coc2c1 6788386 SQNHNQJTVUIVKB-UHFFFAOYSA-N 357.409 5.290 0 40 FKAB Cc1c(Cl)cccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 8071869 YARWNIPFZBGGJB-UHFFFAOYSA-N 359.897 5.742 0 40 FKAB Clc1ccc(SCCSc2nc(-c3cccs3)n[nH]2)cc1 8514727 IYOBPCASVDMVDN-UHFFFAOYSA-N 353.925 5.071 0 40 FKAB C[C@@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 8535332 JIEPFEBUACUBSL-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(CN[C@@H](c3ccccc3)C3CC3)o2)cc1 9313555 ZWMAWVKJDFYURB-NRFANRHFSA-N 361.489 5.275 0 40 FKAB COc1ccc([C@H](NC(=O)N[C@@H](C)c2cc3ccccc3o2)C(C)C)cc1 9869453 CHBLRAHVDNKZPW-YCRPNKLZSA-N 366.461 5.199 0 40 FKAB C1CCC(CCCO[C@@H]2OCCO[C@H]2OCCCC2CCCCC2)CC1 12618373 KLEJPDQZUKOUTD-FGZHOGPDSA-N 368.558 5.440 0 40 FKAB CCc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 12997323 UXPWKXIUSQCVKS-IBGZPJMESA-N 353.512 5.160 0 40 FKAB CCCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 14258442 DFTUCWCGQQWNIA-UHFFFAOYSA-N 350.418 5.204 0 40 FKAB Clc1ccc(-c2noc(-c3ccc(CSc4ccccc4)o3)n2)cc1 33021772 ZGAQBJMLLCTRFV-UHFFFAOYSA-N 368.845 5.942 0 40 FKAB COc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 35287247 REFUDGOYSFMZAF-UHFFFAOYSA-N 351.060 5.921 0 40 FKAB CSc1ccccc1NC(=O)Cc1sc(-c2ccccc2)nc1C 38679389 XTLIQBAMEPORBX-UHFFFAOYSA-N 354.500 5.022 0 40 FKAB CC1(C)COC(CCCCC(=O)c2cccc(Oc3ccccc3)c2)OC1 43214512 RCGQVEUATNIMNG-UHFFFAOYSA-N 368.473 5.621 0 40 FKAB COc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 51355954 GCDMBVVHFBCJMQ-UHFFFAOYSA-N 358.747 5.320 0 40 FKAB FC(F)(F)c1ccc(NC(=S)Nc2cccc3c2CCCC3)cc1 71761875 AOBCUQUUZULGGY-UHFFFAOYSA-N 350.409 5.393 0 40 FKAB Cc1[nH]c(SCc2cc(F)cc3cccnc23)nc1Cc1ccccc1 84052210 HAEMBOGKRIPXBO-UHFFFAOYSA-N 363.461 5.289 0 40 FKAB Brc1ccccc1-c1cc2c(n1Cc1ccccc1)CCCC2 95951736 HVHZYORKLZHQDU-UHFFFAOYSA-N 366.302 5.845 0 40 FKAB O=C1[C@H]2[C@@H]3CC[C@@H]([C@@H]2[C@@H]2[C@@H]4C[C@H]([C@H]5[C@H]4[C@@H]4CC[C@@H]5C4)[C@@H]12)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 100354180 YJUVCBGGFBYMBC-KJFXYMOLSA-N 362.557 5.048 0 40 FKAB Cc1ccnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c1 224001428 LKFMZAMGIHYSSI-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1 225503321 ABQXRNDRUIBKNH-NRFANRHFSA-N 362.498 5.080 0 40 FKAB Fc1ccccc1NC(=S)NCCCSCc1ccc(Cl)cc1 225609373 BSEPZOGRUJBBEW-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2)c1 225633366 QMRBVAVNOGNEHP-DEOSSOPVSA-N 355.481 5.393 0 40 FKAB Cc1cc(OCc2c(F)cccc2Cl)c2c3c(c(=O)oc2c1)CCCC3 634051 CAGVHRSXKOQXNK-UHFFFAOYSA-N 372.823 5.352 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 1397253 OYXRVSBXSUCBPB-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB Cc1cc(O)c(C(C)C)cc1NC(=S)Nc1cc(C(C)C)c(O)cc1C 1665043 PYYQOOZYVPLIRE-UHFFFAOYSA-N 372.534 5.770 0 40 FKAB Nc1ccc(-c2ccc(N)c(Oc3ccccc3)c2)cc1Oc1ccccc1 1700510 HIZMHZUNSCYTSM-UHFFFAOYSA-N 368.436 6.103 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(F)cc3)N=C(O)CCN21 2292157 XZUCFKHSEXXKSE-RSNBEDGSSA-N 350.437 5.002 0 40 FKAB Clc1ccc(Nc2ncnc3c2oc2ccc(Br)cc23)cc1 2410792 OELKFPIIUNCQOE-UHFFFAOYSA-N 374.625 5.536 0 40 FKAB Cc1ccc(Sc2ncccc2COC(=O)Nc2ccccc2)cc1 3105197 PSPQRICALTVYAW-UHFFFAOYSA-N 350.443 5.290 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 3202586 GUGWSEOEIRGLBZ-UHFFFAOYSA-N 372.468 5.425 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1 3655317 ZWIVZEKERSOZJP-UHFFFAOYSA-N 361.422 5.286 0 40 FKAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 4109847 YYPUEEZFVGLILW-UHFFFAOYSA-N 362.395 5.256 0 40 FKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Cl)s1 4279315 GDYWBUMODVMVCX-UHFFFAOYSA-N 368.870 5.911 0 40 FKAB C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4555391 NDHOPVCXDQDCPC-LJYZBVLISA-N 357.497 5.072 0 40 FKAB CCOc1cccc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc12 5125194 HLYCBFBRTGULMU-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB CC1(C)C2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@@]2(C)Cc2cnoc21 5231763 AXLOCHLTNQDFFS-AYTMROFBSA-N 355.522 5.038 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cc1Cl)c1csc(Cc2ccccc2)n1 6240365 DQEMAEJORMHVPV-UHFFFAOYSA-N 363.269 5.293 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 6350923 ZZZZTBSRKKEWCV-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB O=C1c2ccccc2[C@@](c2ccccc2)(N2CCCCC2)N1c1ccccc1 6582282 XOFLLIGIYUYVOD-VWLOTQADSA-N 368.480 5.034 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 7073046 HZBMPZVZBQWYKF-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2F)nc2ccccc12 7981835 HCWVUFWUIJXQSR-UHFFFAOYSA-N 360.841 5.067 0 40 FKAB CC(C)COc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 7995865 BWGXYABRAQEILD-UHFFFAOYSA-N 366.486 5.026 0 40 FKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1NCc1ccccc1 9316465 RJXLTOXWIXPJSK-UHFFFAOYSA-N 360.844 5.461 0 40 FKAB CCC(=O)Nc1c(-c2cc(=O)oc3cc(C)cc(C)c23)oc2ccccc12 11865190 HZRJFIQUTVHWOF-UHFFFAOYSA-N 361.397 5.172 0 40 FKAB biogenic Cc1cc(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc12 12653721 HUAFCCCAAIBLQW-UHFFFAOYSA-N 350.487 5.077 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1 13708575 NMOIBYVPDJIIHG-ZDUSSCGKSA-N 359.347 5.265 0 40 FKAB C[C@H]1CSc2n1c(-c1ccccc1)c[n+]2-c1cccc(C(F)(F)F)c1 15961066 RDKOIBFYQJHVRZ-ZDUSSCGKSA-N 361.412 5.117 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 16362388 DHLKMUDERSTRGI-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB COc1cccc(Cn2nc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)c1 17075603 VICNOAIDVATYJC-UHFFFAOYSA-N 368.480 5.891 0 40 FKAB CCCCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17270461 KSBYCCMPCDJWKQ-UHFFFAOYSA-N 372.476 5.080 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(Cl)c1 20110157 ZDCAHQHVTXPIOM-LJQANCHMSA-N 357.812 5.428 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-c2ccccc2F)o1 21583921 QFTGLMADKSPLOK-UHFFFAOYSA-N 364.401 5.462 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccnc(Cl)c2)cc1 21710951 AAPOSCISRJHVCI-UHFFFAOYSA-N 368.820 5.178 0 40 FKAB CCc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 26442274 HHMNVIFHCNHWAQ-VHXPQNKSSA-N 356.494 6.001 0 40 FKAB CCOC(=O)C1=C(c2ccccc2)N=NC1(c1ccccc1)c1ccccc1 33786489 YTKAGZHXDDYIRZ-UHFFFAOYSA-N 368.436 5.370 0 40 FKAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@H]1c1cccs1 36075145 GKLRQSVZNZDLEV-ZDUSSCGKSA-N 370.699 5.141 0 40 FKAB O=C(Cc1cccc(F)c1)N[C@H](c1ccccc1)c1cc2ccccc2o1 40017285 BLIVIDNZDPABLD-HSZRJFAPSA-N 359.400 5.020 0 40 FKAB Cc1cccc(-c2csc3c(=O)n(Cc4cccc(Cl)c4)cnc23)c1 44166786 CNUVZWJQERJBCP-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB CN(Cc1ccsc1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 44775008 MYKTZCYPIRITIZ-CVEARBPZSA-N 368.527 5.066 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(C)c3C)c2c1 46086098 ZLVGZYBCYWEVEY-UHFFFAOYSA-N 351.446 5.789 0 40 FKAB CC(C)CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214862 QULLXQWXIGPPBI-SFHVURJKSA-N 361.530 5.024 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2cccs2)CC1 75157092 YHNWZHGNYKQUIW-UHFFFAOYSA-N 355.290 5.466 0 40 FKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Nc1cccs1 85471079 HXQOZNXVQWJCCY-UHFFFAOYSA-N 363.895 5.155 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(c2ccc(F)cc2)c2ccc(F)cc2)C1 102228738 RVVCOUREOOUCGP-NZQKXSOJSA-N 355.472 5.955 0 40 FKAB Cc1ccc(-c2cn3nc(-c4cccs4)c(-c4cccs4)nc3n2)cc1 141600449 JBYQBQKLOJAPTB-UHFFFAOYSA-N 374.494 5.557 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1C 219309243 RMSCWBKWAJFUAM-QGZVFWFLSA-N 353.462 5.031 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1C 225708140 ODCWWOGIWKZPJZ-QGZVFWFLSA-N 368.546 5.672 0 40 FKAB Fc1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2)cc1 408604682 DTRFAJSVZDXKBH-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 408681189 PVPOEDSNXSJWGM-CQSZACIVSA-N 358.652 5.443 0 40 FKAB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)c2ccccc21 409110104 RIGWNUIFUMETHN-XLNRJJMWSA-N 369.464 5.563 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2Cl)cc1 409117990 MMIFSZCHFHWJNB-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccc2ncsc2c1 585148067 IXPNJFITEZZXOC-UHFFFAOYSA-N 370.524 5.059 0 40 FKAB O=C(Nc1cnc2ccccc2c1)c1sc2cc(Cl)ccc2c1Cl 853529 OTZNITMTSIBDJX-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB CC(=O)Nc1ccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 1281069 XVCSMFIRTLMKRV-HSZRJFAPSA-N 370.456 5.031 0 40 FKAB Cc1cccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)c1C 1342912 KDCHAYQJTAZMSB-UHFFFAOYSA-N 365.502 5.101 0 40 FKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1 2245722 LGPHHGAYJUEAJK-UHFFFAOYSA-N 370.843 5.348 0 40 FKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 2356104 UJXUJCAUMVBBFM-UHFFFAOYSA-N 351.500 5.472 0 40 FKAB CCCCCCc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 3109189 OGANGOZNJPBBAE-UHFFFAOYSA-N 358.294 5.220 0 40 FKAB Cc1ccc(N[C@H](c2ccc(O)cc2)P2(=O)OCC(C)(C)CO2)cc1 3110448 POQMTFJTSNEBAR-SFHVURJKSA-N 361.378 5.077 0 40 FKAB Fc1ccc(Oc2nc(-c3cccs3)nc3ccccc23)c(Cl)c1 3352009 PIPQYBGRBBKAEV-UHFFFAOYSA-N 356.809 5.943 0 40 FKAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC[C@H](C)O 4411077 JKWSRVTYVAMDSV-PMACEKPBSA-N 358.563 5.143 0 40 FKAB c1ccc(Cn2c(CNc3cccc4ccccc34)nc3ccccc32)cc1 4663468 RRSUGXXRHHYWTN-UHFFFAOYSA-N 363.464 5.850 0 40 FKAB Clc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4665051 POBOJHJMTUJOGH-GMAHTHKFSA-N 358.872 5.868 0 40 FKAB biogenic CCCCn1c([C@@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 5234781 GQUFSXXMRGUTSD-KRWDZBQOSA-N 358.485 6.150 0 40 FKAB Fc1cc(Br)ccc1Cn1c(C(F)(F)F)nc2ccccc21 5268066 LIXKRQRNZNCFAI-UHFFFAOYSA-N 373.147 5.005 0 40 FKAB CC[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 5476851 XPBCDFDNYPRIDQ-MRXNPFEDSA-N 356.878 5.596 0 40 FKAB O=C(N1C=CC(=Cc2ccccc2)C=C1)N1C=CC(=Cc2ccccc2)C=C1 5648476 FRPIXCHYUUBMBS-UHFFFAOYSA-N 364.448 5.960 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 5699116 XWABRKYIJKWEMB-UHFFFAOYSA-N 371.415 5.239 0 40 FKAB S=C(Nc1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 5935764 AVCVSHJPTVSSGB-UHFFFAOYSA-N 355.334 5.249 0 40 FKAB CCCCCNc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@H]21 6310122 UPBSWHJFBKBOQN-UTKZUKDTSA-N 370.566 5.719 0 40 FKAB C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 6561374 YMQUPXVULWREPF-AWEZNQCLSA-N 357.831 6.058 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(F)cc1 6857372 BKUVPBGRFZWIPN-UHFFFAOYSA-N 373.512 5.718 0 40 FKAB Cc1ccc(-c2cc(-c3ccco3)c3c4c(sc3n2)C[C@H](C)CC4)cc1 7148252 WEABSEJBHDZHBP-OAHLLOKOSA-N 359.494 6.657 0 40 FKAB CCc1ccc([C@@H](NC(=O)c2ccc(F)cc2F)c2cccs2)cc1 8062281 JEEATOUNKJMXJF-LJQANCHMSA-N 357.425 5.108 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1Cl 8472125 XMKPOGCEPJQBED-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB Cc1ccc(-c2cc(NC(=O)COc3cc(C)ccc3C(C)C)on2)cc1 11913874 CQBZYLJKDPFGDK-UHFFFAOYSA-N 364.445 5.099 0 40 FKAB Cc1cccc(Oc2ccc3[nH]c(C(=O)NCCC4=CCCCC4)cc3c2)c1 23213167 XYHJQRVVQNIAEN-UHFFFAOYSA-N 374.484 5.889 0 40 FKAB O=C(CCCCc1nc2ccccc2s1)N1CCSc2ccccc21 32722070 FAHLKZMNQRILRV-UHFFFAOYSA-N 368.527 5.148 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc2[nH]c3ccccc3c2c1 44781819 VGPVNRJRKVYVGA-UHFFFAOYSA-N 366.420 5.492 0 40 FKAB CCCCNc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72213629 IJOSSKAETDQBCF-HXUWFJFHSA-N 367.493 5.157 0 40 FKAB CCN(C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 72285571 VHIWTGYTDYMMGX-NRFANRHFSA-N 366.411 5.608 0 40 FKAB CC(C)C(=O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509796 ILNLOGIKIZNWTQ-UHFFFAOYSA-N 366.255 5.026 0 40 FKAB Cc1noc2c1[C@@H](c1ccsc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102748350 PBFLEUXQVBIMIB-DNVCBOLYSA-N 362.454 5.652 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2o1 111895298 RHSOXRCFPYLOJR-UHFFFAOYSA-N 368.589 5.240 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 222889424 MTMCXDUCNYKOTD-QHCPKHFHSA-N 373.496 5.312 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222919831 DESYJDNBLCNOPZ-NRFANRHFSA-N 367.533 5.905 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCCc1ccc(Cl)cc1 225334967 OZLOESWPKQPEES-UHFFFAOYSA-N 370.707 5.328 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccccc1 225504906 JZJYCKIYSJTNAH-FQEVSTJZSA-N 368.452 5.349 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225511997 GJYOZWUPUSPNOX-SFHVURJKSA-N 351.490 5.623 0 40 FKAB Cc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2C)cc1C 409048047 QRIKUNJTYBBPKI-UHFFFAOYSA-N 373.319 6.241 0 40 FKAB Cc1nnc(SCc2ccccc2Cl)n1-c1ccc(Cl)cc1 409094255 CUYAJNSUHMQEOM-UHFFFAOYSA-N 350.274 5.175 0 40 FKAB CC(C)(C)c1ccc(NC(=O)NCc2cccnc2-c2ccsc2)cc1 585366591 JJOLKIZTYWXLKP-UHFFFAOYSA-N 365.502 5.429 0 40 FKAB CC1(C)[C@H]2C(Cl)(Cl)[C@@]2(C)c2ccccc2N1C(=O)c1ccccc1 851568 BNWHOPCCXZHZPW-MJGOQNOKSA-N 360.284 5.187 0 40 FKAB Cc1nc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1Cl 970391 RMAURACFSDTMNP-UHFFFAOYSA-N 364.059 5.564 0 40 FKAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(C)cc4C)nc3C2)cc1 2419364 NXFRXFOETMRVNU-GOSISDBHSA-N 357.457 5.058 0 40 FKAB CC(C)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3252406 DBIZSPIDSHBOBP-UHFFFAOYSA-N 354.837 5.006 0 40 FKAB O=C(OCc1ccccc1Cl)c1c2c(nc3ccccc13)CCCCC2 3316460 NSVJEEAWRNGMAH-UHFFFAOYSA-N 365.860 5.514 0 40 FKAB CCc1cccc(CC)c1NC(=S)N1CCCC[C@H]1c1cccnc1 3893377 FBMREJYABRDDRL-IBGZPJMESA-N 353.535 5.130 0 40 FKAB Cc1cccc(Cn2cc(SCc3cc(C)ccc3C)c3ccccc32)c1 4059674 MWVKDLRNBYTFPP-UHFFFAOYSA-N 371.549 6.907 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(OC(C)C)cc2)(C(C)C)CCO1 4073331 BVXZKVGVMFJFAV-GOTSBHOMSA-N 361.570 5.575 0 40 FKAB biogenic Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 4184246 ZJOGHPRYFVWDRO-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCCCC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341973 GYVCXTXKMDJLBH-UHFFFAOYSA-N 370.836 5.467 0 40 FKAB C[C@H](c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1 4869236 IDDKKPCMEWUYBH-GFCCVEGCSA-N 361.228 5.389 0 40 FKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1 4969917 JIDMISBVAVXVCX-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccncc2)c(C(C)C)c1 5498499 WQURJXAFMPZQIL-UHFFFAOYSA-N 360.523 5.253 0 40 FKAB Cc1ccc(O)c([C@@H](c2ccc(Br)cc2)c2ccc(C)o2)c1 5542835 FSDDEYYWYZXQPS-LJQANCHMSA-N 357.247 5.545 0 40 FKAB biogenic Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 6110239 HSSXRYHBRAZDSH-UHFFFAOYSA-N 350.274 5.175 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1OC 6554907 KHRUIMGMEQVAIJ-LLVKDONJSA-N 352.261 5.768 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3ccccc3)C[C@H]12 6779799 LZOCUXGUHLCYSF-CMOMWAHVSA-N 364.573 6.474 0 40 FKAB biogenic O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1c1nc2ccccc2s1 8231978 KRGNSQJDYKMWMO-HNNXBMFYSA-N 368.527 5.214 0 40 FKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)c1C 8725763 ABYKRNCULUBXLH-OAHLLOKOSA-N 366.486 5.054 0 40 FKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 8904063 VQPSNVXQOBMHNU-UHFFFAOYSA-N 363.413 5.175 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1OCc1cccc2cccnc12 11149197 MCBMITHKYWXRMM-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12576128 KNVRIWSERMMEKC-INIZCTEOSA-N 371.912 5.078 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)oc2c1 14257958 GHFSALJFHIXITL-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 16184375 SKCBMXPSMNDPEL-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB COc1ccc2cc([C@@H]3SCC(=O)N3c3cccc(Cl)c3)ccc2c1 19927281 CEKPMCZOMCQVIN-FQEVSTJZSA-N 369.873 5.280 0 40 FKAB Fc1ccc(-c2csc(Cc3nc(-c4ccccc4Cl)no3)n2)cc1 33298259 FQLQRXNEIPSKTA-UHFFFAOYSA-N 371.824 5.243 0 40 FKAB Cc1ccc(C)c([C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 33600831 XJUNXPLJKPMLHU-HNNXBMFYSA-N 356.680 5.145 0 40 FKAB CCOP(=O)(OCC)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 38698553 AOKOJVXMVZNASX-GOSISDBHSA-N 367.813 5.395 0 40 FKAB Cc1ccc(-c2cnc(SC(C)C)n2-c2ccc(OC(F)F)cc2)cc1 44088157 RGQSTYZYNOGAAF-UHFFFAOYSA-N 374.456 5.950 0 40 FKAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\C=C\c2ccccc2)s1 58411318 BKQVEUIXUVZHFR-NJKRNUQASA-N 367.861 5.084 0 40 FKAB O=C(c1cnc2ccc(F)cc2c1Nc1cccc(Cl)c1)N1CCCC1 64471790 TZWFCSLHSOLMEK-UHFFFAOYSA-N 369.827 5.007 0 40 FKAB Cc1cc(N2CCCC[C@H]2c2cccc(C)c2C)nc(-c2ccncc2)n1 72307633 MGLONSXYJZXKHA-NRFANRHFSA-N 358.489 5.195 0 40 FKAB C/C(=C/C=C/C(C)=C/C(=O)O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C 96171660 GVGQZXQAFNUDJB-CYJTWTKOSA-N 352.518 6.272 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 102855409 TUPDNAUFOQVZDL-HRAATJIYSA-N 354.519 5.159 0 40 FKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)C1 222792013 CLCOTEVULRXDQX-IBGZPJMESA-N 372.512 5.002 0 40 FKAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCC2 223146706 WQBUJSFIRVWMCB-SFHVURJKSA-N 355.481 5.185 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 225375327 JZXPJFOQAKUJOS-UHFFFAOYSA-N 352.305 5.011 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225543092 JQFWBKBITSPPHM-UHFFFAOYSA-N 365.517 5.933 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225733731 VDOBJFOVHVDFNB-QHCPKHFHSA-N 369.505 5.436 0 40 FKAB CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c2ccccc12 225942904 VHBXKCJODLRSDU-UHFFFAOYSA-N 361.485 5.754 0 40 FKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 227144668 CSTBDRGMLOSENA-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(Cl)c1 227157686 FMIAJMBPMNIDOQ-UHFFFAOYSA-N 365.191 5.227 0 40 FKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc2ccccc2c1 409382168 PMKJSWQZBAGUPP-UHFFFAOYSA-N 359.853 5.504 0 40 FKAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cccc2ccccc12 509295082 RNKFLNGQYNAVHN-UHFFFAOYSA-N 363.420 5.407 0 40 FKAB Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 684491 SVNFXYVWHXDRJE-FXAWDEMLSA-N 350.418 5.130 0 40 FKAB O=C(c1cccs1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 937952 MBIDDUUZOZSLPT-YVWKXTFCSA-N 359.922 5.503 0 40 FKAB CC(=O)Nc1cccc(C2=Nc3ccccc3S[C@@H](c3ccco3)C2)c1 952055 GWARVWMULWLGJM-OAQYLSRUSA-N 362.454 5.596 0 40 FKAB O=C(Nc1cccc(Br)c1)C(c1ccccc1)c1ccccc1 2276642 GHXQIZWONOPYKG-UHFFFAOYSA-N 366.258 5.220 0 40 FKAB Cc1nc(Nc2ccc(-c3ccccc3)cc2)c2c3c(sc2n1)CCCC3 2680282 GSSJOJCVGRPPJM-UHFFFAOYSA-N 371.509 6.289 0 40 FKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)Nc1ccccc1 2718350 HZFFFJYTCBPKIR-UHFFFAOYSA-N 358.466 5.566 0 40 FKAB CCCCCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 3150363 QIVHIBIPRYGDIO-HNNXBMFYSA-N 365.732 5.190 0 40 FKAB COC(=O)c1ccc(N(C(=O)c2ccccc2)c2c(C)cccc2C)cc1 3175783 AVJMNLGEHRPUAO-UHFFFAOYSA-N 359.425 5.069 0 40 FKAB COc1ccc(OC(=O)c2ccccc2OCc2ccccc2Cl)cc1 3278867 FKXJVSDOXYYDJS-UHFFFAOYSA-N 368.816 5.147 0 40 FKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1nc2ccc(F)cc2s1 3293753 HWTRQODPQHVDEW-QPJJXVBHSA-N 366.339 5.106 0 40 FKAB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 3447135 BJQALGISSMJKPB-OAHLLOKOSA-N 364.828 5.221 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 4076934 RHVHNNKSHMILLK-UHFFFAOYSA-N 369.298 5.739 0 40 FKAB aggregator COc1ccc(-c2ccc(-c3nnc(/C=C/c4ccccc4)o3)cc2)cc1 4169224 MXKDKGVIIQOOSH-FRKPEAEDSA-N 354.409 5.583 0 40 FKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc4ccccc24)N3)C1 4545480 ILAJTFROHWFNHI-ZUOKHONESA-N 362.498 5.845 0 40 FKAB C(=C\c1ccnc2nc(SC/C=C/c3ccccc3)nn12)\c1ccccc1 5278476 KFLLCMHCSPCOIK-QSYVVUFSSA-N 370.481 5.100 0 40 FKAB c1ccc(CCCSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 5590833 DBHSNKUTRGABTC-UHFFFAOYSA-N 372.497 5.054 0 40 FKAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(Cl)c1 6272256 QMJFTYYHEWBDJH-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCSc2ccccc21 7269149 IHVCBZPZTVSTDJ-QFIPXVFZSA-N 373.521 5.562 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(F)c(F)cc1Cl 7670820 NVQRWEQILAWXQD-UHFFFAOYSA-N 374.799 5.633 0 40 FKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 8273691 LARACMMSXLQSRQ-UHFFFAOYSA-N 369.468 5.033 0 40 FKAB Cc1nc(SCc2cc(-c3ccco3)on2)c2c(C)c(C)sc2n1 8275705 JYISIQKYRNKJAZ-UHFFFAOYSA-N 357.460 5.157 0 40 FKAB CCc1sc(-c2nnc(CSc3ccc4ccccc4n3)o2)cc1C 8726639 UGIHDUKLJDBLGI-UHFFFAOYSA-N 367.499 5.509 0 40 FKAB Cc1nc(SCC(=O)C(C)(C)C)c2c(-c3cccs3)csc2n1 9806855 AMZGVURMRBDBOM-UHFFFAOYSA-N 362.545 5.436 0 40 FKAB Cc1ccc(SCCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10217889 IKZAVGVGUJVNJP-UHFFFAOYSA-N 369.515 5.025 0 40 FKAB COc1ccccc1-c1coc2cc(Nc3cc(C)cc(C)c3)ccc2c1=O 11865091 IFHYRLLMDMBFON-UHFFFAOYSA-N 371.436 5.829 0 40 FKAB biogenic O=C(Nc1c(Cl)cccc1Cl)C1=C(c2ccccc2)SCCO1 12389277 BJGWHQFZOUKJJH-UHFFFAOYSA-N 366.269 5.064 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1 12651636 GPQACEFWLPOHEI-UHFFFAOYSA-N 358.397 5.070 0 40 FKAB CCC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 12772098 OHXQJVQAGMPBQQ-NRFANRHFSA-N 368.480 5.493 0 40 FKAB Cc1cc2nc(-c3ccc(Cl)cc3Cl)oc2c(Br)c1C 20156802 XHIZPOZJSVPFCJ-UHFFFAOYSA-N 371.061 6.181 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc2ccccc12 22237701 NOFMZJLKZZXRTD-UHFFFAOYSA-N 373.481 5.625 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nccn1-c1ccccc1 25967958 ZTWGOYXUVJAGHA-INIZCTEOSA-N 365.502 5.115 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 30860203 RCYLPAOURIMCQG-ZEQRLZLVSA-N 373.496 5.367 0 40 FKAB Cc1ccc(C)c(NC(=O)CSCc2csc(-c3ccccc3)n2)c1 32778838 BNYPMRRLBGSBRL-UHFFFAOYSA-N 368.527 5.299 0 40 FKAB Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3ccc(Cl)cn23)c1 35616280 ILUIFUXOJFEYGS-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(COCc2ccco2)c1 47603185 HSCAVEUEWBWKED-HNNXBMFYSA-N 370.474 5.283 0 40 FKAB C1=C(Cc2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2CC1 51330416 LAXXUBCCEQBHTD-AHWVRZQESA-N 364.492 6.183 0 40 FKAB Cc1noc2ncc(C(=O)N(C3CC3)[C@@H](C)c3ccc4ccccc4c3)cc12 56379434 QJWZNWPUFYHPDR-HNNXBMFYSA-N 371.440 5.050 0 40 FKAB CCc1ccc2oc(-c3cc(NC(=O)CC(C)C)cc(C)c3O)nc2c1 70462034 DSTVIMDKHBRLJC-UHFFFAOYSA-N 352.434 5.056 0 40 FKAB C[C@@H]1CC=C(C[C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)C1(C)C 72332671 RKNFSNLCHNXQDD-OUPRXKBMSA-N 372.512 5.939 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1 78459000 AKEWWXCCVRFMEA-GHTZIAJQSA-N 353.506 5.462 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccccc1C(F)(F)F 84553478 LRKUBPCEWUYETC-UHFFFAOYSA-N 357.335 5.096 0 40 FKAB CCc1ccc(CC2=CN3C[C@@H](c4ccc(Cl)cc4)N=C3S2)cc1 101460321 DSYHVWPBNMEZOM-IBGZPJMESA-N 354.906 5.446 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 197711270 SCIYDDCGJYXEJS-UHFFFAOYSA-N 363.482 5.908 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 223545721 XHDWNWAREXJSDY-MRXNPFEDSA-N 357.519 5.636 0 40 FKAB C[C@H](CNC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 224093133 ADWOZOSBWWHDTP-GOSISDBHSA-N 361.510 5.512 0 40 FKAB S=C(NCCSCc1cccc(Cl)c1)Nc1ccccc1Cl 225298345 SFTCGPVCSBELHT-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB CC(C)C1(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 225854730 AQEZVWONHDVVAH-UHFFFAOYSA-N 364.864 5.614 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC=CC[C@@]43C)[C@H]1CC=C2CCc1ccccc1 245240914 VBTNPIPMZUSOJR-RKSFPMLDSA-N 360.585 7.364 0 40 FKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2)N1CCCC1 247939560 PCXUKFJMKJCKEX-ALQCLRNSSA-N 372.512 5.219 0 40 FKAB O=C(Nc1ccccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 408911246 MLBXRPWXQWPHAE-SAPNQHFASA-N 368.263 6.173 0 40 FKAB Cc1cc(OCc2ccc(Cl)cc2)c2c3c(c(=O)oc2c1)CCCC3 726164 WIXOLZWBFHIQOM-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 869922 ODJFCSDTTILUEC-UHFFFAOYSA-N 350.274 5.081 0 40 FKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccccc1 1036443 RKPRAOXHFXGIEW-UHFFFAOYSA-N 366.442 5.236 0 40 FKAB Fc1ccc(-c2onc3ccc(-c4ccn(-c5ccccc5F)n4)cc23)cc1 1401672 CBNSWUADAKDMSI-UHFFFAOYSA-N 373.362 5.626 0 40 FKAB CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OC 1799576 MVGUXYYVPMZIAV-ACCUITESSA-N 373.880 5.570 0 40 FKAB CCCCC(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl 2073566 APTVLZGLISNFJR-UHFFFAOYSA-N 358.869 5.338 0 40 FKAB CC(C)CCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 2384408 YUDAMGMENNASEI-UHFFFAOYSA-N 356.516 5.687 0 40 FKAB Fc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)c1 2699122 CCFDSQAIFLYELO-UHFFFAOYSA-N 371.390 5.530 0 40 FKAB CNc1ccc(CSc2ccc(C(F)(F)F)cn2)cc1C(F)(F)F 3125931 BMGMOZARWBTGQG-UHFFFAOYSA-N 366.330 5.453 0 40 FKAB Cc1cccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 4419846 RHGWWZUFRIQAIR-SDNWHVSQSA-N 372.855 5.518 0 40 FKAB CCOc1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1 4571792 XAZCFCCCCWTYDA-GOSISDBHSA-N 350.443 5.243 0 40 FKAB CCCOC(=O)C[C@@H](C(=O)OCCC)C(C)(C)/C=C(\C)C[C@@H](C)CCC 4783535 AGNQUSDMKNHBPT-DABYADSQSA-N 368.558 5.698 0 40 FKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccco1 5827227 IIDQQULATBGNCJ-UHFFFAOYSA-N 363.442 5.016 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C(F)(F)F)cc1 7706042 QYWUYHXPCDPPJM-NSHDSACASA-N 364.392 5.148 0 40 FKAB CCOc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccccc1 8325531 NKWDPQRXXKNNSL-LJQANCHMSA-N 361.485 5.515 0 40 FKAB Fc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1 10386529 ONSJPWUTMXPGTF-UHFFFAOYSA-N 374.206 5.005 0 40 FKAB Clc1cc(CNCCc2ccccc2)ccc1OCc1ccccc1 10474199 PUKMIEGITJJLJP-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB O=C(CSCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 10608374 RMQBXFMNCBLFFH-UHFFFAOYSA-N 361.510 5.149 0 40 FKAB O=C(Nc1cccc(CNCc2ccccc2F)c1)c1ccccc1Cl 14240248 UUYQZYJUWNCYLC-UHFFFAOYSA-N 368.839 5.021 0 40 FKAB O=C(Nc1ccccc1Cl)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 18044064 IZWQCYGTDFVOLL-VQHIRFFYSA-N 358.696 5.135 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)oc12 19887853 GYDGAXAEWRBUGQ-UHFFFAOYSA-N 373.408 5.273 0 40 FKAB C[C@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1Cl 24808241 IBHUPMSXEIGXAO-NSHDSACASA-N 365.235 5.638 0 40 FKAB CC(C)c1nnc(NC(=O)c2cc3sc4ccccc4c3s2)s1 25579029 ZHGVWTNZOZNHIZ-UHFFFAOYSA-N 359.501 5.343 0 40 FKAB O=C(CSc1cccc2cccc(Cl)c12)N(Cc1ccco1)C1CC1 29009821 KPKFGCRDOSKWPB-UHFFFAOYSA-N 371.889 5.370 0 40 FKAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccsc3)s2)o1 40110511 WKIBLWCFUBSTBS-AWEZNQCLSA-N 358.488 5.059 0 40 FKAB CC(C)C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 44845654 GRZYGKURDWOTIU-NRFANRHFSA-N 357.453 6.103 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@H]1[C@H]2CC[C@H]2CCCC[C@]12C 68562530 CJZNZDGODWVLOM-PSAFMIEJSA-N 358.569 7.222 0 40 FKAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72358011 WITWUHGIJGDHTD-OAQYLSRUSA-N 368.908 5.180 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(C)c(Cl)c3)cc2)cc1 106974941 SEVZCPCMBCFTEF-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)C(F)(F)F)CC[C@]3(C)[C@H]1CC2 118925374 OGQQARADPATKJB-BGZMIMFDSA-N 370.455 5.813 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222905575 RXSOHVACKZFZMJ-IAGOWNOFSA-N 353.531 5.065 0 40 FKAB COc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1C 223266613 HCNORFPLFLVQNG-UHFFFAOYSA-N 361.441 5.367 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 225630307 GPNMBINWPQRBOE-XMMPIXPASA-N 355.481 5.393 0 40 FKAB CC(C)Oc1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225661078 BPHJUMMKRDVUHS-QGZVFWFLSA-N 370.562 5.517 0 40 FKAB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 408620697 IWAYHCTXCCUBHW-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB CCCCCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 408737107 JEOFZBCEEQHAFR-JXAWBTAJSA-N 369.848 5.254 0 40 FKAB Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(F)cc1 409055193 XDFQOXQWDQWXBT-UHFFFAOYSA-N 370.493 5.413 0 40 FKAB O=C(NCc1cc(-c2ccoc2)cs1)NCc1cccc2ccccc12 1775971427 JRJKOFQWIIZADJ-UHFFFAOYSA-N 362.454 5.161 0 40 FKAB COc1ccccc1Nc1nc2ccccc2nc1Nc1ccccc1OC 809284 UQDWJQOYYFVUFI-UHFFFAOYSA-N 372.428 5.134 0 40 FKAB Cc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 992854 PNIAFZNRBNVJOK-NRFANRHFSA-N 364.828 5.429 0 40 FKAB CCc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 1255678 RRVMFWAJVYQTIC-CMDGGOBGSA-N 350.245 5.216 0 40 FKAB CCNc1nc(Oc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)n1 1396726 YBCBNGBLQRKHMU-UHFFFAOYSA-N 352.143 5.026 0 40 FKAB Cc1cccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc12 1445313 UXTCKYXJOYWVPJ-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB COc1cc(Nc2ccc(Oc3ccc(O)cc3)cc2)c2ncccc2c1 1717586 PHGYBLRYEBZGQT-UHFFFAOYSA-N 358.397 5.485 0 40 FKAB Clc1ccc([C@@H](CCNCc2ccccn2)Cc2ccccc2)cc1 2216380 NHZCBGAYEWCYOL-FQEVSTJZSA-N 350.893 5.241 0 40 FKAB CC(C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2715121 NUMIDBANYLUVIS-UHFFFAOYSA-N 362.864 5.561 0 40 FKAB O=P1(N2CCCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212499 WWDZHZVSHRFPQW-UHFFFAOYSA-N 351.386 5.778 0 40 FKAB O=C(CSc1ccccc1)Nc1ccccc1Sc1ccccc1 3224716 ZOVRGLDTMSQFRE-UHFFFAOYSA-N 351.496 5.569 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 3318142 AIEQJIBEPPMXSL-IBGZPJMESA-N 359.922 5.406 0 40 FKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cc(Cl)ccc3Cl)c2C1 3909362 WVCFEJZRZYIOPK-SNVBAGLBSA-N 367.276 5.385 0 40 FKAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Cl 4893440 BOCKHKPXFMOTOW-VIFPVBQESA-N 374.651 5.061 0 40 FKAB CC(C)(C)c1csc(NC(=O)c2ccccc2Nc2ccc(F)cc2)n1 6083104 MVYNYMVCPKALAL-UHFFFAOYSA-N 369.465 5.576 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(Cl)cc(Cl)c1 6270462 VOKSDJIDDZELMF-UHFFFAOYSA-N 372.679 5.753 0 40 FKAB O=C(Nc1ccccc1F)N(c1ccccc1)c1cccc2ccccc12 6344394 VSRDKOWWQGCMCQ-UHFFFAOYSA-N 356.400 6.349 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 6440227 JDESHSFLHHGBIN-MRXNPFEDSA-N 370.452 6.261 0 40 FKAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1ccccc1Cl 6927765 HXZHRCPTWLXKGN-UHFFFAOYSA-N 362.816 5.013 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1 8198142 HHNPOOOJXNMDPZ-HNNXBMFYSA-N 350.462 5.993 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 9064389 SEWCAVHPKIIXOV-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB Cc1ccc2nc(/C=C/c3cccc(NC(=O)C(F)(F)F)c3)ccc2c1 11330832 QCRAPHUPGDDPPB-SOFGYWHQSA-N 356.347 5.214 0 40 FKAB c1cncc(-c2nc(N[C@H]3CCSc4ccccc43)c3ccccc3n2)c1 12798550 YMASEVNNJLHRRD-IBGZPJMESA-N 370.481 5.341 0 40 FKAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(Cl)cc1 14388744 IKUXWEWRZMIZHK-CYBMUJFWSA-N 358.894 5.150 0 40 FKAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)s1 15580550 ZLUDTZDRXFEVGI-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB Cc1cc(F)ccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 28230012 GOUZLOVMZSLLTN-UHFFFAOYSA-N 365.404 5.047 0 40 FKAB CCOc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1 35373571 DKVMEPKRSRQIMG-UHFFFAOYSA-N 369.428 5.020 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O 38288602 MSINETGATWEUAB-AHCIIZGASA-N 360.497 5.691 0 40 FKAB in-vitro Cn1ccnc1[C@H](NCc1cccc2ccccc12)c1ccc(Cl)cc1 40012135 MAZHBMQXJCGOGZ-OAQYLSRUSA-N 361.876 5.106 0 40 FKAB CC(C)Oc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl 106989986 RIDYARHWOXKDBZ-UHFFFAOYSA-N 360.284 6.546 0 40 FKAB C1CCC(C[Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)CC1 195766542 UJARWOIVFBNHFM-UHFFFAOYSA-N 374.729 9.018 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1OC 216270659 UEEOXEOCSRSJCL-SFHVURJKSA-N 369.848 5.298 0 40 FKAB CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc2c(c1)CCCC2 223069105 LYGJBUKWUOQEEO-IBGZPJMESA-N 363.457 5.201 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cc2cc3ccccc3nc2s1 223129155 KBFXJUOEEJVOKG-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc2c3c(cccc13)CC2 223405573 QCAHATPBEZCDDO-UHFFFAOYSA-N 367.901 5.464 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224340826 DZDNBQBLZJBSQO-CQSZACIVSA-N 363.482 5.066 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225551690 JRHFWMAWESNFRN-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1C 225683614 QNKJQBVBBBPLHE-FQEVSTJZSA-N 357.881 5.323 0 40 FKAB Fc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1Cl 225808680 PWATYNNXMOFVAE-UHFFFAOYSA-N 372.896 5.552 0 40 FKAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12)C1CC1 225837196 IAFHJOQOJRYJRT-IVZQSRNASA-N 355.478 5.161 0 40 FKAB CCCC(CCC)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362656 SHEUHXJIXROWTE-UHFFFAOYSA-N 367.205 5.747 0 40 FKAB C[C@H]1CCc2c(C(=O)Nc3nc4c(Cl)cccc4s3)csc2C1 648088 RJWZYDAMLUMCLA-VIFPVBQESA-N 362.907 5.388 0 40 FKAB Cc1ccc2cccc(OC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2n1 677443 NDOVYQJGPBHUTC-UHFFFAOYSA-N 363.800 5.676 0 40 FKAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2c1 898945 GUINMHRRLOXMKW-UHFFFAOYSA-N 367.861 5.246 0 40 FKAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccccc3)c(C)s2)c1C 959347 WJANEYGAGWNPPX-UHFFFAOYSA-N 366.486 5.061 0 40 FKAB CC(C)[C@@H](CC(=O)NCC[C@@]1(C(C)C)CCOC(C)(C)C1)c1ccco1 2148345 NHZYBKGTVOGHHW-XMSQKQJNSA-N 363.542 5.147 0 40 FKAB biogenic COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 2333745 OQZLOYFRRCSQLK-OAHLLOKOSA-N 370.183 5.046 0 40 FKAB CC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1 2350754 WZZSCTHMUHIZED-OAQYLSRUSA-N 357.494 5.245 0 40 FKAB CCN(CC)c1ccc2cc(-c3cccc(Br)c3)c(=O)oc2c1 2510880 FVDGLDPOEBIXNH-UHFFFAOYSA-N 372.262 5.069 0 40 FKAB biogenic O=C(Nc1ccncc1)c1cccc(COc2ccc3ccccc3c2)c1 2769034 GEHQQMKMYDSGBT-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB O=C(CCCc1ccccc1)Nc1cccc(-c2nc3cccnc3s2)c1 2961420 VTSMUTSRMOQKRD-UHFFFAOYSA-N 373.481 5.320 0 40 FKAB Cc1ccc(-c2nnc(C)c(Sc3c(Cl)cccc3Cl)n2)cc1 3050290 WEIRGDDIVCIMHM-UHFFFAOYSA-N 362.285 5.613 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3109499 AMHHBOKSUXGAEE-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)o1 3904768 IPOLBBALHMLDKO-WIYYLYMNSA-N 364.832 5.484 0 40 FKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1c(F)cccc1F 4071275 PDNBPULYLZIYRN-UHFFFAOYSA-N 366.392 5.494 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1F 5185913 DSTJELGMQJTMRI-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 5230451 JKMWTLBCBAHXAC-DVVIIAGPSA-N 374.653 7.079 0 40 FKAB Cc1noc(C)c1CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5269732 WUSNYBGVNABRNQ-UHFFFAOYSA-N 373.528 5.764 0 40 FKAB Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 5485226 KWZITGFDRCTTQD-PXNSSMCTSA-N 360.457 5.489 0 40 FKAB Clc1ccc(-c2nnc(CSc3nc4ccccc4s3)o2)cc1 5629096 QXKVXEGNRSPAEQ-UHFFFAOYSA-N 359.863 5.292 0 40 FKAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 6152569 BZCNBYQBYYHQEQ-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 6207108 ZVAWAEYREZGBCF-UHFFFAOYSA-N 361.470 5.187 0 40 FKAB COc1cc(C)c(NC(=O)c2cccc(Oc3ccccc3)c2)cc1OC 6259136 DXSKQWUTYGQNBE-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB CC(C)c1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6510234 KHVSGMYKERBGDA-ZDUSSCGKSA-N 365.304 5.406 0 40 FKAB CC[C@H](C)Cc1c(C)sc2nc(CNc3ccc(C)c(C)c3)[nH]c(=O)c12 7002482 DWTJPOIERRUJIM-LBPRGKRZSA-N 369.534 5.111 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2C)o1 7006746 UEEOQIYAEGIAQS-UHFFFAOYSA-N 357.413 5.001 0 40 FKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 8113550 FCGRAWFCEAJUDB-UHFFFAOYSA-N 365.429 5.690 0 40 FKAB CC[C@H](c1ccccc1)c1nn2c(CSc3ccccc3)nnc2s1 8393193 MEFHFJMBTSOUHR-MRXNPFEDSA-N 366.515 5.020 0 40 FKAB C[C@@H](NCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 8535338 WQFZPKNIEKBXCQ-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB CC(C)Oc1ccc([C@@H](N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9054209 PCQWAAMGLVFKII-UNMCSNQZSA-N 353.506 5.110 0 40 FKAB CCN(CC)c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 9188325 IHNDORNOBFWJFS-UHFFFAOYSA-N 366.574 5.163 0 40 FKAB O=C(c1cccc(F)c1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185215 UFROLIHXSWCQSX-QGZVFWFLSA-N 370.449 5.300 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1=C(c2ccccc2)SCCO1 12389104 DOTZVDXTVIWMTP-UHFFFAOYSA-N 366.269 5.064 0 40 FKAB Cc1ccc(-c2nnc([C@@H](C)Sc3cccc(C(F)(F)F)c3)o2)cc1 12861775 CEJUGNQNCSJHGQ-GFCCVEGCSA-N 364.392 5.917 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(C)cc3)c2C)cc1 17073618 NUTBLPMCRQJUMD-UHFFFAOYSA-N 356.444 6.271 0 40 FKAB CC(C)(C)c1cc(-c2nn3c(C(C)(C)C)nnc3s2)cc(C(C)(C)C)c1 17172977 GVGAFIXITNUJHZ-UHFFFAOYSA-N 370.566 5.745 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1Cl 22237709 VDLVLPKTPILPPA-UHFFFAOYSA-N 357.866 5.125 0 40 FKAB C[C@@H]1CCCN(C(=O)c2ccc(/C=C/c3ccc4ccccc4n3)cc2)C1 40151201 VAEVHJSWMHSQRH-PMXLPMHFSA-N 356.469 5.277 0 40 FKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccccc2)cc1 44085334 VTCYHKLREYMFIX-UHFFFAOYSA-N 350.487 5.583 0 40 FKAB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1cccc2ccccc12 49544222 VTHZPFSJUIIRPC-GOSISDBHSA-N 351.475 5.216 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(CC)cc3)no2)cc1 61997097 OHBZOJYIHHUUNG-UHFFFAOYSA-N 364.445 5.335 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]([C@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 100898893 QBYJBZPUGVGKQQ-VFBQXPTHSA-N 364.914 5.270 0 40 FKAB biogenic,in-vitro Cc1ccc(C(C)C)c(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1 222908993 YYQSXAYCCXYQAB-UHFFFAOYSA-N 367.533 5.370 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccccc1 222910899 YJAMMSGZSFRMOC-HXUWFJFHSA-N 371.546 5.050 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OCC 224728175 OGFDGICDLGMEIX-UHFFFAOYSA-N 371.477 5.053 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c2ccccc12 225851063 UACVYOLFVAHUIT-UHFFFAOYSA-N 369.505 5.697 0 40 FKAB CC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccc(O)cc12 226758914 LMGVJOJYAHXEST-UHFFFAOYSA-N 365.473 5.234 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2Cl)cc1 409120554 UFSOHKIOMKXIBX-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 797278 ZMZJRWCBIOIMHX-UHFFFAOYSA-N 368.230 5.494 0 40 FKAB CN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 882016 WOMUYLFAMLVJBV-UHFFFAOYSA-N 350.487 5.384 0 40 FKAB COc1ccc(-c2c(-c3ccccc3)c3ccc(OC)cc3oc2=O)cc1 1080965 IYNKBZZOQXQXDF-UHFFFAOYSA-N 358.393 5.144 0 40 FKAB biogenic Cc1nc(SCC(=O)c2ccccc2)c2c3c(sc2n1)C[C@@H](C)CC3 1326151 DECJHNWAFFONSX-LBPRGKRZSA-N 368.527 5.100 0 40 FKAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccc(Cl)cc1 1463144 BURPUYMQBPQTPK-JOCHJYFZSA-N 373.839 5.835 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1OC 1934687 NLAMUJOGNXBMAI-WYMLVPIESA-N 361.441 5.289 0 40 FKAB CC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2450007 RHWGGYYINIKWCX-UHFFFAOYSA-N 368.480 5.922 0 40 FKAB CC(C)c1ccc(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)c(C(C)C)c1 2626645 AEICNKJGGIBNDQ-OAHLLOKOSA-N 354.446 5.312 0 40 FKAB S=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 2646947 XOVPRTAHAMBUCB-UHFFFAOYSA-N 366.917 5.739 0 40 FKAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(Cl)cc1 2720937 JLUSZAQJGCLJSR-UHFFFAOYSA-N 369.877 5.023 0 40 FKAB CCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3193968 AYXHQMXMQYMDBG-UHFFFAOYSA-N 368.480 6.590 0 40 FKAB CC(C)(C)c1ccc(CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 4567326 TWLXQFVYZOVWDE-QGOAFFKASA-N 351.471 5.221 0 40 FKAB CSc1nc(SCc2ccccc2F)c2c3c(sc2n1)CCC3 5345004 JVBNHYUZAJDAJV-UHFFFAOYSA-N 362.520 5.333 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 5515875 DRSPVCXBVVVLIJ-WBLPJHHHSA-N 356.506 5.659 0 40 FKAB Cc1ccc(Sc2ncccc2C(=O)Nc2cccc3ncccc23)cc1 5937935 CLVWNGAEFPVWEG-UHFFFAOYSA-N 371.465 5.342 0 40 FKAB Clc1cc2c(c(CSc3nc4ccc(Cl)cc4o3)c1)OCOC2 6399680 PIFRQJJYEFPUTG-UHFFFAOYSA-N 368.241 5.293 0 40 FKAB CC(=O)N(c1ccccc1)c1nc(/C=C/c2ccc3ccccc3n2)cs1 8706054 QLKUKXKGMATZCV-BUHFOSPRSA-N 371.465 5.546 0 40 FKAB CSc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1 8992069 RASPWNXFOXAGAV-LJQANCHMSA-N 365.527 5.859 0 40 FKAB Clc1ccc(-n2ccnc2SCc2cccc3ccccc23)cc1 12551718 ZHTROBTUMHHNLB-UHFFFAOYSA-N 350.874 5.971 0 40 FKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2(c3ccccc3)CC2)c1 12944855 AJRYSYBMNRNLSA-UHFFFAOYSA-N 371.440 5.001 0 40 FKAB CC(C)(C)[C@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3F)c2C1 12970690 XNEMFXUKRFKHID-AWEZNQCLSA-N 367.895 6.845 0 40 FKAB Clc1ccc([C@H](SC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc2)cc1 15456801 DTXXLHVMDKBRTQ-CEXWTWQISA-N 356.922 5.433 0 40 FKAB Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 16349571 MVRJSIDSVRBZCJ-PKNBQFBNSA-N 351.833 5.869 0 40 FKAB Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 19691879 JCKCLFXDLUEBFF-NRFANRHFSA-N 374.528 5.043 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 19933235 GZHRVJCNAYFWIC-SFHVURJKSA-N 364.533 5.296 0 40 FKAB Cc1ccc(-c2cc(CSc3nnc(-c4cccs4)o3)on2)cc1 32325655 AWQVMSPZZLOMFP-UHFFFAOYSA-N 355.444 5.054 0 40 FKAB C[C@@H]1CCN(C(=O)CSc2ccc3c(c2)CCC3)c2ccccc2S1 32719156 LZLALLREOVDVEI-OAHLLOKOSA-N 369.555 5.185 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCCCCC1 48333778 NDYCCFZNMFZWNJ-UHFFFAOYSA-N 374.484 5.481 0 40 FKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1 59094288 ZNEDPRGPTZCUIE-UHFFFAOYSA-N 364.514 5.421 0 40 FKAB Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297332 YTGCRWRKFPLSSD-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 84139903 GNDHUWXUWVPFFS-UHFFFAOYSA-N 370.836 5.155 0 40 FKAB CC[C@H](N[C@@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 95968425 PJSBTOJEZIVMGA-UGSOOPFHSA-N 355.482 5.455 0 40 FKAB Fc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccccc3)=NN2)cc1 96837283 JWLDCQITIXNJQP-UHFFFAOYSA-N 365.411 5.413 0 40 FKAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1C(C)C 224234686 OJQMVNPIJJSUHH-UHFFFAOYSA-N 369.505 5.174 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(C)c(C)c2)c1 224625608 NQCXZCUWOSRGJM-SFHVURJKSA-N 369.505 5.200 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 224787090 VVGPEJILCBASRR-NHCUHLMSSA-N 369.505 5.045 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1 225086506 JHEPNUZIOFLMHQ-SFHVURJKSA-N 361.224 5.221 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225766957 ZKLUZHQMZRAOGN-QHCPKHFHSA-N 374.553 5.996 0 40 FKAB CC(C)c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225843790 DAAFMMWJKZYUDL-UHFFFAOYSA-N 366.574 6.042 0 40 FKAB COc1cc(Br)c2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 226342670 LQGIHBDRNGAMIJ-UHFFFAOYSA-N 359.267 5.299 0 40 FKAB CC1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 408575235 NIJWIHCEMZLREJ-UHFFFAOYSA-N 359.922 5.326 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408587819 UVKFYOYTUIVLBZ-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 408623289 SLTZCUUKFVLDMN-UHFFFAOYSA-N 364.150 5.273 0 40 FKAB Cc1ccc(CSCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 409173646 NPNOYGHBFHBNDQ-UHFFFAOYSA-N 361.510 5.325 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 951505 WZSBWFXKLOXMJZ-GQCTYLIASA-N 370.663 5.616 0 40 FKAB CCOc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 1256386 XYXRHZQYEDTUDV-CMDGGOBGSA-N 366.244 5.053 0 40 FKAB N=C(N)c1ccc2c(c1)N[C@H](c1cccc(Cl)c1)[C@H]1Cc3ccccc3[C@H]21 1492151 CIYKSLZWCNNELN-KSEOMHKRSA-N 373.887 5.095 0 40 FKAB CCCCCNc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2286449 RYZUPTSFIMPUAJ-UHFFFAOYSA-N 370.522 5.001 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1(c2ccccc2)CCCC1 2512612 COULMVBYLBMOBG-UHFFFAOYSA-N 357.453 5.929 0 40 FKAB CCOc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 3208129 PMYBEUCEGGEAGF-UHFFFAOYSA-N 372.512 5.728 0 40 FKAB Cc1cc2ncn(-c3ncnc4sc(-c5ccccc5)cc34)c2cc1C 3215871 GNHPDWLRENAUQW-UHFFFAOYSA-N 356.454 5.314 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 3451197 GAJATBPDZMYUKI-GOSISDBHSA-N 372.468 5.047 0 40 FKAB O=C(Nc1ccc(Br)cc1)c1cc(Cl)sc1Cl 4173467 UZPPGVXLDVWVGB-UHFFFAOYSA-N 351.052 5.070 0 40 FKAB CCCCCN(CCCCC)C(=O)CCCCCCCCC(=O)OC 4413241 GTZDDHFIIWVBJD-UHFFFAOYSA-N 355.563 5.489 0 40 FKAB CC(C)(C)c1cc(C(C)(C)C)n(Cn2nc(C(C)(C)C)cc2C(C)(C)C)n1 4671518 HQHXWQBPTFQSNC-UHFFFAOYSA-N 372.601 5.775 0 40 FKAB COc1ccc2ccccc2c1[S@@](=O)Nc1cccc(C(F)(F)F)c1 5703813 OPZBRSHYBUOAKW-VWLOTQADSA-N 365.376 5.002 0 40 FKAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc2cc1O 5967799 XRAUJZYUIALXSM-UHFFFAOYSA-N 365.454 5.461 0 40 FKAB biogenic O=C(Cc1ccccc1F)Nc1cc(Cl)ccc1Oc1ccccc1 6221178 YNTXWEOXRZNNNI-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB Cc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1C 7158564 MNSUKUTVEWYBFP-UHFFFAOYSA-N 361.510 5.765 0 40 FKAB COc1ccc(-c2nc(-c3cccc(NC(=O)C4CC4)c3)sc2C)cc1 8042068 DNBAJSFJRNGYGN-UHFFFAOYSA-N 364.470 5.143 0 40 FKAB Cc1ccc(Cn2nc(C)c(/C=C/c3ccc4ccccc4n3)c2C)cc1 12554548 ZVWBSFJTGJFLKN-CCEZHUSRSA-N 353.469 5.575 0 40 FKAB CCC(C)(C)C1CCC2(CC1)S[C@H](C)C(=O)N2c1ccc(OC)cc1 15228423 HKQLWJABEKWDHZ-IZINQKCZSA-N 361.551 5.486 0 40 FKAB Clc1ccc(-c2csc(SCc3cn4ccccc4n3)n2)cc1 16545916 RFIMVZWQPCYEPL-UHFFFAOYSA-N 357.891 5.404 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)c(C)c1 20036960 QNKVXYDIGKLSOT-IBGZPJMESA-N 359.469 5.373 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)O)c3C)o2)cc1Cl 20140313 NJCBIFIYXYJQQR-UHFFFAOYSA-N 369.804 5.167 0 40 FKAB CCCCn1nc(NC(=O)c2cccc(C)c2)c2cc3cc(C)ccc3nc21 21596591 ZKEUVXHLVDPIBK-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB O=C(Nc1cccc(-c2noc(C3CCCCC3)n2)c1)c1cccs1 32610292 IJJMWBAXRYQCNJ-UHFFFAOYSA-N 353.447 5.098 0 40 FKAB Cc1csc(N(C(=O)C(C)(C)Oc2ccc(F)cc2)c2ccccc2)n1 36773678 WAQADIBHBLEGEM-UHFFFAOYSA-N 370.449 5.113 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1C 39968752 FBMZNTANRAHSQX-KRWDZBQOSA-N 350.890 5.534 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2c1CCCC2 50012190 IRWBCTUPYJMKND-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB O=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccccc1C(F)(F)F 51354236 NFFKJPPKWMWXMX-UHFFFAOYSA-N 364.245 5.248 0 40 FKAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(-c3ccccc3)cc2)c1 58159922 HXHQJZNAXBUNDE-MRXNPFEDSA-N 373.456 5.195 0 40 FKAB Cc1ccc(F)cc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 71761613 UHGAYPVRYCPVEU-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CCN(c1ccc(C)cc1)c1ccc(C(=O)NCc2ccc(C)cc2)cc1 78582397 DRGOGWRRWMTFPN-UHFFFAOYSA-N 358.485 5.391 0 40 FKAB C[C@]12CC3CC(NC(=O)c4cc(F)c(F)cc4Cl)(C1)C[C@](C)(C3)C2 100136229 MJTAYMHVUBVPFE-RXKNRWKQSA-N 353.840 5.097 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 100640256 QRNWSZQYLIEBMM-NRFANRHFSA-N 362.429 5.287 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223029868 LBIHEVLAOLVBKY-QGZVFWFLSA-N 363.910 5.557 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2O1 225301886 CLVMCVGZNVPGIT-LJQANCHMSA-N 371.908 5.471 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225510861 YVGFUXYEBGSKGQ-IBGZPJMESA-N 365.517 5.931 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)NC1CCCCC1 225756141 SDZLCAVGQAKLFL-UHFFFAOYSA-N 356.853 5.025 0 40 FKAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Nc1ccccc1C(F)(F)F 253471919 GPYLRWFJVALOBV-GFCCVEGCSA-N 362.351 5.204 0 40 FKAB CN(CC1CCCCCCC1)C1CCC2(CC1)CNCc1ccccc1O2 257257516 KPZAEYCJXRLDBH-UHFFFAOYSA-N 370.581 5.142 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1 409113541 GUFROMAOPCKJNJ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB c1ccc(OCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1 710257 XSPJAUBXQQGGLQ-UHFFFAOYSA-N 364.448 5.817 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccccc1-c1ccccc1 832756 SLTHADYBQRWDDO-UHFFFAOYSA-N 353.421 5.524 0 40 FKAB CC1(C)Nc2ccccc2-c2c1sn(Cc1ccc(Cl)cc1)c2=S 1064453 YZOVVVCEADYOKU-UHFFFAOYSA-N 372.946 6.308 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 1240552 QLROESCQPQRBGR-UHFFFAOYSA-N 357.413 5.266 0 40 FKAB CCN(CC)CCSCCCNc1c(C)cnc2cc(Cl)ccc12 1729627 DXXIJCMRAMZLTK-UHFFFAOYSA-N 365.974 5.074 0 40 FKAB CCc1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1775888 OLBFNXIJLATHSI-UHFFFAOYSA-N 352.261 5.354 0 40 FKAB Cc1cc(Oc2nc(-c3ccccn3)nc3ccccc23)cc(C)c1Cl 2245836 QALHOOVUGLCDFL-UHFFFAOYSA-N 361.832 5.754 0 40 FKAB Cc1ccc(CNC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1 2740087 BLNBHPUGOPZITI-UHFFFAOYSA-N 366.464 5.449 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 3050776 HYXBWTYBGILTAZ-SFHVURJKSA-N 366.505 5.508 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 4070412 ABNQFTVBUJTBHF-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)c1nnc(-c2ccccc2)o1 5281350 NCNAQAYEWADOIB-MRXNPFEDSA-N 370.408 5.108 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1C 6216402 VMIUMNFGNYAZCJ-UHFFFAOYSA-N 360.841 5.472 0 40 FKAB CCN(C(=S)Nc1ccccc1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 6241787 WGTJOZNUHWRJIN-AWEZNQCLSA-N 366.452 5.355 0 40 FKAB CSCc1c(C(=O)Nc2nc3ccc(F)cc3s2)oc2ccccc12 6580518 JOJDVZKJAIYMFC-UHFFFAOYSA-N 372.446 5.297 0 40 FKAB CCN1C(=O)c2cc(NC(=O)c3ccccc3C)ccc2Oc2ccccc21 9134541 QWXXGBPBKRRZMI-UHFFFAOYSA-N 372.424 5.020 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1 9306363 FQUITFNXNKTGOM-CQSZACIVSA-N 362.860 6.025 0 40 FKAB O=C(/C=C/c1cccc(F)c1)Nc1ccccc1-c1nc2ccccc2[nH]1 12602765 LPCVZPWSYQMUGH-OUKQBFOZSA-N 357.388 5.021 0 40 FKAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 12914690 QBDMFKQIRBZFTA-UHFFFAOYSA-N 372.468 5.591 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1sc(-c2ccsc2)nc1C 12923496 ICKZUMGROUXTCC-UHFFFAOYSA-N 356.516 5.557 0 40 FKAB CCc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@@H]2c1cccnc1 14607648 SUGQAFMTVIUKDP-HXUWFJFHSA-N 368.440 5.214 0 40 FKAB Fc1ccc(Oc2nc3ccccc3nc2Oc2ccc(F)cc2)cc1 20031930 FFFJYPHILSOVLD-UHFFFAOYSA-N 350.324 5.493 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(C)C)cc1 20042409 LCFYUSPZKJCSKC-SFHVURJKSA-N 363.910 5.637 0 40 FKAB Cc1noc([C@H](C)Sc2nc(C)nc3sc(-c4ccccc4)cc23)n1 22830969 LLKVAJKZIUXOOM-JTQLQIEISA-N 368.487 5.211 0 40 FKAB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 30871498 AZKOEMYJMAHZIN-DBEXCURXSA-N 364.272 5.283 0 40 FKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)cccc2C)c1 35146726 QRDLQUSBGMHURY-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 38756866 RLPDTFXKXBYYMR-UHFFFAOYSA-N 363.888 5.521 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccc(Br)cc2C)c1 65700961 WEAYHBPXZMZUAM-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 78458280 ZTGBFLNPVLITNI-HZPDHXFCSA-N 359.897 5.164 0 40 FKAB COc1ccc(-c2cs/c(=N/Cc3ccccc3)n2-c2ccccc2)cc1 100929528 XDLLMOGXQABNNR-WCWDXBQESA-N 372.493 5.315 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc(O)cc2)c2ccccc21 101429169 FXTZLCCDHWXDQP-QFIPXVFZSA-N 357.434 5.643 0 40 FKAB CC[C@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCCC2 223019600 YLJYMFQRAMLHCR-NRFANRHFSA-N 353.531 5.315 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(C)cc1 224120453 FIHPUOMIXPKFAY-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OC4CCCC4)cc3)CCCC2)c1 225509078 CNPVFLJMCORKCB-UHFFFAOYSA-N 363.501 5.767 0 40 FKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC(C)C 225548893 DQEYSDNEKODYCT-UHFFFAOYSA-N 369.480 5.762 0 40 FKAB Clc1ccc(Br)cc1-c1nc2c(ccc3ccccc32)o1 226300324 FMDFVCXPCZPDME-UHFFFAOYSA-N 358.622 6.064 0 40 FKAB S=C(NCc1ccccc1)c1cccc(OCc2ccc(Cl)cc2)c1 408571198 AATQLYPDRUFSDJ-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409069390 ITEQWNSYSPRQQV-NTEUORMPSA-N 367.348 5.022 0 40 FKAB O=C(NCc1ccc(-c2ccsc2)o1)NCc1cccc2ccccc12 575611849 YJISYOJDGOFGAE-UHFFFAOYSA-N 362.454 5.161 0 40 FKAB COc1ccc(N[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 1776111120 LGJLUTXKXUGMLI-HXUWFJFHSA-N 351.833 5.385 0 40 FKAB Oc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 976124 YUHNOZKSLBIWBM-UHFFFAOYSA-N 353.230 5.041 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc2ccccc12 1774744 QKHZFNVOWGDTLJ-UHFFFAOYSA-N 370.452 5.925 0 40 FKAB CCc1ccccc1-n1sc2c(c1=S)-c1cc(C)ccc1NC2(C)C 2290773 XYXPNIKZQPLRER-UHFFFAOYSA-N 366.555 6.467 0 40 FKAB Clc1ccc(-c2nc(N3CCCCC3)c3oc4ccccc4c3n2)cc1 2406062 WQDHJJIGUHPVNY-UHFFFAOYSA-N 363.848 5.687 0 40 FKAB Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Br 2512710 IFMPHUSNVOCYFK-UHFFFAOYSA-N 358.279 5.208 0 40 FKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3cccc(F)c3)n2)cc1 2733489 DLEYZNVOGUEOIZ-UHFFFAOYSA-N 374.415 5.363 0 40 FKAB Clc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)c(Cl)c1 3220214 DMPZWVXTWMGADU-UHFFFAOYSA-N 367.235 6.396 0 40 FKAB CSc1ccc(Cl)c(C(=O)OCc2ccc(Cl)cc2Cl)c1 3341703 ACGAWIXJRFKZIJ-UHFFFAOYSA-N 361.677 5.726 0 40 FKAB CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@@H]1[C@H]2C 4027937 YMIQZMUWJPTDGH-ZVFHHKHZSA-N 366.457 5.043 0 40 FKAB Clc1ccc(C2=Nc3ccccc3S[C@H](c3cccs3)C2)cc1 5722741 WBUIMWIRPFWXLD-IBGZPJMESA-N 355.915 6.759 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C(C)C)cc1Cl 6084046 AHIIRYMGMHJSSM-UHFFFAOYSA-N 370.251 5.582 0 40 FKAB CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](C)C2 6455806 ATOHLLCSLHUYIC-LBPRGKRZSA-N 370.543 5.744 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 6860759 DGITVMUSFTWKDH-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2c(C)noc2C)c1 8189552 UVACCUFJMBWCMZ-UHFFFAOYSA-N 356.809 5.298 0 40 FKAB CCCCSc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 8914284 UYCNVISHEFSJBX-UHFFFAOYSA-N 354.519 5.087 0 40 FKAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2ccccc2c(=O)s1 12274445 NGPRZVKZOKHCII-UHFFFAOYSA-N 373.433 5.306 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)N1CCCc2ccccc21 13668158 PFBKOWFFVNIITF-UHFFFAOYSA-N 366.313 5.206 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(OC(C)C)cc2)s1 15840187 ZCJIXIKELYFRFN-UHFFFAOYSA-N 372.515 5.148 0 40 FKAB CN(C)/C=C(/C(=S)N(c1ccccc1)c1ccccc1)c1ccccc1 16163009 ANGSZHNSQHVGGM-RELWKKBWSA-N 358.510 5.755 0 40 FKAB O=C(c1ccccc1)[C@@H]1Nc2ccc(Cl)cc2[C@H]2c3ccccc3C[C@@H]12 17212117 XUTQDVBWBVTKPY-CEMLEFRQSA-N 359.856 5.321 0 40 FKAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3cccc(Cl)c3)o2)s1 19217739 XQBHURWWXYDFLY-OAHLLOKOSA-N 359.882 5.097 0 40 FKAB C[C@H](CNc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 19737836 FBSQJAPMKBIGCK-SECBINFHSA-N 365.087 6.180 0 40 FKAB Clc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1 19738216 HSFJNVFNCFLBGB-UHFFFAOYSA-N 353.849 5.410 0 40 FKAB O[C@@H](CNCc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 19872482 ASLRYPGIFKSHGM-SFHVURJKSA-N 362.256 5.077 0 40 FKAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)cc1 20042895 LRANFRBVIHFGLZ-XMMPIXPASA-N 357.497 5.785 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1 20490559 GIEPDQVFHHFDIS-HQXXTQMQSA-N 355.481 5.721 0 40 FKAB CCc1nn2c(Nc3ccc(C(C)C)cc3)cc(C)nc2c1-c1ccccc1 27586279 AEPQFJUAZKZPHK-UHFFFAOYSA-N 370.500 6.134 0 40 FKAB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)cc1 35043332 AFCXAFHOIPQGEF-QGOAFFKASA-N 370.905 5.765 0 40 FKAB CN(Cc1ccccn1)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 58568511 WFMGGQFTTDQGIJ-ZRDIBKRKSA-N 368.889 5.135 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccccc2Cc2ccccc2)c1 65695587 HTHTVFZEBLAYOL-UHFFFAOYSA-N 350.462 5.534 0 40 FKAB CCOC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635316 LYSVLKLQRJGJNY-UHFFFAOYSA-N 352.242 5.447 0 40 FKAB CC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118929291 KYOSVBVRSIAGAV-NEMALMJRSA-N 360.538 5.166 0 40 FKAB CC(C)=CCC[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118932835 IWHFMVBOQJXVPS-YBKQAGBYSA-N 372.637 7.143 0 40 FKAB COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 136494371 SOLFGTIEYURABM-JHOKLZQASA-N 361.557 5.467 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCCC2)cc1 219320397 YBKFHUSVCMDAAH-IBGZPJMESA-N 373.880 5.458 0 40 FKAB Cc1ccc([C@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2)cc1 222893931 AHHLHCMQBMJZCW-XMMPIXPASA-N 369.508 5.713 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1 224607265 AQBMGIAQFNAZJG-MRXNPFEDSA-N 359.425 5.609 0 40 FKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CSCc2ccccc2)cc1 408860839 GJIGVYJNEAFXMO-SESVDKBCSA-N 351.515 5.038 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cc(-c2ccc(F)cc2)no1 1775977155 WMHQTLNNMJEOKT-IAQYHMDHSA-N 369.223 5.010 0 40 FKAB COc1ccccc1NC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1 825286 KAGZYQDUYJUHIB-OAQYLSRUSA-N 371.480 5.257 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 826193 BXTCRDUUQUPFMQ-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB C[C@H]1C[C@H](Nc2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 855422 KBDDQGYSDPGCQE-KKSFZXQISA-N 360.432 5.418 0 40 FKAB Cc1cc(C)cc(NC(=O)CSCc2c(C)c(C)c(C)c(C)c2C)c1 1095899 YOZNJMRKUPMDLY-UHFFFAOYSA-N 355.547 5.717 0 40 FKAB COc1cccc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1 3351522 WDCBOBORLAZZRS-HXUWFJFHSA-N 367.445 5.306 0 40 FKAB O=C(c1cccs1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 3648677 GGXNXUOILTZNPP-UHFFFAOYSA-N 365.429 5.152 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccc(Cl)cc2)(CCC(C)C)CCO1 5297405 CVNUMWUDLRWDOU-VXKWHMMOSA-N 365.989 6.221 0 40 FKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(Cl)cc1 5403868 SSHPAZRKYYQDCQ-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1CCc1ccccc1 5872311 ZBIIYXWMMPSJAF-UHFFFAOYSA-N 370.279 6.031 0 40 FKAB COc1ccc(Cl)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 6245274 DJPNPQDFHGEHTB-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB COc1ccc(-c2csc3ncnc(N(C)Cc4cccs4)c23)cc1 7780246 ZYDCJELHACLLHO-UHFFFAOYSA-N 367.499 5.065 0 40 FKAB C[C@@H](NC(=O)c1sccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 7986183 CLIIKQLTBLDQNP-MRXNPFEDSA-N 373.481 5.092 0 40 FKAB O=C(CCC1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 8086422 TXYGQKKCDYEFMF-UHFFFAOYSA-N 356.535 5.363 0 40 FKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccc(OC)c1 8653728 MBPIAHWUSUKDGB-QHCPKHFHSA-N 355.441 5.099 0 40 FKAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 10156537 QYKCAADCNMZRCB-HNNXBMFYSA-N 363.848 5.095 0 40 FKAB O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1)C1CC1 11180963 RHGXRQAOXHNEQJ-UHFFFAOYSA-N 356.397 5.104 0 40 FKAB Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc12 12042812 JVXJMJVEYUSCMR-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB O=C1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)c2sccc2N1 12375546 OKAAUKKBUQGBLG-MRXNPFEDSA-N 369.873 5.455 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](CC(C)C)c1ccccc1 12852206 CZXDXSMJNDULAZ-SFHVURJKSA-N 365.502 5.031 0 40 FKAB O=C(Nc1ccccc1)O[C@H]1CCCCC[C@H]1OC(=O)Nc1ccccc1 13407632 CXEUJQXHHJWTCM-KDURUIRLSA-N 368.433 5.185 0 40 FKAB biogenic CC(C)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13717189 AKJKIAUNQJZLIX-UHFFFAOYSA-N 360.482 6.645 0 40 FKAB Cc1ccc(N2C(=N)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1C 16312207 BWSWOXKUONICPU-ZSNHWOOMSA-N 350.487 5.483 0 40 FKAB Fc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)c(Cl)c1 16842545 CBSMRNGLBNODFD-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 19931732 CCCLNHCSVRSZIU-UHFFFAOYSA-N 354.519 5.037 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1 20411179 IQBVHSNZTZGKSV-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB Fc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccccc3Cl)c12 21017476 VABSEHDZWFKTDJ-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc(C)c1Cl 21312005 QZGHIPUDNMSTSM-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2C2CC2)cc1 67259747 NSDPUZCRQOTYOT-UHFFFAOYSA-N 370.543 5.383 0 40 FKAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72213446 HFZPQSYLGOYNSS-PXNSSMCTSA-N 367.493 5.156 0 40 FKAB CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215674 PRWFZDQJQHAAFP-IBGZPJMESA-N 373.541 5.313 0 40 FKAB Cc1ccc(CN2CCCC3(CCN(Cc4ccc(F)cc4)CC3)C2)cc1 96047378 BMQLGLGGFCZOGH-UHFFFAOYSA-N 366.524 5.012 0 40 FKAB O=C(NCc1ccccc1-c1ccsc1)c1ccccc1Br 96122938 RCPQRWJJFNLTLK-UHFFFAOYSA-N 372.287 5.108 0 40 FKAB CCCCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 111454118 BGSGLEHAUASFLQ-RGEXLXHISA-N 369.848 5.254 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2SC(C)C)cc1 219655825 NCMLEAPCNNKCCW-FQEVSTJZSA-N 371.546 5.713 0 40 FKAB O=C(CCc1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 220011852 QBXPFXNVPSFTJL-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223097597 VSUOZUHBYIWDNG-GOTSBHOMSA-N 365.517 5.299 0 40 FKAB Cc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1Cl 223129335 VIMBADHELXYODK-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccccc1C(C)C 224562243 PYRWPMFPVCEZOY-KRWDZBQOSA-N 369.505 5.316 0 40 FKAB CCCOCc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC 224705805 HNWRUKIFSXITAA-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB CC1(C)C[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2O1 224979988 TYCXKGJEGUHYQR-JOCHJYFZSA-N 371.480 5.315 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225524008 QGWKZKWXHUMCBF-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225801435 GPOIZWSCXGPZRD-KRWDZBQOSA-N 361.404 5.028 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c3ccccc23)CCCCCC1 225852978 QWOXCMFRRRACQH-UHFFFAOYSA-N 369.505 5.697 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 257373165 KYUZKRJIOGSDGT-LNADVXPDSA-N 372.549 5.022 0 40 FKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2)cc1 408678678 UPOLQQHYCUZUCF-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)c1 408996173 LGFJLFCOBBNSAP-PUHATCMVSA-N 355.437 5.164 0 40 FKAB Fc1cccc(Cc2ccc([C@H]3CCCN(CCc4ccccc4)C3)nc2)c1 585176608 QIQVTFGRBAROBW-QHCPKHFHSA-N 374.503 5.234 0 40 FKAB COc1ccc2c(Cl)c(C(=O)N3CCCc4ccccc43)sc2c1 675055 HJSPQHYTHQQVLM-UHFFFAOYSA-N 357.862 5.156 0 40 FKAB CCc1nc2ccccc2c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 863306 OENCYTKMYATDCJ-UHFFFAOYSA-N 359.256 5.665 0 40 FKAB O=C(COc1ccc(Cl)cc1C1CCCCC1)Nc1ccccc1F 1067936 IPVYZMDEFDSDBE-UHFFFAOYSA-N 361.844 5.544 0 40 FKAB Cc1ccccc1Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 1072877 NEKJHZGWSNLKGX-UHFFFAOYSA-N 362.860 5.625 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 1325298 IFMDZQHEIWLBBO-UHFFFAOYSA-N 354.283 5.578 0 40 FKAB Clc1cc(Cl)c(OCc2cc(-c3ccccc3)no2)cc1Cl 1398150 PMYODYKHPRIIEW-UHFFFAOYSA-N 354.620 5.881 0 40 FKAB O=C(NC1CCCCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2648577 UJGROZIDFWTEFV-UHFFFAOYSA-N 367.333 5.567 0 40 FKAB Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109846 LGDQFSPJJDPOEA-UHFFFAOYSA-N 362.395 5.256 0 40 FKAB Clc1ccc(C2=Nc3ccccc3C(c3ccc(Cl)cc3)=NN2)cc1 4129998 NCPJLBUNVRHLKC-UHFFFAOYSA-N 366.251 5.427 0 40 FKAB Cc1ccccc1Nc1ncnc2c1oc1ccc(Br)cc12 5149998 ISNRNEVWJXKUFK-UHFFFAOYSA-N 354.207 5.191 0 40 FKAB Cc1cc(Nc2ccccc2)nc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)n1 5587626 IKASSMQQNILGOK-FPDPHYFHSA-N 367.518 5.015 0 40 FKAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1cccc2ccccc12 7099095 FUANFWCJDXRYKN-UHFFFAOYSA-N 368.436 5.026 0 40 FKAB Cc1cccnc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 7777400 XYKUOEKNBAQDKJ-UHFFFAOYSA-N 368.889 5.588 0 40 FKAB COc1ccccc1-c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 8209367 ZZZKPFRBLYVSHS-UHFFFAOYSA-N 352.459 5.080 0 40 FKAB Cc1ccccc1OCc1nnc(SCc2cccc3ccccc23)o1 9198517 JFKSKPHSDULVDI-UHFFFAOYSA-N 362.454 5.403 0 40 FKAB CCOc1ccc([C@]2(C)CC(C)(C)N(C(C)=O)c3c(C)cccc32)cc1 9227207 BGXOWAQUXIEJIN-QHCPKHFHSA-N 351.490 5.235 0 40 FKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccccc4C)ccc3O)nc2c1 9547245 IXIYWJQEDNMPSY-UHFFFAOYSA-N 372.424 5.378 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 9660055 QOTYYTNXFJBBLT-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic Cc1cc(C)c2c(C)c(C(=O)Nc3nc4ccccc4s3)sc2n1 10815984 AXMGXSOFONXRSN-UHFFFAOYSA-N 353.472 5.084 0 40 FKAB O=C(Nc1nc2ccccc2s1)c1ccc(CSc2ccccc2)o1 11859870 OZESPWJJTSBYNV-UHFFFAOYSA-N 366.467 5.434 0 40 FKAB CC(C)(C)c1ccc(CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 12855974 PMMFAYZUELIAGO-LDADJPATSA-N 369.461 5.360 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 13709998 JZQIGWNHNNAHSL-HNNXBMFYSA-N 367.832 5.538 0 40 FKAB c1ccc(CNCc2c(OCc3ccccc3)ccc3ccccc23)cc1 16480090 WXZQUBYDSAQIMZ-UHFFFAOYSA-N 353.465 5.709 0 40 FKAB CC(C)C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 20107861 PEUVAJNYNVFTOR-QHCPKHFHSA-N 364.533 5.190 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411168 MSUZQKNFDUHDMR-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 30860903 SZSJSLIFWYCYEV-VWNXMTODSA-N 373.496 5.367 0 40 FKAB CC1(C)CC(N2CCC(Cc3ccccc3)CC2)=CC(=[N+]2CCCCC2)C1 58158307 MJNSAOLOMYUPLZ-UHFFFAOYSA-N 365.585 5.282 0 40 FKAB CN(Cc1ccc(F)cc1F)C(=O)c1sccc1-c1ccc(F)cc1 58358204 CEQAVIYOTZQRHJ-UHFFFAOYSA-N 361.388 5.105 0 40 FKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)cc(C)c1 59475447 DQWPLKLKXCVGLS-UHFFFAOYSA-N 351.368 5.363 0 40 FKAB CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477528 GVMULPCUYMAKAG-JQIJEIRASA-N 374.440 5.337 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C 72215037 LGEIMSXWYIZDLH-SFHVURJKSA-N 361.530 5.169 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC 72215259 OUQNPYQOOXIBHM-SJLPKXTDSA-N 361.530 5.169 0 40 FKAB c1coc(-c2oncc2CN2CCc3sccc3[C@H]2c2cccs2)c1 89797918 GAJLFUIMJNJDBF-SFHVURJKSA-N 368.483 5.205 0 40 FKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1 107041783 OWIHKEZYFBVCNY-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC 107648269 GPSNGAVPWMTVIW-UHFFFAOYSA-N 369.848 5.543 0 40 FKAB CC[C@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 219865452 TUXXAWDDSMJPHQ-QHCPKHFHSA-N 364.533 5.096 0 40 FKAB Cc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2)c(C)c1 223194855 RBSXUCBQNZPJPD-XMMPIXPASA-N 361.460 5.281 0 40 FKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COC(C)C 224425573 XDCSCLBRCGJEKI-UHFFFAOYSA-N 368.260 5.179 0 40 FKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 224572418 WLHAWQIZWKDRQY-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(OC2CCCC2)cc1 225515858 ICDPAHGGLPNBCO-QGZVFWFLSA-N 368.546 5.316 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225517738 XBCZVFZRIUDXAS-KRWDZBQOSA-N 369.480 5.762 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225523960 QRDMLKIXTGXXSC-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB FC(F)(F)c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225540816 CDAIVPCEVRCIKZ-UHFFFAOYSA-N 372.843 5.278 0 40 FKAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl 225616990 TZRVDIKYSAXKSO-UHFFFAOYSA-N 355.906 5.155 0 40 FKAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1 408996101 OCQZJBIZUFYHNE-FKBYEOEOSA-N 355.437 5.164 0 40 FKAB CC[C@H](C)n1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c2ccccc21 409014087 FAFXVZDNFYJTES-NRWOIDKPSA-N 356.491 5.447 0 40 FKAB CC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(C)cc1 1023033 JFBRSUFLLSAEPK-NUIDASMPSA-N 367.492 5.867 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccccn1 1463043 GTGXULMNFLWCFB-NRFANRHFSA-N 370.481 5.683 0 40 FKAB CS[C@]1(c2cccc3ccccc23)ON=C(c2ccc(Cl)cc2)S1 2053646 KUCIIZCGANKEKD-IBGZPJMESA-N 371.914 6.092 0 40 FKAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2116340 HIAJCGFYHIANNA-XYKAQZJUSA-N 374.565 5.427 0 40 FKAB Cc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)c1 2425415 DFUWYVKTPTUXEG-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB Cn1c(-c2ccccc2)c(-c2csc(NC3CCCC3)n2)c2ccccc21 2645421 ITTKXLXCNCTCGX-UHFFFAOYSA-N 373.525 6.323 0 40 FKAB CCOC(=O)c1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2ccc(O)cc12 4164574 VRSHIIPYMCLSGP-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB Clc1ccc(-c2nnc(/C=C/c3cccc4ccccc34)o2)c(Cl)c1 4657181 SMZZLEDFUSFVJM-DHZHZOJOSA-N 367.235 6.367 0 40 FKAB O=C(NC1CCCCC1)c1csc(Nc2cccc3ccccc23)n1 4675594 GJVXZGSEVNMGRW-UHFFFAOYSA-N 351.475 5.102 0 40 FKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)cc1 4969899 TVXWPDNNONOYLB-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB COCc1c(C(=O)Nc2cc(C(C)(C)C)ccc2OC)oc2ccccc12 5509525 LJOXNEUORREVKX-UHFFFAOYSA-N 367.445 5.138 0 40 FKAB FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1ccccc1 5774886 FZIPCACOFIJQFZ-UHFFFAOYSA-N 359.134 5.748 0 40 FKAB O=C(O)/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 6221039 WUFIZWIUFONFKW-GHXNOFRVSA-N 361.146 5.637 0 40 FKAB Fc1ccc(CSC(=S)Nc2ccc(Br)cc2)cc1 6512356 MBVNPNAOUXUKTJ-UHFFFAOYSA-N 356.285 5.218 0 40 FKAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 6629082 MGHFGHRQNLQKSO-UHFFFAOYSA-N 362.882 5.106 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1C 7504064 IFAZWCSNAJPXIG-OAQYLSRUSA-N 355.441 5.555 0 40 FKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cccc(Cl)c1 7724303 ZZQZBNZBFBOVKM-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 8111219 LKHIQJJHTHCKNS-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Br)cc1F 8479641 PBXROGHKIGOEAQ-UHFFFAOYSA-N 368.271 5.341 0 40 FKAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2Cl)cs1 8762037 KXDQPERRRLUSQA-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccccc2Cl)s1 8771271 COVCJDUFYFHRRC-UHFFFAOYSA-N 365.245 5.156 0 40 FKAB COc1ccccc1NC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 11009205 MQPBKICVAWZRMI-NRFANRHFSA-N 364.420 5.088 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccc(F)c(F)c3)ccc2c1 12739872 POYDNZWMLQDODI-UONOGXRCSA-N 369.411 5.108 0 40 FKAB Cc1cccc(Oc2ccccc2NC(=O)Cc2noc3ccccc23)c1 12872024 LIXGWQJKTNCKFK-UHFFFAOYSA-N 358.397 5.110 0 40 FKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 13785979 AJTJBLIFAGTZAF-AKWQBFHWSA-N 366.332 5.406 0 40 FKAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 14084325 SKPCPJJABXYFAQ-NSHDSACASA-N 360.280 5.088 0 40 FKAB CC[C@H](C)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 16740583 NSVWLRIIRZJVKT-IBGZPJMESA-N 354.497 6.189 0 40 FKAB N[C@@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 19897259 XYWOIRSXJAXQRI-LJQANCHMSA-N 373.776 5.648 0 40 FKAB O=C(/C=C/c1ccccc1Cl)NCCSCc1ccccc1Cl 20240050 KZPACPQDPPEAMM-MDZDMXLPSA-N 366.313 5.056 0 40 FKAB CCCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)c1 27584555 KNIBLZCLPKTSNI-UHFFFAOYSA-N 365.498 5.692 0 40 FKAB Cc1ccc(C)c(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)c1 33298152 GUTAGUVARHKHLY-UHFFFAOYSA-N 365.433 5.207 0 40 FKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccccc4)[C@H](O)[C@@]3(C)CC[C@@H]21 36614392 XBBFULYUUHIPON-SHZWRBOWSA-N 374.524 5.606 0 40 FKAB O=C(NCc1cccs1)c1scc(-c2ccccc2)c1-n1cccc1 38653829 GJKGHYMUWBVPRJ-UHFFFAOYSA-N 364.495 5.197 0 40 FKAB COc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[C@H](C)CC[C@@H]32)cc1Cl 58182450 TVAMQIPGDCFUOV-HSMVNMDESA-N 356.293 5.043 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 59472276 AHWVTOJPTGZKDP-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cccnc1Br 95411174 FZKCHKFZYRNGBE-UHFFFAOYSA-N 361.283 5.343 0 40 FKAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(c2cccs2)CC1 96120600 DBJXGRFIVALFGG-UHFFFAOYSA-N 367.436 5.106 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 216320618 XXAFKAVEIOLBAY-QGZVFWFLSA-N 368.329 5.523 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1cccc2ccccc12 222677762 ALIHXPIMRDQMOI-QFIPXVFZSA-N 373.496 5.499 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223133865 XKYUZIDEYAZQSQ-QFIPXVFZSA-N 365.517 5.083 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(C)cc2C)cc1C(C)C 223377238 AENLSOSOBJZYFV-GOSISDBHSA-N 353.506 5.164 0 40 FKAB O=C(NCC1=CCCCC1)c1ccc(OCCSc2ccccc2)cc1 224380001 CKCFOIVPARPOSN-UHFFFAOYSA-N 367.514 5.088 0 40 FKAB Fc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1Cl 225540566 BIAOPMIIURTDKY-UHFFFAOYSA-N 357.281 5.052 0 40 FKAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCCCC1 225830357 KVMUOOOFZBWWAY-UHFFFAOYSA-N 369.505 5.553 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCCC1 225851123 HEZFXXKNJXSWDK-UHFFFAOYSA-N 369.505 5.553 0 40 FKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1Cl 408602912 OXJNUSIZNLBMQX-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB Oc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409121746 WBBYQEHTGCUXSO-UHFFFAOYSA-N 360.240 6.103 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)c(C)c1 409122429 YKVRXGNLDDDLPZ-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB CCn1c(CNc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1 648843 FUGUVWGYNCIZLV-UHFFFAOYSA-N 372.925 5.164 0 40 FKAB C[C@H]1C[C@@H](Nc2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 855420 KBDDQGYSDPGCQE-HRAATJIYSA-N 360.432 5.418 0 40 FKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1C 855502 FOGZYAQBPXBHBN-UHFFFAOYSA-N 371.893 5.078 0 40 FKAB CCCCCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 2311382 VCNNDHPFXJHELE-XMHGGMMESA-N 369.848 5.254 0 40 FKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1ccc(F)cc1 2343822 HSUNVKHERVHVJC-IBGZPJMESA-N 370.401 5.708 0 40 FKAB Cc1sc2ncnc(Oc3ccc(Br)cc3F)c2c1C 3568179 ASODMAWELGAMMR-UHFFFAOYSA-N 353.216 5.002 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1[P@](=O)(Nc1ccccc1)c1ccccc1 4069879 CPRRSKIORQJWCQ-SKSFXJLCSA-N 355.462 6.163 0 40 FKAB CCOc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 5215626 XRRPJDZZSQAUNI-UHFFFAOYSA-N 358.397 5.193 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1ccccc1CCc1ccccc1 5603075 KSMZMZVSKQOXLO-UHFFFAOYSA-N 351.449 5.877 0 40 FKAB CCCCCCC1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc(Cl)cc1 5711685 KLBPIDLYDHSJTG-IFMALSPDSA-N 368.908 6.504 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 6123923 SOSCNLWRAKWEJI-GFCCVEGCSA-N 374.918 5.583 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 6569760 VTFLWSIQBRPOKK-UHFFFAOYSA-N 366.505 5.498 0 40 FKAB CC(=O)Nc1ccc(Sc2ncnc3sc4c(c23)CCCCC4)cc1 6602551 PVEAHXZENZPZNE-UHFFFAOYSA-N 369.515 5.070 0 40 FKAB CN(C(=O)c1ccc(C(C)(C)C)cc1)C(c1ccccc1)c1ccccc1 6615537 GRTYNCJDHCGUDA-UHFFFAOYSA-N 357.497 5.846 0 40 FKAB Cc1ccc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1C 6865908 QYIKLBCVKXPUIX-UHFFFAOYSA-N 374.815 5.101 0 40 FKAB CCCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7261337 WEPFUQZIPFZGAO-UHFFFAOYSA-N 352.305 5.852 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccccc1C(F)(F)F 7801620 PMHLQHWBAGELCD-UHFFFAOYSA-N 355.787 5.736 0 40 FKAB Cc1sc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)c(C#N)c1C 8334765 USYAUDCUAYMXEV-VCHYOVAHSA-N 373.481 5.137 0 40 FKAB CCc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 8714178 QIYFNRWACZXBFD-UHFFFAOYSA-N 363.844 5.386 0 40 FKAB C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 9514640 PNEIBBUVZTWOCQ-OAHLLOKOSA-N 368.864 5.503 0 40 FKAB Cc1ccc(C)c(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1 10700659 PETXMAJFXDZWBW-UHFFFAOYSA-N 367.499 5.012 0 40 FKAB Cc1cc(-c2cc(F)c(Cl)cc2Cl)nc2cc3c(cc12)OCO3 12547117 COXBKIJHLWIWLX-UHFFFAOYSA-N 350.176 5.385 0 40 FKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(-c3ccccc3)cc1)NCC2 20506932 ZECGBUYROKQBIO-RUZDIDTESA-N 373.496 5.386 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1c1cccs1 22131806 LJRYBGBYNUHXEP-OAHLLOKOSA-N 354.500 5.157 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(C)c(Cl)c1 23744942 BJUKNJOYGJPBHY-UHFFFAOYSA-N 355.290 5.428 0 40 FKAB CC1(C)C[C@H]([C@@H](CCNCc2ccccn2)c2ccccc2Cl)CCO1 27666682 SIGNMPDIEJTHOU-IEBWSBKVSA-N 372.940 5.204 0 40 FKAB CN(C(=O)c1ccc(CN2CCCc3ccccc32)cc1)C1CCCCC1 30758525 KHNZENMQHMMWOM-UHFFFAOYSA-N 362.517 5.044 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 44848008 QJRSSXMJIYECOJ-UWJYYQICSA-N 371.546 5.388 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 44884313 NGVAMQHULZDRMN-YJZSVRAESA-N 371.480 5.503 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1 67322085 XNWABDJXJIXHPO-UHFFFAOYSA-N 360.280 5.328 0 40 FKAB Clc1ccc(C2=C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 102946982 KSUIICURLSOGLF-NRFANRHFSA-N 357.844 5.746 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 216303943 YUXBORAYPIMNNZ-UHFFFAOYSA-N 372.635 5.076 0 40 FKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COCC(C)C 224448759 WKZNSRUJIDZFAF-UHFFFAOYSA-N 361.869 5.082 0 40 FKAB S=C(NCCSCc1cccc(Cl)c1)Nc1ccc(Cl)cc1 225298433 CEOWCYHRQHNHQF-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1Cl 225934874 GLJYOYAPSNZQAD-UHFFFAOYSA-N 365.860 5.293 0 40 FKAB CCc1ccc2oc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nc2c1 226287220 KGUSOKUXRPAMBB-UHFFFAOYSA-N 354.409 5.218 0 40 FKAB O=C(NCc1ccc(Cl)cc1Cl)c1cc2c(ccc3ccccc32)o1 408622296 VPBPHYNKSGEGEL-UHFFFAOYSA-N 370.235 5.823 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)c1 408623909 VBTXRZAEIWRQQB-DHZHZOJOSA-N 368.436 5.764 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 679098 OKSXLICBYNUOTD-UTKZUKDTSA-N 358.485 5.519 0 40 FKAB CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Cl)cc1 683104 MOHXEJCMECIDOH-UHFFFAOYSA-N 351.899 5.388 0 40 FKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1F 849426 SEUPQKDYLXTVOO-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB COc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12 868195 YNIRXOGPTRXJPF-UHFFFAOYSA-N 355.393 5.130 0 40 FKAB in-vitro O=C(Nc1cccc(Cl)c1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 1436657 RRSLLQLMRWNJBR-CAPBHKODSA-N 358.696 5.135 0 40 FKAB Cc1c([C@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1C 2110978 MYYWIDVMDOBZME-SIKLNZKXSA-N 360.501 5.046 0 40 FKAB biogenic CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1 2260756 KQWBDMFTIOJEDF-UHFFFAOYSA-N 370.880 5.973 0 40 FKAB O=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 2777413 ANMHYVYRKLLFRZ-UHFFFAOYSA-N 360.034 5.147 0 40 FKAB O=C(N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl)Oc1ccccc1 3013831 GQEHNSNGTVUVMC-ZDUSSCGKSA-N 362.615 5.026 0 40 FKAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 3140314 RJZMEZAJSBYFOK-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 4200613 YUIVCPAXAONWDR-UHFFFAOYSA-N 370.474 5.126 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1cccs1 4702683 OILFBCVQKHQWMT-OAQYLSRUSA-N 358.466 5.283 0 40 FKAB CC1=CC(C)(C)Nc2ccc(Cc3ccc4c(c3)C(C)=CC(C)(C)N4)cc21 4773602 ADHZMOYUJKFKSE-UHFFFAOYSA-N 358.529 6.492 0 40 FKAB biogenic CCOc1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccccc2Cl)C1 5047194 IMIKTCOQLMCNMC-HNNXBMFYSA-N 369.679 5.484 0 40 FKAB biogenic CCCCC/C=C/C/C=C/CCCCCCCC1=N[C@@](CC)(CO)CO1 5523690 XAJXPLMBNBLPIW-SKJKSMBYSA-N 363.586 6.370 0 40 FKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1-c1nc2ccccc2s1 6078923 OUBRDABNQVNKHU-UHFFFAOYSA-N 360.269 5.764 0 40 FKAB CCCCc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 6398111 OVZORSUMIBKVSO-UHFFFAOYSA-N 358.894 5.474 0 40 FKAB O=C(Nc1ccccc1OC(F)F)C1c2ccccc2Oc2ccccc21 6786738 IZVACFAEIROCJL-UHFFFAOYSA-N 367.351 5.164 0 40 FKAB CCOc1ccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)cc1 7989765 ZCCSAKVWZYJNDW-UHFFFAOYSA-N 366.486 5.550 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1-c1ccccc1 11618725 DDGKOKNULXAFIM-UHFFFAOYSA-N 366.848 5.066 0 40 FKAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1 13785577 ZFJOWAPNGGBRJA-XDOYNYLZSA-N 350.418 5.229 0 40 FKAB Cc1c(C(=O)Nc2c(Cl)cccc2Cl)oc2c1[C@H](O)CC(C)(C)C2 16740265 SDPQNVZXKROATD-GFCCVEGCSA-N 368.260 5.153 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cc(C)ccc3C)n2)cc1 17075318 DJHYZYUGERWAFM-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB Cc1cc(NC(=O)c2cccc3ccccc23)ccc1-c1ccc(CO)o1 20138941 HSSUSBVWVOETTC-UHFFFAOYSA-N 357.409 5.153 0 40 FKAB Cc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)sc1C 32900631 XBZXMOOFDUEVHT-UHFFFAOYSA-N 365.458 5.261 0 40 FKAB Cc1ccccc1C(=O)O[C@H](C)CN(Cc1ccccc1)Cc1ccccc1 57222617 YIFAYJNANLGLDI-OAQYLSRUSA-N 373.496 5.243 0 40 FKAB Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H](C)c1ccc(Cl)cc1 61014986 GWHUYIDKQZKGBD-CQSZACIVSA-N 374.315 5.397 0 40 FKAB Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)nc1-c1ccc(F)cc1 95347419 FDLUOZRWQKTZII-HOTGVXAUSA-N 370.424 5.139 0 40 FKAB C[C@]12CC[C@@H](C3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118935621 PJCQKJZWYFPASB-HOJFQYKESA-N 358.610 6.587 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cccc1C(C)C 222921885 KWRSMAUJLSUGPL-NRFANRHFSA-N 367.533 6.212 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 223442344 MGHOKLAOWJZLNQ-QZTJIDSGSA-N 373.924 5.527 0 40 FKAB CCCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)(C)C)c1 224506701 HVUOIOQPSGDUHX-UHFFFAOYSA-N 369.505 5.102 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1Cl 225721906 DITNRLANKUNXJB-UHFFFAOYSA-N 353.890 5.053 0 40 FKAB COc1ccccc1NC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225765274 XMZKZKRNKBNFIO-SFHVURJKSA-N 366.461 5.043 0 40 FKAB Oc1nc(-c2ccc(Cl)cc2Cl)nc2sc3c(c12)CCCCC3 408986421 CFYBFVQQKPPSNV-UHFFFAOYSA-N 365.285 5.640 0 40 FKAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409209531 GFXIFENLHZFGIE-GZTJUZNOSA-N 371.889 5.878 0 40 FKAB CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3S[C@H]2c2ccc(Cl)cc2)C1 409336861 WXRXIYDGTKJONV-PMACEKPBSA-N 369.917 6.265 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)c(C)c2)cc1 409383927 PMJJAYGKFLBYQK-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 1772492496 ZBPQBCXWLUSWGS-BDDZGLPXSA-N 360.538 5.310 0 40 FKAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1cccc2ccccc12 956541 LLSONYXXJQKYIQ-UHFFFAOYSA-N 360.388 5.447 0 40 FKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1C1CCCCC1 990309 RQGIBQRUNZTIAZ-UHFFFAOYSA-N 367.059 5.229 0 40 FKAB CC(C)(OC(=O)Nc1ccccc1)C(C)(C)OC(=O)Nc1ccccc1 1893154 ACQLRMHMBHVPFQ-UHFFFAOYSA-N 356.422 5.041 0 40 FKAB O=C(NC1c2ccccc2-c2ccccc21)[C@@H](c1ccccc1)C1CCCC1 2353650 SQKMEGJOMVTRDE-DEOSSOPVSA-N 367.492 5.847 0 40 FKAB CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2715144 MXBFCXXEDKWVLL-UHFFFAOYSA-N 362.864 5.563 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(C(C)C)C(C)C)c3ccccc3n2)s1 2742654 XMJHHWLXOFGFAH-UHFFFAOYSA-N 352.503 5.531 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3C)ccc21 3200053 SGIVCWUQCUJYQM-UHFFFAOYSA-N 358.441 5.140 0 40 FKAB COc1ccc2oc(C(=O)Nc3ccccc3Cc3ccccc3)c(C)c2c1 3421028 RPAXDYOIFXILSC-UHFFFAOYSA-N 371.436 5.593 0 40 FKAB O=c1c2ccccc2nc(SC/C=C/c2ccccc2)n1-c1ccccc1 3667425 UJHTUDDRWUDIAE-FMIVXFBMSA-N 370.477 5.191 0 40 FKAB Cc1cccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c1 4428839 FRRWTQOHBLUKNB-UHFFFAOYSA-N 366.529 7.079 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)c(Cl)c2)on1 4881187 CGGYEBLREAFVBA-UHFFFAOYSA-N 369.154 5.179 0 40 FKAB Cc1ccccc1CSc1nccc(-c2cc(Cl)sc2Cl)n1 5620264 QURQSNHRKXEZSR-UHFFFAOYSA-N 367.326 6.113 0 40 FKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1 6478678 OJFLDQFNMBOOQD-UNOMPAQXSA-N 367.470 5.019 0 40 FKAB O=C(N[C@H](c1ccccc1)c1ccco1)C(c1ccccc1)c1ccccc1 7808749 OGPHLWNITVWISQ-XMMPIXPASA-N 367.448 5.317 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1OCc1ncc(-c2ccccc2)o1 7896158 CUVCBIJFBJFDDS-UHFFFAOYSA-N 370.408 5.173 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 8040672 QRBYBXPRXSQSNR-IBGZPJMESA-N 365.404 5.414 0 40 FKAB Cc1nn2c(-c3ccncc3)cc(-c3ccccc3)nc2c1-c1ccccc1 9939238 BKEMFWSONUAZCW-UHFFFAOYSA-N 362.436 5.434 0 40 FKAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccccc3Cl)cc2)CC1 12550804 MLFHIATYQUKEAE-MRXNPFEDSA-N 371.912 5.015 0 40 FKAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)oc12 13668898 LLOPDAFELWUDNB-AWEZNQCLSA-N 351.446 5.230 0 40 FKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCCCC1 24261303 OSPUQIDJCVWORB-UHFFFAOYSA-N 368.424 5.154 0 40 FKAB CCCc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)sc1C 25616001 QWQZVGZSJFRQPJ-KRWDZBQOSA-N 373.518 5.004 0 40 FKAB Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)cc1 30851620 DYAXJMVXXSKISA-LJJIPZOBSA-N 361.872 5.567 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1OCc1ccncc1 32034672 RMUBPTUFUWKUAY-UHFFFAOYSA-N 373.239 5.220 0 40 FKAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2nc(N3CCCCC3)sc21 36358905 LESHQHZPKZWBQS-HNNXBMFYSA-N 371.506 5.044 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478272 PAXBGFHLRHNQSK-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)c1 59351415 WZQVNTSPIRDBOA-HXUWFJFHSA-N 357.497 5.703 0 40 FKAB Clc1ccc(-c2nnc(C(c3ccccc3)c3ccccc3)s2)cc1 67321162 ZJGIHBRAKBVYQU-UHFFFAOYSA-N 362.885 6.039 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c1 71760518 VRRXGOSQHRJFBJ-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CCCCC/C=C/C/C=C\CCCCCCCC(=O)NC1CCCCC1 101988380 OFSPDNIHQQKLPZ-KQHSAVHASA-N 361.614 7.249 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)c(C)c1 219303242 ACOKBMBLMPFDLF-CTNGQTDRSA-N 353.506 5.264 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1C 222914116 SSIGKSSAOINCIC-LJQANCHMSA-N 359.897 5.742 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223197050 NDXIONAHKHSQSH-IAGOWNOFSA-N 365.517 5.118 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225844329 HHQWIKOHUSMGDJ-QHCPKHFHSA-N 371.521 5.799 0 40 FKAB O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1ccc(Cl)cc1 408553585 AUUFGSPQRFMIJP-HNNXBMFYSA-N 358.677 5.425 0 40 FKAB CCCCOc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 408587145 RBIVYMUBWPYCPF-UHFFFAOYSA-N 361.441 5.910 0 40 FKAB CCCc1sc(Nc2ccc(OCC)cc2)nc1-c1ccc(OC)cc1 408757157 VBENFHFPDWAECW-UHFFFAOYSA-N 368.502 5.914 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cc(Cl)ccc3Cl)sc2C)c(C)c1 409053917 DPCRTPQDMAINBE-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB CC[C@@H](C(=O)c1ccc(COc2cc(F)ccc2F)cc1)c1ccccc1 575358167 LZZDXJILZRXCLC-HXUWFJFHSA-N 366.407 5.920 0 40 FKAB CC(=O)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl 575442835 FSNVFTRRDILESU-UHFFFAOYSA-N 361.232 5.337 0 40 FKAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl 753321 LOPCFCOAJJIINU-UHFFFAOYSA-N 371.072 5.101 0 40 FKAB Cc1noc(C)c1CSc1ncnc2scc(-c3ccc(F)cc3)c12 1096567 WTYZQOJAYRGXEO-UHFFFAOYSA-N 371.462 5.395 0 40 FKAB CCC[C@@H](C)N(CCCNc1cc(OC)cc2cccnc12)CC(C)C 1644118 JIXMWYDHDHDAHY-GOSISDBHSA-N 357.542 5.192 0 40 FKAB Cc1cc(C)cc(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn23)c1 2182929 LTBNOMIFYYXIKJ-UHFFFAOYSA-N 374.391 5.155 0 40 FKAB Cc1ccc(-c2nc(N)c3c(-c4ccc(C)cc4)nn(C(C)(C)C)c3n2)cc1 2381115 VVXIRNXIBSOVMA-UHFFFAOYSA-N 371.488 5.114 0 40 FKAB aggregator Clc1ccc(-c2nc(Cl)c3cc(Br)ccc3n2)cc1 2527432 KJAXGYCCFUODKZ-UHFFFAOYSA-N 354.034 5.366 0 40 FKAB CCOc1ccc2c(-c3ccccc3)c(-c3ccc(O)cc3)c(=O)oc2c1 2573923 SSZKULMJZXTFPJ-UHFFFAOYSA-N 358.393 5.231 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1 3112741 CRPYRSSRLKBUBS-UHFFFAOYSA-N 367.448 5.980 0 40 FKAB O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCCC1 4537933 PCXUKFJMKJCKEX-AONIPZHHSA-N 372.512 5.219 0 40 FKAB CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 5167144 YIPYJRPRHUJJDP-WKOLOUIMSA-N 356.506 5.211 0 40 FKAB COc1cccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5459255 GFLWJKMKPHVBHQ-IFMALSPDSA-N 373.431 5.330 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 5900479 DNYJSERCDUZMSM-UHFFFAOYSA-N 352.821 5.563 0 40 FKAB C[C@H](NC(=O)CCCSc1ccccc1)C12CC3CC(CC(C3)C1)C2 6052344 DVRXSPGNKALVPG-RMJOCGACSA-N 357.563 5.280 0 40 FKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccccc1 6229954 BBKUFXWZVSCBGT-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CCCCC1=N[C@@H]2Sc3c(ncnc3N(C)CCCC)[C@H]2C2=C1CCC2 6309852 QVLYVYZUDQHCAQ-DYESRHJHSA-N 370.566 5.354 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(C)c2)cc1 6721412 IXTQWBBQOBHRDH-ISKFKSNPSA-N 354.453 5.546 0 40 FKAB COc1cc(CNC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 6882540 GKYNYSXZWKGZJM-UHFFFAOYSA-N 368.304 5.469 0 40 FKAB O=C1c2cccc3cccc(c23)C(=O)N1C1CCCCCCCCCCC1 6884220 URCOFXRYYQGTOZ-UHFFFAOYSA-N 363.501 6.109 0 40 FKAB O=C(Nc1nc2ccccc2o1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 7007276 OMHODOQALQPQBR-UHFFFAOYSA-N 374.240 5.118 0 40 FKAB CCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 7261076 IDSQVCRVYSSCGM-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8227183 KNVPBAIZLSEYPG-UHFFFAOYSA-N 374.695 5.344 0 40 FKAB Cc1ccc(N(C(=O)c2c(F)cccc2Cl)C(=O)N2CCCCC2)cc1 10254519 XYYVCIWVZPGTOY-UHFFFAOYSA-N 374.843 5.040 0 40 FKAB Cc1ccccc1-n1c(S[C@@H](C)c2ccccc2)nc2ccccc2c1=O 12620224 NFESQLHGUBTFJG-KRWDZBQOSA-N 372.493 5.547 0 40 FKAB S=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1 13841474 BARDWASRUYAKJL-UHFFFAOYSA-N 373.308 6.469 0 40 FKAB CCc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 14266970 CCUHTMDYXCGYHP-UHFFFAOYSA-N 354.837 5.129 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14399143 KFDVFCBWZNQTDF-LBPRGKRZSA-N 366.288 5.697 0 40 FKAB Cc1ccc(OCCCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 19933419 NUWFGMMXFWYKFW-VWLOTQADSA-N 373.496 5.368 0 40 FKAB Cc1ccc(-c2nnc(SCc3c(F)c(F)c(F)c(F)c3F)o2)cc1 21330514 FAJWSUZWEOLZBT-UHFFFAOYSA-N 372.318 5.033 0 40 FKAB O=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 35657463 XZEOICMHJLKCHA-UHFFFAOYSA-N 360.034 5.147 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 44947518 QFGABLMNRQOLLT-OAHLLOKOSA-N 373.518 5.166 0 40 FKAB CCCCN1C(=O)CC[C@@H](Sc2ccc(C)cc2)[C@@H]1c1ccccc1 65090597 BJNJORPGGUCFBV-IRLDBZIGSA-N 353.531 5.620 0 40 FKAB Clc1cc(Br)cc(Cl)c1OC(Cl)(Cl)Cl 95215455 DNAHIMDJVSVKLI-UHFFFAOYSA-N 359.261 5.462 0 40 FKAB CCOc1ccccc1C(=O)N(CC)CC12CC3C[C@@H](CC[C@H](C3)C1)C2 101024354 FFMGTJAVZVQBMO-XMFZZSFMSA-N 355.522 5.154 0 40 FKAB Cc1nc(SC[C@H](O)c2ccccc2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107570548 QORSQJAPLHWXKH-XYYCENQHSA-N 370.562 5.323 0 40 FKAB CCCCOB(OCCCC)Oc1c(C(C)(C)C)cccc1C(C)(C)C 195757554 KRLAUZFLYKEWMF-UHFFFAOYSA-N 362.363 6.279 0 40 FKAB O=C(Nc1c(F)cccc1F)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206881489 WRPQHCRHTCOXMY-CQSZACIVSA-N 364.823 5.420 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(Cl)c1C 223011456 CDNWCHXNBCSZSZ-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB Cc1ccccc1Nc1ccc(NC(=S)NC2CCCCCC2)cn1 224042817 RZUUFNMRHTXCDP-UHFFFAOYSA-N 354.523 5.143 0 40 FKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1C 224369997 CBOKAQWXCXDFBY-UHFFFAOYSA-N 367.489 5.035 0 40 FKAB CCOc1ccc(C(=O)NC(C)(C)C)cc1CSc1ccc(C)cc1 224659347 LYXOJIZIGGCZAI-UHFFFAOYSA-N 357.519 5.214 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COCC(C)C 224735711 OFOQBVPGYWDTEP-UHFFFAOYSA-N 355.478 5.127 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225841841 JBUBZMKJJREYGT-KRWDZBQOSA-N 361.404 5.028 0 40 FKAB O=C(Nc1ccc(F)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408964501 SFIAITGPHSAYMU-UHFFFAOYSA-N 374.651 6.253 0 40 FKAB CCOc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1 409121725 VWFJOQYRQBEIHE-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CC[C@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 575362638 PHTNQZJYPPHCKJ-ZDUSSCGKSA-N 371.196 5.844 0 40 FKAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc(Cl)c(Cl)c1 1889084189 XESCIZFYPVKDEW-CYBMUJFWSA-N 366.269 5.210 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 682538 WSGLRDZDSXGVSJ-SFHVURJKSA-N 357.453 5.277 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 1069210 FLZJNPXQZUWFKV-UHFFFAOYSA-N 367.880 5.071 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1940110 RSSHXOFZGVGVFT-BJMVGYQFSA-N 367.798 6.134 0 40 FKAB Cc1ccc([C@@H](Sc2ccccc2)[C@H]2CCc3ccccc3C2=O)cc1 2106395 IQVOSGQJDGXWQF-LADGPHEKSA-N 358.506 6.274 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 2737617 FJMFONANYZJUKU-KBPBESRZSA-N 365.539 5.205 0 40 FKAB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(Br)cc1 2750170 RUPCKQLILHIUFK-UHFFFAOYSA-N 359.263 5.716 0 40 FKAB FC(F)(F)c1cccc(NC(=S)N2CCCC[C@H]2c2cccnc2)c1 3893373 JCXCAEYEWBFNTP-INIZCTEOSA-N 365.424 5.024 0 40 FKAB biogenic C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(Cl)[nH]c4ccccc24)N3)C1 4571692 RQLYAEVVVRSYEF-XYZCENFISA-N 371.893 5.437 0 40 FKAB O=C(c1cccc2c1oc1ccccc12)c1cccc2c1oc1ccccc12 4610836 JELCQXUSROIZBL-UHFFFAOYSA-N 362.384 6.716 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 5230400 JKMWTLBCBAHXAC-DYUHVGSYSA-N 374.653 7.079 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 5614119 BOQVUYOGKUOYLM-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB CCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 5808015 YRIYVRCQPPHERX-UHFFFAOYSA-N 374.513 5.607 0 40 FKAB CC(=O)Nc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 6203353 ASOMMPIJBVRRHT-UHFFFAOYSA-N 364.445 5.004 0 40 FKAB COc1ccc(C)cc1NC(=O)CSCc1ccc(Cl)cc1Cl 7094302 DOQYQHIDBCPVBC-UHFFFAOYSA-N 370.301 5.182 0 40 FKAB Cc1nc(SCc2cc(C)on2)c2cc(-c3ccccc3)sc2n1 7829432 QGAXGIBWMMWUQL-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cc2ccccc2o1 8325210 CRCDCSQZDWKTPB-IBGZPJMESA-N 351.402 5.153 0 40 FKAB COc1ccc(-c2coc3cc(Nc4ccc(C)cc4)cc(C)c3c2=O)cc1 11865155 IQDQWXZYJGXUMK-UHFFFAOYSA-N 371.436 5.829 0 40 FKAB biogenic Cc1ccc(CNc2ncccc2-c2nc(-c3cccc(C)c3)no2)cc1 15669974 TVEKEKUKUYUUPH-UHFFFAOYSA-N 356.429 5.028 0 40 FKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc2ccccc2c1 20139102 VVKIIDWBVXPEAI-UHFFFAOYSA-N 360.196 5.097 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30751901 FVEXLUARTLEFAG-HNAYVOBHSA-N 373.924 5.672 0 40 FKAB COc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)cc1 44086032 MCLGEFBRQAQONW-UHFFFAOYSA-N 372.493 5.840 0 40 FKAB Clc1ccc(CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 45951661 XGXGPKQMYZROML-UHFFFAOYSA-N 350.874 6.229 0 40 FKAB Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(F)cc2)cc1 107039378 XYZJBIHDKHKRAK-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=O)C1(c3ccccc3)CCCC1)CC(C)(C)O2 222925455 MGZLKXLFWOZQPU-FQEVSTJZSA-N 363.501 5.225 0 40 FKAB Cc1ccc(CNC(=S)Nc2ccc(Sc3ccccc3)nc2)cc1 223944697 LKPRRTNQNOQCAH-UHFFFAOYSA-N 365.527 5.028 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 224275556 USUIASBIVZJSGI-QGZVFWFLSA-N 373.924 5.865 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccco1)c1ccccc1 224855687 GCJOTWWJFWNJEU-QGOAFFKASA-N 373.330 5.358 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cccc(F)c2)c2ccccc2)cc1 225509765 GJMZZCCQDQNLFI-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225801238 BYODNHRMXRZCSZ-OPAMFIHVSA-N 357.494 5.551 0 40 FKAB C[C@H]1[C@H](C)CCC[C@H]1N1CN(Cc2ccccc2)c2nc3ccccc3n2C1 251656712 FVTHMBPMOXVALS-XQBPLPMBSA-N 374.532 5.098 0 40 FKAB CCOc1ccccc1-c1ccc(C(=O)O)c(Cc2ccc(Cl)cc2)n1 257333688 YCPYZNUFHGBSGT-UHFFFAOYSA-N 367.832 5.090 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 409112469 GKFKPTYYLHIBJT-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(COc2ccc(CNc3cccc(Cl)c3C)cc2)cc1 409112905 DOJUFEBJQNPJBB-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 409119400 SIGPUCCGHQHHJM-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C(NCc1ccc(-c2ccsc2)o1)Nc1ccccc1C(F)(F)F 575611893 ZXLZUTTYALFCMA-UHFFFAOYSA-N 366.364 5.349 0 40 FKAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(CCC2CCCCC2)n1 585265125 HDHSXRVGHDGNRW-UHFFFAOYSA-N 367.489 5.747 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=C(/C)[O])[C@@]4(C)CC[C@@H]32)C1 1560410900 WCHRAUFQUBRWDJ-RFOVXIPZSA-N 357.514 5.585 0 40 FKAB O=C(CSc1ccc(Cl)cc1)n1c2c(c3ccccc31)CCCC2 1092228 JUAXAFLYELTOOH-UHFFFAOYSA-N 355.890 5.606 0 40 FKAB Cc1ccc2nc(Cl)c(CN(C(=O)C3CCC3)C3CCCC3)cc2c1 1367640 XMFLVNXYMPQSCT-UHFFFAOYSA-N 356.897 5.268 0 40 FKAB COC(=O)[C@H](c1ccccc1)[C@@H](SCc1ccccc1)c1ccccc1 1734652 CNLXKOBPBLLNJC-YADHBBJMSA-N 362.494 5.618 0 40 FKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1ccco1 2279113 QRCMKCXYUBFQCK-FPPAHVCDSA-N 371.480 5.219 0 40 FKAB CSc1ccc(CCC(=O)c2ccc(Br)c(F)c2)cc1 2516668 UTXRQZUZRTYKAR-UHFFFAOYSA-N 353.256 5.126 0 40 FKAB CSc1ncccc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 3393146 ZZIHMXLSUBQNRJ-UHFFFAOYSA-N 350.443 5.157 0 40 FKAB CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 3912413 HCIZZMXXGHQZIM-UHFFFAOYSA-N 370.500 5.632 0 40 FKAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)c1ccc(Cl)cc1 4126668 RCRWVRMYWJDEOZ-UHFFFAOYSA-N 355.890 5.788 0 40 FKAB Clc1ccc(-c2nc3cc(NCc4ccccc4)ccc3o2)c(Cl)c1 5395072 MTGPHFCUILEAAR-UHFFFAOYSA-N 369.251 6.414 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 5724951 HAIGLVWGFWSYBM-UHFFFAOYSA-N 363.929 5.521 0 40 FKAB Cc1cccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 6215409 VWVOKCUWBUTLLA-UHFFFAOYSA-N 363.482 5.659 0 40 FKAB C[C@@H]1CCCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 6602248 WVRAAQMODPRRCX-OAHLLOKOSA-N 374.937 5.162 0 40 FKAB Cc1ccccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 7609683 XWJHOCUDDHYSJQ-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB COc1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699528 BCSMIRIEZHDDBK-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)on2)cc1 8915192 PUPCTGJFRMDBKW-CQSZACIVSA-N 370.836 5.018 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@H]1c1cccs1 9513657 XCXXYGFGLHFPKO-SFHVURJKSA-N 351.471 5.304 0 40 FKAB COc1ccc(-c2c/c(=N\c3cccc(OC)c3)c3cc(O)ccc3o2)cc1 12370966 RZSVCRJDCUYXPO-DARPEHSRSA-N 373.408 5.055 0 40 FKAB biogenic Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1cccc(Cl)c1 12885591 PUDOJKTUXFVXFM-SNVBAGLBSA-N 362.907 5.324 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1OCc1ccccc1 14035466 XPNOOZSUPHQJMX-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1cc(C)cc(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19933151 PQNGFSHMGUTYOO-UHFFFAOYSA-N 356.516 5.368 0 40 FKAB c1cnc2cc([C@@H]3O[C@H]4CCCC[C@H]4c4cc5c(cc43)OCO5)ccc2c1 20436646 WQWAUEKHCKFPIR-GRWTVWFQSA-N 359.425 5.109 0 40 FKAB CC1(C)CCCN(C(=O)c2ccc(OCCSc3ccccc3)cc2)C1 20490904 REQJBWAEBMRWQP-UHFFFAOYSA-N 369.530 5.120 0 40 FKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4C)cc3)n2)cc1 32623045 LJZJHRDZQZWSIJ-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 33405770 YYGWUTKIQZMHCY-QNGOZBTKSA-N 363.420 5.032 0 40 FKAB Clc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 38651601 HLEDBSXFGYOVSS-UHFFFAOYSA-N 351.862 5.342 0 40 FKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)cccc1C(C)C 40098047 SQPZUNVKPCVQIE-UHFFFAOYSA-N 350.915 5.887 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(F)(F)F 40945158 JVUFMAMDYYDLHK-ZDUSSCGKSA-N 365.395 5.409 0 40 FKAB Cc1c(-c2nc3cc(-c4ccccc4)ccc3o2)cccc1-n1cnnc1 45920673 XBTMEPRGPGAIRM-UHFFFAOYSA-N 352.397 5.051 0 40 FKAB CCn1c([C@H](C)N[C@@H](C)c2ccc(Br)cc2)nc2ccccc21 97212890 DJLQIYSJXJBUJP-KBPBESRZSA-N 372.310 5.231 0 40 FKAB COc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2F)cc1Br 97393786 OAHQBBSTRVPNLM-GHMZBOCLSA-N 370.237 5.148 0 40 FKAB Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 224139394 CYBMFRFUGMUXBO-HXUWFJFHSA-N 353.824 5.307 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1 225866317 OXENGIYCRLSXPE-UHFFFAOYSA-N 366.505 5.410 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 408703067 MLBOAAJEHVXBSE-UHFFFAOYSA-N 357.759 5.157 0 40 FKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc1 408788338 CGWUXAXZXJPQCR-LUDQZLGDSA-N 366.530 5.146 0 40 FKAB O=C(NCC1CC(F)(F)C1)c1ccccc1-c1ccc(C(F)(F)F)cc1 557338933 CJNPXPSEKJQSCH-UHFFFAOYSA-N 369.333 5.148 0 40 FKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)c(C)c1 658091 RTNIXGNPPQRFKM-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB C=CC(=O)N1c2ccc(OCC)cc2-c2c(ssc2=S)C1(C)C 822813 VFFFEVLCNAZUED-UHFFFAOYSA-N 363.529 5.372 0 40 FKAB O=C(COc1ccccc1Cl)O[C@@H]1CCCC[C@H]1C1CCCCC1 1596188 RQKPSQNXTXVOEX-FUHWJXTLSA-N 350.886 5.401 0 40 FKAB CCO[C@]1(c2ccccc2)c2cccc3cccc(c23)[C@@]1(O)c1ccccc1 1654142 RRJHOZWINJAEKQ-IZZNHLLZSA-N 366.460 5.369 0 40 FKAB Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(Br)cc1 1665704 NHGIZQKGWGEYJI-UHFFFAOYSA-N 363.255 5.231 0 40 FKAB CC(C)Oc1ccc(-c2nc(Nc3ccccc3F)c3ccccc3n2)cc1 2255234 PRZYXVNJHPZHRD-UHFFFAOYSA-N 373.431 5.967 0 40 FKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 2260524 SXXGAGADOAAORZ-RUZDIDTESA-N 370.496 6.213 0 40 FKAB Cc1cccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 3183430 SGVZFSFREIMYMC-UHFFFAOYSA-N 373.562 6.166 0 40 FKAB CCCN(CCC)C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 3213643 CROBRUMAHNVFCE-HMMYKYKNSA-N 359.872 5.668 0 40 FKAB Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccccc2)cc1 4452628 FHTHXFYMRAJHFY-JOCHJYFZSA-N 366.913 6.755 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2ncccn12 4734291 UGLWBEBOVZETKD-UHFFFAOYSA-N 374.513 5.733 0 40 FKAB Cc1cc(C)c2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc2c1 5165451 IFORKADRSYFXKJ-UHFFFAOYSA-N 374.465 5.958 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)pc(-c3ccccc3)c2)cc1 5360775 ZNOIOLZUPOGJGK-UHFFFAOYSA-N 354.389 7.276 0 40 FKAB FC(F)(F)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 6410361 RIUYQTPNHDNUOS-KPKJPENVSA-N 355.384 6.639 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc2c(s1)CCCCC2 6507948 TUMCMJGTBPTUEU-UHFFFAOYSA-N 351.874 5.082 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 9659977 CCHBLPZHYPGFRL-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB biogenic Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12558694 RVAYDIBWCICNHH-INIZCTEOSA-N 371.912 5.078 0 40 FKAB Cc1c(C(=O)N2CCC(c3ccc(O)cc3)CC2)oc2ccc(Cl)cc12 12821907 NAZANDXWEJHDTA-UHFFFAOYSA-N 369.848 5.120 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@H]2c1cccnc1 14607595 RCXZYLRPBDSIFK-QFIPXVFZSA-N 364.452 5.367 0 40 FKAB O=C(Nc1sc2c(c1[C@@H](O)c1ccccc1)CCCC2)c1cccs1 15082988 UGVGHGJFWIBCOQ-SFHVURJKSA-N 369.511 5.022 0 40 FKAB CC[C@@H](C)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 16740582 NSVWLRIIRZJVKT-LJQANCHMSA-N 354.497 6.189 0 40 FKAB Cc1ccccc1C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 16994294 GCCUPDMCWDOMAS-UHFFFAOYSA-N 358.292 5.052 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 20111459 KKTBPZWHMPRRIO-CQSZACIVSA-N 363.910 5.475 0 40 FKAB Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(C)c(C)c3)c2c1 44168056 YGGVCFVZXYTPMT-UHFFFAOYSA-N 373.500 5.530 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccccc1 59459240 FHMIJLIKIQBXBU-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB Cc1cc(NC(=O)c2cc(C)n(C(C)C)c2C)ccc1Oc1cccnc1 60033001 WMZZKDRRQRNKEC-UHFFFAOYSA-N 363.461 5.434 0 40 FKAB CCN(CC)c1ccc(NC(=S)Nc2cccc(SC)c2)c(C)c1 71761299 HBTQVLSLQAKVMQ-UHFFFAOYSA-N 359.564 5.372 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2cccc(F)c2)c2ccccc21 102620682 SPMBTYLXIPDASX-JOCHJYFZSA-N 359.425 6.076 0 40 FKAB CC1(C)CC(O)=C[C@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 103151305 MDYMAZDVTJBOGX-NFBKMPQASA-N 360.457 5.188 0 40 FKAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 216829632 PBRXXFRNMXAQJN-UHFFFAOYSA-N 369.244 5.148 0 40 FKAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2cc(C)c(C)cc21 223237706 HRLNJFZRRVIWPR-UHFFFAOYSA-N 350.300 5.005 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccccc2F)cc1C(C)C 223379976 PGFCLEDJFCLXDO-MRXNPFEDSA-N 357.469 5.076 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Oc2ccccc2)cc1 224680499 FTIDZTMQBRLNKJ-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc4ccccc34)o2)c1 224844907 WQVPNBYNWNWGGK-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccccc2Cl)cc1 225497162 VULCSTUBZMOFTM-SFHVURJKSA-N 362.926 5.422 0 40 FKAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225801262 BYODNHRMXRZCSZ-ZHRRBRCNSA-N 357.494 5.551 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2Cl)cc1 408581214 VCNXTEIRUVXYHN-UHFFFAOYSA-N 356.878 5.587 0 40 FKAB CCCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 408707652 LJXCNFXSRDCMHI-UHFFFAOYSA-N 374.234 5.236 0 40 FKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 408831289 QNIIMZHAZDEXRF-UHFFFAOYSA-N 356.878 5.668 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(Cl)c1 408913730 UBWCPRSPRLEYEC-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1cccc(F)c1 409111230 BNCPOOYJXODQNT-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB O=C(COCc1ccccc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361046 PBCDXTWUWGGKSW-UHFFFAOYSA-N 362.269 5.124 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1F 826359 JRTXIZLFHYUHET-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1OC 944202 AUHDTEQSVADGGM-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB COc1ccc(-c2cc(C)nc(-c3ccc(OC)c(Cl)c3)c2)cc1Cl 1027676 KBFMFUPQBLEROS-UHFFFAOYSA-N 374.267 6.048 0 40 FKAB Cc1ccc(-n2ncc(Cl)c(Oc3ccc4ccccc4c3)c2=O)cc1 1398209 OHTZACSFGUQFIL-UHFFFAOYSA-N 362.816 5.140 0 40 FKAB COc1cnc(-c2ccccc2)nc1Sc1cccc(Cl)c1Cl 1406868 IZLSYGOPRGAIPE-UHFFFAOYSA-N 363.269 5.610 0 40 FKAB CCCCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 2298706 GPJTYEWHKVWVNI-UHFFFAOYSA-N 351.490 5.107 0 40 FKAB CCCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)cc1 2663070 SMRPGPSIECKMTJ-UHFFFAOYSA-N 373.481 5.563 0 40 FKAB O=C(Nc1cc(Cl)c(O)c(Cl)c1Cl)c1ccc(Cl)cc1 3077797 LCKGYYBEIBQSOE-UHFFFAOYSA-N 351.016 5.258 0 40 FKAB CC(C)c1ccc(-c2csc(NC(=O)Nc3ccccc3F)n2)cc1 3241711 ZERATSKBNSKFPC-UHFFFAOYSA-N 355.438 5.717 0 40 FKAB COC[C@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1cc(C)ccc1C 3355417 JFCGBHAFTMCWJW-FRKCRFBYSA-N 370.493 5.412 0 40 FKAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)C3CCCCC3)sc2c1 4273155 GHUMDOCASGNOPZ-UHFFFAOYSA-N 365.502 5.113 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 4382210 PCUGEXZLXJOOPM-MRXNPFEDSA-N 353.506 5.515 0 40 FKAB CCNc1cc(Nc2ccccc2)c2c3c(onc13)[C@@H]1CCCC[C@H]1C2=O 4624059 JGAOFCXXZCNXHP-HUUCEWRRSA-N 361.445 5.473 0 40 FKAB CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 5378137 YTFUSKKFMOVPSQ-FJZFZJBXSA-N 366.411 5.108 0 40 FKAB Clc1ccc(-c2ccnc(Sc3cc(Cl)ccc3Cl)n2)cc1 5770099 AWNSEJYGNXWSFA-UHFFFAOYSA-N 367.688 6.255 0 40 FKAB O=C1c2ccccc2C(=Cc2ccc(Br)cc2)c2ccccc21 5948269 UROFVFIYEVOMGB-UHFFFAOYSA-N 361.238 5.582 0 40 FKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(C)cc4C)ccc3o2)c1 6504424 DYZZUGZRAKDIAQ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CC(C)(C)NCc1c(OCc2ccccc2Cl)ccc2ccccc12 6882490 TZLZHUSUZAYTJW-UHFFFAOYSA-N 353.893 5.960 0 40 FKAB CN(C(=O)c1cnc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1 7800388 JHJIGBXQKZNYRG-UHFFFAOYSA-N 371.267 5.250 0 40 FKAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1cc2ccccc2o1 8189050 JNOYQXAOWARPKM-OAHLLOKOSA-N 361.397 5.096 0 40 FKAB O=C(/C=C/c1ccsc1)N1CCCC[C@H]1c1nc2ccccc2s1 8345387 GYJQMXPURMWHML-FDMDGMSGSA-N 354.500 5.125 0 40 FKAB C[C@@H](NCc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 8535334 KFJOINXICPZUDH-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 9063970 QEMDRCPLOMKOJB-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 10325920 OGJMMTPIXCTEHY-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10461570 LBCDCKVHMRGSOJ-UHFFFAOYSA-N 358.441 5.315 0 40 FKAB CC(C)Oc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 10715505 DAQCDWBILRDJHV-UHFFFAOYSA-N 361.441 5.305 0 40 FKAB Fc1cccc(F)c1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 13661806 XAKHYZNCXSPHIR-UGKGYDQZSA-N 362.379 5.207 0 40 FKAB Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n(-c2ccccc2)n1 13701173 QAGTUBMEXCJXRI-UHFFFAOYSA-N 369.424 5.225 0 40 FKAB Cc1cc(C)c2c(-n3cccc3)c(-c3nnc(-c4ccccc4)o3)sc2n1 15107948 JTUNZMWDMYOVJN-UHFFFAOYSA-N 372.453 5.421 0 40 FKAB Fc1cccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)c1 17072661 RKDCGIZKHQBSTP-UHFFFAOYSA-N 350.343 5.624 0 40 FKAB CCCC[C@H](CC)CN1CN2CN(C[C@@H](CC)CCCC)CC2(C)C1 19319125 MSJBLPVXRJMJSY-SFTDATJTSA-N 351.623 5.026 0 40 FKAB in-man Cc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1Cl 24991870 DLJHQJNTIUIWNW-UHFFFAOYSA-N 374.918 5.650 0 40 FKAB O=C(Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)NC1CCCCC1 41127151 CMVKUBOTVQXPDA-UHFFFAOYSA-N 368.864 5.140 0 40 FKAB O=C(N(Cc1ccsc1)CC(F)(F)F)C1(c2cccs2)CCCC1 44447578 QBSHWKGXLWWXTG-UHFFFAOYSA-N 373.465 5.213 0 40 FKAB CC(C)[C@@H](CNC(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1 78673824 IVVRUOFCDRQLFE-JOCHJYFZSA-N 360.457 5.044 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)c1 219001820 WTPJIPUHTRGLBT-HXUWFJFHSA-N 357.497 5.580 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C 223434028 GBNOTDJJARPDRI-IBGZPJMESA-N 351.534 5.719 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4Cl)cc3)nc2c1 225261592 ONZHALDJNLZUFR-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)C(C)C 225761940 RXSAOJYJSZMHLK-FQEVSTJZSA-N 356.535 5.466 0 40 FKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1C 225788984 SABIBFBEPDGVNI-QGZVFWFLSA-N 356.535 5.181 0 40 FKAB CC(C)CN1C(=O)N(c2ccccc2F)[C@@H]2[C@H](c3ccccc3F)CC[C@@H]21 257310925 UHFCITOOUKACHO-ORYQWCPZSA-N 370.443 5.178 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2ccccc12 260816986 TYRPLQIRYDXXHS-QQMNAOGKSA-N 369.505 5.551 0 40 FKAB CCOP(=O)(OCC)OC(c1ccccc1)(c1ccccc1)C(F)F 306145384 CYWRXMYHSDXTJZ-UHFFFAOYSA-N 370.332 5.393 0 40 FKAB CCCOc1c(Br)cc(CNc2cccc(C)c2)cc1OC 314225737 BMZCZQWHBNAPCD-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc2cc(Cl)ccc2o1 408604706 HVBISGYJEISSPT-UHFFFAOYSA-N 364.788 5.526 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1C 1471457 ZILNSEONBJLHBR-UHFFFAOYSA-N 358.485 5.391 0 40 FKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(F)cc3)c2c1 1892522 XZDSHGUGXSCGSA-XTCLZLMSSA-N 373.427 6.042 0 40 FKAB Cc1cc(C)cc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2225906 JIQKJLGDUNWPLU-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB Fc1ccccc1-c1nc(Oc2cccc3ccccc23)c2ccccc2n1 2233438 XAOREQRIOTVRSZ-UHFFFAOYSA-N 366.395 6.381 0 40 FKAB Fc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1F 2268493 FULCVTSVCDSWMK-UHFFFAOYSA-N 367.786 5.972 0 40 FKAB c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc2)cc1 2452581 XGZFKSHOPYMODG-UHFFFAOYSA-N 374.443 6.756 0 40 FKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 3116616 KODVLEITLDIVRX-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 3225967 NFJMQVUCQPZCSK-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB Cc1ccc(C)c(NC(=S)NN(Cc2ccccc2)c2ccccc2)c1 3255254 OJQYVMWGHSXGKM-UHFFFAOYSA-N 361.514 5.212 0 40 FKAB Cc1cc(-c2csc3ncnc(N4CCC(C)CC4)c23)cc(C)c1C 3267677 PXQIQOUIHVWWSX-UHFFFAOYSA-N 351.519 5.520 0 40 FKAB CC[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849935 ORZBNFZTRWEXII-OEVSOZFUSA-N 360.538 5.310 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 4079065 RZCPKHPUFUKMIX-UHFFFAOYSA-N 367.518 5.059 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1c(-c2ccccc2)nc2ccccn12 4649867 PEQKINSRAKJQNN-UHFFFAOYSA-N 362.820 5.299 0 40 FKAB Cc1noc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccccc1 5483369 DNXYRCZEQMKIAE-UHFFFAOYSA-N 357.409 5.602 0 40 FKAB biogenic Cc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccc(Br)cc12 6280270 KVGORNAXZXKGGO-UHFFFAOYSA-N 366.161 5.034 0 40 FKAB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc1 6934997 VUNLNFKBFUBUNH-PXLXIMEGSA-N 372.468 5.010 0 40 FKAB Cc1ccc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c(C)c1 7677488 NETBGESKGBCQBE-HNNXBMFYSA-N 370.543 5.225 0 40 FKAB COc1ccc(NC(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)cc1 8020199 YQQZRDZTSPKUCW-UHFFFAOYSA-N 362.212 5.514 0 40 FKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 8277382 VPXLPIRLVMAUMA-RQZCQDPDSA-N 367.861 5.021 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 8335534 UFCOCRSOYVVCBA-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Br)cc1 9192293 LKFHRCVYUVDOTK-AWEZNQCLSA-N 373.294 5.080 0 40 FKAB CC(C)=CCC/C(C)=C/CC(C)(C)[C@@H]1OCCN1C(=O)Nc1ccccc1 9434499 UFUBSTZXCQBWGH-CURYZJDOSA-N 370.537 5.986 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3o2)cc1 9659974 FBEPWMMVSNCFRK-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB biogenic Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c1 12619480 PQZMRVWQJUXQMN-UHFFFAOYSA-N 370.399 5.116 0 40 FKAB COCc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2ccccc12 14242757 NRKGSDADSMWKDP-UHFFFAOYSA-N 350.201 5.138 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 20486306 IDAKXEXKBLINHG-HXUWFJFHSA-N 373.496 5.245 0 40 FKAB CCCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 30755258 QIOUOYBUEBCSDK-HSZRJFAPSA-N 359.469 5.303 0 40 FKAB Cc1cc2oc(=O)cc(CN(C)[C@@H](C)c3cc4ccccc4o3)c2cc1C 32754478 GYMDJKKZVBQKDU-INIZCTEOSA-N 361.441 5.349 0 40 FKAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 33325944 LGJPPCNUMHZLQB-GOSISDBHSA-N 364.514 5.571 0 40 FKAB COC(=O)c1ccc2ccccc2c1-c1c(C(=O)OC)ccc2ccccc12 71602539 IIJQXSWPACKCHL-UHFFFAOYSA-N 370.404 5.233 0 40 FKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)cc1C 96037348 HHTPIQZTKPDBCW-UHFFFAOYSA-N 359.473 5.583 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 100910920 GWWNHPTXJAWKAF-RNODOKPDSA-N 354.885 5.170 0 40 FKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccccc2)cc1 106974863 MDVIODWWYXPOGA-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 107031316 DHSCBYMNZIAGSW-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1C=C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924386 SRDSINWZFIYKJZ-XWLABEFZSA-N 370.665 8.274 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(C)c(C)c1 219046993 SUYCYTUYCOHQOF-PGRDOPGGSA-N 361.485 5.491 0 40 FKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COCC(C)C 224735972 XQMWLKWASDHNFD-UHFFFAOYSA-N 369.505 5.381 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(C)C 225663405 SHRSKMNWZQVLMI-NRFANRHFSA-N 353.506 5.644 0 40 FKAB COc1ccc(C2(NC(=S)Nc3ccccc3Cl)CCCC2)cc1 225844043 IZFFJZKRUQBITK-UHFFFAOYSA-N 360.910 5.105 0 40 FKAB O=C(NCc1ccc(-c2ccoc2)o1)C1c2ccccc2Oc2ccccc21 575611413 VFQKQGQJHFKGEV-UHFFFAOYSA-N 371.392 5.094 0 40 FKAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)c(C)c1 668517 SFCPOYIWRBEMKX-UXBLZVDNSA-N 368.889 5.732 0 40 FKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(C(F)(F)F)c1 939529 DNWDUHWHRSEWCS-UHFFFAOYSA-N 374.362 5.482 0 40 FKAB Cc1ccc(C)c(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 2266749 OSCMCUAGTZKEMO-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1Cl 3340709 BMIAAHIXVVLKKX-UHFFFAOYSA-N 364.876 5.078 0 40 FKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C)cc2)ccc1O 3911609 DVIXDYHGULDVOC-UHFFFAOYSA-N 359.429 5.076 0 40 FKAB COc1cccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1 5204306 XXODYKJMXIAUSM-FQEVSTJZSA-N 367.445 5.306 0 40 FKAB Cc1cccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5460321 NKFAXMRHBWNQGC-IFMALSPDSA-N 357.432 5.630 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 5522935 ZPRWOCBQILTGTK-UHFFFAOYSA-N 371.786 5.500 0 40 FKAB O=C(O)/C(=C/c1cccc(Cl)c1Cl)Sc1nc2ccccc2o1 7603131 KXXGVFCTCGVBTI-JYRVWZFOSA-N 366.225 5.352 0 40 FKAB O=c1cc(-c2oc3ccccc3c2-n2cccc2)c2cc3c(cc2o1)CCC3 11865288 XVBQUNYWEQCUAX-UHFFFAOYSA-N 367.404 5.486 0 40 FKAB biogenic CC1=Nc2ccccc2N=C(NC(=O)Nc2ccccc2)[C@H]1c1ccccc1 13843929 RFJKIRGCZZAQNI-OAQYLSRUSA-N 368.440 5.428 0 40 FKAB CN(C(=O)NC1CCCCC1)c1ccc(Cl)cc1C(=O)c1ccccc1 16188742 UXURCRYWRNAUSK-UHFFFAOYSA-N 370.880 5.050 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)c(F)c1F 16221240 JHJJPPAKVWYOFT-UHFFFAOYSA-N 351.180 5.220 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 17025751 IVOFIPZRHLJXPM-UHFFFAOYSA-N 374.465 5.538 0 40 FKAB CC[C@H](c1ccc(C(C)=O)c(O)c1)[C@@H](CC)c1ccc(C(C)=O)c(O)c1 17174588 ITYQQEPZCIHICS-HDICACEKSA-N 354.446 5.190 0 40 FKAB CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 20110516 CGNKHJLLCPZEAD-FLXPQLCOSA-N 369.508 6.131 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20452397 HKXPYPWAXWTFMC-QGZVFWFLSA-N 351.368 5.118 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1Cl 20461458 SXMFNNJMYOTPBO-INIZCTEOSA-N 352.261 5.406 0 40 FKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccccc3F)c3ccccn3)oc2c1 28287337 KNBMJRQNJSGLKV-UHFFFAOYSA-N 374.415 5.431 0 40 FKAB O=C(NC1CCCCCCC1)c1ccc(CN2CCc3ccccc32)cc1 30871134 ZCYATQMQQKKYFP-UHFFFAOYSA-N 362.517 5.092 0 40 FKAB Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3cccc4ccccc34)o2)c1 32759515 DWIAPBSJBLMDOX-SJORKVTESA-N 357.457 5.610 0 40 FKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(C)C)cc1 40948722 CIUOVKSQNQODQE-IZZDOVSWSA-N 374.278 5.233 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2c(Cl)ccc3nsnc23)cc1 57314129 ISVJNFONKCRCSR-BJMVGYQFSA-N 357.866 5.120 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc2c(c1)CCCC2 222959162 ITUHWYIGVXZRCX-ZWKOTPCHSA-N 373.496 5.363 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc(C(F)(F)F)c1 225345033 QYZICCFKEFNQNY-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB CC(C)Oc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225660989 NAIURCONNIZWLV-KRWDZBQOSA-N 370.562 5.517 0 40 FKAB Cc1ccccc1N=c1scc(-c2ccccc2)n1-c1ccccc1C 256004573 ULZCLLHIHQIUDB-UHFFFAOYSA-N 356.494 6.055 0 40 FKAB Cc1cccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)c1 408529948 ICBUWBJSWRGYLZ-UHFFFAOYSA-N 366.420 5.338 0 40 FKAB COc1cc2c3c(c1)/C(=C\c1ccc(C)s1)C(=O)N3C(C)(C)C=C2C 1740816348 ARGCHPDAPWSGCZ-VCHYOVAHSA-N 351.471 5.148 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1Cl 799482 XZSSQEOHCNAHKU-UHFFFAOYSA-N 356.278 5.145 0 40 FKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 992721 OBUTVQPXFQUYDZ-UHFFFAOYSA-N 373.433 5.003 0 40 FKAB Cc1cccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c1 1437020 FNSTUJFCNMQLFF-BCLKNIHHSA-N 353.465 5.477 0 40 FKAB COc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 1770449 WQHFUFZQTMCRCA-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB CC(C)CN(CC(C)C)c1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807516 DRRNLZXCGPJUMC-UHFFFAOYSA-N 367.924 6.069 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1)CO3 2114552 NATJZDGSYFVADX-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccccc1Cl 2157846 XSPGPQFABCFAID-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB Cc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c(C)c1 2256638 FCDLFHVZMBZQML-UHFFFAOYSA-N 368.415 5.392 0 40 FKAB O=C(Nc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 2336814 SCQCSTNUDBBQGR-UHFFFAOYSA-N 368.461 6.675 0 40 FKAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc4ccccc4c3)c12 2399072 JDHDRBFZGLZQBL-UHFFFAOYSA-N 372.420 5.079 0 40 FKAB CCc1c(C)sc2ncn3nc([C@@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c12 2808948 WBCZDSQWXDWWLV-HUUCEWRRSA-N 368.893 5.134 0 40 FKAB Cc1ccc2c(c1)-c1c(sn(-c3ccccc3O)c1=S)C(C)(C)N2 3176801 IUKBYDRSTAXRMC-UHFFFAOYSA-N 354.500 5.610 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 3205127 YNHNFWHVTREJDD-UHFFFAOYSA-N 369.462 6.206 0 40 FKAB Cc1cccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)c1 4162430 MEWFGXDWYFBOIC-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB Clc1ccccc1CSc1nc(-c2ccccc2)nc2c1CCCC2 4268548 OXRGCGWPFGTHEM-UHFFFAOYSA-N 366.917 5.968 0 40 FKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 4545497 AGIVSABCAYSXSN-ORAYPTAESA-N 368.546 5.989 0 40 FKAB C[C@H](c1ccccc1)n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 4575346 XFGJVXDJPDYHJL-HJUDDPQBSA-N 358.872 6.469 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc(Cl)c1 4593110 ZEYYHCDRHRNZGO-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Cc1ccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2C)cc1 4678355 ZXKBTCMLAAMREC-UHFFFAOYSA-N 369.468 5.800 0 40 FKAB Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1Cl 5448463 PMAFDSVEIPZWCD-UHFFFAOYSA-N 368.264 5.220 0 40 FKAB COc1ccc2cc([C@@]3(c4ccccc4)OC(=O)c4ccccc43)ccc2c1 5640504 MMSQDWLXYMXJAP-RUZDIDTESA-N 366.416 5.311 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 6351493 UXYZKCGLVVIZBC-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB Cc1ccccc1NC(=O)CCC(=O)OC(c1ccccc1)c1ccccc1 6861091 RZGQSROETCURML-UHFFFAOYSA-N 373.452 5.047 0 40 FKAB COc1ccc(C2=C[C@@H](c3ccccc3)N3C(=N2)Nc2ccccc23)cc1 6887001 KXOFJDWDKOSCKH-QFIPXVFZSA-N 353.425 5.079 0 40 FKAB CCOc1ccc(CC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 7614638 YDAXKCDUAFFJNE-UHFFFAOYSA-N 366.486 5.007 0 40 FKAB c1ccc(CSc2nnc(C[C@H](c3ccccc3)c3ccco3)o2)cc1 12408150 HXYYACVOBHZITP-GOSISDBHSA-N 362.454 5.330 0 40 FKAB c1coc(CNc2nnc(SCc3cccc4ccccc34)s2)c1 12878710 PIOJTXIABCSZKA-UHFFFAOYSA-N 353.472 5.189 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 15028430 HBDIEORVJGDMKJ-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB Oc1ccc(Cl)cc1Nc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 16385210 PINFGWPDXCOTGL-UHFFFAOYSA-N 373.199 5.041 0 40 FKAB O=C(Nc1cccc(Br)c1)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 17293237 KVFSWFSBUJJKAD-LSGMZNDJSA-N 374.322 5.716 0 40 FKAB CC(C)c1ccc(O[C@H](C)CNc2cccc(OC[C@H]3CCCO3)c2)cc1 19738602 OZCRGGPSQZMBPR-WZONZLPQSA-N 369.505 5.247 0 40 FKAB C[C@@H]1CC(=O)c2c(Nc3cccc(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20672218 YFBOHJLBOLZXKM-LBPRGKRZSA-N 369.827 5.173 0 40 FKAB O=C(COc1cccc2ccccc12)N[C@@H](c1ccccc1)C1CCCC1 67192424 ZZPXCXBSKSCHII-DEOSSOPVSA-N 359.469 5.266 0 40 FKAB Brc1ccc2nc3c(c(-c4ccccc4)c2c1)-c1ccccc1C3 71328745 KPYZNZSEGQBDTQ-UHFFFAOYSA-N 372.265 6.236 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 72212115 HKEBZMDXYOKLPV-QFIPXVFZSA-N 372.468 5.028 0 40 FKAB O=C(Nc1cccc2[nH]ccc12)N(CCC(F)(F)F)C1CCCCC1 84717086 FCLIEVBDZJGRBW-UHFFFAOYSA-N 353.388 5.287 0 40 FKAB FC(F)SCc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)o1 95989243 SYSBOBZOGQGVEA-OAHLLOKOSA-N 373.852 5.392 0 40 FKAB CC1=C(C)[C@H](C)[C@]2(C)N(c3ccc(Br)cc3)N=N[C@@]2(C)[C@H]1C 101043401 AEIGMGYOVQMLSX-USJZOSNVSA-N 362.315 5.776 0 40 FKAB Cc1ccccc1[C@H]1Sc2ccccc2N=C2C1=C(O)c1ccccc12 101424600 XZFNACJWLRJDJX-HSZRJFAPSA-N 355.462 6.246 0 40 FKAB CCOC(=O)n1c(-c2ccc3ccccc3c2)cs/c1=N\c1ccccc1 101544507 OWFOUVAKMCVQET-LNVKXUELSA-N 374.465 5.607 0 40 FKAB Cc1cc2c(cc1C)N(Cc1ccccc1Cl)C(=O)[C@@H]1CCCC1=N2 101945992 CHXFPRRTDYRRBZ-MRXNPFEDSA-N 352.865 5.376 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 223000912 LXAIATZBPXIVMB-FCHUYYIVSA-N 353.506 5.345 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C 223491491 VGNLIXLDXBZMLM-IRXDYDNUSA-N 359.897 5.218 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224425485 FXTXAHREWOFONS-QGZVFWFLSA-N 373.452 5.917 0 40 FKAB O=C(CCc1ccccc1F)Nc1cc(Cl)ccc1Oc1ccccc1 224705241 QDBZDARKHRNIJJ-UHFFFAOYSA-N 369.823 5.843 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)cc(C)c1OC(C)C 225518091 QESIECSRDMQGHC-UHFFFAOYSA-N 369.480 5.680 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cccc(C)n2)c2ccccc2)c(C)c1 225769590 HWMAODTZCQWBJH-OAQYLSRUSA-N 361.514 5.083 0 40 FKAB Cc1cc(NC(=S)NC2(C(C)C)CCCC2)ccc1Br 225854219 NBUOPJKWITVHLA-UHFFFAOYSA-N 355.345 5.013 0 40 FKAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c2cccnc12 225905193 YXCPXIMENOWERF-JOCHJYFZSA-N 372.509 5.194 0 40 FKAB Cc1ccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)nc1 257336851 YQHHZIQWMWOZGF-HSZRJFAPSA-N 372.468 5.092 0 40 FKAB CCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(OC)c1 408619988 FUTCOSCXETYGTQ-UHFFFAOYSA-N 374.868 5.120 0 40 FKAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CSCc2ccccc2)cc1 408860838 GJIGVYJNEAFXMO-JBACZVJFSA-N 351.515 5.038 0 40 FKAB CC(C)c1ccc(OCc2nc(-c3ccccc3)no2)c(Br)c1 639386 ASENQUGOZCKAHS-UHFFFAOYSA-N 373.250 5.202 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1O 683173 PPHSZQJGTNNOHX-UHFFFAOYSA-N 351.833 5.206 0 40 FKAB Cc1ccc2cc3c(N)c(C(=O)Nc4c(C)cccc4C)sc3nc2c1 899151 JYVWXMZCDSXANZ-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c(C)c1 1105219 KLIPGBKYZLIZNG-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(C)cc1 1339971 NPTIPVHASBSKIE-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1480346 PIYCMGWZBJSWFL-HNNXBMFYSA-N 364.876 5.570 0 40 FKAB CC(C)(C)P(CCCCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C 2539877 LZOGYLUPNPTZLL-UHFFFAOYSA-N 360.547 8.315 0 40 FKAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2ccccc12 3330223 IZZGZIDFDVBORW-UHFFFAOYSA-N 353.727 5.666 0 40 FKAB O=C(COC(=O)CCC1CCCCC1)Nc1ccccc1-c1ccccc1 3331707 PWECFSYGQFXEQU-UHFFFAOYSA-N 365.473 5.196 0 40 FKAB Cc1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc1-c1ccccc1 4698403 ODURBKPNOGNBMO-UHFFFAOYSA-N 366.530 5.664 0 40 FKAB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C(C)C)c2C)o1 5434797 IFPKYBIZZPFJGS-UHFFFAOYSA-N 369.490 5.019 0 40 FKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 5556061 HRSLEIVTVCMXNX-ISKFKSNPSA-N 372.443 5.685 0 40 FKAB Cc1csc(N(C(=O)COc2ccc3ccccc3c2)c2ccccc2)n1 6219759 CGFIOHKURVIJAD-UHFFFAOYSA-N 374.465 5.348 0 40 FKAB CCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 7261658 LDQTUSFXZGDGRQ-UHFFFAOYSA-N 366.274 5.057 0 40 FKAB Cc1ccccc1COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1 9374736 KVKTWSHLUSLXMR-UHFFFAOYSA-N 370.452 5.645 0 40 FKAB COc1ccc2c(Cl)c(C(=O)N3CCCC[C@@H]3C)sc2c1Cl 9514602 HULPQHGMCRFFIP-VIFPVBQESA-N 358.290 5.231 0 40 FKAB Cc1ccccc1CSCCNC(=O)CCc1ccc(C(C)(C)C)cc1 10331677 PDZSGSCXBYIRKE-UHFFFAOYSA-N 369.574 5.275 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 13931247 XMCZSCXBTGPRSU-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 14257917 KMJODMLBRXOJSU-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20040564 PNJSSYVHNHTMCU-UHFFFAOYSA-N 363.482 5.418 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(Cl)cc1Cl 20045881 PCQVRRFLDWTGBK-QGZVFWFLSA-N 366.288 5.084 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)o1 22076865 QFPMDQLNKKZKMA-BTYIYWSLSA-N 355.865 5.120 0 40 FKAB CCOC(=O)C(/C=C(\C)CCC=C(C)C)(C(=O)OCC)C1CCCCC1 22113133 PBTOZILCSCTOST-FBMGVBCBSA-N 364.526 5.372 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1)c1ccc(C)cc1 22512045 YCHZTOACCVVINN-XZOQPEGZSA-N 361.485 5.573 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)NC12CC3CC(CC(C3)C1)C2 59484679 ZDGPJWWMSJFYQD-UHFFFAOYSA-N 360.457 5.676 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccccc3)ccc21 197259952 RHARVOLEUHVVKX-INIZCTEOSA-N 374.509 5.934 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 222848939 XKTVNHAPWJWTFS-CVEARBPZSA-N 373.924 5.591 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC 224436899 SVTOZINFQAQFCP-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB CCCCc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225128170 KJRRYPNPLAIDHD-OAQYLSRUSA-N 354.490 5.401 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1CCCCCC1 225353243 HRLHCOUWAQIMLD-UHFFFAOYSA-N 370.587 5.988 0 40 FKAB Fc1ccc(Cc2ccc([C@@H]3CCCN3CCc3ccccc3)nc2)cc1 257266990 MFKZNABHCMITSZ-DEOSSOPVSA-N 360.476 5.191 0 40 FKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)sc2c1 408849468 YYYSMIOZWGMRHB-NTEUORMPSA-N 371.820 5.347 0 40 FKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O 409014085 FAFXVZDNFYJTES-GXZKMCQRSA-N 356.491 5.447 0 40 FKAB Brc1ccc2[nH]cc([C@H](c3cccs3)N3CCCC3)c2c1 1775970894 KINRELLGDXTHHT-QGZVFWFLSA-N 361.308 5.177 0 40 FKAB O=C(c1ccccc1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 683186 MBCPHQSEBCLNCF-UHFFFAOYSA-N 351.405 5.323 0 40 FKAB COc1ccc(-c2nc3scc(-c4ccc(Cl)cc4)c3c(=O)o2)cc1 976777 GXKLTOWWGIQQEY-UHFFFAOYSA-N 369.829 5.246 0 40 FKAB c1ccc(N2CCN(c3ccccc3)C2Cc2c[nH]c3ccccc23)cc1 1580801 YNKZDGMNMSFHPF-UHFFFAOYSA-N 353.469 5.063 0 40 FKAB c1ccc(-c2csc3ncnc(Sc4ccc5ccccc5c4)c23)cc1 1895273 FMEMGAPYQGAOSP-UHFFFAOYSA-N 370.502 6.663 0 40 FKAB Cc1nc(-c2ccccc2)nc(Cl)c1Oc1cccc(C(F)(F)F)c1 2570681 ITLZHFLHNDQKTL-UHFFFAOYSA-N 364.754 5.917 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2570924 JZXWMRRINBPBCC-LICLKQGHSA-N 359.425 5.530 0 40 FKAB CC(=O)c1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 2638756 JZJZEBMRESFNQK-UHFFFAOYSA-N 370.499 5.010 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(F)cc3Cl)sc2c1 3292161 PRYCAUORLCLESU-UHFFFAOYSA-N 362.857 5.684 0 40 FKAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 3326045 KMRFHNRVHDYGJO-FDDCHVKYSA-N 370.496 5.348 0 40 FKAB O=C(CSc1cc(Cl)ccc1Cl)N[C@H]1CCCc2ccccc21 3339378 QBGWMBAKXRLDDX-INIZCTEOSA-N 366.313 5.279 0 40 FKAB aggregator C[C@@H]1CCc2c(sc3ncnc(Oc4cccc5c4OC(C)(C)C5)c23)C1 3458716 AEQMZTHCICAIIA-GFCCVEGCSA-N 366.486 5.322 0 40 FKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4301373 HTEDHDXDXIPNOV-UKILVPOCSA-N 368.480 6.052 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)OCC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C 4416317 WREMQSJLLUEZTM-ZOBUZTSGSA-N 350.886 5.033 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 4477953 YRMXCILLNZAXNX-SXHPWKJGSA-N 371.524 5.318 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 4616890 QNMQWTUZQKYMCI-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 4733648 AEJUAYVNLQYFIR-UHFFFAOYSA-N 371.440 5.133 0 40 FKAB CC(=O)Nc1cc(N)c(/C=C\c2ccccc2)cc1/C=C/c1ccccc1 5260758 DQPFZYHALGYMAH-PMJBJKLVSA-N 354.453 5.568 0 40 FKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2cccs2)C1 5483681 PMRIOVIZDJACLX-LJQANCHMSA-N 372.449 5.210 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCC(C)CC2)cc1 5500281 HGGOJTUGOYYFMD-NZAVSEOKSA-N 360.501 5.753 0 40 FKAB COc1cccc(Sc2nc(-c3ccccc3)nc3ccsc23)c1 5676338 YLQJIPVJFOSOPU-UHFFFAOYSA-N 350.468 5.518 0 40 FKAB COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Cl 6303215 CZJXLDXKUKYVGN-UHFFFAOYSA-N 351.833 5.197 0 40 FKAB COc1cc(CNCC(C)C)cc(Cl)c1OCc1ccccc1Cl 6883543 LYGGUVRKCCNPIS-UHFFFAOYSA-N 368.304 5.327 0 40 FKAB COc1ccc(CNc2nc(C)nc3scc(-c4ccccc4)c23)cc1 6949117 CANUMCHUDHWXGW-UHFFFAOYSA-N 361.470 5.287 0 40 FKAB Cc1noc(C)c1CN(C(=S)Nc1cccc(Cl)c1)c1ccccc1 7738019 ILNOKIWXLNRZJI-UHFFFAOYSA-N 371.893 5.348 0 40 FKAB O=C(c1ccc(F)cc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 8105729 GVBWZMWDSSSCHX-LBPRGKRZSA-N 374.868 5.109 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc3c(s2)CCCCC3)cc1 12401532 HENBDXPPXDPZQC-OAHLLOKOSA-N 356.535 5.353 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12652675 GFPXAFZFUGVACR-MAIORPNCSA-N 357.494 5.269 0 40 FKAB CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 14291402 UYSONHUAMQLFOK-UHFFFAOYSA-N 369.804 5.029 0 40 FKAB CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)OC(C)=O 14494916 CMOYPQWMTBSLJK-QKQONQEDSA-N 354.531 5.739 0 40 FKAB in-vitro CC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@@H]1c1ccccc1 14607975 ZRZFIELNGPFWMV-NRFANRHFSA-N 373.481 5.027 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2Cl)c2ccccc2)cc1 16243017 MPOVDGUGQFBWDI-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(C)cc3)n2)cc1 17075909 ZWRLDIZGYOJNRI-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB Cc1ccc(C)c(Nc2nc(-c3cc(Cl)ccc3Cl)c(C)s2)c1 18192510 QBLOKORLHUVRRC-UHFFFAOYSA-N 363.313 6.786 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3C)o2)cc1Cl 20140315 QSCUOOMJXUWAPG-UHFFFAOYSA-N 369.804 5.167 0 40 FKAB CCCCOc1ccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)cc1 21524381 HLOXWVXUXUDYIY-UHFFFAOYSA-N 364.445 5.009 0 40 FKAB O=C(CSCc1cccc2ccccc12)Nc1ccccc1OC(F)F 23742042 SIJPZFOBZILNBB-UHFFFAOYSA-N 373.424 5.313 0 40 FKAB CC1(C)C[C@H](NCC[C@@](C)(c2cccc(C(F)(F)F)c2)C2CC2)CCO1 32087951 MXIQFLMWRRVXLL-UYAOXDASSA-N 369.471 5.310 0 40 FKAB CC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1Nc1ccccc1 32922446 FZTMDOZEEIKLIE-UHFFFAOYSA-N 370.408 5.631 0 40 FKAB Cc1cc2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc2[nH]1 69950867 NJUSOEJNBHGPRA-UHFFFAOYSA-N 359.454 5.275 0 40 FKAB CC[C@H](C)N1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 85430381 DYYQRBZMEFVULR-LIRRHRJNSA-N 350.437 5.436 0 40 FKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2ccc(Cl)s2)cs1 102369959 FQOSUAMITZVQRJ-GARJFASQSA-N 352.912 5.290 0 40 FKAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)c1ccc(F)cc1 195616520 WPABIKSPKDCIEN-AWEZNQCLSA-N 369.465 5.165 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 219525896 AEYREVLMWVHXKS-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(C)c(C)c1 224287137 KLJUQHTYHJENGR-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672396 NIRJLVLQDGAMDA-GOSISDBHSA-N 354.519 5.201 0 40 FKAB Cc1cc2c(cc1-c1ccnc3nc(C4CCC4)nn13)NC(C)(C)C[C@@H]2C 575473101 GYAFOVCWHWVKSN-AWEZNQCLSA-N 361.493 5.065 0 40 FKAB CCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1C 643191 OSBXUQZQTBGULF-UHFFFAOYSA-N 361.441 5.414 0 40 FKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc(F)cc1 822378 FVBYBKCKHOMPTI-VGSWGCGISA-N 374.459 5.347 0 40 FKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccc(F)cc2)n1 856344 OYHLVEDZEIADEK-UHFFFAOYSA-N 372.808 5.453 0 40 FKAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2nc1Cl 1367777 LBTGFTSTCIHVOF-UHFFFAOYSA-N 372.921 5.505 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1cc2ncc(C(F)(F)F)cc2s1 1397202 LGYGBHBBTQEMRE-UHFFFAOYSA-N 371.771 5.613 0 40 FKAB COc1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 1696685 XXCULLCDFXVZRH-UHFFFAOYSA-N 366.551 6.561 0 40 FKAB Cc1ccc(C)c2c1N(C)[C@]1(C=Nc3c(ccc4ccccc34)O1)C2(C)C 1817681 KPWBMHJHMMJPKT-DEOSSOPVSA-N 356.469 5.675 0 40 FKAB Cc1ccc(C(=O)Oc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2061960 NXDQWQOYGFYKBJ-UHFFFAOYSA-N 359.450 5.799 0 40 FKAB COC(=O)c1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 2218585 NWTKIPDVMDMZEV-UHFFFAOYSA-N 374.371 5.015 0 40 FKAB O=C(NCC12CC3C[C@@H](CC[C@H](C3)C1)C2)c1ccc(Cl)cc1Cl 2373240 DUZBJZBCURKBHL-VZBZIDJMSA-N 352.305 5.330 0 40 FKAB Cc1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1-c1ccccc1 2887406 QYGSABZKCIBPMF-FMIVXFBMSA-N 354.862 5.424 0 40 FKAB Cc1cc(C)cc(-c2ccc(-c3ccc(-c4cc(C)ccc4C)cc3)cc2)c1 3018603 BPBJRPGIMQUBBN-UHFFFAOYSA-N 362.516 7.921 0 40 FKAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(C2CCCCC2)cc1 3295143 HEUDYOBAGUEMMM-UHFFFAOYSA-N 368.458 5.352 0 40 FKAB c1ccc(-c2ccccc2OCc2ccc(-c3nnc4n3CCC4)cc2)cc1 3307105 OGJVAROLAZSHFL-UHFFFAOYSA-N 367.452 5.137 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(C)cc23)c1 4904711 FJQLEXYJGSVQSS-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1ccc(C)c(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)c1 5554532 TZUCWUFWRBEVSM-UHFFFAOYSA-N 370.448 5.964 0 40 FKAB C[C@@H](Sc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 6080629 YVGPKMNSIDHNRF-SECBINFHSA-N 351.258 5.083 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 6479680 KKRGUDFFQXWYQF-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2Cl)cc1 6810676 RZOHORBIYGGRTP-UHFFFAOYSA-N 374.267 5.737 0 40 FKAB O=C(Cc1ccc2c(c1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl 8231688 AEXHICZGHHBFIG-UHFFFAOYSA-N 353.771 5.029 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 12533575 GWACHCISCVFNRJ-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccs1 12758088 JXVZFNAHXDXASV-HNAYVOBHSA-N 353.512 5.459 0 40 FKAB CCCCCC(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 14258065 GZIBGYNKKMXINI-UHFFFAOYSA-N 358.441 6.167 0 40 FKAB CC(C)c1ccccc1NC(=S)NCCCCOc1ccc(F)cc1 15156525 QJDLPDRRFYNEOH-UHFFFAOYSA-N 360.498 5.095 0 40 FKAB Fc1ccccc1CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 22076509 HFYGHQBZDDIXTC-UHFFFAOYSA-N 364.247 5.725 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 22510876 ATVRCTXPEAKBHI-MBSDFSHPSA-N 361.485 5.491 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(CSc2ccccc2)cc1 23680028 BTIIEMVLWXJBFJ-UHFFFAOYSA-N 361.510 6.102 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1CCc2sccc2[C@H]1C 25382545 VADWKCCIDANSHR-LLVKDONJSA-N 360.529 5.001 0 40 FKAB Cc1nc(SCc2ccc(Cl)cc2Cl)n(C[C@H]2CCCO2)c1C 32719378 ZKOZUISPNDUNRD-OAHLLOKOSA-N 371.333 5.278 0 40 FKAB Fc1ccccc1COc1ccc(C(=S)N2CCCCC2)cc1Cl 33653863 GOMOMRPBEJYOQJ-UHFFFAOYSA-N 363.885 5.220 0 40 FKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 39773136 GQGHMMQDKQOWDJ-UHFFFAOYSA-N 368.496 5.019 0 40 FKAB FC(F)(F)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 40231859 DRFDXARMVGBUGW-UHFFFAOYSA-N 354.759 5.178 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl 58839942 WDZAMTNWBLPZHH-JTQLQIEISA-N 358.652 5.361 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2ccc(F)cc2s1 59294335 ULAQDALXDXYRIA-DHZHZOJOSA-N 364.401 5.347 0 40 FKAB Cc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1cccc(F)c1 67341605 AJTPFQLSXAQAEI-UHFFFAOYSA-N 370.840 5.159 0 40 FKAB O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 72408080 XZZMZTMNQNQNLR-UHFFFAOYSA-N 358.466 5.648 0 40 FKAB COc1cccc(CN(C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1 84061256 LNFYMIBGVGPSNJ-OAHLLOKOSA-N 370.880 5.505 0 40 FKAB CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 106979467 CPUBOKLMAYBPNT-UHFFFAOYSA-N 365.087 6.311 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 118915191 KCBHZVKBMOMXJF-LQDRYOBXSA-N 358.566 6.297 0 40 FKAB biogenic Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 118927998 JHTFPRFKUMCPIU-DIEUKUJRSA-N 368.565 5.207 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(C)cccc1C(C)C 216271308 HJGKYYXKFDDFGZ-JOCHJYFZSA-N 361.485 6.068 0 40 FKAB C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(F)cc1 222693163 AETKMHDHHZNCMN-CYBMUJFWSA-N 351.874 5.229 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1ccc(CSc2ccccc2)cc1 223392884 IXQOLUYMWWZETI-SFHVURJKSA-N 355.547 5.925 0 40 FKAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc2ccccc2c1 225055207 ZGFFUVJHUSEHLV-UHFFFAOYSA-N 359.878 5.017 0 40 FKAB CO[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCC[C@H](C)C1 225637925 BPOAYYVNUOGDBK-SBUREZEXSA-N 367.489 5.108 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225810138 TYRPLQIRYDXXHS-SAHWJRBASA-N 369.505 5.551 0 40 FKAB CCC[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3s2)c1 226776802 VGDLZWUSLTTYBP-UHFFFAOYSA-N 368.707 5.077 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 250208507 KLDWEGODAHJCRI-IOBXNNCGSA-N 353.849 5.335 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1cccnc1)c1ccccc1 263621547 JUTFCESOBKGUSZ-VLTRPUBQSA-N 372.449 5.490 0 40 FKAB CCOc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 409113564 HHISPXMAXXVEGZ-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1cc(C)cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)c1 855250 ZXVXVVPYHIXQGF-UHFFFAOYSA-N 371.893 5.078 0 40 FKAB Clc1ccccc1Cn1c(-c2cccnc2Cl)nc2ccccc21 1386014 PJZPFSZDPKDYPE-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB CCCCNc1nc(SCc2ccc(Cl)cc2Cl)ncc1C 1679415 AFSULSPZSBLCIY-UHFFFAOYSA-N 356.322 5.596 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3c(C)cc(C)cc3C)ccc21 2085901 VBXCMCVMIPXUEX-UHFFFAOYSA-N 356.469 5.992 0 40 FKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(Cl)cc4)coc3c12 2095368 OPMOAADDYGUBLX-UHFFFAOYSA-N 366.844 6.511 0 40 FKAB biogenic CCN(c1ccccc1)c1nc(F)c(F)c(N(CC)c2ccccc2)c1F 2207141 XWTILDFMMASTLK-UHFFFAOYSA-N 371.406 5.815 0 40 FKAB COc1ccc(C2=C[C@H](c3cccs3)n3c(nc4ccccc43)N2)cc1 2914881 BFUWLHQUAQCMEO-LJQANCHMSA-N 359.454 5.162 0 40 FKAB CN(c1ncnc2scc(-c3ccc(Cl)cc3)c12)C1CCCCC1 3299073 RBCKKWZIOWSPSW-UHFFFAOYSA-N 357.910 5.781 0 40 FKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 3348569 FSQMFBDFBGKWQF-UHFFFAOYSA-N 367.901 6.360 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 4071751 ZAHOKDVLNAQGEB-UHFFFAOYSA-N 350.365 5.184 0 40 FKAB CCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 4858108 GCGGCHHSIQHIBU-QHCPKHFHSA-N 357.497 5.866 0 40 FKAB Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3cccs3)C2)cc1 5003548 FKXGVXZSRDYQEQ-SFHVURJKSA-N 373.308 6.411 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5745502 JXZJIDWELUCSHC-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1cccc(C)c1NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6315338 TUMYWMWURASTBY-UHFFFAOYSA-N 372.497 5.656 0 40 FKAB CC(C)c1ccccc1NC(=S)Nc1cc(Cl)c(N)c(Cl)c1 6508620 CGTRNMMXBTVQDN-UHFFFAOYSA-N 354.306 5.508 0 40 FKAB Fc1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 6530237 GWGKPOZLVPGUTN-UHFFFAOYSA-N 361.441 6.440 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)s2)nc2cccc(Br)c12 6884022 JFEQJJADWQGBOJ-UHFFFAOYSA-N 368.639 5.077 0 40 FKAB COc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl 8161624 QPFBVWFLVKEHAI-UHFFFAOYSA-N 361.681 5.464 0 40 FKAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccccc1F 8518210 UQBDYVZNWHZBHY-UHFFFAOYSA-N 364.401 5.480 0 40 FKAB Cc1ccccc1Cn1ccc(NC(=O)Nc2cccc3ccccc23)n1 8571191 ZNMZFGSQHGZUIX-UHFFFAOYSA-N 356.429 5.037 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 9659980 JCWZLEPQNJQAKL-UHFFFAOYSA-N 356.381 5.104 0 40 FKAB biogenic COc1ccccc1Oc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1 12798763 RTYHYDILAUZXBU-UHFFFAOYSA-N 372.424 5.530 0 40 FKAB Oc1nc(/C(Cl)=C/c2cccc(F)c2)nc2cc(C(F)(F)F)ccc12 13598003 WACXMKNYUWMODN-QPEQYQDCSA-N 368.717 5.230 0 40 FKAB CCCCN(CCCC)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13946372 RSOPVTNWTRBPCW-UHFFFAOYSA-N 372.745 5.238 0 40 FKAB Cc1nc(-c2ccccc2)nc(Nc2ccccc2)c1Cc1ccccc1 16808402 WLTQKCAONTVAEF-UHFFFAOYSA-N 351.453 5.786 0 40 FKAB C[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 20492011 HNZXYPITZVDYEB-IBGZPJMESA-N 370.496 5.130 0 40 FKAB CC(=O)Nc1ccc(F)c(NC(=O)c2sccc2-c2ccc(C)cc2)c1 23003454 KUOOVGBNQPVPPI-UHFFFAOYSA-N 368.433 5.073 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 33627292 SUQNGDIEEBYGGF-XFXZXTDPSA-N 370.235 5.727 0 40 FKAB COc1cc2cc(C(=O)O)cc(-c3cccc4ccccc34)c2cc1OC 62702290 YUNZGKNAMBMTOL-UHFFFAOYSA-N 358.393 5.375 0 40 FKAB Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)c(C(=O)O)c2)cs1 85397519 WULDVPQFZCWTFK-UHFFFAOYSA-N 359.834 5.049 0 40 FKAB CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 105833371 JIDYEQGOCGVHLM-FYYLOGMGSA-N 372.493 5.651 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219291357 LUNNBAUYHITOPB-AWEZNQCLSA-N 359.853 5.067 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C 223442987 GRNUICJMBIEZEC-QGZVFWFLSA-N 359.897 5.302 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224452950 DTODZTKARYFKSM-QHCPKHFHSA-N 374.484 5.085 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c3c(cccc13)CC2 224472815 PLBRBODMPAVNEZ-NRFANRHFSA-N 359.469 5.351 0 40 FKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OC(C)C 225521203 LKJGNWXYDSTXQF-UHFFFAOYSA-N 355.453 5.372 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521567 OCAXSXJFBCBAHG-UHFFFAOYSA-N 355.453 5.292 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 253504932 NIXXKMPUWREKQR-BYKUIFLTSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro Fc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1Cl 408613080 XIXRGVHJNSRRPN-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 408901208 CBOSAGUHQHHIMW-RAOBZKRQSA-N 353.443 5.105 0 40 FKAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccccc1 637880 KQYLNXVEVNPJHA-UHFFFAOYSA-N 363.269 5.293 0 40 FKAB CC(C)c1ccc(OCc2ccc(C(=O)NC3CCCCCC3)o2)cc1 672693 OVUHWBFCBQSDFP-UHFFFAOYSA-N 355.478 5.435 0 40 FKAB Oc1cccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 955658 VYGYXJYEHOXGAZ-UHFFFAOYSA-N 353.834 5.461 0 40 FKAB Cc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3N)n2)cc1 1415865 NYEWNENQVITBFZ-UHFFFAOYSA-N 366.877 5.207 0 40 FKAB O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1cccs1 1485884 NCEBMEMUJLWYHH-KRWDZBQOSA-N 359.903 5.251 0 40 FKAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 2772521 NLDOAYOMGBGNLM-UHFFFAOYSA-N 360.844 5.163 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(Br)cc1 3221824 AFMSAPWGORTBCK-UHFFFAOYSA-N 360.276 5.214 0 40 FKAB Clc1cccc(Oc2nc(-c3cccs3)nc3ccccc23)c1Cl 3336312 BGEFKXCTAJYTDW-UHFFFAOYSA-N 373.264 6.457 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2c(F)cc(F)cc2Br)cc1 3356398 SUNXQSVHDJGVHT-UHFFFAOYSA-N 368.221 5.277 0 40 FKAB Clc1ccc(SCc2nc(Cl)c3c4c(sc3n2)CCC4)cc1 3369816 FYOFLNNAGNWVNH-UHFFFAOYSA-N 367.326 5.779 0 40 FKAB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1cccs1 4541100 BQPZGSFCJLSZNE-UHFFFAOYSA-N 369.449 5.468 0 40 FKAB Clc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4665049 POBOJHJMTUJOGH-GGAORHGYSA-N 358.872 5.868 0 40 FKAB biogenic CCCCCC1=NO[C@@H](c2ccc([C@H]3CC(CCCCC)=NO3)cc2)C1 4687213 RBNDAUCVIMURRL-FGZHOGPDSA-N 356.510 6.482 0 40 FKAB CCCN(CCC)c1nc(C)nc2c1sc(=S)n2Cc1ccccc1 4698615 IAOYFZZFKRFZSA-UHFFFAOYSA-N 372.563 5.205 0 40 FKAB c1ccc(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)cc1 5390942 GXFKHXXAXYNQBJ-QFIPXVFZSA-N 359.450 5.773 0 40 FKAB COc1nc2ccc(C)cc2cc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 5533222 VHFWJZBWNHALLG-UHFFFAOYSA-N 373.456 5.566 0 40 FKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 5597607 FVAAXSFRJRMXSG-UHFFFAOYSA-N 372.877 5.505 0 40 FKAB CCN(C(=S)Nc1ccccc1)[C@H](C)Cc1cccc(C(F)(F)F)c1 5807705 WGTJOZNUHWRJIN-CQSZACIVSA-N 366.452 5.355 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](C)c1ccccc1 5881657 WCFBVNNCDJGEPJ-GOSISDBHSA-N 366.464 5.701 0 40 FKAB Clc1c(-c2nnc(SCc3ccccc3)o2)sc2ccccc12 6091406 IPHMZKPUCOMJFJ-UHFFFAOYSA-N 358.875 5.897 0 40 FKAB CC1(C)C[C@](CCN2CCCCC2)(c2cccc(C(F)(F)F)c2)CCO1 6661179 LHJQDJDEANOGFB-HXUWFJFHSA-N 369.471 5.408 0 40 FKAB Cc1cc(SCC(=O)Nc2ccc3ccccc3c2)c2ccccc2n1 6714484 YSZHSINPVYAQQR-UHFFFAOYSA-N 358.466 5.427 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(OCc2ccc(Cl)cc2)cc1 6857389 LAVYUJBRAFCYTL-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB Cc1ccc(NC(=O)Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1Cl 7699076 CHOQZIODRPVQCW-UHFFFAOYSA-N 373.924 6.854 0 40 FKAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccc(F)cc1Cl 11618660 VMMXDBALCWKKIB-UHFFFAOYSA-N 354.812 5.197 0 40 FKAB CCn1c(Cc2cccs2)nnc1SCc1ccc(F)cc1Cl 14112926 DIYITBDIDIMSOL-UHFFFAOYSA-N 367.902 5.035 0 40 FKAB CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758075 GOUNWNDLJVFNIL-UHFFFAOYSA-N 365.889 5.771 0 40 FKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C1CCCCC1 17121214 CIOSUCINGMKHTB-UHFFFAOYSA-N 351.475 5.186 0 40 FKAB Cc1ccc([C@@H](NC(=O)COc2ccc(C(C)C)cc2)c2ccccc2)cc1 20051011 LBUMJWQIDNKREL-VWLOTQADSA-N 373.496 5.403 0 40 FKAB C[C@H](NC(=O)Nc1ccc(Br)cc1Cl)c1cccs1 20536144 JLDLDHDSXCSJNL-QMMMGPOBSA-N 359.676 5.047 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1C 38756571 VJGOXPKWZMVTKG-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccc(F)c(F)c1 58365804 ACLLIMFYKCCWHP-UHFFFAOYSA-N 355.409 5.069 0 40 FKAB O=C(Nc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1ccccn1 67321254 LYZKZZHTIXZDBO-UHFFFAOYSA-N 372.255 5.627 0 40 FKAB CCCCOC(=O)c1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1 71760708 FGJWSWWRYVPSTJ-UHFFFAOYSA-N 370.518 5.576 0 40 FKAB Cc1c(-c2nnc3sc(CCCc4ccccc4)nn23)oc2ccccc12 96194298 IGUHOMKITVJQNR-UHFFFAOYSA-N 374.469 5.083 0 40 FKAB C[C@@]12CC3CC(C(=O)Nc4c(F)c(F)cc(F)c4F)(C1)C[C@@](C)(C3)C2 102572888 CLEOFNJQYFEPDU-XSOFZIHFSA-N 355.375 5.178 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1C 218987961 XLURNQHSFUUXCL-HSZRJFAPSA-N 373.496 5.764 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 223297927 GONXIJZAWLXLEB-SFHVURJKSA-N 361.938 5.348 0 40 FKAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 224080266 GTKMSGULUDCCIQ-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB O=C(CSCc1ccc(Cl)cc1F)Nc1cccc2ccccc12 224509206 OTUODIZJDJAYLB-UHFFFAOYSA-N 359.853 5.504 0 40 FKAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OCC 224705737 HNPWXRSKIIBGIC-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 224936368 IYXWCHQPWPIJKP-SFHVURJKSA-N 366.505 5.125 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C 225365441 SXTQYLMSWVNGMQ-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OC 409114103 CFAXUQNKDGHCOC-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB Cc1cccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682402 OHINENBVGXXKCP-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCCCC1 998708 LJAXVLNSPVHVMP-UHFFFAOYSA-N 356.878 5.243 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 1914020 WRWVKXFOZBGGSJ-UHFFFAOYSA-N 366.486 5.225 0 40 FKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc([C@H](C)CC)cc2)c1 2053673 RTTBUKYPUYVZPT-OAHLLOKOSA-N 370.518 5.116 0 40 FKAB COc1cccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)c1 2733736 UANWPPQCXGIMEE-UHFFFAOYSA-N 365.383 5.342 0 40 FKAB O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1cccnc1 3156075 IUCIQXQCFRHJKQ-UHFFFAOYSA-N 371.434 5.568 0 40 FKAB Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)c2c1CC(C)(C)O2 4105215 PBRDMDWOLLZVRE-UHFFFAOYSA-N 350.245 5.268 0 40 FKAB Fc1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)cc1 4413603 LKGABVQDHYYWHK-UHFFFAOYSA-N 372.443 5.243 0 40 FKAB CCc1nc(SCC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 4538764 PFVBFYRHUHTKOR-UHFFFAOYSA-N 368.527 5.108 0 40 FKAB C[C@@H](NCC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4898472 KXPJSSIVKJYOLN-HMXCVIKNSA-N 371.590 5.853 0 40 FKAB Cc1noc(C)c1CSc1ncnc2cc(-c3ccc(F)cc3)sc12 5040010 AZOLMLITTJQXKB-UHFFFAOYSA-N 371.462 5.395 0 40 FKAB Cc1ccccc1Oc1nc(-c2ccc(OC(C)C)cc2)nc2ccccc12 5562473 HQOLMGOKNQDCIC-UHFFFAOYSA-N 370.452 6.185 0 40 FKAB Clc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 6238010 KXFRRWIVTOPBCK-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccccc1SCc1ccccc1 7684654 VUJQVGQFUVUTNC-UHFFFAOYSA-N 369.489 6.384 0 40 FKAB Cc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)ccc1Br 7990045 SPNAXMCGIFUGIW-UHFFFAOYSA-N 352.316 5.549 0 40 FKAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Cl)cc2)n1 10577844 HIGCKWRCJZRJCM-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CCOc1ccc2cc(CNc3ccccc3-c3ccccc3)c(=O)[nH]c2c1 13561327 QICRFOCMNSGCSQ-UHFFFAOYSA-N 370.452 5.206 0 40 FKAB COc1ccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)cc1 14171638 CRCFSLFDRNIDPK-HXUWFJFHSA-N 367.445 5.306 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(Cl)c1Cl 15581986 FYGJSXQFZDFQFQ-UHFFFAOYSA-N 374.315 5.145 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1F 16346975 XYCQGKJEZXVBDC-HXUWFJFHSA-N 359.404 5.386 0 40 FKAB CC(C)(C)C(=O)NCc1ccc(-c2csc(Cc3ccccc3)n2)s1 16941597 WIEDGHOOFROEAW-UHFFFAOYSA-N 370.543 5.125 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 20490772 DHGYKYWTRWNJRA-UHFFFAOYSA-N 362.860 5.155 0 40 FKAB CCCCn1nc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl 21555488 XUMCUYAOZQMQSF-UHFFFAOYSA-N 360.672 5.204 0 40 FKAB CCn1c2ccccc2c2cc(CN[C@@H](C)[C@@H](O)c3ccccc3)ccc21 22076200 NAFBMJAIFIWATM-BXKMTCNYSA-N 358.485 5.026 0 40 FKAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1OC1CCCC1 24929376 UUAHZZQUOXONBK-UHFFFAOYSA-N 363.816 5.061 0 40 FKAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)o1 27281641 OPZVCTMLYZCOHJ-SJCJKPOMSA-N 368.864 5.343 0 40 FKAB Cc1ccc(CN2CCC3(CCN(Cc4cccc(F)c4)CC3)CC2)s1 96047233 RIHYZUQTMAHCRQ-UHFFFAOYSA-N 372.553 5.074 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1c[nH]c2ccccc12 96118827 RGSGGHIQSDLARU-SFHVURJKSA-N 363.848 5.110 0 40 FKAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 222901746 IOCUCRKMDOOFAP-CFRMROPGSA-N 374.311 5.763 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COC(C)C 224425351 RAYJJYMACQOVFQ-UHFFFAOYSA-N 368.260 5.179 0 40 FKAB CCc1nc2ccc(NC(=S)N[C@@H](C)CCc3ccccc3)cc2s1 225208040 ZGPBUFGRZGDMPN-AWEZNQCLSA-N 369.559 5.166 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521302 WMTQNAZXKXPLJJ-QGZVFWFLSA-N 369.480 5.762 0 40 FKAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C 225665363 PVLHCNVQFWVGQV-JTSKRJEESA-N 361.526 5.488 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1[C@@H](C)CCC[C@H]1C 226330347 WLGWXDFQCBCHQO-GASCZTMLSA-N 371.912 5.250 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247417114 QMRDTBCVNBSBEQ-MENMYXSPSA-N 369.464 5.835 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 408625029 WNXLOHRLTJEDQR-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB Clc1ccc(COc2ccc(CNc3ccccc3)cc2Cl)cc1 409115368 IVTPBCVUPIUKGQ-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 409223190 FSSQXULYIOCMNF-UHFFFAOYSA-N 357.862 5.116 0 40 FKAB N[C@H](COc1ccccc1Oc1cccc(Cl)c1)Cc1ccccc1 2037873306 NTEZMNWYXRVVCB-SFHVURJKSA-N 353.849 5.081 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 712554 DUEMBHXVRVWJAI-UHFFFAOYSA-N 359.535 5.391 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1C 892235 FLLLPMSWPBYLBI-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB CC(=O)Nc1cccc(C2=Nc3ccccc3S[C@H](c3ccco3)C2)c1 952056 GWARVWMULWLGJM-NRFANRHFSA-N 362.454 5.596 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1SCCC(F)=C(F)F 1398601 RPTGHAMFWTXPRA-UHFFFAOYSA-N 371.811 6.152 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H](c1ccccc1)C1CCCC1 2056995 RYUFWEGNPLISHE-RUZDIDTESA-N 367.492 6.170 0 40 FKAB COc1ccc([C@@H](Sc2ccccc2)[C@@H]2CCc3ccccc3C2=O)cc1 2106392 YSYQPWBORRSKGM-ISKFKSNPSA-N 374.505 5.974 0 40 FKAB CN(C)c1ccc(N=c2cc(-c3ccccc3)oc(-c3ccccc3)c2)cc1 2250692 HUKIJCVWNBVDKH-UHFFFAOYSA-N 366.464 5.912 0 40 FKAB CCSc1nc(-c2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2318177 ZHDUXDVZDGGVBM-UHFFFAOYSA-N 356.516 5.322 0 40 FKAB c1ccc(Cc2ccccc2NCc2csc(-c3ccccc3)n2)cc1 3242603 XQBWBKXRQHDBSD-UHFFFAOYSA-N 356.494 6.013 0 40 FKAB COc1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 3277792 PBHOZDBOSVKLDH-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB Clc1ccc(Cl)c(-c2ccc(-c3ncc(-c4cccs4)o3)o2)c1 3407989 LUUMWOADRZQZGV-UHFFFAOYSA-N 362.237 6.637 0 40 FKAB CC(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658676 SKHNNJKCEAHUAL-UHFFFAOYSA-N 363.461 5.727 0 40 FKAB CCC[C@H]1CC[C@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 4000024 IESPCFYHXLJIEM-RXFWQSSRSA-N 372.556 5.973 0 40 FKAB biogenic CCCC[C@@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)c1ccccc1 4691842 VOSOOKGSMUKXBQ-FYYLOGMGSA-N 360.582 7.425 0 40 FKAB CCCSc1nc(SC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 5112073 PMPUNAZLUYREKK-INIZCTEOSA-N 354.566 5.157 0 40 FKAB O=C(Nc1ccccc1F)c1oc2ccccc2c1COc1ccccc1 5578064 FVVIATWAXKQKRZ-UHFFFAOYSA-N 361.372 5.403 0 40 FKAB CC(C)Oc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 5644300 YCLOXHDTSZZCMJ-HAVVHWLPSA-N 357.453 5.653 0 40 FKAB CCOC(=O)C(C/C=C\c1ccccc1)(C/C=C\c1ccccc1)C(C)=O 5716588 QNQGBIMFGVFSCT-APGQMXJTSA-N 362.469 5.332 0 40 FKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@](O)(C(F)=C(F)F)[C@@]3(C)CC[C@@H]21 5764562 AWUGBSODAQALNP-RNEDXHKXSA-N 366.423 5.360 0 40 FKAB CSc1ccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)cc1 5902129 YDSGJFGCLHIWTM-ZSOIEALJSA-N 363.269 5.448 0 40 FKAB CC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 5976380 OXWZCBBGEYDJCU-OJHMXROSSA-N 356.550 5.894 0 40 FKAB biogenic Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1[N+](=O)[O-] 6478373 SATIJNWYJUYSFQ-ODLFYWEKSA-N 363.394 5.493 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1cccs1 6857380 OXXDPXXHVYMPLN-UHFFFAOYSA-N 361.551 5.640 0 40 FKAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1C(C)C 7113036 OUQUYZIRIZJJIU-OAQYLSRUSA-N 363.461 5.046 0 40 FKAB CCc1cccc(C)c1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 13004698 UTPNJQHYHFFWLI-QHCPKHFHSA-N 372.512 5.070 0 40 FKAB CCn1c(SCc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 14101465 PQUXSPWGBYVVAM-UHFFFAOYSA-N 369.509 5.694 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OC 14427500 CDVLOBCKLWLTGJ-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Cc1ccc(OCCS[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 15492262 AYYDTSWZZAGUJW-HNNXBMFYSA-N 363.910 5.096 0 40 FKAB CC(C)C(NC(=O)c1ccc(CSCc2ccccc2)cc1)C(C)C 20238950 YVAODMFBZHPLBE-UHFFFAOYSA-N 355.547 5.530 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@]1(CCC[C@@H](C)C1)O3 25108426 JXNJBNZHPPYGOK-QKFKETGDSA-N 368.473 5.358 0 40 FKAB Cc1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(F)c1 25709073 GIGMKLRXYQQQKE-UHFFFAOYSA-N 360.841 5.472 0 40 FKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccccc1 33649549 YGMSDFVHLBXXKL-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB C[C@@H]1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c2ccccc2S1 40134969 VLLQZMQOBMZHHA-CQSZACIVSA-N 369.534 5.047 0 40 FKAB Cc1ccc(Nc2nc(C)c(C(=O)NC3CCCCCC3)s2)c(C)c1 71326596 WZZXZWWLWLOIPW-UHFFFAOYSA-N 357.523 5.265 0 40 FKAB Clc1ccc2c(-c3ccccc3)nc(Nc3nc4ccccc4[nH]3)nc2c1 79046825 NPSXOLQBKVPYRI-UHFFFAOYSA-N 371.831 5.570 0 40 FKAB O=C(Nc1cccc2ccccc12)c1cccc(OCc2cccnc2)c1 95350819 BCRHTUIBQIYXCK-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB COc1ccc(/N=c2/cc(-c3ccc(OC)cc3)oc3ccc(O)cc23)cc1 100346802 GZBUZCUHQUUESZ-FLFQWRMESA-N 373.408 5.055 0 40 FKAB biogenic Cc1ccc(C)c(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)c1 102765876 HRSLEIVTVCMXNX-VWNXMTODSA-N 372.443 5.685 0 40 FKAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)CCCC2 222995126 DHNZNYVLOWCLBQ-KRWDZBQOSA-N 365.517 5.119 0 40 FKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1 223371943 HOUYFMVRZLCZHE-UHFFFAOYSA-N 366.288 5.100 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1C 223432158 UPMFWNSPAPYXAS-QGZVFWFLSA-N 357.453 6.002 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 224596602 HTHCTAAXRDWVAC-UHFFFAOYSA-N 367.832 5.783 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1C 225683591 QNKJQBVBBBPLHE-HXUWFJFHSA-N 357.881 5.323 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 409028838 RHSUZZFRAISGGO-RMKNXTFCSA-N 366.313 5.056 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 409264836 GFOCFGPHGZFTKX-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CCc1cc(C(=O)Nc2nc3c(s2)CCCC3)sc1-c1ccccc1 585152406 ZTFWFZYFNDIFCR-UHFFFAOYSA-N 368.527 5.565 0 40 FKAB Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCCCC2)c1C 630414 NIUUWDFMVWJKAN-UHFFFAOYSA-N 360.498 5.132 0 40 FKAB aggregator CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C)cc1 948600 GZNZCVHBODFJRW-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB Cc1ccsc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 3317359 HNKJMLIZFPYBEE-UHFFFAOYSA-N 359.491 5.099 0 40 FKAB COc1cccc(COc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)c1 4340608 TWMHSVFRAUOPTB-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic O=C(Nc1cccc2ccccc12)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 4524962 UFQISGODMCVDRI-VPQNOXPISA-N 374.311 5.634 0 40 FKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](CC)C4)N2)cc1 4545446 HCLXPEYUCAMXBA-XIKOKIGWSA-N 356.491 5.091 0 40 FKAB Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1Cl)Sc1ccccc1N2 4747382 JYYRIMAUEVNEGP-GOSISDBHSA-N 355.846 5.540 0 40 FKAB Clc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 5170263 UNGGPGYZRPXWLN-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(Cl)cc2)(CCC(C)C)CCO1 5297410 CVNUMWUDLRWDOU-FCHUYYIVSA-N 365.989 6.221 0 40 FKAB O=C(OCc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 5506857 KIFUPUIUGIRTFF-UHFFFAOYSA-N 350.801 5.321 0 40 FKAB COc1ccc(-c2c(-c3ccccc3)n[nH]c(=S)c2-c2ccccc2)cc1 5640218 CZEOFQQYUQAKNH-UHFFFAOYSA-N 370.477 6.149 0 40 FKAB Cc1ccc(-c2nc(C(=O)NCC(C)C)cc3c2[nH]c2ccccc23)cc1 6173649 WEDAZLFTSJLFLD-UHFFFAOYSA-N 357.457 5.077 0 40 FKAB biogenic Cc1ccc(NC(=S)Nc2ccc(Br)cc2C)cc1F 7374289 FKFNEAREDGPRCR-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 10109296 DLOWTJZQJLFKHG-UHFFFAOYSA-N 353.834 5.327 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCC2)cc1 10335723 YMDDCBBXWYYFFG-UHFFFAOYSA-N 372.468 5.327 0 40 FKAB Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)o2)cc1 12539013 WDOARPRIOTZXKN-UHFFFAOYSA-N 370.839 6.810 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 12656799 RXZQACCASWKYSX-XOZNFQIQSA-N 373.537 5.347 0 40 FKAB biogenic Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)-c1ccccc1OC2 12970763 SEHYNXNNZSKBCC-UHFFFAOYSA-N 361.803 6.254 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 13710877 IHZKNLUHQIJPRE-NSHDSACASA-N 372.679 5.670 0 40 FKAB Cc1ccc(C)c([C@@H](C)CCC(=O)NCCc2c[nH]c3c(C)cccc23)c1 13942989 NQZVDWVUDKKNKL-SFHVURJKSA-N 362.517 5.336 0 40 FKAB Clc1ccc(-c2nc3ccccc3nc2-c2cc3ccccc3o2)cc1 16525743 CRXXFNYUWNXBLF-UHFFFAOYSA-N 356.812 6.363 0 40 FKAB Cc1ccc([C@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)cc1 30851625 DYAXJMVXXSKISA-UUFSLDAJSA-N 361.872 5.567 0 40 FKAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccc(F)c2)no1 33167410 UQKPNHSPYJQNBC-UHFFFAOYSA-N 364.348 5.048 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc4ccccc4c3)c2c1 46086261 ZHYRHLKBZDJFGM-UHFFFAOYSA-N 373.452 6.326 0 40 FKAB O=C(Nc1cccc2cnccc12)N1CCC[C@@H]1c1cccc(Cl)c1 47325274 HWXUMTCMVHPGQT-LJQANCHMSA-N 351.837 5.257 0 40 FKAB Fc1ccc(-c2cnc(SCc3ncc(-c4ccccc4)o3)[nH]2)cc1 48264113 WEQJVBHRXXBFPY-UHFFFAOYSA-N 351.406 5.163 0 40 FKAB O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)[C@@H]1CC=CCC1 58003576 NUJPCGPMXBVWDT-GYVBGXKYSA-N 350.506 5.362 0 40 FKAB O=C(Nc1cnccc1Oc1ccccc1)c1ccc(-c2ccc(F)cc2)o1 65492281 QRSRWZDIXMELNB-UHFFFAOYSA-N 374.371 5.525 0 40 FKAB Cc1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339396 NDBRESRHUQYUPK-VQHVLOKHSA-N 356.219 5.156 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C 118926169 BEDPXTVFPSLUPA-ZXKBGTPZSA-N 372.593 6.401 0 40 FKAB COC(=O)c1c(O)cccc1CC[C@@H]1c2ccccc2C[C@H]2CCCC[C@@H]12 216160736 OUPDCYDORAMWNW-HMXCVIKNSA-N 364.485 5.258 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)c(C)c1 219031492 WJDKRFFVODFHDQ-WZONZLPQSA-N 361.485 5.491 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 223000851 LXAIATZBPXIVMB-FGZHOGPDSA-N 353.506 5.345 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(C)C 223263298 LLRDHURHJTYPKZ-QGZVFWFLSA-N 367.533 5.916 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224267020 IQZBWXLQKGFTRL-UHFFFAOYSA-N 359.425 5.529 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225513819 WRWGZUZWFIJPMH-UHFFFAOYSA-N 365.517 5.933 0 40 FKAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C)c(Cl)c1 225703085 YRBSQONDSXORLD-GOSISDBHSA-N 360.910 5.021 0 40 FKAB Fc1ccc(C[n+]2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(Cl)c1 226308563 NSQRCMDGCWEFJC-UHFFFAOYSA-N 374.222 5.277 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2cccc3ccccc23)cc1 409110428 VZKGOSGYPXZTEL-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1 409118615 OQQUGQWISIYOBB-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB C[C](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 1560407668 MWISCCLJVBAAOH-UHFFFAOYSA-N 370.394 5.508 0 40 FKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(C)C 1776004391 QRJJVJZFWDCBJX-UHFFFAOYSA-N 358.290 5.226 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cnc4ccccc4c3)sc2c1 892377 OXFPBYRRANTBSH-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB COc1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 998853 IZJNNBLMNLBTLF-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB Cc1cc(OCCn2cc(C(=O)C3CC3)c3ccccc32)ccc1Cl 1422712 LMFIAKXTTSKLRR-UHFFFAOYSA-N 353.849 5.275 0 40 FKAB COc1ccc(-c2nc3ccccc3c(C(=O)N3CCC[C@H](C)C3)c2C)cc1 1480370 OUULYIMFGANQEG-INIZCTEOSA-N 374.484 5.091 0 40 FKAB c1ccc(CSc2ccc3nncc(SCc4ccccc4)c3c2)cc1 1693190 XQMJVNPACMENQI-UHFFFAOYSA-N 374.534 6.214 0 40 FKAB CCOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2267637 FMHPRTMICXHYFH-UHFFFAOYSA-N 351.449 6.481 0 40 FKAB CC(C)c1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 2338281 GVQDYPVKBYPEPD-UHFFFAOYSA-N 356.425 5.918 0 40 FKAB CCCCOc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 2742596 RUASIGSSJBCKLJ-UHFFFAOYSA-N 372.515 5.206 0 40 FKAB O=C(/C=C/c1ccc(Br)o1)Nc1cc(Cl)cc(Cl)c1 3169465 UMGDKSJGWAQBIS-DUXPYHPUSA-N 361.022 5.001 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 3427747 VVTLYNUDFIKUOU-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Cl)s3)n2)c(C)c1 4070270 HTAPHLIJGDGBCT-UHFFFAOYSA-N 362.907 5.703 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CC(c1ccccc1)c1ccccc1 4666262 YREWQZQMUJKZEZ-UHFFFAOYSA-N 365.860 5.509 0 40 FKAB Clc1ccc(Cc2cn3cc(-c4ccccc4)nc3s2)cc1Cl 5020414 SRWXTIRIWXCXPA-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)c1ccc2c3c(cccc13)CC2 5514363 KKJOLEXUXBCXBB-PGRDOPGGSA-N 359.469 5.063 0 40 FKAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccc3ccccc3c2)c(Cl)c1 8127058 IDRGGPJANAFWDL-UHFFFAOYSA-N 366.892 5.181 0 40 FKAB CCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2cc(Cl)ccc21 8393049 AZAZUOASIPVZLR-CYBMUJFWSA-N 373.909 5.219 0 40 FKAB Cc1cc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)on1 8547773 KOPIDQZSHZLVAM-UHFFFAOYSA-N 374.897 5.302 0 40 FKAB Cc1ccc(Cc2cnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 11690438 KEECJWZGHUMKFB-UHFFFAOYSA-N 357.866 5.340 0 40 FKAB COCCCN(Cc1ccccn1)CC1(c2ccc(Cl)cc2)CCCC1 12241497 IXTWIBRMVXDYKH-UHFFFAOYSA-N 372.940 5.086 0 40 FKAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl 12812879 SIBDVVOPEBNARG-XIKOKIGWSA-N 363.288 5.061 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 13689110 PGLGHURYEUFGPC-ZDUSSCGKSA-N 359.347 5.265 0 40 FKAB Cc1cc(Cl)ccc1OCCNc1cccc(OCc2ccccc2)c1 19738465 FTAPHEBDXLQOHU-UHFFFAOYSA-N 367.876 5.718 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 20458012 ZNMKKVFNFKQPQS-APWZRJJASA-N 359.897 5.300 0 40 FKAB Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCCCC1 20506698 CGNHPBFJLBBMHJ-UHFFFAOYSA-N 351.881 5.123 0 40 FKAB COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccc(C)cc1 20873930 NDXYZJJWVOZWQM-IBGZPJMESA-N 361.485 5.433 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 22250771 MWJUXROYSGXGIG-UHFFFAOYSA-N 357.759 5.318 0 40 FKAB Cc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc1 27744164 WCOSRQVYOOZADK-UHFFFAOYSA-N 356.425 5.292 0 40 FKAB COc1ccc(CCNC2c3ccccc3C=Cc3ccccc32)cc1OC 31949560 OALPJTIBFFLWLB-UHFFFAOYSA-N 371.480 5.109 0 40 FKAB CCCc1ccc(OCc2ccc(C(=O)N([C@H](C)CC)[C@H](C)CC)o2)cc1 36611222 PDBDTXDDABIHFJ-QZTJIDSGSA-N 371.521 5.850 0 40 FKAB CCCN(C(=O)[C@@H]1CC=CCC1)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 40150688 BXKPEVPFNLVXDL-RTBURBONSA-N 366.505 5.081 0 40 FKAB CN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(Oc2ccccc2)cc1 60334607 NHMRYMQUVGBZPG-UHFFFAOYSA-N 373.239 5.457 0 40 FKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 89821381 MIHURGCTHDDWQI-NSFRLNINSA-N 370.427 5.217 0 40 FKAB Cc1noc2c1[C@H](c1ccsc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102748355 PBFLEUXQVBIMIB-KXBFYZLASA-N 362.454 5.652 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12 222865397 IJHZREDPMYJUJK-QGZVFWFLSA-N 355.437 5.077 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 224566185 CVWPSHZCOHRPEB-ZDUSSCGKSA-N 366.288 5.831 0 40 FKAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCC1 225830280 YMRJANIIQVNJFI-UHFFFAOYSA-N 355.478 5.305 0 40 FKAB CCC1(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CCCC1 225855742 JGBXCIOGXRPJQE-UHFFFAOYSA-N 370.587 5.988 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)nc1 225872797 HBBMMPLSLPFYIU-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226254489 FUPAFJFQIHPONJ-MRXNPFEDSA-N 351.494 5.023 0 40 FKAB COC(=O)c1c(O)cccc1CC[C@@H]1c2ccccc2C[C@@H]2CCCC[C@H]21 242592435 OUPDCYDORAMWNW-CEWLAPEOSA-N 364.485 5.258 0 40 FKAB Fc1ccc(N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 254344118 ULLSWQNZMZLLLQ-WPGSFSKCSA-N 368.814 6.474 0 40 FKAB COc1ccc(-c2cc(N)n(-c3c(Cl)cc(Cl)cc3Cl)n2)cc1 408952600 OLIRLCYUWIDLQV-UHFFFAOYSA-N 368.651 5.090 0 40 FKAB O=C(Nc1cc(F)ccc1F)c1ccc(-c2ccc3ccccc3c2)s1 586564423 XQARSBCVYYUTJW-UHFFFAOYSA-N 365.404 6.099 0 40 FKAB Cc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)sc2c1 650205 RQAPNFLHJJKJDX-QPJJXVBHSA-N 363.269 5.563 0 40 FKAB CCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 932767 FEUQOBOLJUVIQF-UHFFFAOYSA-N 356.878 5.407 0 40 FKAB COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CNCC(C)C 1666894 USRDQHSOXIBJCN-UHFFFAOYSA-N 369.896 5.386 0 40 FKAB Cc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 3067986 FEYIBZAXJPGFQX-NRFANRHFSA-N 367.851 6.214 0 40 FKAB CCC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 3418654 PPQHQNWQPODOKF-LJQANCHMSA-N 359.498 6.312 0 40 FKAB CSc1nccn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl 4024057 COZNUSFRBRQQON-UHFFFAOYSA-N 365.285 5.480 0 40 FKAB CC(C)(C)c1ccc(COc2ccnc3cc(C(F)(F)F)ccc23)cc1 4025447 CVIYEYPGBLGAKY-UHFFFAOYSA-N 359.391 6.130 0 40 FKAB CCCCOc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 4644547 JMWIYNXVITUNTN-QNGOZBTKSA-N 363.457 5.333 0 40 FKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]1(C)[C@@H]2C 5276200 RCUTXCNUFHNHOK-CQGBHZQASA-N 374.565 5.078 0 40 FKAB CSc1ccccc1-c1nnc(SCc2ccc(C(C)(C)C)cc2)o1 5284320 ZIVXMKNHBZGIHA-UHFFFAOYSA-N 370.543 6.048 0 40 FKAB Cc1ccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 5700901 JSZSPFCUJKSIRE-UHFFFAOYSA-N 374.509 5.304 0 40 FKAB O=C(COc1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 6053100 LKFWIWWGQMRZGK-UHFFFAOYSA-N 367.448 5.124 0 40 FKAB O=C(CCCOc1ccccc1)NCCC(c1ccccc1)c1ccccc1 6306354 PVIJCRGYIOJANU-UHFFFAOYSA-N 373.496 5.184 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Nc1ccccc1)c1ccccc1 7222356 SKYFDAAXIUIMHQ-LJQANCHMSA-N 370.374 5.497 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 10111753 MJGWMHDBLYGKMB-SFHVURJKSA-N 369.574 5.712 0 40 FKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2ccccc2c1 11326521 MCDLMSNVTWDBEM-UHFFFAOYSA-N 360.388 5.205 0 40 FKAB CCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(Cl)cc34)oc12 11869901 GYJRBMHPGFPNQV-UHFFFAOYSA-N 354.789 5.567 0 40 FKAB biogenic C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 13646863 GKPTZVJEWYVLIG-GFCCVEGCSA-N 350.289 5.782 0 40 FKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3)c2)cc1 19691399 OWOVXLNSYCNXGL-QHCPKHFHSA-N 372.468 5.043 0 40 FKAB C[C@@H]1CCCC[C@H]1N1CN(c2ccccc2)C(=S)N(c2ccccc2)C1 20374915 XDQUFZGDZXHXFK-WIYYLYMNSA-N 365.546 5.094 0 40 FKAB CCc1ccccc1-n1nc(-c2ccc(C)cc2)c2cnc3ccccc3c21 20603577 TWPJBUBYFLROCY-UHFFFAOYSA-N 363.464 6.112 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@@H]32)C1 21983956 MZWRIOUCMXPLKV-LDNUBOAFSA-N 356.506 5.006 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 22515663 IVAHHSZKXRAOMW-ROUUACIJSA-N 353.506 5.246 0 40 FKAB CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 34030604 WJQHBBMQIFJYHD-UHFFFAOYSA-N 361.066 5.268 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 38544551 YHTRVWPOAJKWBV-ZXKBGTPZSA-N 374.609 6.625 0 40 FKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(Cl)cc2)cc1 44087560 QGJIGCWCIYJVJP-UHFFFAOYSA-N 368.933 6.536 0 40 FKAB CN(Cc1cccs1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44776385 CVMQFHGKXXXSCS-HOTGVXAUSA-N 368.527 5.066 0 40 FKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(Cc2ccccc2)c2ccccc21 49021287 UNRZIQVDVVUGOC-KBMIEXCESA-N 370.496 5.580 0 40 FKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1 67297409 AVXJNDYJYKZTGB-LVWGJNHUSA-N 374.827 5.571 0 40 FKAB Cc1cccc(C)c1NC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 97164617 HNYULYSXKCCNQR-QHCPKHFHSA-N 370.496 5.677 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc(C)c1Cl 223198182 BODNKAVRSVVYHQ-CVEARBPZSA-N 371.908 5.090 0 40 FKAB Cc1cccc(-c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2N)c1 225178661 SQTCCSVTLVWWNQ-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)c(C)c1 225476558 WBOZBDHJEBAAGQ-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB CCCOc1c(C)cc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C 225666228 ACWMXLJRVMOECD-KSFYIVLOSA-N 361.526 5.406 0 40 FKAB CC(C)=CCC[C@]1(C)Oc2cc(C(C)(C)C)ccc2[C@@H]2O[C@H](C)CC[C@H]21 257210630 BVNICHGMSNERLH-OITMPTDNSA-N 356.550 6.738 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(Cl)c3)sc2c1 863024 QLDCXHVJRLIIOG-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB CCCc1nc2sc3c(NCC(C)C)ncnc3c2c2c1CCCC2 1261446 XJEHDTCTZNAZAC-UHFFFAOYSA-N 354.523 5.139 0 40 FKAB CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 2714053 HKIRVDBMESDMCQ-UHFFFAOYSA-N 368.484 5.324 0 40 FKAB Fc1cccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)c1 4002821 WRILPPLBMKRYJC-OUKQBFOZSA-N 362.835 6.048 0 40 FKAB CSc1cc(-c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1 4106569 HYYJHPPKLRIVOB-UHFFFAOYSA-N 353.249 5.707 0 40 FKAB CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)[C@H]2CC=CCC2)cc1 4963833 PQWHISPSOTUKEL-SFHVURJKSA-N 364.441 5.025 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5185062 ZZHDDUDLMOFFAP-UHFFFAOYSA-N 360.501 5.044 0 40 FKAB Cc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)c(C)c1 5192031 UYZJJDIATFZLED-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 5215514 SQHDIHVDTRSLSJ-UHFFFAOYSA-N 371.271 5.609 0 40 FKAB COc1ccc(-c2n[nH]c(SCc3ccc(-c4ccccc4)cc3)n2)cc1 6171299 JHALPNPYTVRBOD-UHFFFAOYSA-N 373.481 5.440 0 40 FKAB Clc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 6326861 MTVVZOBMHBNJEO-UHFFFAOYSA-N 369.833 5.337 0 40 FKAB CC[C@H]1CCc2c(sc3ncn4nc([C@H]5C[C@@H]5c5ccccc5)nc4c23)C1 6489715 HROCJKXDDUZIEW-XKQJLSEDSA-N 374.513 5.125 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 6526972 GANIKNFBATYIGW-UHFFFAOYSA-N 358.800 5.306 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 7096795 MCAWNCKKIGGCPS-YDIMBITNSA-N 367.448 5.878 0 40 FKAB c1csc(COc2ccc(CNCCc3c[nH]c4ccccc34)cc2)c1 7524025 JJVJASNVZRQVQS-UHFFFAOYSA-N 362.498 5.141 0 40 FKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NCc1ccco1 9142049 ISFFJZGIAYNSCO-GQCTYLIASA-N 362.212 5.176 0 40 FKAB Cc1ccc(-c2csc(NC(=O)Cc3ccc4ccccc4c3)n2)cc1 12620672 YGFGYTZFCDRSLY-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB CC(=O)c1c(N2CCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 13128653 JUXKYDBFKHMXAZ-UHFFFAOYSA-N 350.849 5.358 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(N2CCCCC2)cc1 14399869 UGAMMYALAVSCIW-UHFFFAOYSA-N 356.469 5.596 0 40 FKAB COc1ccc(Nc2cc(-c3ccccc3)nc(SC)n2)cc1Cl 15831940 ACNDBOOJKSNIRI-UHFFFAOYSA-N 357.866 5.271 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)c(C)c1 20036957 QNKVXYDIGKLSOT-LJQANCHMSA-N 359.469 5.373 0 40 FKAB Cc1cc(O)c(C(C)C)cc1NC(=O)/C=C\c1ccc(OC(F)F)cc1 33523467 PTSAUBRDCFCIIQ-TWGQIWQCSA-N 361.388 5.077 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 33762613 WXRPRMGFNNVJOB-UHFFFAOYSA-N 356.897 5.706 0 40 FKAB O=C(O)/C=C/c1cc(Br)c(-c2cccc(Cl)c2Cl)o1 40545529 XBTNWMBXFCBOFN-SNAWJCMRSA-N 362.006 5.114 0 40 FKAB Fc1ccccc1-c1c[nH]nc1[C@H]1CCCN1Cc1ccc2ncccc2c1 72380352 JBILWRJWVQZBIQ-JOCHJYFZSA-N 372.447 5.101 0 40 FKAB Brc1cc(-c2ccccc2)cc2nc(Cc3ccccc3)oc12 73638793 VXDPERHWVALCAA-UHFFFAOYSA-N 364.242 5.848 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc4ccccc34)C2=C(O)C1 102876263 ZDUZENOBYVNRQE-DEOSSOPVSA-N 368.480 6.711 0 40 FKAB Clc1c(Cl)c(Cl)c(S[C@@H]2C3C[C@H]4C2[C@@H]4C3)c(Cl)c1Cl 104205545 VMRNTOXMEGDGLH-WNOLNOFSSA-N 374.547 6.700 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)cc(Cl)c1 222946423 SMMFYOYXOLFXOZ-INIZCTEOSA-N 352.261 5.406 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 223392255 BQHRKGCJJBIDKY-ZDUSSCGKSA-N 367.901 5.711 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 225483864 OALLFXYSRYLNAN-MRXNPFEDSA-N 352.425 5.452 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225541867 ZIAIPGATCXFMDM-IBGZPJMESA-N 365.517 6.013 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2Cl)c1 228959440 ZWIQTYGHQRBTOB-UHFFFAOYSA-N 353.249 5.770 0 40 FKAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408555599 GMANSUUFFHIWGI-KRWDZBQOSA-N 368.285 5.171 0 40 FKAB Clc1ccccc1COc1ccccc1-c1nc2ccccc2s1 409192208 BJTPWDRLIBWYOX-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB CC[S@@](=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 1775974118 LIHPWKYXZINZGA-AREMUKBSSA-N 363.482 5.042 0 40 FKAB c1ccc(COc2ccc(-c3nnc4ccc5ccccc5n34)cc2)cc1 705405 QHKUPTBMEKSUHL-UHFFFAOYSA-N 351.409 5.129 0 40 FKAB COc1ccc([C@](C)(OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1580599 GAHXUHKFGIOQQX-DEOSSOPVSA-N 370.533 5.906 0 40 FKAB C1CCc2c(oc3c2CCC[C@H]3C[C@@H]2CCCc3c2oc2c3CCCC2)C1 2099794 WORTVCJWMABZCN-IRXDYDNUSA-N 364.529 6.560 0 40 FKAB biogenic CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 2440239 ZKOMISPYMYSZGS-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccccc1Cl 2796503 GWEVYUGTEVFUTB-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB C[C@H](C(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 3134695 ZBHSNQDGAVFNCQ-QMMMGPOBSA-N 363.166 5.149 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(Br)cc1 3441619 SWTLBCSUCWPQIT-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB O=C(CSc1nc2ccccc2o1)n1c2ccccc2c2ccccc21 4104236 LZMIOHUMAOJMAW-UHFFFAOYSA-N 358.422 5.368 0 40 FKAB Cc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1 4428837 GPDUQHRULOJFSH-UHFFFAOYSA-N 366.529 7.079 0 40 FKAB CC(C)(C)c1cc(C(C)(C)C)c(OC(=O)[C@@H]2CC23CCC3)c(C(C)(C)C)c1 4481534 VVRAXFBEBOXDEW-IBGZPJMESA-N 370.577 6.675 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 4554852 UOFADGLOODWIOX-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB C[C@@H](Sc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5873027 CWMKIJZLYRSZMS-SNVBAGLBSA-N 359.800 5.478 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)cc1 7080192 ABKUHODYCRGIRX-AWEZNQCLSA-N 354.475 5.136 0 40 FKAB Cc1nc(SCc2ccc(Cl)cc2)c2c3c(sc2n1)CCCCC3 7984692 VKGSNXQTTPQJRB-UHFFFAOYSA-N 374.962 6.214 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 8480363 QNMSGNPUAPEPMV-UHFFFAOYSA-N 351.368 5.020 0 40 FKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCCCCC1 8572546 LIGJAMPYBXZZPD-UHFFFAOYSA-N 362.473 5.417 0 40 FKAB O=C(Nc1ccccc1O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12909717 GTNWVPWYEXHDRA-UHFFFAOYSA-N 374.371 5.106 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12989146 GKGHLGMLTMBMIO-CQSZACIVSA-N 352.409 5.066 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccccc1Cl 12997704 ZMNDCLCJFSRJFT-UHFFFAOYSA-N 356.878 5.044 0 40 FKAB Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1Cl 13820620 LAQFJRLXJYOOBM-UHFFFAOYSA-N 366.917 5.724 0 40 FKAB C[C@H]1CCc2c(-c3n[nH]c(=S)n3[C@H](C)c3ccccc3)csc2C1 13950205 ANPFXFLVVYEHRV-QWHCGFSZSA-N 355.532 5.403 0 40 FKAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1 21017525 WMGDMASZKZJGBJ-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB Cc1ccc(-c2nc(Cn3c(C(F)(F)F)nc4ccccc43)co2)c(C)c1 23055667 RNXLAWXOIAOSFW-UHFFFAOYSA-N 371.362 5.375 0 40 FKAB COc1ccc2nc(C)c(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3)cc2c1 24455579 ZZSACXVIGRSSBI-CQSZACIVSA-N 368.864 5.038 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2oc3ccccc3c2C)cc1 27744126 APRBZRJCDVFUDM-UHFFFAOYSA-N 361.466 5.958 0 40 FKAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1cccc(OC(F)F)c1 36390617 JYBDVYNJTGAAMR-VIFPVBQESA-N 360.187 5.086 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(F)(F)F 40945160 JVUFMAMDYYDLHK-CYBMUJFWSA-N 365.395 5.409 0 40 FKAB COc1cc(Br)c2oc(-c3ccc(C)c(Cl)c3)nc2c1 45920284 IBEINCLKPKFTOT-UHFFFAOYSA-N 352.615 5.228 0 40 FKAB Cc1ccccc1-c1csc2c(=O)n(Cc3cccc(Cl)c3)cnc12 48985693 PUXUCXOEZVQSNL-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB Cc1ccc(C(C)C)cc1OCCCn1c(-c2ccco2)nc2ccccc21 76556441 VJKHLLUAEFROHF-UHFFFAOYSA-N 374.484 6.197 0 40 FKAB Clc1ccc(OCc2ccccc2Cl)c(CNc2ccccc2)c1 107039358 BBZKTGGFSCONQL-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CCc1cccc(C)c1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219460905 HGROTGBKBNYHPN-UHFFFAOYSA-N 372.468 5.090 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2O1 223200044 VSGBMZYOVFVXFM-FQEVSTJZSA-N 351.490 5.045 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C 223455710 XBWGOZZZPOGMPW-OAQYLSRUSA-N 371.524 6.011 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885673 NQOGWKFCLMUSEW-OAHLLOKOSA-N 373.758 5.035 0 40 FKAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225088008 VZQRXUSVQVIZOY-KRWDZBQOSA-N 367.272 5.366 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1Cl 225352584 USUIULXTOZHLHJ-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C 225361657 GSZKUUFDPFEYNI-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB O=C(NCc1cccc2ccccc12)c1cc(-c2ccc(Cl)cc2)on1 225898555 XKIJLZFSMPEVCP-UHFFFAOYSA-N 362.816 5.078 0 40 FKAB COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(N)c1 226347323 WMDXXRIVBDMCRK-UHFFFAOYSA-N 367.257 5.051 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Cl)c2)cc1 226356415 CFPZUPDCRQWWSL-UHFFFAOYSA-N 369.804 5.113 0 40 FKAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc(Cl)c(Cl)c1 408824173 PYILIYCAIVZGAL-UHFFFAOYSA-N 353.230 5.271 0 40 FKAB COc1ccc(NC(=O)c2ccccc2SCCC(F)=C(F)F)cc1 1394194 BJAPGNAQIPWYMJ-UHFFFAOYSA-N 367.392 5.507 0 40 FKAB CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)[C@@H]2CC=CCC2)cc1 1719869 PQWHISPSOTUKEL-GOSISDBHSA-N 364.441 5.025 0 40 FKAB CC[C@H](C)n1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2405324 VKUUGJYYWIBNDZ-NSHDSACASA-N 371.271 5.924 0 40 FKAB Clc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 2618054 NSJLMHBTGVJCRK-UHFFFAOYSA-N 371.849 5.042 0 40 FKAB CCOC(=O)CCn1nc(-c2ccc(C)cc2)c(C)c1-c1ccc(C)cc1 2733456 WZFMAVUYDWXTRV-UHFFFAOYSA-N 362.473 5.096 0 40 FKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc(Cl)c1 2961390 PJJFMTGNPBKOKI-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CC1=Nc2ccccc2Oc2c1c(=O)n(-c1ccccc1)c1ccccc21 3844347 APHLHIYMCOXTBH-UHFFFAOYSA-N 352.393 5.237 0 40 FKAB biogenic CCOc1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 4331339 BHYISEWMFNLOMS-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB Cn1c(-c2ccc(F)cc2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 4678267 SQOQLKLTOZTAJT-UHFFFAOYSA-N 367.427 5.813 0 40 FKAB Cc1sc2nc([C@@H](C)Oc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1C 5171628 XVJBEQWDWYMIGG-MRVPVSSYSA-N 369.273 5.048 0 40 FKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1ccccc1 5305849 ZSLJQUSTXZEMIQ-UHFFFAOYSA-N 357.434 5.181 0 40 FKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)c1 5434906 BJZOPPMYOYBWMD-HNNXBMFYSA-N 352.459 5.025 0 40 FKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 5527234 FMPLLJBQVTYARG-XVNBXDOJSA-N 356.636 5.307 0 40 FKAB Clc1ccc2nc(-c3cc4ccccc4o3)cc(-c3ccccc3)c2c1 5589931 LYNVAVDLCFLTPQ-UHFFFAOYSA-N 355.824 6.968 0 40 FKAB C[C@@H](O)c1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1 7540771 YEKNIETZMJGCAY-LRYXAPPNSA-N 351.490 5.058 0 40 FKAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cccc3ccccc23)c1 9277453 YYFGXFBEKLOHQI-UHFFFAOYSA-N 374.509 5.202 0 40 FKAB CN(c1ccccc1)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 14068754 PFKSUVYRLSUQLB-HSZRJFAPSA-N 369.468 5.183 0 40 FKAB Cc1cc(C)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(C)c1 15016768 VAJNDEPIEXFDML-AUSIDOKSSA-N 374.509 5.916 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 20459823 PJMMBSWVQRXGHX-UGSOOPFHSA-N 363.910 5.097 0 40 FKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccccc2s1 21595905 UBEPEYVZYUVZCO-UHFFFAOYSA-N 368.502 5.390 0 40 FKAB CCc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1 32716526 YZSRNWCZNINTJU-UHFFFAOYSA-N 350.506 5.266 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1C 38756575 VJGOXPKWZMVTKG-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc(C)c1Cl 40913185 BHOZSOWSEJZKPZ-INIZCTEOSA-N 359.897 5.795 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(Br)cc2F)c1 71761370 NMRRIXIDTLDSDS-UHFFFAOYSA-N 371.300 5.119 0 40 FKAB Fc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 82086894 XIIZDRWIRQHTNR-UHFFFAOYSA-N 370.396 5.655 0 40 FKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1Br 95917300 DMIVMGVDUNTDMK-UHFFFAOYSA-N 353.215 5.472 0 40 FKAB Clc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101166888 QRAXSQDCVMQGOW-FPOVZHCZSA-N 359.860 5.836 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=O)CCSCc1ccccc1)CC(C)(C)O2 218998728 DBPPIDXVIUYWHJ-LJQANCHMSA-N 369.530 5.037 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1C 219047336 RSXDBVLKTRYNJB-PGRDOPGGSA-N 361.485 5.491 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 219331619 YTLGJGOVZFPYSA-FCHUYYIVSA-N 353.506 5.345 0 40 FKAB Cc1cccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219770390 DPZDFQZFWDTLBG-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB CCCc1ccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 224020902 WXOIGDRYMFZQIT-UHFFFAOYSA-N 373.452 5.347 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225298203 LUFXHEHDFCBBMU-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1 225378755 CQMCKZHLRJGVKW-IBGZPJMESA-N 364.316 5.810 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2c(F)cccc2F)cc1 225499571 IUTWSDRGUZMWRC-KRWDZBQOSA-N 364.461 5.047 0 40 FKAB CC[C@@H](CNC(=S)Nc1ccc(OC(C)C)cc1)Cc1ccccc1 225632943 YSUNJLOKZHUCBV-QGZVFWFLSA-N 356.535 5.029 0 40 FKAB CCSc1ccccc1C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225722704 ZFAVMFKGEIFNSF-SFHVURJKSA-N 369.530 5.611 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 253504940 NIXXKMPUWREKQR-QAEIPIRZSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408622354 PTPCTJJNXLQKNF-UHFFFAOYSA-N 365.791 6.145 0 40 FKAB O=C(NCCc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 644908 CZEMRTMQJQJGCQ-UHFFFAOYSA-N 360.240 5.226 0 40 FKAB CC(C)(C)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 1332825 NBHHNZSNMLHRHK-UHFFFAOYSA-N 363.486 5.808 0 40 FKAB O=S1(=O)CC[C@H](Sc2cc(Cl)ccc2Cl)c2ccsc21 1398514 VXOUSHNKVNMKFR-NSHDSACASA-N 365.328 5.066 0 40 FKAB O=C1CCN(C(=O)c2ccc(Cl)cc2Cl)c2cc3ccccc3cc21 1514154 PUNGDISUTMEBIM-UHFFFAOYSA-N 370.235 5.380 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccs1 1518319 JBNFABYTLNIHAM-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB CCCCOc1ccccc1Nc1c(C(=O)OCC)cnc2ccccc12 1777757 ZOAYBAWNUFTGDE-UHFFFAOYSA-N 364.445 5.334 0 40 FKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1 2368967 QKDGJKKMLXBNEU-UHFFFAOYSA-N 371.440 5.574 0 40 FKAB Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 2521570 BTOCFTAWZMMTNB-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(C3CCCCC3)cc2)cc1 2570947 CYEUSDQKXVPRST-SFQUDFHCSA-N 361.529 6.585 0 40 FKAB Cc1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1 3234349 BSRDJYUYUDMHBI-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 3314389 FNPVBUNFUJBZLF-UHFFFAOYSA-N 361.832 5.065 0 40 FKAB Cc1ccc(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1 3440672 GKCYSKLBXNEFMU-ZEQRLZLVSA-N 370.496 5.342 0 40 FKAB C[C@H]1SC2(CCCCC2)N(c2ccc(Oc3ccccc3)cc2)C1=O 3619032 GUESMEZHBBRROU-MRXNPFEDSA-N 353.487 5.608 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1 3898506 RPVXYFAJMFTJKE-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB Cc1nc2ccc3nc(Nc4nc5c(F)cccc5s4)sc3c2s1 4137668 INGYEINVMSGBSO-UHFFFAOYSA-N 372.475 5.707 0 40 FKAB Cc1sc(NC(=O)c2ccccc2F)c(CN2CCCC[C@@H]2C)c1C 4539797 NGHZYYOSKFCOBC-ZDUSSCGKSA-N 360.498 5.131 0 40 FKAB Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1F 4690295 IZGWGYHGOJLFQI-PXNSSMCTSA-N 368.408 5.269 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Oc2ccccc2)cc1 5185887 UORKNMICHFKTBX-UHFFFAOYSA-N 365.432 5.983 0 40 FKAB Cc1ccc(C)c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)c1 5895583 FOYUOMPSDPBLRR-UHFFFAOYSA-N 360.526 5.703 0 40 FKAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 6316612 VGPIYBZBKJDLOD-UHFFFAOYSA-N 351.471 5.278 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 6348805 NRZFULUBIDHLFX-UHFFFAOYSA-N 374.484 5.337 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccco2)N3)C1 6396170 APMNTGVKHXITMK-PXPBSWCZSA-N 370.518 5.652 0 40 FKAB O=[P@]1(c2ccccc2)OCC2=C(c3ccccc3)CC2=C1c1ccccc1 6574901 OYEHBSHWVGZDLZ-HHHXNRCGSA-N 370.388 5.889 0 40 FKAB CCCOc1ccc(CNc2ccc(Cl)cc2)cc1Br 6941775 NWARFBJQWVVGHE-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCc2sccc2[C@H]1c1ccccc1 8115250 YZLRWDJSEFLGOM-OAQYLSRUSA-N 359.450 5.282 0 40 FKAB COc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1Cl 8163523 SYKKPGRVGIOGCW-UHFFFAOYSA-N 361.681 5.464 0 40 FKAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)c1 12555146 KWQQDXYJANMVAP-GGAORHGYSA-N 374.415 5.077 0 40 FKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 12618900 LRIAXVYPBZCZBR-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB C/C(=N\NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3C4=C(CC[C@@H]32)C(C)(C)CC4)C1 13408745 IYDBAKSZTCQSKT-RHSDGIDESA-N 369.553 5.310 0 40 FKAB CN(c1ccccc1)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 14068757 PFKSUVYRLSUQLB-QHCPKHFHSA-N 369.468 5.183 0 40 FKAB O=C(Nc1cccc(Br)c1)c1cccc2c(Cl)cccc12 14258229 XZDHBKRJPADVTI-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 17075910 BBBXBZCGRAEFBO-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CC(C)Oc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1 19450949 UUCLUOYKZWYDGU-GOSISDBHSA-N 358.532 5.065 0 40 FKAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20457357 MQVVZLJRRKHTTA-UHFFFAOYSA-N 367.470 5.403 0 40 FKAB Cc1ccc(OCc2nc(-c3cccs3)oc2C)c2c1[C@H](C)CC2=O 24037150 PYFOQNNULSMKIC-GFCCVEGCSA-N 353.443 5.289 0 40 FKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1-c1ccccc1 24926035 VUAXVNKSRAMPEK-UHFFFAOYSA-N 374.465 5.560 0 40 FKAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(-c2ccccc2)cs1 32597914 CPKQKGVAOXXTBD-QGZVFWFLSA-N 372.902 5.242 0 40 FKAB Cc1nc(SCc2noc(-c3ccsc3)n2)n(C2CCCC2)c1C 32908194 AWNBVKJUFWTJPC-UHFFFAOYSA-N 360.508 5.019 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cc(C)cc(C)c3)s2)cc1 36107974 PEHSZSKFPSCFEE-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 44900256 FGECQKNKQOQRDU-QHCPKHFHSA-N 361.510 5.383 0 40 FKAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc2ccn(Cc3ccccc3)c2c1 49543436 FFKJSMANWYJMJT-UHFFFAOYSA-N 365.436 5.423 0 40 FKAB biogenic CN(C(=O)Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(Cl)n1 91695009 FOBPOOATMKSMHL-UHFFFAOYSA-N 364.154 5.076 0 40 FKAB Cc1cc(C)c(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c(C)c1 219460385 OXXDECQDTDWZLI-UHFFFAOYSA-N 372.468 5.144 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)ccc1OC 222913870 QCYYQNHLAPJSGB-IBGZPJMESA-N 355.478 5.097 0 40 FKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(C(C)C)cc1 225359993 OXTUWJNIXQWODL-UHFFFAOYSA-N 358.576 5.338 0 40 FKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225505244 QXJDPJXXZXHZDQ-LJQANCHMSA-N 365.517 5.931 0 40 FKAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225840046 DINRTEOZBCACOX-KSFYIVLOSA-N 357.494 5.551 0 40 FKAB Cc1cc(C)c2[nH]c(-c3cccc(-c4nc5cc(C)cc(C)c5[nH]4)c3)nc2c1 226237279 CYEKVLKTLKQKLP-UHFFFAOYSA-N 366.468 6.007 0 40 FKAB O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245377220 IZWQCYGTDFVOLL-IXRFVVGDSA-N 358.696 5.135 0 40 FKAB aggregator CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 409120005 SBKOJCUUFFGEFW-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1cccc(NC(=O)COc2cccc(CNc3cccc(C)c3C)c2)c1 409255852 LKEPLHBSHVBJMO-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB Cc1ccnc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 509272068 GEIMIEUKOSAFSD-UHFFFAOYSA-N 370.374 5.006 0 40 FKAB C[C@H](C(=O)NCCC1=CCCCC1)c1cccc(C(=O)c2ccccc2)c1 682947 ZERPSVOQQGFLCD-SFHVURJKSA-N 361.485 5.028 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)/C(Br)=C/c1ccccc1 955786 XVUUHBIXKMJXJV-NSIKDUERSA-N 371.061 5.368 0 40 FKAB Cc1ccc(C)c(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 1222370 KEGGMCDVTSLOLJ-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB CCO[C@@H]1c2c(C)ccc(NC(=O)Nc3ccc(Cl)cc3)c2OC1(C)C 3131359 DCRKZMVDIUUFCX-GOSISDBHSA-N 374.868 5.541 0 40 FKAB CC[C@@H]1CN=C(N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2C)S1 3228273 XAPIBGUXMJCHQH-QGZVFWFLSA-N 372.921 5.485 0 40 FKAB Cc1ccc(NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1 4700480 CXCRSTZINJWGJB-UHFFFAOYSA-N 358.441 5.079 0 40 FKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccncc4)nc32)cc1 4739173 MQKBQNVFJHQZHC-UHFFFAOYSA-N 368.362 5.118 0 40 FKAB CCCc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1CCC2 5156839 PYLXBZZVGKTFAM-UHFFFAOYSA-N 374.513 5.293 0 40 FKAB C[C@H](Cc1ccccc1)NCCC1c2ccccc2Sc2ccccc21 6036855 OSXOGVJHQHLKFO-GOSISDBHSA-N 359.538 5.894 0 40 FKAB in-man O=C(Nc1ccccc1Oc1ccccc1)c1cccc(C(F)(F)F)c1 6307101 KSKXMIWFTJTQEY-UHFFFAOYSA-N 357.331 5.750 0 40 FKAB COc1cc(/C=C/C(=O)Nc2ccc3ccccc3c2)ccc1OC(F)F 6887058 FNNBOIXGXHHABS-YRNVUSSQSA-N 369.367 5.102 0 40 FKAB CN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 7700172 UMQHKIXOLOVFPA-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)oc2ccc(Cl)cc12 7781919 LVOHYTGKKYCXSU-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB O[C@H](CN(C1CCCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 8615457 CROCJYHTHUTVOA-HXUWFJFHSA-N 370.364 5.994 0 40 FKAB Cc1c2c(nc3cc4c(cc13)OCO4)-c1ccccc1O[C@@H]2c1ccccc1 12565814 AAWKABDMLLKVBW-XMMPIXPASA-N 367.404 5.421 0 40 FKAB c1ccc2nc(-c3cnc4ccccc4c3-c3c[nH]c4ccccc34)ccc2c1 18199873 URWHXMJZLRQNEU-UHFFFAOYSA-N 371.443 6.598 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 20047880 VFMRFLAZKJDETI-DVECYGJZSA-N 373.496 5.231 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 20105794 ZMOOOPRPEOGFFH-YFZSMNHSSA-N 363.501 5.082 0 40 FKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)O)C1 20333662 OEFUSNBYAQUARV-GFCCVEGCSA-N 371.502 5.121 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccccc1)c1ccccc1 20493755 XGXSLKDUISRNPD-SGXRDAIWSA-N 353.465 5.421 0 40 FKAB Cc1cccnc1N(Cc1cccs1)C(=O)Nc1cccc(Cl)c1 21149619 RHRCJGONJLANEP-UHFFFAOYSA-N 357.866 5.344 0 40 FKAB Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1N1CCCC1=O 21597498 WDOCGJFMIXEYLX-UHFFFAOYSA-N 370.452 5.041 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 32508820 XPTJIWDFGAVZKJ-UHFFFAOYSA-N 352.409 5.184 0 40 FKAB COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33562120 RAEVJWCABIVQLE-UMWKZLPKSA-N 359.425 5.065 0 40 FKAB COC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127261 ZSRCVFZQBNJENC-UHFFFAOYSA-N 370.619 5.171 0 40 FKAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccccc3F)o2)o1 48303735 MWKWMPFFRKKRTF-CZUORRHYSA-N 353.393 5.074 0 40 FKAB O=C(CCSc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 59244589 VZAODAMVXGKCKQ-UHFFFAOYSA-N 359.800 5.480 0 40 FKAB COc1cc(OC)c(NC(=S)Nc2cccc(C(C)C)c2)cc1Cl 71760774 BVGZQFMGBMKLHR-UHFFFAOYSA-N 364.898 5.290 0 40 FKAB O=P[C@]1(Cl)C2C[C@@H]3C[C@H](C2)CC1(C12CC4CC(CC(C4)C1)C2)C3 102139085 JIGXGTAKPFISBE-AIEUBGRPSA-N 350.870 6.256 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 223011606 RVBBCJAPEIYTSU-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 225942762 NQEFJPCJVDFJAE-UHFFFAOYSA-N 351.368 5.101 0 40 FKAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)c(Cl)c1 408832195 QGTDYWLTOXJITA-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)c(C)c1 409119284 SOBRHFGAQHAFPV-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 585265496 RKTLCUZXHUHADX-UHFFFAOYSA-N 353.462 5.277 0 40 FKAB COc1cccc(N[C@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 855426 AINKXEPEWPXEIY-JTSKRJEESA-N 372.468 5.287 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 989593 DLTOFXIDIBBGEF-UHFFFAOYSA-N 368.436 5.087 0 40 FKAB CCc1nc(SCC(=O)c2ccc(C)c(C)c2)c2c(C)c(C)sc2n1 1372145 ZPFOWKLFDDFDDT-UHFFFAOYSA-N 370.543 5.462 0 40 FKAB CCCCc1nc2sc3c(NCCC(C)C)ncnc3c2c2c1CCC2 2413894 IMTNGCXLUXTUAL-UHFFFAOYSA-N 368.550 5.529 0 40 FKAB Cc1cccc(-c2noc(-c3cc(-c4ccccc4)nc4ccccc34)n2)c1 2422185 ARTJOLYVLUXWQB-UHFFFAOYSA-N 363.420 5.927 0 40 FKAB CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2562843 GDNCPMQDMBBSRP-HKZQYKGFSA-N 374.521 5.018 0 40 FKAB biogenic CSCc1c(C(=O)N[C@@H]2CCCc3ccccc32)oc2ccccc12 3387805 NUVIZYPXDXAEDS-GOSISDBHSA-N 351.471 5.103 0 40 FKAB CCCCCc1ccc(-c2ccc(-c3ncc(CCCCC)cn3)cc2)cc1 4866081 LLRLSLCCHMELLN-UHFFFAOYSA-N 372.556 7.276 0 40 FKAB CCc1ccc(C2(c3ccc(CC)cc3)SC(=S)c3ccccc32)cc1 5719375 JTRNVOWZEAMNKJ-UHFFFAOYSA-N 374.574 6.526 0 40 FKAB CCCCC(=O)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 6263956 MTVGYZQDSPTYRG-OAHLLOKOSA-N 350.462 6.137 0 40 FKAB Cn1c(=O)c2c(-c3ccncc3)c(Nc3ccccc3)oc2c2ccccc21 6672257 UHMFBCKLERDWMI-UHFFFAOYSA-N 367.408 5.090 0 40 FKAB Cc1cccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 6860492 RFSZESIDBWVOND-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB Clc1ccc(CCNc2nc(-c3cccs3)nc3ccccc23)cc1 6872553 GOENXYXIPSHIDL-UHFFFAOYSA-N 365.889 5.666 0 40 FKAB COc1ccc(CCNCc2ccc(-c3cccc(Cl)c3C)o2)cc1 7539107 HYRWEPBECBKFEL-UHFFFAOYSA-N 355.865 5.249 0 40 FKAB CCCN(CCC)Cc1c(C)nc2ccc(Oc3ccccc3)cc2c1O 8572597 WHYXLUPMTTZOKG-UHFFFAOYSA-N 364.489 5.663 0 40 FKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063274 BESPTEQFIDAQEJ-UHFFFAOYSA-N 370.924 5.314 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 10338535 VKSKBVWBWWCEPU-UHFFFAOYSA-N 371.524 5.823 0 40 FKAB O=C(NCCCCOc1ccc(Cl)cc1)c1cccc(Cl)c1Cl 11084691 TWCRMVSGIPOXNY-UHFFFAOYSA-N 372.679 5.236 0 40 FKAB Cc1ccc(C)c(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]2)c1 13284541 LOBQLJQIATZWOW-UHFFFAOYSA-N 352.481 6.644 0 40 FKAB Cc1nn(CC(C)C)c2sc(C(=O)N3c4ccccc4CC[C@H]3C)cc12 14169192 HUSCSJMOCITRIA-CQSZACIVSA-N 367.518 5.044 0 40 FKAB Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N2C[C@@H](C)C[C@@H](C)C2)c1C 17970217 GWEPPLDEGBEBBB-OKILXGFUSA-N 368.912 5.149 0 40 FKAB COc1ccc(-c2c[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 26424370 LCEOOODOHODZHL-UHFFFAOYSA-N 350.365 5.229 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 30850697 XCOYSKVMMINOTC-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 30856088 RSEONDDEHYSCIL-SJORKVTESA-N 369.505 5.028 0 40 FKAB Cc1sc2c(c1-c1ccc(Cl)cc1)c(=O)nc1n2Cc2ccccc2-1 36611903 VLJZWIQUJIVUMD-UHFFFAOYSA-N 364.857 5.116 0 40 FKAB CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(C)cc1 44085556 DRIMYISGGHJPJV-UHFFFAOYSA-N 373.319 5.722 0 40 FKAB CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215462 TUIWVBDCQBWSPC-LJQANCHMSA-N 373.541 5.311 0 40 FKAB CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215794 KQASWKJKSQNHSO-IBGZPJMESA-N 367.493 5.312 0 40 FKAB CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2cc(C)sc2C)cs1 72294563 MUWPUQHRUIDKPW-FQEVSTJZSA-N 370.543 5.544 0 40 FKAB O=C(Cc1c(F)cccc1Cl)N(Cc1c(F)cccc1Cl)C1CC1 84339021 AEOHNEHDFHEPIF-UHFFFAOYSA-N 370.226 5.005 0 40 FKAB BrC1(c2cccc3ccccc23)c2ccccc2-c2ccccc21 90470015 XAUSBDSEEKGDSE-UHFFFAOYSA-N 371.277 6.507 0 40 FKAB Fc1ccc(CN2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)cc1 96100176 DKZXKWJKCPKJMQ-UHFFFAOYSA-N 372.487 5.368 0 40 FKAB CCCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC 106995541 FFOQGGNIPOTKPP-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC3(SCCS3)[C@@H]12 119393522 XNXDXWRARMMNIA-JWLCQNFESA-N 350.637 6.596 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(C)cc1 222930918 QJLDMZSZAXAQRD-JOCHJYFZSA-N 367.533 5.199 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969565 BEZWOFIORYCWAL-YWZLYKJASA-N 371.908 5.254 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223106954 GJUHJIBUGJAGOF-XZOQPEGZSA-N 365.517 5.299 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 224969950 XGUZPPCJYBBBLT-UHFFFAOYSA-N 354.519 5.430 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1Cl 225667644 OPBGKHMJMQJOGV-MGPUTAFESA-N 367.917 5.443 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225733757 VDOBJFOVHVDFNB-HSZRJFAPSA-N 369.505 5.436 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@H]1C 257349873 SABPQGKCDGUYAI-IKUGDHPESA-N 374.609 6.994 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)cc1 408580454 PRLSQPCMGKAWHC-UHFFFAOYSA-N 352.459 5.078 0 40 FKAB Cc1cccc(C(=O)Oc2cccc(OC(=O)c3cccc(C)c3)c2C)c1 704463 XXPYGPQQFIPIDQ-UHFFFAOYSA-N 360.409 5.050 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3ccccc3Cl)sc2c1 784466 JORIHLDJPMRJEW-UHFFFAOYSA-N 352.242 5.469 0 40 FKAB Cc1cc(OCC(O)COc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 1718669 FNYAMHVEMAPASS-UHFFFAOYSA-N 369.288 5.046 0 40 FKAB Clc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1Cl 2237972 FRBTYZRJRCDNRA-UHFFFAOYSA-N 367.239 5.742 0 40 FKAB CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc2ccccc2c1 2255364 SZAFFOSQJHCEHX-UHFFFAOYSA-N 353.531 5.852 0 40 FKAB CCOc1ccccc1NC(=O)CCCSc1nc2ccccc2s1 2618650 GOVHFRUEPJGJRS-UHFFFAOYSA-N 372.515 5.206 0 40 FKAB COc1ccc(C(=O)CCCCCCC(=O)c2ccc(OC)cc2)cc1 3068333 HFJPNEPEHBTOCC-UHFFFAOYSA-N 354.446 5.110 0 40 FKAB biogenic Cc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21 3655973 XDTOVFMYTDHZCX-UHFFFAOYSA-N 359.425 5.243 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccccc1)c1ccccc1 3846319 XWATVSSARMZAFX-OUJCMCIWSA-N 364.529 6.017 0 40 FKAB biogenic CCCC[C@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 4289954 POFXFTVXJUYYRI-GFKHSOBKSA-N 365.561 6.046 0 40 FKAB CCCCCC1CCC([C@@H]2CCc3nc(-c4cccs4)ccc3C2)CC1 4599536 QZGSYXZNKVHEIS-SOAGJPPSSA-N 367.602 7.302 0 40 FKAB Cc1cc2nnc(SCc3nc4ccccc4s3)n2c2ccccc12 4843452 XBUSMRJJCJDRJK-UHFFFAOYSA-N 362.483 5.093 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 5032761 WQCWUDPYKPHTQA-UHFFFAOYSA-N 371.820 5.163 0 40 FKAB Cc1ccc(-c2coc3cc4oc(=O)c(-c5ccccc5)cc4cc23)cc1 5235618 GUXULBQRDLDZHX-UHFFFAOYSA-N 352.389 6.182 0 40 FKAB Clc1cccc(CSc2nnc(Cc3cccs3)n2C2CC2)c1 5359951 KUYOEWBWVCONRP-UHFFFAOYSA-N 361.923 5.211 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 5602373 WAOBGFCVVZXVFP-UHFFFAOYSA-N 364.876 5.684 0 40 FKAB CCc1ccc(C(=O)COc2c(C)cc(Br)cc2Cl)cc1 5752515 FGYWEYJDQZHDIM-UHFFFAOYSA-N 367.670 5.235 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)Cc2ccsc2)cc1 6583047 FGQOUZTUYHVSQJ-UHFFFAOYSA-N 353.443 5.120 0 40 FKAB c1ccc(-c2cc3c(NCCCNC4CCCCC4)ncnc3s2)cc1 6600110 WGPBUHKBJYHNJO-UHFFFAOYSA-N 366.534 5.083 0 40 FKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)cc1 6747488 PSDWGUDQTZOXOQ-UHFFFAOYSA-N 365.448 5.559 0 40 FKAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc12 10187556 ADCIKNLGGXFMKJ-UHFFFAOYSA-N 365.502 5.113 0 40 FKAB CCc1ccc([C@@H](NC(=O)Nc2ccccc2OC)c2cccs2)cc1 13000457 RIXNMFKCMSNWML-HXUWFJFHSA-N 366.486 5.230 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 13672799 IMGRVBFTWYOMHC-UHFFFAOYSA-N 357.453 5.927 0 40 FKAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 14254351 CVZGQBGVFRFOMH-UHFFFAOYSA-N 370.496 5.207 0 40 FKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 14254959 OHUURTRPXSALJI-UHFFFAOYSA-N 358.290 5.092 0 40 FKAB CCOc1ccc(NC(=O)c2oc3cc(C)ccc3c2C)c2cccnc12 32622599 KFKFHDLIQJILDT-UHFFFAOYSA-N 360.413 5.249 0 40 FKAB CCc1cc(Br)c2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 73639714 GJMCYVGVRBWIDM-UHFFFAOYSA-N 358.279 6.117 0 40 FKAB Cc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c(C)c1 96194101 RKMAYWZWDDKCAM-UHFFFAOYSA-N 360.442 5.191 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 101310561 HZSVNSHDFDKZCS-QRWLVFNGSA-N 358.869 5.036 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc(C)c(C)c2)cc1 222955971 DDQOIKFHRWEKEN-QFIPXVFZSA-N 353.506 5.148 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 222997225 ZISGOUPFEWDPCU-FCHUYYIVSA-N 353.506 5.364 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1Cl 225667668 OPBGKHMJMQJOGV-YWZLYKJASA-N 367.917 5.443 0 40 FKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1ccccc1 409110476 CJVOEHTWTHAWKY-UHFFFAOYSA-N 361.485 5.839 0 40 FKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 409190273 REFDZPSJAHZXSD-UHFFFAOYSA-N 361.466 5.859 0 40 FKAB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(Cl)(Cl)Cl 575358248 OXOWZTNLXISLFK-UHFFFAOYSA-N 365.590 5.097 0 40 FKAB Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1Cl 1776004586 UZWLQLDVTUDOLL-UHFFFAOYSA-N 364.681 5.064 0 40 FKAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 726717 HMFUGRRDDFEBEV-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 809024 VIBRBYPSTSJQAY-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CCc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C)cc2c1 881293 NRTSWFLQUXZAEM-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB COC(=O)c1cccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 939369 FQOCJZOCJNQIGO-UHFFFAOYSA-N 374.371 5.015 0 40 FKAB CCCCCCC1(/C=C/c2ccc(Cl)c(Cl)c2)OCC(C)(C)CO1 1869797 BNZIKIWRXIXSSB-ZRDIBKRKSA-N 371.348 6.746 0 40 FKAB CCCc1cc(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 2145971 OQSCEHWYLWAENA-UHFFFAOYSA-N 368.432 6.620 0 40 FKAB biogenic CSc1nc(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 2346487 RDKLCXVCYYNGGB-UHFFFAOYSA-N 372.537 6.291 0 40 FKAB Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCC2)CSC3)c1C 3008302 QFQKHFRNQUIFLE-UHFFFAOYSA-N 369.534 5.145 0 40 FKAB Cc1ccc(-c2cc3ccccc3nc2Sc2ccc(Cl)cc2)cc1 3049431 VIMSXJHXXMVJNQ-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB Clc1ccc([C@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3211243 BZGSCMZTEYACIZ-WOJBJXKFSA-N 360.848 5.231 0 40 FKAB CCc1cccc2c(C(=O)COC(=O)C3CCC(C(C)(C)C)CC3)c[nH]c12 3278848 RKXWGBHLWPNERA-UHFFFAOYSA-N 369.505 5.309 0 40 FKAB C[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 3998018 XXNRZZXPXAFYRJ-LJYZBVLISA-N 357.497 5.328 0 40 FKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3cccs3)ccc12 4457530 LIRKZMZJVBKJDK-UHFFFAOYSA-N 370.886 5.491 0 40 FKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)C1CCCCC1 5351675 LYMHHSLPWSRPCR-UHFFFAOYSA-N 365.404 5.118 0 40 FKAB CCN(C/C=C/c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 5845443 MYKJVLTXPNIGOV-MDZDMXLPSA-N 359.985 7.056 0 40 FKAB COc1cc2c(cc1NC(=O)[C@H](C)Nc1ccccc1)oc1ccccc12 5934367 BHMZVOGZDCEQOX-AWEZNQCLSA-N 360.413 5.034 0 40 FKAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 6630969 YOPXXEZHXAXDES-OAHLLOKOSA-N 356.535 5.430 0 40 FKAB COc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 7614243 ASSIVGZPMHHRHO-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB CCc1ccc2oc(-c3cc(NC(=O)c4cccs4)ccc3O)nc2c1 12651625 BXTMDKWYSCFOAL-UHFFFAOYSA-N 364.426 5.077 0 40 FKAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nnc(C3CC3)o2)cc1 14166050 HHERYTKMELZACP-UHFFFAOYSA-N 374.469 5.092 0 40 FKAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 14665415 XVVUAQRFDDRTNZ-ZDUSSCGKSA-N 361.869 5.052 0 40 FKAB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(Cl)c(N)c1 19736706 DPDZPRYITSPGLV-ACJLOTCBSA-N 360.885 5.232 0 40 FKAB Cc1cc(C)cc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)c1 19974129 SAAPNAGMESPSCV-UHFFFAOYSA-N 369.512 5.030 0 40 FKAB Cc1ccc([C@H](NC(=O)COc2ccc(C(C)C)cc2)c2ccccc2)cc1 20051014 LBUMJWQIDNKREL-RUZDIDTESA-N 373.496 5.403 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccccc1Cl 22073102 CCXFUVNVSOFDRY-UHFFFAOYSA-N 351.837 5.348 0 40 FKAB OCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 35662545 QSGHJJHPJNBWGW-UHFFFAOYSA-N 352.044 5.372 0 40 FKAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccccc1N1CCCCCC1 57932341 FTNQIJRLEFAWRZ-UHFFFAOYSA-N 369.513 5.105 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351674 HTBXIPXCRCEZQZ-GCJKJVERSA-N 367.533 5.636 0 40 FKAB COc1ccccc1CN[C@H](c1ccc(F)cc1)c1ccccc1Cl 62422477 HRKBJFFZXCAZIS-OAQYLSRUSA-N 355.840 5.367 0 40 FKAB Cc1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc1-c1ccccc1 95468323 VCUVLGNKPCXOFU-UHFFFAOYSA-N 361.426 5.689 0 40 FKAB Cc1cc2occ(CC(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2cc1C(C)C 103012918 PSGPBLAJFRQSBM-VIPLHTEESA-N 353.506 5.348 0 40 FKAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Cl)nc(Cl)c1 115125740 YYJYBIUKRLKJOI-UHFFFAOYSA-N 363.241 5.065 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 216247390 YKDFIZFRWDWKDH-GOSISDBHSA-N 361.938 5.974 0 40 FKAB CC(C)c1ccccc1OCCNC(=O)c1ccc(-c2ccccc2)cc1 223748486 MNJJDFOXPLHRDW-UHFFFAOYSA-N 359.469 5.286 0 40 FKAB Cc1ccccc1-c1c(C(F)(F)F)nn(-c2ccc(Cl)cc2)c1N 225178317 CVIDBWIRMREFKC-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB Cc1ccc(SCCNC(=O)CCc2c(Cl)cccc2Cl)cc1 225345968 YLYHXTZTXFFVOD-UHFFFAOYSA-N 368.329 5.143 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccccc2Cl)c2ccccc2)c1 225697880 JDUWLIJRMBWPTN-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc2ccccc2s1 408622643 QFHYRGWGGBCYCL-UHFFFAOYSA-N 366.486 5.362 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c1 409110123 RRJHLSKKCPCDAY-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COc1cccc2cc(C(=O)C3CC(C)(c4c(C)cc(C)cc4C)C3)oc12 1104888 CRTFIYKEXBGHJE-UHFFFAOYSA-N 362.469 5.917 0 40 FKAB biogenic CCCc1nc(SCC(=O)c2ccccc2)c2c(C)c(C)sc2n1 1372176 FXFXHYVWBYTIEQ-UHFFFAOYSA-N 356.516 5.236 0 40 FKAB Cc1ccc(N(C(=O)c2cccc(N)c2)c2ccc3ccccc3c2)cc1 1435574 FGZOIRPLSMESBF-UHFFFAOYSA-N 352.437 5.709 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 2059374 UGWVUIFJRWWCOT-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(C3SCCS3)cc2)cc1 2534591 DLOREGOUYCOXIW-UHFFFAOYSA-N 358.528 5.682 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 2590334 AMJFHYVOMKTXLM-FMIVXFBMSA-N 374.406 5.348 0 40 FKAB Cc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1 2684463 DMMFPJQWLCEQFO-UHFFFAOYSA-N 357.457 5.027 0 40 FKAB CCN(Cn1nc(Nc2ccccc2F)sc1=S)C1CCCCC1 3345422 QSTANXUCFLTJPK-UHFFFAOYSA-N 366.531 5.169 0 40 FKAB CCCCN(CCC)CCCCCCCCCN1CCCc2ccccc21 4366806 RTCKAQJIICVMPU-UHFFFAOYSA-N 372.641 6.682 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc2ccccc12 4903233 BZMRMJFDGUBPLJ-UHFFFAOYSA-N 353.421 5.524 0 40 FKAB CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(-c3ccccc3)cc1)=NO2 5500174 HQGUCSYWCVEBFZ-RUZDIDTESA-N 368.480 5.602 0 40 FKAB Cc1ccc(/C=C(\Cl)c2nc(O)c3ccc(C(F)(F)F)cc3n2)s1 5902133 QYEXWLVALVNBAH-GHXNOFRVSA-N 370.783 5.461 0 40 FKAB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)c1C 6968424 ZQINWMTVCLBNQZ-KGENOOAVSA-N 356.469 5.228 0 40 FKAB CC(C)CCNc1nc(C(=O)OCc2c(Cl)cccc2Cl)cs1 8039522 NTHYANVKFMOZSH-UHFFFAOYSA-N 373.305 5.265 0 40 FKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 8273613 IZTQQHRWONMLCN-UHFFFAOYSA-N 361.489 5.003 0 40 FKAB c1ccc(Cc2nnc(SCc3ccccc3Oc3ccccc3)o2)cc1 8312240 FAIMIFMBHKGSGE-UHFFFAOYSA-N 374.465 5.745 0 40 FKAB CC[C@H]1c2ccsc2CCN1c1nc(-c2cccnc2)nc2ccccc12 8324340 VPJSRZSXBLFLHM-IBGZPJMESA-N 372.497 5.267 0 40 FKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 10331889 HSQZWXZNRBWTIY-UHFFFAOYSA-N 357.453 5.467 0 40 FKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccccc2)c1 12564153 VVNVYWQBLNMKNV-UHFFFAOYSA-N 370.496 6.095 0 40 FKAB Cc1ccc(NC(=O)NCC(=O)c2ccc(C3CCCCC3)cc2)cc1 13018882 GKAYBZYQFIKHMA-UHFFFAOYSA-N 350.462 5.047 0 40 FKAB Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccc(Cl)cc1 13220280 IGIAYWXMEXEKNP-UHFFFAOYSA-N 358.879 5.047 0 40 FKAB CCCC(=O)Nc1ccc(C(=O)CSc2ccc(F)c(Cl)c2)cc1 14679818 PAWCMQIXXUYLJN-UHFFFAOYSA-N 365.857 5.193 0 40 FKAB Cc1ccc(CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 16842896 JUALLGSVTOYNOH-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB CN(C(=O)c1cccc(COc2ccc3ccccc3c2)c1)c1ccccc1 17075430 IRJLMPVDYAQRFR-UHFFFAOYSA-N 367.448 5.695 0 40 FKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CC1CCCCC1 17121225 MIQCALFFZACWHE-UHFFFAOYSA-N 365.502 5.576 0 40 FKAB O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccc(F)cc1)C1CC1 18090542 FAHLNSIAAAJGPY-UHFFFAOYSA-N 359.444 5.149 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)s1 19598350 GFOYTZFVBARVSA-UHFFFAOYSA-N 361.466 5.229 0 40 FKAB CCN1[C@H]2Oc3ccc4ccccc4c3[C@@H]1Oc1ccc3ccccc3c12 19857405 KJRFUKZQUIVQNI-ZEQRLZLVSA-N 353.421 5.797 0 40 FKAB Cc1cccc(/C=C/C2=Nc3ccccc3C(=O)[C@@H]2c2ccccc2Cl)c1 26503824 RORUUIIIZOOVPA-YAOQVBECSA-N 371.867 6.414 0 40 FKAB Cc1ccc2sc(SCC(=O)N(c3ccccc3)C(C)C)nc2c1 27546495 WZSLFYJDEUMFOH-UHFFFAOYSA-N 356.516 5.138 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38856677 OZBUSZQXHQJJEA-SFHVURJKSA-N 370.924 5.314 0 40 FKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 40485403 HDWAKLHVTJIKKM-JOCHJYFZSA-N 373.427 5.187 0 40 FKAB Cc1ccc(C)c(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)c1 69384060 SBRAFHHZFCAWFC-OAQYLSRUSA-N 364.514 5.000 0 40 FKAB CC(C)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215522 UQHAISRZXFJCTR-LJQANCHMSA-N 373.541 5.311 0 40 FKAB Cc1ccc(-c2nc(SCc3ccccc3)c(-c3ccccc3)s2)cc1 94992803 PJVCCZBDCLHUNF-UHFFFAOYSA-N 373.546 7.078 0 40 FKAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(O)CSCc1cccc(Oc2ccccc2)c1 100098079 CULVDJPYQHYKQJ-PWHSHALESA-N 368.542 5.899 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H]4C(F)(F)[C@@]45C=CCC[C@]5(C)[C@H]3CC[C@@]21C 118936517 SGMJHXMWTPRENE-QAQGGTBJSA-N 364.476 5.372 0 40 FKAB CC1=C(C)[C@@H](SCc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 199414365 PIZGHKHKHILCHF-GAJHUEQPSA-N 365.542 5.446 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 216304398 YEYWLJDRYPKZRS-HSZRJFAPSA-N 357.497 5.812 0 40 FKAB O=C(c1ccc(Cl)s1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219323964 QAAOYVORISVCQV-CYBMUJFWSA-N 373.877 5.000 0 40 FKAB Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 221634637 PNSIJLCEWIRTNX-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(Cl)cc1 224155681 XTOUGHYSBRIBTP-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1-c1ccccc1 225518981 ITDJZEQZILBMOB-GOSISDBHSA-N 371.480 5.638 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535488 LCQSKBKUCIPIEN-UHFFFAOYSA-N 365.517 5.933 0 40 FKAB Cc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225840977 ORTOAGRVFJEHMU-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408623888 UUWFLOLGQYQIKP-UHFFFAOYSA-N 371.786 5.500 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(-c2ccc3ccccc3c2)s1 586564577 KHFVAVVOYVKEQD-UHFFFAOYSA-N 371.505 6.944 0 40 FKAB Cc1ccc(OC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 642752 WCRMNZYHDADWPR-SNVBAGLBSA-N 359.636 5.328 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1OCC 936396 WQOZDZCOZFNKBM-DHZHZOJOSA-N 359.853 5.098 0 40 FKAB CN(C)CCC[C@]1(c2ccccc2)SC(C)(C)c2ccc(Cl)cc21 1745348 GTGALXALPOFVHS-OAQYLSRUSA-N 359.966 5.907 0 40 FKAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 1807981 OXVKDYWKNBFVSJ-VGOFMYFVSA-N 351.446 5.029 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 2241341 QBRKDCZMMNAHFA-UHFFFAOYSA-N 366.844 6.511 0 40 FKAB CCOC(=O)c1c(C)n(-c2ccccc2C)c2c1cc(O)c1ccccc12 2278517 RNFYUHJVGWYVNL-UHFFFAOYSA-N 359.425 5.283 0 40 FKAB CCCCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2392640 DSVMJLMTUSVCEG-UHFFFAOYSA-N 356.535 5.711 0 40 FKAB CCOC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 2530990 RQXAEHUFPQJLDD-UHFFFAOYSA-N 362.425 5.021 0 40 FKAB CC[C@H](C)c1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3401076 XZNDABRERMAJQY-CABCVRRESA-N 370.514 5.426 0 40 FKAB COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4377762 IOLLDEUCCRXJPD-VWNXMTODSA-N 354.453 5.223 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccco2)N3)C1 4545732 APMNTGVKHXITMK-XPLVDZNXSA-N 370.518 5.652 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c(C)c1 4906085 RNTBYENJZLYFPV-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CCOc1ccccc1 5235827 QUMYDBFAFPXMRM-GOSISDBHSA-N 358.441 5.255 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3Cl)sc2c1 5619199 ZTQRVCCMQYJJPD-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB Cc1cc2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc2cc1Cl 6826368 KOLKIPDLZXHCNV-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCCC2)cc1 7275508 MEWLGYHBTASSGB-UHFFFAOYSA-N 370.880 5.010 0 40 FKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(Cl)c1Cl 7778652 AKNBLKDWEKQLFX-UHFFFAOYSA-N 364.228 5.287 0 40 FKAB O=C(NC1CC1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 7913694 VUYWCQDVZLEUQM-INIZCTEOSA-N 352.286 5.105 0 40 FKAB CCOc1ccc(N(C(=O)CC(C)(C)C)c2nc3ccccc3s2)cc1 7986316 ZPYASHTVJAQRJY-UHFFFAOYSA-N 368.502 5.796 0 40 FKAB C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 9711252 IQFVXQYCQBTRNE-LBPRGKRZSA-N 362.351 5.012 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cccc(C(F)(F)F)c1 9718188 JBRKQTORAKNOJL-UHFFFAOYSA-N 361.319 5.026 0 40 FKAB CCSc1ccccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 11690025 PBPXYQLMHDAOHK-UHFFFAOYSA-N 374.465 5.859 0 40 FKAB O=C1[C@H](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1C12CC3CC(CC(C3)C1)C2 12363026 WUYQWHVQVHYWPK-KULXHPKPSA-N 352.562 6.015 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1cccs1 12862429 JZWUVARUMJFHPA-IFXJQAMLSA-N 371.889 5.075 0 40 FKAB Cc1cc(C)cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 12872368 XTGKKYFGGMRTMV-LJQANCHMSA-N 353.512 5.214 0 40 FKAB Cc1ccc(-n2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)cc1 13960470 IDKOWXJWOYSEPW-UHFFFAOYSA-N 352.481 6.440 0 40 FKAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccccc2Cl)o1 15881550 BDPJXCIWNKWYCN-UHFFFAOYSA-N 351.837 5.516 0 40 FKAB Cc1ccc2onc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 19910228 SAFWXQSXWBDUAO-UHFFFAOYSA-N 358.397 5.110 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccccc1 20486024 XNDMKNRYYVNRSU-PGRDOPGGSA-N 361.485 5.511 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579021 VHPIZLZNQTVORL-UHFFFAOYSA-N 372.424 5.318 0 40 FKAB COCc1c(C(=O)N(C)[C@@H](C)c2cccs2)sc2cccc(F)c12 24236624 QWLUVAZWCHQALS-NSHDSACASA-N 363.479 5.082 0 40 FKAB COc1ccc(C(=O)N(Cc2cccc3ccccc23)c2ccccn2)cc1 27662772 OECQXDWYAMQFHH-UHFFFAOYSA-N 368.436 5.090 0 40 FKAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(F)cc2F)cc1C 29405859 VYEXMTGIJBXXNV-UHFFFAOYSA-N 365.379 5.065 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 33374180 VSVORUIMESBOHI-PTUXOGIPSA-N 355.566 6.056 0 40 FKAB CC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 37991490 ZTCIQXQJTLBGPU-UHFFFAOYSA-N 368.658 5.142 0 40 FKAB CC(C)(C)n1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C1CC1 40134928 AIJRSJTWUZVEQL-UHFFFAOYSA-N 352.265 5.075 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1 41157614 ISBKLMCCFMBHLK-KRWDZBQOSA-N 362.473 5.381 0 40 FKAB O=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 53944025 PXCKANMIVJNZHI-UHFFFAOYSA-N 372.399 5.070 0 40 FKAB Cc1nc(C)c(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)s1 58700985 JQEMGWGOFVSKJP-NSHDSACASA-N 368.424 5.145 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@@H]1[C@@H]2CC[C@H]2CCCC[C@@]21C 68562524 CJZNZDGODWVLOM-PQHLUEJDSA-N 358.569 7.222 0 40 FKAB biogenic CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(C(C)(C)C)cc3)C2=C(O)C1 102645521 MKWWRGOFQGIZNA-HSZRJFAPSA-N 374.528 6.856 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118923787 QIKNIWLZQDIZOC-QTECUETRSA-N 366.633 7.970 0 40 FKAB biogenic CC(C)(c1ccccc1)c1cc(C=O)c(O)c(C(C)(C)c2ccccc2)c1 143807922 PTVMRODARZXYPS-UHFFFAOYSA-N 358.481 5.857 0 40 FKAB Cc1cc2c(cc1C)N(C(=O)C(C)(C)Br)C(C)(C)C[C@@H]2C 223238835 DBQIOBSYUQJGHO-ZDUSSCGKSA-N 352.316 5.096 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2C)c(C)c1 225599685 ZQWXPGPTXUOYME-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C 225665337 PVLHCNVQFWVGQV-HTAPYJJXSA-N 361.526 5.488 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1 225735021 NIEKAPPMIOBGRE-KNQAVFIVSA-N 367.533 5.770 0 40 FKAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC[C@@H](C)C1 225810198 GWDCAOKPOUTWSZ-HXOBKFHXSA-N 369.505 5.408 0 40 FKAB Cn1c(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)nc2ccccc21 226786323 QMOVVLMGXOXZSY-UHFFFAOYSA-N 369.855 6.109 0 40 FKAB Fc1cccc(COc2ccccc2CNc2ccc(F)c(Cl)c2)c1 408609855 PDRJTTMSWGURGE-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB COc1ccc(-c2[nH]c(=Nc3cc(Cl)ccc3Cl)sc2C)cc1 409047599 OWNHHOHQYGMJDI-UHFFFAOYSA-N 365.285 5.599 0 40 FKAB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)c2ccccc21 409114550 HGAFHMPKSPZUCS-KQWNVCNZSA-N 369.464 5.481 0 40 FKAB CC(C)Oc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409348325 SLNHQXIRDCDMNA-LICLKQGHSA-N 373.861 5.368 0 40 FKAB O=C(NCc1cc(-c2ccco2)cs1)C1(c2cccs2)CCCC1 1775969164 ZQWIITQJSBSRQY-UHFFFAOYSA-N 357.500 5.198 0 40 FKAB FC(F)(F)c1cc(Nc2nc3ccccc3s2)cc(C(F)(F)F)c1 2155325 BGAWJTUICRGKLP-UHFFFAOYSA-N 362.298 6.078 0 40 FKAB COc1ccc([C@H](CCN[C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 2447695 DHVFCGXMEZIXNM-HRAATJIYSA-N 369.505 5.769 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 3247940 MMBFYACQPPBGSW-INIZCTEOSA-N 367.489 5.293 0 40 FKAB CCCn1c(NC(=O)c2sc3ccccc3c2Cl)nc2ccccc21 3384668 GILLTRYPSPMUQJ-UHFFFAOYSA-N 369.877 5.567 0 40 FKAB CCCCC(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1 4880984 BJFAQRKWPPHEST-UHFFFAOYSA-N 351.903 5.038 0 40 FKAB CCc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(F)cc23)cc1 4970273 FPURYSTYWASQPY-UHFFFAOYSA-N 367.427 5.942 0 40 FKAB CCOc1ccccc1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002067 IOKJACMSNJYCRT-UHFFFAOYSA-N 358.397 5.146 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)c1 5533799 DRSPVCXBVVVLIJ-KKPKCPPISA-N 356.506 5.659 0 40 FKAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1Cl)N2 6045478 MSLRJSCPYNQFKI-RMXLQIEMSA-N 353.849 5.335 0 40 FKAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Oc2ccccc2)cc1 6528133 JPFGUZFRXZOBGQ-UHFFFAOYSA-N 361.485 5.425 0 40 FKAB C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N1CCCc2ccccc21 6585297 DZBNACOQUNXXRG-INIZCTEOSA-N 371.436 5.333 0 40 FKAB CSCc1c(C(=O)Nc2ccccc2N2CCCC2)oc2ccccc12 6608156 VBRVSXKVNNBHDE-UHFFFAOYSA-N 366.486 5.148 0 40 FKAB COc1ccc(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 7669012 YMMCDPPYHJRVPA-UHFFFAOYSA-N 355.478 5.132 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 8041344 NXKQSZWLMYABJA-UHFFFAOYSA-N 371.502 5.396 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 9064347 FTJRZOSQNCVCBU-UHFFFAOYSA-N 352.865 5.592 0 40 FKAB COc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3ccc(C)cc3)C2)c1 9485591 WHANCDUSEJTZAG-FQEVSTJZSA-N 363.486 5.124 0 40 FKAB COc1cccc(NC(=O)[C@H](Oc2ccccc2Cl)c2ccccc2)c1 11298531 ZBWVSFSPKGBNTK-HXUWFJFHSA-N 367.832 5.107 0 40 FKAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccsc1)CC(O)=N2 13570874 OMGOAGWRKRBRDZ-ZDUSSCGKSA-N 357.866 5.328 0 40 FKAB CN(Cc1ccco1)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 14057642 YISTTZHAHRLHGQ-UHFFFAOYSA-N 374.465 5.342 0 40 FKAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 17120931 YVRWTRPMZGOSOU-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20137600 WTFPLZZIINWGAD-UHFFFAOYSA-N 352.217 5.067 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 22527606 QPYGTSQKGCKTQP-CYBMUJFWSA-N 351.368 5.235 0 40 FKAB Cc1cccc(C)c1NC(=O)CSCc1ccc(Cl)c(Cl)c1 22921307 WPKJUUFAYDBISN-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB Cc1ccc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)c(C)c1 24754617 BBUIIKSNGDMYFE-INIZCTEOSA-N 353.516 5.001 0 40 FKAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F 26905725 ANBFTGXAJIYVGG-FQEVSTJZSA-N 369.386 5.419 0 40 FKAB CCOP(=O)(OCC)[C@@H](NC1CCCCC1)c1ccc(Cl)cc1 65090431 HXEANZFZHCQFHA-QGZVFWFLSA-N 359.834 5.527 0 40 FKAB COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1F 71325885 XXSXFKINQOYSQU-UHFFFAOYSA-N 368.433 5.436 0 40 FKAB O=C(NCc1ccc(Cl)cc1)NCc1ccccc1-c1ccsc1 96122947 NFKVMMGDHAYPKW-UHFFFAOYSA-N 356.878 5.068 0 40 FKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Nc2ccccc2)cc1 100341637 SJXYKDOQWPMIBK-FCQUAONHSA-N 373.481 5.333 0 40 FKAB C[C@@]12CC3CC(CC(=O)NCC45CC6CC(CC(C6)C4)C5)(C1)C[C@@](C)(C3)C2 103520412 YNNLROITLYFBAR-HDOKBKFLSA-N 369.593 5.706 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1Cl 111894581 ICHRRNVRWXQBBC-NSHDSACASA-N 356.224 5.155 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(C)cc1C 219321945 FLENRKMUEVYWJD-RTBURBONSA-N 359.897 5.382 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 223032707 RXCKMEYUDHCIAK-NHCUHLMSSA-N 373.924 5.690 0 40 FKAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225754750 PRBKYTSFBPVSLD-MRXNPFEDSA-N 354.519 5.364 0 40 FKAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225840063 DINRTEOZBCACOX-ZHRRBRCNSA-N 357.494 5.551 0 40 FKAB CCOc1cccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225862225 JFESQVRHIBTZKU-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc(Cl)cc2)o1 408624519 XOGVHAFWQYPCFA-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB CC(=O)c1ccc2c(c1)N(c1ccc(N(C)C)cc1)c1ccccc1S2 1857794333 HBWVNMQWZBEBJV-UHFFFAOYSA-N 360.482 5.890 0 40 FKAB CC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 853530 HFNZQPXFIMUVNT-UHFFFAOYSA-N 364.253 5.663 0 40 FKAB Cc1ccc2cc3c(N)c(-c4nnc(-c5ccccc5)o4)sc3nc2c1 906835 AXFFTBNCUIZTMH-UHFFFAOYSA-N 358.426 5.057 0 40 FKAB CC[C@@H](C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)o2)cc1 934714 HUYAFORNPXEXGE-OAHLLOKOSA-N 371.436 6.374 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 1401654 VNVUTYNVYQQBPE-UHFFFAOYSA-N 369.399 5.202 0 40 FKAB aggregator O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2ccccc2)s1 1453237 UJVDLBPCTVXPEZ-BUHFOSPRSA-N 370.477 5.539 0 40 FKAB COc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)c(Cl)cc1C 1741809 IENSCMMWOCQNHA-UHFFFAOYSA-N 359.640 5.608 0 40 FKAB Clc1ccc(Cl)c(CSc2nc3ccccc3s2)c1Cl 1771974 MUKBCOSHXROEDT-UHFFFAOYSA-N 360.718 6.549 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(F)cc3)c3c(C)cc(C)cc3o2)cc1 1791692 HAJRXAYPXPFSLC-YYADALCUSA-N 373.427 6.097 0 40 FKAB Cc1ccc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 2403582 PPQXPTGHXYKDST-HXUWFJFHSA-N 366.438 5.878 0 40 FKAB Cc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655352 ZTHKVMSGOXPVTF-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccccc2)(c2ccccc2OC)CCO1 4111107 ZDVSWFOKMBUCNJ-BJKOFHAPSA-N 367.533 5.092 0 40 FKAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 7094723 SMDICVBIPOXTEK-UHFFFAOYSA-N 368.889 5.728 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Cl 9141832 SNVVNTLXTNNGGX-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)C1CC1 12989325 PIWLNTGEBKMMHU-GUYCJALGSA-N 364.876 5.266 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20454250 BCXHQMBBDNSCEZ-PGRDOPGGSA-N 367.533 5.655 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 20493281 TWJXKDSGEKTDRS-OAHLLOKOSA-N 374.720 6.156 0 40 FKAB Fc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)c(Cl)c1 24040426 JHAHOMAEBFPMAZ-UHFFFAOYSA-N 351.768 5.277 0 40 FKAB CSc1nc(NCc2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 28580464 HOHZWTZCLUNLHC-UHFFFAOYSA-N 366.877 5.003 0 40 FKAB O=C(NCc1ccccc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29506282 NALVZVYBBPGMAN-UHFFFAOYSA-N 372.399 5.078 0 40 FKAB C[C@H]1CCc2nc(NC(=O)CCc3ccc(-c4ccccc4)o3)sc2C1 32721414 YOJCDNTXMYPEDG-AWEZNQCLSA-N 366.486 5.099 0 40 FKAB O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc(F)c(F)c1 35590718 UFVDRTUNXPSKPF-UHFFFAOYSA-N 372.421 5.555 0 40 FKAB CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72213448 HFZPQSYLGOYNSS-FXAWDEMLSA-N 367.493 5.156 0 40 FKAB CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215562 XYGPFMWRWDBZSU-IBGZPJMESA-N 373.541 5.311 0 40 FKAB c1ccc(CSc2nc(-c3cccs3)sc2-c2ccccc2)cc1 80346121 LYDCNGJAUXBLMB-UHFFFAOYSA-N 365.548 6.831 0 40 FKAB Cc1csc([C@@H](NCc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)n1 95995972 KGEORFWDTNJTHN-KRWDZBQOSA-N 359.882 5.001 0 40 FKAB Cc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 216571371 WCLAJKQEWYQUPJ-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1C 223441008 SLGCMEOZCJCFJB-IBGZPJMESA-N 350.506 5.093 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(OC(C)C)c1 223890738 OWVAECWGKUOWDD-JOCHJYFZSA-N 367.489 5.149 0 40 FKAB CCOC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1 225493650 BEWXZXCIBOCBSB-UHFFFAOYSA-N 364.470 5.340 0 40 FKAB CCOc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225660351 YIXCAXJNDDJXID-INIZCTEOSA-N 356.535 5.128 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225676986 VNDUPYPRUDXDSH-GOSISDBHSA-N 354.519 5.201 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CC2)c2ccccc12 225940281 KYBUCMDYEGPLSO-UHFFFAOYSA-N 359.469 5.545 0 40 FKAB O=C1[C@H]2CCCC[C@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 229959126 OFAKSWDVJNOYBN-LWYYNNOASA-N 374.311 5.755 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 408544977 KORXXJGAXZSFRF-DTQAZKPQSA-N 359.494 5.939 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3cccc4ccccc34)cc2)c(C)s1 408581427 WMINWXMTNURGTC-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(F)cc1 409114885 QYFGDGFGWRMNEL-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB Cc1cccc(NC(=O)COc2cccc(CNc3cc(C)ccc3C)c2)c1 409259403 ZGPLRHAMRWMGLZ-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB CCc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccco3)c3ccccc32)cc1 689283 SNEORTOFJWPCCX-RUZDIDTESA-N 373.496 5.977 0 40 FKAB Oc1ccccc1C1=Nc2ccccc2S[C@@H](c2ccccc2Cl)C1 984781 FATKUJNJICQVEG-OAQYLSRUSA-N 365.885 6.404 0 40 FKAB O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2ccccc2)cc1 1107243 JUJJOZJLXXIABG-UHFFFAOYSA-N 370.477 5.719 0 40 FKAB CCCC1CCC(c2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)CC1 3584831 HZTVUODKVLPRKL-UHFFFAOYSA-N 360.501 6.786 0 40 FKAB C[C@@H](NCC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 4028854 RWXOIELWFZDPDK-AGILITTLSA-N 365.561 5.791 0 40 FKAB COc1ccc(CNCC[C@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)cc1 4085675 LAKDINKJQJHSDQ-SFTDATJTSA-N 361.570 5.433 0 40 FKAB biogenic c1ccc([C@H]2[C@@H](c3ccccc3)O[C@H](c3ccco3)N2c2ccccc2)cc1 4661583 OINGAVBNLZRPHH-ISJGIBHGSA-N 367.448 6.298 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 5006630 ZUSJHABRYPFZGL-UHFFFAOYSA-N 364.923 5.040 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 6123920 SOSCNLWRAKWEJI-LBPRGKRZSA-N 374.918 5.583 0 40 FKAB CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2Cl)n1 6144829 VQHUIOWJBFOQLT-UHFFFAOYSA-N 371.893 5.202 0 40 FKAB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc([C@H](C)CC)cc1 6489147 JAEKZFZDVOSJNR-HGICYOSUSA-N 351.490 5.489 0 40 FKAB CCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 7260999 XLJSDMRCVMQYAZ-UHFFFAOYSA-N 366.332 6.242 0 40 FKAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(Cl)sc1Cl 12622185 AFVXQMGRNHKTPR-SNVBAGLBSA-N 362.278 5.161 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccccc2Cl)o1 27974212 CCAKAOWSRWGOOD-CQSZACIVSA-N 367.832 5.103 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1OC 30857108 XVHRYHQDOODDBA-INIZCTEOSA-N 370.301 5.511 0 40 FKAB CC(C)c1ccc(-c2nc(C(=O)N(C)Cc3cccs3)cs2)cc1 31347907 PFLLPOLBCUKXNL-UHFFFAOYSA-N 356.516 5.267 0 40 FKAB O=C(c1cc(Cl)ccc1Cl)N(Cc1ccc2cc[nH]c2c1)C1CC1 32095435 DNPPLFQPBRYICS-UHFFFAOYSA-N 359.256 5.280 0 40 FKAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3c(C)cccc3CC)c12 40128162 ULYQUMJBEWTNTJ-UHFFFAOYSA-N 363.461 5.176 0 40 FKAB Cc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 40485501 BCKVLRTUJFDINM-QFIPXVFZSA-N 373.427 5.187 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1cccc(Br)c1 44781694 CKJVQFVRZQYODN-UHFFFAOYSA-N 365.230 5.336 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)C1(c2cccc(Cl)c2)CCC1 48263030 UGDPEKZGQKLITN-UHFFFAOYSA-N 368.889 5.524 0 40 FKAB Oc1ccc(CCNCc2cc3sccc3n2CC2CCCCC2)cc1 57719504 FNKZUZMKASUVKE-UHFFFAOYSA-N 368.546 5.321 0 40 FKAB CC(C)(C)c1ccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)cc1 62018142 UEMIXOVFOCRJON-UHFFFAOYSA-N 363.461 5.206 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(Cl)cc3)C2=C(O)C1 100654194 OFMUMLMIAVJVSV-HXUWFJFHSA-N 352.865 6.211 0 40 FKAB Clc1cccc(COc2ccc3ccccc3c2CNc2ccccc2)c1 107029079 OZDPZBQNQJXNKW-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB CC(C)(C)c1cc(C(C)(C)C)c(I)c(C(C)(C)C)c1 111338903 NUTILFZRWFXEOL-UHFFFAOYSA-N 372.334 6.184 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222922416 NFKADRBPJGMLCD-JOCHJYFZSA-N 367.533 6.123 0 40 FKAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C 222954859 QAFARXUPIBCBJX-RUZDIDTESA-N 373.496 5.150 0 40 FKAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)CCCC2 222995068 DHNZNYVLOWCLBQ-QGZVFWFLSA-N 365.517 5.119 0 40 FKAB CC(C)(C)c1ccc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225090856 GQBUNLPXAQHZES-KRWDZBQOSA-N 367.272 5.366 0 40 FKAB Nc1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(C(=O)O)c1 225323844 CNXRZYXLWMCTDY-UHFFFAOYSA-N 354.793 5.156 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccccc3F)CCCC2)c1 225851193 NAPCGKOMKQLTPA-UHFFFAOYSA-N 356.510 5.366 0 40 FKAB Oc1nc(-c2ccc(-c3ccccc3Br)o2)nc2ccccc12 253536429 QKZVWNDVKPLKRF-UHFFFAOYSA-N 367.202 5.025 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)c1ccccc1 253595635 GUFISKMWHBUYOH-TWZUMTFOSA-N 352.562 6.307 0 40 FKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccco2)C1=O 408819233 ZYISGXUYERQRQD-OXVMSYBYSA-N 367.494 5.334 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 409174121 SCMIGTCLUHNQGW-LBPRGKRZSA-N 354.302 5.099 0 40 FKAB Oc1nc(-c2cc[nH]c2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 541174691 OFTYWODIZGQXNX-UHFFFAOYSA-N 355.319 5.016 0 40 FKAB Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 692489 VQMBJGCLHWMKOU-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)cc1 859881 AFZWNEQKBBQDCG-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB COc1ccc([C@@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc1 948859 VNBAFHJYKHOBJM-HXUWFJFHSA-N 372.873 6.048 0 40 FKAB CC[C@@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1cc2c(cc1Cl)OCO2 1652182 DHABYFASWXICCE-JCKWVBRZSA-N 364.869 5.301 0 40 FKAB O=C(Nc1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1882219 JZDKONJILZSGGV-UHFFFAOYSA-N 369.462 6.206 0 40 FKAB COc1ccc(C2=CC(Cl)=C(c3cccs3)Oc3ccccc32)cc1 2441430 SUEJCAXIRXRMMU-UHFFFAOYSA-N 366.869 6.188 0 40 FKAB O=C(COc1ccccc1F)N1c2ccccc2Sc2ccccc21 3209125 NONZLJNKANZHHF-UHFFFAOYSA-N 351.402 5.034 0 40 FKAB c1ccc(-c2[nH]c3ccccc3c2[C@@H](c2ccccn2)N2CCCC2)cc1 4139994 ARLOHHNBCXKXDE-XMMPIXPASA-N 353.469 5.415 0 40 FKAB Cc1ccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)cc1 4171464 PYWBWFJXSCPEAE-NTCAYCPXSA-N 358.872 6.217 0 40 FKAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 4309446 WELADDDGUMBQMG-HSZRJFAPSA-N 372.468 5.590 0 40 FKAB Cc1ccc(C(=O)N2CC[C@@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1 4318340 FRSWBIPUVISLPB-FUDKSRODSA-N 367.920 5.750 0 40 FKAB OC(c1ccccc1)(c1ccccc1)c1nc2cc3ccccc3cc2[nH]1 4876894 AAHVVYGBOWYQEI-UHFFFAOYSA-N 350.421 5.000 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1ccc(F)cc1 5001945 KUQWQBQZTXYEIG-UHFFFAOYSA-N 372.399 5.324 0 40 FKAB CC(C)Oc1ccccc1/C=C(\CC(=O)O)c1nc2ccccc2s1 5858976 QIBUPJYJYNFVEA-RVDMUPIBSA-N 353.443 5.099 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)c1sc2cc(F)ccc2c1Cl 6200932 DIVXVBDNJMDMCH-LBPRGKRZSA-N 361.869 5.445 0 40 FKAB CN1C(=S)/C(=C/c2ccc(Cl)cc2)c2cc(Br)ccc21 6475777 OIUMYJIAKIRQJP-RIYZIHGNSA-N 364.695 5.420 0 40 FKAB CCOc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc(Cl)c1O 6538647 PHQBFVQBCUUMJR-RMKNXTFCSA-N 371.889 6.047 0 40 FKAB O=Cc1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12 6969761 ZLTGXWWGDIKSGP-UHFFFAOYSA-N 366.617 5.057 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 7072922 JOWVPDKWENLMBY-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)oc12 8960600 GXUQUYFETRYHMH-UHFFFAOYSA-N 371.436 5.284 0 40 FKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 9063163 YMTIWURAYYFPRL-UHFFFAOYSA-N 364.533 5.188 0 40 FKAB CCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 13063053 XFZVSPNPUPEPHP-SFHVURJKSA-N 361.489 5.055 0 40 FKAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)o1 16434545 IQIDXWIAODFCTJ-GUYCJALGSA-N 356.853 5.343 0 40 FKAB Cc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)cc3)c2C)cc1 17075313 CFGCGJACGKFXTO-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB CCCCOc1cccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 19738354 DCFFNRGBEFORFU-QFIPXVFZSA-N 355.478 5.035 0 40 FKAB Cc1ccc(-c2noc(-c3cccnc3N[C@H](C)c3ccccc3)n2)cc1 33004364 ZORRIMYBZUWOCN-MRXNPFEDSA-N 356.429 5.280 0 40 FKAB CCc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 35040464 IDQWXWPBQMYRHY-LFIBNONCSA-N 359.903 5.308 0 40 FKAB Cc1ccn2c(Nc3ccc(C(C)C)cc3)c(-c3ccc(O)cc3)nc2c1 35606490 MSFOIOOHTPOOJN-UHFFFAOYSA-N 357.457 5.882 0 40 FKAB Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)c1 36620779 YCTOVUMQJYVPBE-SFHVURJKSA-N 373.294 5.435 0 40 FKAB Cc1cccc(Cn2cnc3c(-c4cccc(Cl)c4)csc3c2=O)c1 64667749 OTMCEWVFCPXGPU-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)c1 218977502 YVSZWGHFRQOKJV-IBGZPJMESA-N 359.469 5.373 0 40 FKAB Cc1ccccc1OC[C@@H](C)NC(=O)CC(c1ccccc1)c1ccccc1 219129471 IIZKWEOPOQBEOZ-HXUWFJFHSA-N 373.496 5.101 0 40 FKAB CC(C)c1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224597910 AOEZQYBVCISZME-UHFFFAOYSA-N 367.533 5.235 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1C 225301640 KIGXYEKULOBNSH-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB COc1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225698159 SMCQWIGGDBGBQX-NRFANRHFSA-N 362.498 5.080 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 225870603 YMEDNLBSQQKWPC-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB Cc1ccc(SCCC(=O)NCc2ccc(Cl)cc2Cl)cc1 409175342 XNLGWFUORNHEDW-UHFFFAOYSA-N 354.302 5.100 0 40 FKAB Fc1ccc(CO[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@@H]23)c(Cl)c1 2037844050 MBACZQUPVSZMSE-CWJKEVGVSA-N 360.856 5.695 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 682540 PNFVYLAHTQOSRA-SFHVURJKSA-N 357.453 5.277 0 40 FKAB c1ccc(CCN2CC[C@H](COC(c3ccccc3)c3ccccc3)C2)cc1 1672570 UFVNAHDXHDOAGK-QHCPKHFHSA-N 371.524 5.357 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 2053641 LQDKEWNOBPWRAV-UHFFFAOYSA-N 368.436 5.383 0 40 FKAB C1CCc2c(oc3c2CCC[C@@H]3C[C@H]2CCCc3c2oc2c3CCCC2)C1 2099788 WORTVCJWMABZCN-IAGOWNOFSA-N 364.529 6.560 0 40 FKAB biogenic Cc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1F 2215761 PLVIBTJRPNQLDR-UHFFFAOYSA-N 354.388 5.083 0 40 FKAB Cc1cccc(Oc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)c1 2654306 CJCUPXOHNBNLBY-UHFFFAOYSA-N 373.239 5.741 0 40 FKAB COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)C1CCC1 2758583 IYPWWRNZQYHWKE-UHFFFAOYSA-N 365.454 5.094 0 40 FKAB COc1ccc(Sc2ncccc2-c2nc3ccccc3s2)cc1 3134291 DOEURJDQLJOVBR-UHFFFAOYSA-N 350.468 5.518 0 40 FKAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)nc2ccccc12 3254744 MXXNVSHHJRUVJF-UHFFFAOYSA-N 371.421 5.357 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4023205 GFPXAFZFUGVACR-ZEYOQAPRSA-N 357.494 5.269 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)cc1 4070256 OZGFIYDPDPTCMX-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB CCc1ccc(C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)cc1 4182305 UETLJWPRWTWSFX-HSZRJFAPSA-N 360.888 6.580 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccccn2)c(C(C)C)c1 5231082 NJDCLDIWMQPMTN-UHFFFAOYSA-N 360.523 5.253 0 40 FKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccccc3F)oc12 5451785 SLFNWPRLQMDCNV-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB C[C@@H]1CCCCN1C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 5496302 NFNPEPXDYAFWHJ-OAQYLSRUSA-N 369.508 5.422 0 40 FKAB Cc1cc(C)n(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1 5541329 UQXRQTGOOBUWNR-UHFFFAOYSA-N 362.539 5.107 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 5698650 KNTPEGQANNEVAS-UHFFFAOYSA-N 350.487 5.668 0 40 FKAB O=C(N(Cc1ccccc1)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 5900164 CSLLCOZVKIYTEM-UHFFFAOYSA-N 359.513 5.432 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 5987937 ADICYVOYVGBZIP-UHFFFAOYSA-N 357.482 5.535 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)c3ccccc3n2)cc1 6300918 IKFZFVJJNRYDTP-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB CSc1ccc(Cl)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 6587315 SVSSXXBADBFGGT-JSFDKUKPSA-N 363.954 5.397 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2nccs2)cc1 8192343 WVLZLMRPWXKKLN-UHFFFAOYSA-N 373.481 5.156 0 40 FKAB C[C@@]12C=CC[C@H]1[C@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@@H]1CC2 8615877 KHAIFVOAJPIDQL-LCXINAFSSA-N 358.481 5.928 0 40 FKAB Cc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccs2)cc1Cl 9577457 JQDZNLZDOIPSNU-CYBMUJFWSA-N 357.866 5.328 0 40 FKAB Cc1cc(NC(=O)/C=C/c2ccc(CC(C)C)cc2)ccc1Br 12954018 ZFBFDKYZFNGOJZ-DHZHZOJOSA-N 372.306 5.608 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2cscn2)c1 12974576 CJGYUYMGXSVLDK-UHFFFAOYSA-N 366.486 5.406 0 40 FKAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccccc1Cl 14897896 FYIHDZQDBOIEJE-OBIHZWKSSA-N 359.857 5.621 0 40 FKAB Cc1ccc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)cc1C 24755368 PLCNBSOBVSYSCT-INIZCTEOSA-N 353.516 5.001 0 40 FKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Cl 27746983 YEHGHCXFJMVDTB-IBGZPJMESA-N 374.871 5.383 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)NCc3ccc(C)cc3)c2c1 46086133 SUTBUDJVMKBYFU-UHFFFAOYSA-N 351.446 5.159 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(CSc3ccccn3)c2)s1 58111518 OUDRIFZTNDBDSG-UHFFFAOYSA-N 354.500 5.250 0 40 FKAB O=C(CN(Cc1ccccc1)Cc1ccccc1)c1csc2ccccc12 68677067 VXDXCDHTLPBAKK-UHFFFAOYSA-N 371.505 5.786 0 40 FKAB COc1ccc(-c2nc(CSc3cccc(C)c3)cs2)c(OC)c1 72042543 HTMAIVKWQNLAHZ-UHFFFAOYSA-N 357.500 5.428 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1)[C@@H]2O 118916254 LZOCUXGUHLCYSF-CVVRLXPFSA-N 364.573 6.474 0 40 FKAB biogenic CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 222810159 STWSLBUNKWAHGT-UHFFFAOYSA-N 373.452 5.059 0 40 FKAB Cc1cc(O[C@H](C)C(=O)NCc2cccc3ccccc23)cc(C)c1Cl 222858419 VPERZPUQTSUWGG-MRXNPFEDSA-N 367.876 5.194 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NCC3CCCCC3)cc2)cc1 223459424 RQVNNRZQWWELEM-UHFFFAOYSA-N 353.531 5.597 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1 224084975 IVEUMZMCTGIPIO-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCCOCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OCC 224710637 CTOHMSVZSQKRBC-UHFFFAOYSA-N 355.478 5.189 0 40 FKAB CSc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 408622805 RIUOFRYLWSHFJR-UHFFFAOYSA-N 371.483 5.002 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 408629332 XKBIEKCEYPTSIK-INIZCTEOSA-N 372.896 5.045 0 40 FKAB Oc1cc(O)c(-c2cccc(-c3ccc(F)c(Cl)c3)c2)c(Cl)n1 585090179 FFTKWUANMZLOIE-UHFFFAOYSA-N 350.176 5.273 0 40 FKAB c1ccc([C@H]2COC([C@@H]3CCCC[C@H]3C3=N[C@@H](c4ccccc4)CO3)=N2)cc1 1988188072 QDIWAJDLECILSV-GXRSIYKFSA-N 374.484 5.133 0 40 FKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 1382797 NOWBHHKZPDSYKR-UHFFFAOYSA-N 371.358 5.679 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2081958 IYMGIJMAWCEFRY-QFIPXVFZSA-N 361.510 6.030 0 40 FKAB O=c1oc(-c2ccccc2)nc2sc3c(c12)CCCCCCCCCC3 2208973 OANPALDEBAUIMX-UHFFFAOYSA-N 367.514 6.136 0 40 FKAB COc1cc2c(cc1NC(=O)c1cccc3ccccc13)oc1ccccc12 2340906 AUKTXZJJDAWBEF-UHFFFAOYSA-N 367.404 6.000 0 40 FKAB O=C(Nc1ccccc1OC(F)F)c1ccc(Oc2ccccc2)cc1 2660613 HQRHWZPJFKXEGA-UHFFFAOYSA-N 355.340 5.333 0 40 FKAB Cc1ccc(-c2csc(NCc3ccccc3)[n+]2Cc2ccccc2)cc1 2677000 DIPIKFMPADBBFE-UHFFFAOYSA-O 371.529 5.671 0 40 FKAB Clc1cccc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)c1 3063553 CQVOGSQIVQRNPN-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)o1 3904770 YHUCPPGUICXRCA-WIYYLYMNSA-N 364.832 5.484 0 40 FKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@H](OC(C)=O)C[C@H]21 4478067 SGEFBVJZEOLACL-OHUMZHCVSA-N 372.505 5.055 0 40 FKAB Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)[C@H]2C[C@H](C)CCC2=O)cc1 4653886 SMCCYOSSZVQHCK-TYCQWZJGSA-N 368.904 6.010 0 40 FKAB Cc1c(C(C)C)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 5235600 QYVFLRSYIYFLSK-UHFFFAOYSA-N 366.844 6.600 0 40 FKAB CN1c2ccccc2C[C@@H](C(=O)Nc2cccc(Cl)c2)c2ccccc21 5334786 WGMVZEOGYYWTMJ-LJQANCHMSA-N 362.860 5.386 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3F)N=C(O)CCN21 5369590 PWFMBCUUJWSGQF-YUAYGMJFSA-N 350.437 5.002 0 40 FKAB COc1ccc(/N=c2\cc(-c3ccc(SC)cc3)oc3ccccc23)cc1 5452246 UJTHZHCYBCCPRK-DARPEHSRSA-N 373.477 6.063 0 40 FKAB CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cc(Cl)cc(Cl)c1 5632373 QJTDABUAXZDMIX-UHFFFAOYSA-N 372.361 6.006 0 40 FKAB CCCCC1=N[C@H]2Sc3c(ncnc3N(C)CCCC)[C@H]2C2=C1CCC2 6309773 QVLYVYZUDQHCAQ-UTKZUKDTSA-N 370.566 5.354 0 40 FKAB CCCCCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 6398545 UFEYTCYXQPFBOH-SKTWIKFTSA-N 351.490 5.455 0 40 FKAB Cc1ccc(Sc2sc(=O)n(C)c2Sc2ccc(C)cc2)cc1 6721425 WBJVRZFYYUOLNE-UHFFFAOYSA-N 359.541 5.366 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 7790082 WYIGEYBMILLHSJ-JTQLQIEISA-N 356.274 5.121 0 40 FKAB O=C(c1cc2c(ccc3ccccc32)o1)c1cc2c(ccc3ccccc32)o1 8048291 SDDXUXKAUJQQCM-UHFFFAOYSA-N 362.384 6.716 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4C)ccc3o2)cc1 9660025 XWTUSSIHQXRLMO-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB biogenic Cc1ccc(-c2csc(SCc3cn4cc(C)ccc4n3)n2)cc1 14071182 OKJBMJGHTRHLQO-UHFFFAOYSA-N 351.500 5.367 0 40 FKAB Cc1cc(C)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(C)c1 14093041 WFIFXAKHTKUPKH-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccoc1C(F)(F)F 16756803 CWLLTWYAOOWGOI-UHFFFAOYSA-N 357.637 5.223 0 40 FKAB CCc1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1 20197081 SXPIFFSRCDTUKD-UHFFFAOYSA-N 360.482 5.668 0 40 FKAB c1csc([C@H]2c3ccsc3CCN2Cc2nc3ccccc3o2)c1 23955496 DBJAWXZFRWAPEP-LJQANCHMSA-N 352.484 5.099 0 40 FKAB Cc1cc(C)c(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)c(Cl)c1 24673672 YAXRKQRFEBTTGX-QGZVFWFLSA-N 370.924 5.196 0 40 FKAB Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 33040286 WLNHTPKMHWIULY-NRFANRHFSA-N 369.468 5.430 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 44904550 WFSXGMDCCAIFTK-LBPRGKRZSA-N 354.302 5.133 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351580 COIXJHGAOKACTF-UHFFFAOYSA-N 350.643 6.034 0 40 FKAB CC(C)c1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1 57510929 BQSUZCSDFBPHFU-UHFFFAOYSA-N 364.836 5.571 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc[nH]c1=S 65621715 WTLOPEVKQHLUPI-UHFFFAOYSA-N 370.861 5.229 0 40 FKAB CCCCc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760794 GKTFRAGMFDGCEC-UHFFFAOYSA-N 368.424 5.737 0 40 FKAB Cc1ccc(-c2ncco2)cc1NC(=O)c1cc2cccc(Cl)c2o1 89622106 LHJKOPWOTJCRNE-UHFFFAOYSA-N 352.777 5.302 0 40 FKAB O=C(c1cccs1)N1CC[C@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 102424367 MBIDDUUZOZSLPT-XKGZKEIXSA-N 359.922 5.503 0 40 FKAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 169619750 OSTLLWRZYOJDGD-NDUFAUORSA-N 365.542 5.461 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)c1 222689934 XDUIXMQIXRFWDB-INIZCTEOSA-N 361.938 5.707 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223086209 LZAAVXPDZVKMAT-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224282416 XQFKMEIUDKBQFH-QGZVFWFLSA-N 369.505 5.118 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224434545 IPMZWUAENQQZTK-LJQANCHMSA-N 359.425 5.691 0 40 FKAB Cc1ccc(C(=O)NC[C@@H](C)Cc2cccc3ccccc23)c(Cl)c1 225005140 QJGJTUMVBGZVKR-INIZCTEOSA-N 351.877 5.410 0 40 FKAB CC(C)Oc1cccc(CNC(=O)CCc2ccc(Cl)cc2Cl)c1 225376448 YCHHKBDWKFUPOD-UHFFFAOYSA-N 366.288 5.030 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OCC 408527756 CNZIRZWGUDDAHI-UHFFFAOYSA-N 363.457 5.670 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1OCC 408567333 LVEODNPGSMVFOW-FMIVXFBMSA-N 353.462 5.143 0 40 FKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408834219 LEJFJYCQUUHMCG-UHFFFAOYSA-N 363.379 5.430 0 40 FKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Cl)c(O)c(Cl)c1 409100827 WZJYPTWJIFLZJK-KMKOMSMNSA-N 374.145 5.211 0 40 FKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 409114809 QJTBVQXIKAYLHY-UHFFFAOYSA-N 365.904 6.402 0 40 FKAB CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3S[C@@H]2c2ccc(Cl)cc2)C1 409336870 WXRXIYDGTKJONV-VQTJNVASSA-N 369.917 6.265 0 40 FKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)c1 706206 LCVMYWVVPLOTCY-OAQYLSRUSA-N 362.860 5.728 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(OCC)cc1 954336 QCDDDMHMNDLHGR-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(C)ccc1C 1262912 HVZASTHUQOBPCY-VOTSOKGWSA-N 350.245 5.271 0 40 FKAB COc1ccc([C@@H](C)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 1295478 LYEDNWOKJZIYAU-DVECYGJZSA-N 367.533 5.263 0 40 FKAB biogenic COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(F)c1)C(C)(C)N2 1825855 IEDKVRCHSRLULS-UZYVYHOESA-N 372.490 5.517 0 40 FKAB Fc1ccc(-c2cs/c(=N/c3ccccc3)n2C2CCCCC2)cc1 2050941 QPSSCPIPYALEJX-XTQSDGFTSA-N 352.478 6.093 0 40 FKAB Cc1ccc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 2133035 UNKWZCNLMBQUHL-UHFFFAOYSA-N 355.187 5.277 0 40 FKAB biogenic Cc1cccc(OCCC(=O)NCCC(c2ccccc2)c2ccccc2)c1 2653094 IPGKOHMGLFFZRT-UHFFFAOYSA-N 373.496 5.102 0 40 FKAB Brc1ccc(OCCSCc2cccc3ccccc23)cc1 2655097 OOTDHEYCSFJUJG-UHFFFAOYSA-N 373.315 5.915 0 40 FKAB O=C(c1cc(F)c(F)c(F)c1F)N(C1CCCCC1)C1CCCCC1 3166619 XRDVKQJUTUJNBM-UHFFFAOYSA-N 357.391 5.351 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 3470345 VZWVDYGPYZLKBD-UHFFFAOYSA-N 353.874 6.052 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 3603145 IRXNGJUEVZXGBZ-UHFFFAOYSA-N 372.679 5.121 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)c2ccc(F)cc2)C1(C)C 3765607 GXTCOSAATBZAQH-RXVVDRJESA-N 364.464 5.175 0 40 FKAB CC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2cc(C)c(C)cc21 3900880 QHFHFGKNOVIKGI-UHFFFAOYSA-N 354.881 6.191 0 40 FKAB Cc1ccc(CSc2nc(Cl)c3sc4ccccc4c3n2)cc1 4092626 DXCRJOSUMMYACQ-UHFFFAOYSA-N 356.903 6.099 0 40 FKAB Cc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3cccs3)[C@@H]1CO2 4648767 PSPPFAHPWJTIJI-QVKFZJNVSA-N 363.507 6.033 0 40 FKAB CCc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 4678700 NKNAUAKUOGLGAA-UHFFFAOYSA-N 360.288 5.568 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc4ccccc34)o2)cc1 5219762 UAMFYABISTZHHE-UHFFFAOYSA-N 374.509 6.480 0 40 FKAB CN1c2ccccc2C[C@@H](C(=O)Nc2ccccc2Cl)c2ccccc21 5798165 FNBVQUPTYJMRHL-QGZVFWFLSA-N 362.860 5.386 0 40 FKAB CCOC(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 5952871 IAKPFSBIFZZLCL-UHFFFAOYSA-N 362.451 5.296 0 40 FKAB Cc1cc(C)c(NC(=O)COc2c(Cl)cccc2Cl)c(Cl)c1 6918402 OTMGVDORYBSLFQ-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB CCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 7261270 VNMYZEWLSNVMAK-UHFFFAOYSA-N 352.305 5.852 0 40 FKAB COc1ccccc1CC(=O)Nc1ccccc1-c1nc2ccccc2s1 7794024 IAWNZKOCVOOGPD-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB C[C@@H](NC(=S)NCc1cccs1)c1ccc(-c2ccccc2)cc1 7982980 BSTWVOMIBYMHGR-OAHLLOKOSA-N 352.528 5.140 0 40 FKAB OC1CCC(NCc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CC1 8329007 BAYGGIGFRGEGJV-UHFFFAOYSA-N 373.802 5.012 0 40 FKAB O=C(Nc1ccccc1SCc1ccsc1)c1cc2ccccc2o1 9377002 BPAVGEDJYQCUIN-UHFFFAOYSA-N 365.479 6.039 0 40 FKAB CCC(=O)Nc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 10119744 CJGDIFBMXKGIGQ-UHFFFAOYSA-N 373.250 5.168 0 40 FKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(C)cc4)n3)oc12 10747450 UCRIWULOHHKAJC-UHFFFAOYSA-N 364.426 5.126 0 40 FKAB O=C(c1cccs1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185212 LMIVLISQIXQOID-AWEZNQCLSA-N 358.488 5.222 0 40 FKAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl 12676598 KTYUYCLBYJNXIG-PXAZEXFGSA-N 363.288 5.061 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCC2)cc1 12742775 MRKCIUYHZASKEQ-UHFFFAOYSA-N 364.533 5.782 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13994557 ACKYMXAVJQTJTD-NRFANRHFSA-N 361.441 5.583 0 40 FKAB CCCC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccc(F)cc1 14608089 XJMFFFYRDODLAI-FQEVSTJZSA-N 351.425 5.052 0 40 FKAB CCN1CCC[C@@H](N[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 19802442 RONGSPKZYAIJGX-IEBWSBKVSA-N 372.965 5.162 0 40 FKAB CCc1ccc([C@@H](NCc2cc(Br)cs2)C(C)C)cc1 20306508 JXOUQNKFYDXTMX-KRWDZBQOSA-N 352.341 5.560 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 20491744 DDCFWHZJOZIRBD-HXUWFJFHSA-N 373.496 5.285 0 40 FKAB Cc1ccoc1C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 24659391 NHOISXPQXYSUJW-LJQANCHMSA-N 351.471 5.048 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 24838084 VXJAOPRBDQIMJI-KRWDZBQOSA-N 372.468 5.360 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1F 36688998 NJONPIXWNHKOKG-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB Cc1nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2s1 38490529 UYJCGWPAZPPBSA-UHFFFAOYSA-N 351.353 5.268 0 40 FKAB Cc1cc2nc(Nc3nc4c(Cl)c(Cl)ccc4s3)oc2cc1C 57352948 DARIOOOJSBDQFZ-UHFFFAOYSA-N 364.257 6.105 0 40 FKAB CN(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214226 ALOGKLOEWUJDOH-LJQANCHMSA-N 367.493 5.312 0 40 FKAB c1ccc(CN2CCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 72217290 DPHTVSJKGMPQBX-OAQYLSRUSA-N 352.547 5.844 0 40 FKAB FC(F)(F)c1cc(Oc2ncnc3ccsc23)cc(C(F)(F)F)c1 84618372 KJXZNBNHSLDTBO-UHFFFAOYSA-N 364.270 5.521 0 40 FKAB Cc1[nH]c(-c2cc(C)n(-c3ccc(Cl)cc3)c2C)nc1-c1ccccc1 95468293 RIYOQMIUXPACNZ-UHFFFAOYSA-N 361.876 6.113 0 40 FKAB CSc1ccc(/C=C/C(=O)N(Cc2ccsc2)Cc2ccco2)cc1 96120263 YDVBYPWVYBGTPF-RMKNXTFCSA-N 369.511 5.305 0 40 FKAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 219482900 CFCCCZZVFWLILM-OAHLLOKOSA-N 367.832 5.538 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1C 224574479 TWZBIBGIUHKZHU-DEOSSOPVSA-N 373.496 5.530 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)NCCCc1ccc(Cl)cc1 225359012 INMWUVIERWGYDD-UHFFFAOYSA-N 370.707 5.328 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)c(C)c1 225867072 UCIKODGSGXQSOO-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 226254453 FNNYPXVZOJWSPV-MRXNPFEDSA-N 365.521 5.197 0 40 FKAB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 247833986 MRWSXEXBEQFWEL-OSEOCOMQSA-N 367.876 5.643 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 256464532 VYIIGPBTHBMATO-CCIGOFLESA-N 356.506 5.006 0 40 FKAB C[C@@H](NC(=O)c1cccc2c(Cl)cccc12)C12CC3CC(CC(C3)C1)C2 408629364 ZAZJUSHWPDVSQK-KWJFTMPMSA-N 367.920 5.828 0 40 FKAB Cc1cccc(-n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)c1 409098385 PTPDVAKFOLCLLM-UHFFFAOYSA-N 364.301 5.483 0 40 FKAB COc1ccc(-c2n[nH]cc2-c2cc(OCc3ccccc3)ccc2O)cc1 524734860 RPSFTTJCAHRGMO-UHFFFAOYSA-N 372.424 5.037 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccco2)c(C(C)C)c1 705102 OGUNOJJGFWUYSG-UHFFFAOYSA-N 363.523 5.128 0 40 FKAB O=C(Nc1ccc2c(c1NC(=O)c1ccccc1)CCCC2)c1ccccc1 1593191 NAKSFHQJPNISJN-UHFFFAOYSA-N 370.452 5.070 0 40 FKAB O=P(Nc1ccccc1Cl)(Oc1ccccc1)Oc1ccccc1 1863368 KAVGHPYCNORZCR-UHFFFAOYSA-N 359.749 6.018 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2061887 DWDNZUGPDBKBGQ-ZDUSSCGKSA-N 350.289 5.934 0 40 FKAB Cc1ccccc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 2229073 WJUOWQZNJGKCDE-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccncc1 3663230 AXRBPRFXJYYIGK-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB CC(C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 3897674 GDTFGTJTVWEJDK-UHFFFAOYSA-N 356.878 5.839 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)cc1 4306652 GAYCSMRJYXITHU-IBGZPJMESA-N 364.832 5.233 0 40 FKAB Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 4475782 QRPXWDXTUUZUJR-SFHVURJKSA-N 356.853 5.896 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3ccccc3Br)cc2)cs1 4680625 UJMCRZMARLHILU-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5459235 IPWMWDCHILCMCG-CTNGQTDRSA-N 359.860 5.836 0 40 FKAB CC[C@H](C)N(C(=O)CCCC(=O)N([C@H](C)CC)[C@H](C)CC)[C@@H](C)CC 5980725 BKGXIBOYIPJXEY-FNCFJJJESA-N 354.579 5.008 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 6119933 FYGJEIZZTLRYDB-LJQANCHMSA-N 366.486 5.223 0 40 FKAB S=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1Cl 6224510 SCLHVUAJVUWNQQ-UHFFFAOYSA-N 366.100 6.109 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 6966815 XDCIPVLZIMLCNX-UHFFFAOYSA-N 368.889 6.250 0 40 FKAB CCCCN(CC)Cc1c(C)nc2ccc(Oc3ccccc3)cc2c1O 8572571 LGFNDCMFERFCHX-UHFFFAOYSA-N 364.489 5.663 0 40 FKAB CC(C)CCC[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9053285 FFSWBVLUSJARGB-HNNXBMFYSA-N 355.507 5.032 0 40 FKAB CSc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 10252261 OWKSEGLEAIZNRG-UHFFFAOYSA-N 374.918 5.367 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5cccc(C)c5C)(C4)C2)C3)cc1 13302968 UAKGXIBOBWUHHB-JGSRLKPESA-N 373.540 6.089 0 40 FKAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 14129263 LOZQESYVARZCDP-OFAQMXQXSA-N 354.500 5.043 0 40 FKAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(sc3c2CCCC3)N1 15085030 NJBCIUNOCNOJNZ-ZDUSSCGKSA-N 351.393 5.120 0 40 FKAB C[C@@]12CC3CC(CCNC(=O)/C=C/c4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 15906451 ZSRDHKVHSRBCKP-PNFYEVRISA-N 371.952 5.856 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1sc2ccccc2c1Cl 17042663 DEMWNQSRECPJOD-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20456563 LJJAMBMXKWIPMJ-GOSISDBHSA-N 350.506 5.294 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 20456817 ZZBACKVQAOSJKR-SNVBAGLBSA-N 372.679 5.615 0 40 FKAB CC(C)c1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 24830719 FPNUZACFZPEQRT-UHFFFAOYSA-N 370.449 5.237 0 40 FKAB O=C(Nc1ccccc1N1CCCCCC1)c1nc(Cl)ccc1Cl 30991884 PRWPJQHJUJGTGZ-UHFFFAOYSA-N 364.276 5.021 0 40 FKAB CCCCc1ccc2nc(NC(=O)COc3ccc(C)c(C)c3)sc2c1 32119047 SKNNRCNWMKRCPL-UHFFFAOYSA-N 368.502 5.273 0 40 FKAB COc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(C)cn12 35622058 FVXRZTYLRLZLGV-UHFFFAOYSA-N 372.472 5.128 0 40 FKAB Cc1cc(C)c2oc(-c3ccc4nc(-n5nc(C)cc5C)sc4c3)nc2c1 40542375 RVSGVHPZVZKQPA-UHFFFAOYSA-N 374.469 5.524 0 40 FKAB C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127143 VGVTZDFTRYBQKM-AWEZNQCLSA-N 368.864 5.092 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 44846081 UBMDOBJRTATVMO-JOCHJYFZSA-N 355.437 5.789 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(C)cc2)cc1 44903527 ZQERYJQJLHIUKI-OAQYLSRUSA-N 371.546 5.140 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CCC)cn1 72214696 AYTGCTFRUCNTNZ-GOSISDBHSA-N 361.530 5.170 0 40 FKAB Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 73639684 DMVMAZCTNWETQB-UHFFFAOYSA-N 364.242 6.233 0 40 FKAB CCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O 83316995 PKYIODRPCMRZPA-CYVLTUHYSA-N 367.420 5.129 0 40 FKAB CC/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914819 PCFLWNUQAQQXOU-AJUIOGKFSA-N 358.566 6.297 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C 225504825 XRYYLDSXZLJWCW-UHFFFAOYSA-N 351.490 5.480 0 40 FKAB COc1cc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C(C)C 225671190 WUIJCIRZFDGJSB-UHFFFAOYSA-N 365.395 5.076 0 40 FKAB Cc1cccc2c(OCc3ccccc3)cc(NC(=O)OC(C)(C)C)cc12 1857775985 DKNNZNFXEAXOGR-UHFFFAOYSA-N 363.457 6.074 0 40 FKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccs1 1206753 RDSHVTNBRDPRKV-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB Clc1ccc(-c2ccnc(Oc3cc(Cl)ccc3Cl)n2)cc1 1402086 QUUNKZUAIBTVDD-UHFFFAOYSA-N 351.620 5.896 0 40 FKAB C[C@H]([C@@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C 1758886 AWQGSQRZGAHTHE-MZNJEOGPSA-N 371.480 5.034 0 40 FKAB C[C@H](C[C@@H](C)C(c1ccccc1)c1ccccc1)NCCc1ccccc1 1771834 VZZPVBUNJLZTII-FGZHOGPDSA-N 357.541 6.066 0 40 FKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 2185678 ZWPNHPUNUPQKSE-MWTRTKDXSA-N 374.459 6.110 0 40 FKAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1Cc1ccccc1 3322405 QCBZXCQKVJWZSX-UHFFFAOYSA-N 374.465 5.149 0 40 FKAB COc1cccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)c1 4002812 FYQYTSLBXQHOFZ-BUHFOSPRSA-N 374.871 5.917 0 40 FKAB c1ccc(Sc2nnc(-c3ccc4c(c3)CCC4)c3ccccc23)nc1 4054180 SWFLBQFTDMKUHS-UHFFFAOYSA-N 355.466 5.332 0 40 FKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCO[C@@H](C(C)C)C1)Cc1ccccc1 4073120 MSYWYAYYBZLWRC-RPWUZVMVSA-N 373.581 5.683 0 40 FKAB biogenic CC(C)(C)c1ccc2c(c1)[C@@]13CCCC[C@@H]1CCC[C@]3(c1ccccc1)N2 4114304 ZWAUJSNPNCWELO-WGURPXDASA-N 359.557 6.917 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 4250508 DXFGMPHPHPKWNG-UHFFFAOYSA-N 373.481 5.269 0 40 FKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)cc3)c2c1 4610388 GZORWTPKCGRKRW-UHFFFAOYSA-N 366.464 6.025 0 40 FKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 4770894 IWNDSYPUEIWAAI-IFMALSPDSA-N 360.844 5.582 0 40 FKAB CCO[P@](=O)(/C=C(\Cl)c1ccccc1)[C@@H](O)c1ccc(F)cc1 4897834 RLQQPABUYWLQBH-RIKPSNTJSA-N 354.745 5.369 0 40 FKAB Cc1ccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5108284 FMMWOVRYWNUAOY-UHFFFAOYSA-N 370.905 5.053 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1cccnc1)c1ccccc1 5570343 JUTFCESOBKGUSZ-XHBNAHBISA-N 372.449 5.490 0 40 FKAB C[C@H]1CCc2sc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cc2C1 6083379 DUZKSUHSKDKTPP-NSHDSACASA-N 368.329 5.452 0 40 FKAB Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 6184966 QAGZCVXMFQJMQN-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB COc1ccc2oc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2c1 6954285 HVFSEQHJPJSSNW-UHFFFAOYSA-N 358.397 5.437 0 40 FKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 7070385 WSEUCAPJIGRARH-QGZVFWFLSA-N 372.468 5.134 0 40 FKAB C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 7524892 PKGYWWLTMWTNSK-AWEZNQCLSA-N 356.263 5.560 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCc2sccc2[C@H]1c1cccs1 7947515 PXQKQAXIOYCIGZ-IBGZPJMESA-N 365.479 5.344 0 40 FKAB Fc1ccc(-c2cnc(SCc3cc(-c4cccs4)on3)[nH]2)cc1 12507023 KQNDFXSXPLQRLC-UHFFFAOYSA-N 357.435 5.225 0 40 FKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccs1 14062505 XKSAONHUJOUUDX-UHFFFAOYSA-N 370.330 5.626 0 40 FKAB Fc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 16401421 YKPXQTREGRMHOM-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)c(C)c1 17746800 LIGVEIXTMMFXGY-HDICACEKSA-N 372.512 5.637 0 40 FKAB CC(C)c1ccccc1NC(=O)c1cc2cc(Br)ccc2o1 28250100 BDDRJOOHJNVLPN-UHFFFAOYSA-N 358.235 5.571 0 40 FKAB Cc1cc2nc(NC(=O)COc3ccccc3C(C)C)sc2cc1C 28284490 UUEQTYWGMUPTOC-UHFFFAOYSA-N 354.475 5.054 0 40 FKAB Cc1c(-c2csc(C[C@@H](C)n3cc(Cl)cn3)n2)oc2ccccc12 58438637 BJUOJLWABLULBS-LLVKDONJSA-N 357.866 5.518 0 40 FKAB C[C@H](N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 94986218 OHYNAAXWPNIVOJ-NWDGAFQWSA-N 361.329 6.136 0 40 FKAB COC(=O)c1cn(C(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc12 222598165 LUUNLEPCJSYHCJ-UHFFFAOYSA-N 369.376 5.016 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(C)C)cc1 222905777 UDHMMYHMNGIAFS-NRFANRHFSA-N 353.506 5.904 0 40 FKAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)CCC2 223207563 QTWZOXLSSHLHFM-GOSISDBHSA-N 371.480 5.245 0 40 FKAB Cc1cccc(Nc2ccc(NC(=S)NC3CCCCCC3)cn2)c1 224042866 OADRNSPDRRKTNY-UHFFFAOYSA-N 354.523 5.143 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 224505479 RYRSNZSJMOOKCD-GOSISDBHSA-N 367.533 5.672 0 40 FKAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224939073 GYIHCFRISJSCBB-UHFFFAOYSA-N 372.317 5.134 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225502644 IEBLSTLWDKVEPN-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(N)cc1 226303158 BVOUSKLMGSBVQM-UHFFFAOYSA-N 360.501 5.297 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc2c(Cl)cccc12 408622739 RGSOFDUQYKVSJF-UHFFFAOYSA-N 364.876 5.736 0 40 FKAB CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)CSCC(=O)O 521825357 CGVFZPNOGIKIDP-QZTJIDSGSA-N 373.603 5.066 0 40 FKAB O=C(Nc1ccccc1)c1ccc(COc2cccc3ccccc23)cc1 672863 QQLBVZAOURGXOI-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB CC1(C)[C@]2(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC[C@@]1(C)C(=O)C2 702851 KUXPJFCLABRXPP-DLBZAZTESA-N 373.802 5.083 0 40 FKAB CCCC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)C2CCCC2)cc1 1081972 NGALJTCRKDJLLR-JOCHJYFZSA-N 364.489 5.338 0 40 FKAB COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 1254581 PYAHGPXGWIGTCD-UHFFFAOYSA-N 360.388 5.185 0 40 FKAB Clc1ccc(Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 1747405 WRXKYCNKFRDFNB-UHFFFAOYSA-N 369.704 6.438 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)nc1 2628404 NTCKPENBPBFBBM-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB O=c1oc2ccccc2cc1-c1csc(Nc2cccc3ccccc23)n1 3108099 LVHYYYSEQSBDOD-UHFFFAOYSA-N 370.433 5.813 0 40 FKAB O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)c1ccc(Cl)cc1Cl 3165815 XTHOLULPJKNCNL-YVEFUNNKSA-N 352.261 5.118 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccn2)N3)C1 4109062 QUNLENYQBAYERC-PXAZEXFGSA-N 355.507 5.113 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2)N3)C1 4553427 HICKERMMIDSBRU-KXBFYZLASA-N 368.546 6.027 0 40 FKAB CC(C)[C@@]12CC[C@]3(CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]3C1)[C@H](CN)C2 4802663 CFSIKOAGZWBLPX-HUQZIQOKSA-N 361.570 5.085 0 40 FKAB in-vitro COC(=O)c1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 4948064 VKEGVUKLGOBJRW-NTEUORMPSA-N 355.393 5.452 0 40 FKAB Clc1ccc(COc2ccccc2CNCc2ccco2)c(Cl)c1 7523582 SFMAYTKPXZKEMM-UHFFFAOYSA-N 362.256 5.455 0 40 FKAB CCOc1cc(CNC2CCCCCC2)ccc1OCc1cccs1 7523851 MIZPWGDFXAIDBP-UHFFFAOYSA-N 359.535 5.538 0 40 FKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1F 7537843 AXGHLJMIHJGHAT-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB Cc1cccc(Nc2nnc(SCc3ccc(Cl)cc3)s2)c1C 7989138 LSMLJPMNFVBAPL-UHFFFAOYSA-N 361.923 5.844 0 40 FKAB Cc1cc(-c2csc(COc3ccccc3)n2)c(C)n1-c1nccs1 8042354 ORJCURKKLWHLLZ-UHFFFAOYSA-N 367.499 5.253 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2SCC)cc1 8049608 FMDVLTVALPXHBM-UHFFFAOYSA-N 357.475 5.008 0 40 FKAB Cc1cc(O)c2c(c1)C[C@H]1[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 8615951 PAYRXRMDYUKQEC-RMSNXXCASA-N 352.518 5.326 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3ccccc23)c1 9141937 MAQAADNBJKDCLN-UHFFFAOYSA-N 352.821 5.094 0 40 FKAB O=C(CCc1ccccc1Cl)Nc1ccc(OCc2ccccc2)cc1 10458100 DTKOXALVVNQLJM-UHFFFAOYSA-N 365.860 5.490 0 40 FKAB Cc1nn(-c2ccccc2)c(Nc2ccc(Cl)cc2)c1Br 12693584 CWZRAKDHWFHDBR-UHFFFAOYSA-N 362.658 5.340 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 14269004 HOHHMKWMDQDKKA-KRWDZBQOSA-N 352.478 5.105 0 40 FKAB CN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 14604088 YKXVXRWCVAMIKP-UHFFFAOYSA-N 373.481 5.282 0 40 FKAB Cc1cc2cc(CNc3cc(-c4ccccc4)ccc3O)c(=O)[nH]c2cc1C 19126184 HBZGIKDGHSSEAJ-UHFFFAOYSA-N 370.452 5.130 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1Cl 22520839 TUSXNWNBDDVBFR-MRXNPFEDSA-N 372.679 5.121 0 40 FKAB Cc1cc(C)cc(Nc2nc3ccccc3nc2Nc2cc(C)cc(C)c2)c1 32647079 XHKAGKOJCOKLQV-UHFFFAOYSA-N 368.484 6.351 0 40 FKAB Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c(Cl)c1 32958157 BTEYSLDBDNHFDG-UHFFFAOYSA-N 369.848 5.291 0 40 FKAB CCC1(CC)O[C@@H]2c3ccc(Br)cc3C(=O)N2c2ccccc21 35326852 LUPKPSAMZMPYMR-GOSISDBHSA-N 372.262 5.154 0 40 FKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39766652 VAMFVGWYXRLVAT-UHFFFAOYSA-N 370.924 5.314 0 40 FKAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)c(F)c1F 40097395 BMKNITARQSTWMS-UHFFFAOYSA-N 363.166 5.075 0 40 FKAB CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 44087760 VOSQQXHOGKPCDN-UHFFFAOYSA-N 362.420 5.979 0 40 FKAB Nc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)c(Cl)c2s1 45891572 HLGVBNVJPRKKPV-UHFFFAOYSA-N 372.664 5.091 0 40 FKAB Clc1ccc(CSc2n[nH]c(/C=C/c3ccccc3)n2)cc1Cl 58551628 GLIBGXOSJHBPRH-VQHVLOKHSA-N 362.285 5.574 0 40 FKAB CC(=C/c1ccccc1)/C=C(\Cl)c1nc(O)c2cc(Cl)ccc2n1 96310801 CYEQJSAILISKQR-MNXDUIDKSA-N 357.240 5.672 0 40 FKAB Cc1cc(C)c2c(O)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(C)nc2c1 101169838 YQRANECABFFVME-GAJHUEQPSA-N 352.522 5.266 0 40 FKAB CC[C@@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCCC2 223019526 YLJYMFQRAMLHCR-OAQYLSRUSA-N 353.531 5.315 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 223451342 URIVUVKRSJFECD-SFHVURJKSA-N 353.506 5.166 0 40 FKAB CC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)c(C)c1 224983733 MVPZLWGVIOGBRR-QHCPKHFHSA-N 373.496 5.481 0 40 FKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1C 225789874 SAOZLRCENGDQPB-OAHLLOKOSA-N 362.926 5.019 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(Cl)c1Cl 1105732 MULOYJGNNZLBJW-UHFFFAOYSA-N 370.235 6.074 0 40 FKAB Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c1 1244995 XRPHDQZONGIJME-UHFFFAOYSA-N 360.844 5.999 0 40 FKAB O=C(Nc1ccc(Cl)cc1)OCc1cc(-c2ccccc2Cl)on1 1394136 SUYCRSGODVYOCV-UHFFFAOYSA-N 363.200 5.397 0 40 FKAB Clc1ccc(Cl)c(Nc2ccnc(SCc3ccccc3)n2)c1 1679759 NMZQXFCSDNBWFV-UHFFFAOYSA-N 362.285 5.819 0 40 FKAB in-vitro O=C(Nc1ccccc1)C(Cl)=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1683529 SSJCXFQAYVYZGU-UHFFFAOYSA-N 369.462 5.510 0 40 FKAB O=C(CN1CCCCC1)N1c2ccccc2Sc2cc3ccccc3cc21 1705770 VEWLAKCSTPGRJF-UHFFFAOYSA-N 374.509 5.455 0 40 FKAB NC(=O)CCCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2187416 QNDZTDQVMBIRHK-KRWDZBQOSA-N 363.935 5.087 0 40 FKAB COc1cc2c(C(=O)O)c(C)n(-c3ccc(C)cc3C)c2c2ccccc12 2286088 VOYVQWAOSSIXJF-UHFFFAOYSA-N 359.425 5.416 0 40 FKAB Cc1oc(-c2cccc(C(F)(F)F)c2)cc1-c1nc2ccccc2s1 3407942 ZOIYFTYVLXHUTE-UHFFFAOYSA-N 359.372 6.551 0 40 FKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C3CC3)c3ccccc32)c1 3648649 YVAQONGHCBYZSP-UHFFFAOYSA-N 361.485 5.745 0 40 FKAB CCCC[C@H](CC)c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 4837901 WOUSXYCZFIWYLM-JTQLQIEISA-N 372.321 5.781 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(O)c2)N3)C1 5838549 KLPBWGQWYSJOKJ-PXAZEXFGSA-N 356.491 5.034 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 5862049 WJYFIACHOQNSRI-MRXNPFEDSA-N 365.860 5.013 0 40 FKAB Cc1nnc(SCc2ncc(-c3ccccc3)o2)n1C1CCCCC1 5865995 VYAPHPSLDZJOFU-UHFFFAOYSA-N 354.479 5.039 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1ccc(OCC(C)C)cc1 5960514 ZPDLWXQUYRUDII-UHFFFAOYSA-N 362.267 5.045 0 40 FKAB Cc1ccc(N=P2(Nc3ccc(C)cc3)Oc3ccccc3O2)cc1 6030126 LCOXYRPYQMIKQB-UHFFFAOYSA-N 350.358 6.465 0 40 FKAB Nc1c(Cl)cc2oc(-c3ccc(Br)cc3)nc2c1Cl 6926597 NHRRZVBFXGGDRS-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ccccc2Cl)o1 7987588 MBEUMZDGVPPKCU-ZDUSSCGKSA-N 355.821 5.100 0 40 FKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)c1C 8725762 ABYKRNCULUBXLH-HNNXBMFYSA-N 366.486 5.054 0 40 FKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)CC(C)C)n(CC(C)C)c1C 9059936 DGCIOCFAZIAAKM-UHFFFAOYSA-N 366.509 5.289 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 9250311 SPFKRXLGPWYOHL-OAHLLOKOSA-N 350.487 5.505 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C 13362245 BQZRKZZMXXROLN-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Fc1ccccc1COc1cccc(CNCCc2c[nH]c3ccccc23)c1 16450063 UBYZADFRYMMNRH-UHFFFAOYSA-N 374.459 5.218 0 40 FKAB Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)oc2c(Br)c1C 20156766 WQAOHWUFDSULIT-UHFFFAOYSA-N 358.279 6.172 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2cccs2)on1 21149586 ZBLVTMCUBIVTMJ-UHFFFAOYSA-N 372.755 5.328 0 40 FKAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccco1 26946316 WKSSXPAMLKSLTL-FQEVSTJZSA-N 371.889 5.072 0 40 FKAB Clc1ccccc1Cn1cc(CNCc2cccnc2)c2ccccc21 28427981 BBAGJCZQJWJPDT-UHFFFAOYSA-N 361.876 5.028 0 40 FKAB C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(-n2cccc2)cc1 32609617 DBSDUNYXXATJOY-ZDUSSCGKSA-N 359.256 5.275 0 40 FKAB CCc1nnsc1N(Cc1cccc(Cl)c1)c1ccc(OC)cc1 32611837 WESQECSQVWOAHM-UHFFFAOYSA-N 359.882 5.101 0 40 FKAB CC(C)c1ncc(CN[C@H]2[C@H](c3ccc(Cl)cc3)[C@H]3CCCC[C@H]32)cn1 57774218 FWWIJUZGOPAXGF-DOIPELPJSA-N 369.940 5.315 0 40 FKAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)c1 95945294 HONJZVNYMLMLGG-IBGZPJMESA-N 361.470 5.136 0 40 FKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 210199023 SCIOJRJWNWBLNL-RIYZIHGNSA-N 350.226 5.234 0 40 FKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccccc1F 214370080 JUOHUNFDGKWJBS-XDHOZWIPSA-N 363.413 5.215 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219613057 HFCGRRGLNSAMPF-UXHICEINSA-N 359.897 5.382 0 40 FKAB CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222720266 GCXZABJQJSURBJ-UHFFFAOYSA-N 372.342 5.587 0 40 FKAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc2c(c1)CCCC2 223109663 TWIOGIXQPXIMNN-NRFANRHFSA-N 351.490 5.234 0 40 FKAB CCc1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 225498115 LWJLGSXDDNBULD-HXUWFJFHSA-N 356.535 5.331 0 40 FKAB FC(F)(F)c1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225539936 MDFUZJXRPLOUDR-UHFFFAOYSA-N 372.843 5.278 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 225705039 NQJPTYMZJLEENU-NRFANRHFSA-N 367.533 5.501 0 40 FKAB Clc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 226294885 ZDHHWVMEBKLNOH-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 245239169 GDNCPMQDMBBSRP-AXGJTTQDSA-N 374.521 5.018 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 250576109 OFLWCQNVMZPNAV-QTBWBUICSA-N 361.485 5.805 0 40 FKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1 408612563 SOSBOOMLSBSSAR-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB COC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408731025 IKPJAKDNXALKIT-UHFFFAOYSA-N 353.421 5.598 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cc(Cl)cc(Cl)c3)sc2C)c(C)c1 409047754 MZRVQNJMDRWVCA-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 409180089 VPGDFWZYSMPKTG-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCC(CC)Nc1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643576010 CRKNGAXCFRGGAF-UHFFFAOYSA-N 373.585 5.330 0 40 FKAB COc1ccc(Cl)cc1Nc1nc(-c2c(C)nc3ccccn23)cs1 643752 NXSVZFODPUZINX-UHFFFAOYSA-N 370.865 5.172 0 40 FKAB Cc1nn2c([C@H](C)Oc3ccc(Cl)cc3Cl)ccnc2c1Cl 1406917 LRONLQIQZDSXHI-VIFPVBQESA-N 356.640 5.138 0 40 FKAB Cc1ccc(C)c(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c1 1893491 VAYRZUUXYVYHHM-UHFFFAOYSA-N 370.448 5.964 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(-c2ccccc2)cc1 2132036 WIRARKSTCJAXRB-UHFFFAOYSA-N 352.817 5.300 0 40 FKAB Brc1ccc(-c2csc(CSc3ccccc3)n2)cc1 2141442 JPBODCCHVJDDQP-UHFFFAOYSA-N 362.317 5.865 0 40 FKAB COc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2568912 QVMOXIZRMVZGPK-UHFFFAOYSA-N 358.466 6.229 0 40 FKAB Cc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4ccc(C)cc4C)c3n2)cc1 3345131 CIAIKLVWOJWSCU-UHFFFAOYSA-N 371.440 5.019 0 40 FKAB COc1ccc(-c2cc(C(=O)OC(C)C)c3cc(Cl)ccc3n2)cc1 4188809 TZYOGGOPGIPIOM-UHFFFAOYSA-N 355.821 5.129 0 40 FKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 4854077 QMZBKBSVBVMWLO-ISKFKSNPSA-N 370.452 5.246 0 40 FKAB CC(=O)N1c2cc3ccccc3cc2N(C(C)=O)c2cc3ccccc3cc21 4921578 IKFDNEQFBWNNEL-UHFFFAOYSA-N 366.420 5.676 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](C)c1ccccc1 5881656 WCFBVNNCDJGEPJ-SFHVURJKSA-N 366.464 5.701 0 40 FKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 6961255 OMYWJGDDRMJXSS-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)CCC2 7668577 BBNGLUVAIRZHPD-UHFFFAOYSA-N 351.490 5.440 0 40 FKAB COc1ccc(NC(=O)c2ccccc2Cl)cc1Cc1ccccc1 12041248 DQBGBYGAKMHIDX-UHFFFAOYSA-N 351.833 5.192 0 40 FKAB O=P1(Nc2cccnc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 12524272 PCPFVGUCJKDNPN-UHFFFAOYSA-N 360.353 5.799 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3sc4ccccc4c3C)cs2)cn1 12982062 IPMPKNIWYFUNGL-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13670416 GMBFTBUIOAMRTF-SJORKVTESA-N 355.547 5.483 0 40 FKAB c1ccc(-c2csc3ncnc(N[C@H]4CCOc5ccccc54)c23)cc1 14160636 MLBJZQPQGSKESY-KRWDZBQOSA-N 359.454 5.294 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 14914711 AYNHTUZCRGMWBB-SECBINFHSA-N 360.693 5.766 0 40 FKAB Clc1cc(Cl)c2ncnc(SCc3nc4ccccc4[nH]3)c2c1 20120554 VPOZFMDORSQOAD-UHFFFAOYSA-N 361.257 5.105 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 20461126 YYXGCSZMCCDBAT-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 22250644 KGOCSTYBGXCIMU-UHFFFAOYSA-N 358.652 5.606 0 40 FKAB Cc1ccccc1CSCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 22832158 QLMRZZQZTNJUCV-UHFFFAOYSA-N 373.827 5.539 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Cl 30853780 KKXCXNJPDBUIQU-IBGZPJMESA-N 374.267 5.943 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 59351243 QVIRYJRYICUUSU-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4C3=CC[C@]12C 65739652 JBBVWVSEQQRIJR-FBPBVXOASA-N 354.490 5.260 0 40 FKAB in-vitro c1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21 68568383 CGKZVLRUVQUGKU-UHFFFAOYSA-N 358.484 7.392 0 40 FKAB biogenic Fc1cc(F)cc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 71761103 WHSGBFFNIVVODT-UHFFFAOYSA-N 366.742 5.446 0 40 FKAB CC[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccc(F)cc1 77911132 NENADMRUTSNAEH-KRWDZBQOSA-N 354.454 5.058 0 40 FKAB Cc1ccc(F)cc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 98073272 PGBKAABZRPJYPB-INIZCTEOSA-N 361.416 5.107 0 40 FKAB COc1ccc(-c2c/c(=N/c3cccc(OC)c3)c3cc(O)ccc3o2)cc1 100341056 RZSVCRJDCUYXPO-FLFQWRMESA-N 373.408 5.055 0 40 FKAB biogenic CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219324969 GZGNNKZEYGSUBU-UXHICEINSA-N 359.897 5.382 0 40 FKAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223149849 GKESFRPAXCEWFK-FROQITRMSA-N 360.284 5.373 0 40 FKAB CCCC[C@@H](CC)CNC(=O)CSCc1c(Cl)cccc1Cl 223442976 CGGDVFHQLIXYMU-CYBMUJFWSA-N 362.366 5.559 0 40 FKAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224155417 DZDITKNBUQYOMU-AWEZNQCLSA-N 361.397 5.001 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)c1cc2c(ccc3ccccc32)o1 224913474 GHEODTLYTGJEKG-UHFFFAOYSA-N 356.425 5.439 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2cc(C)c(C)cc2C)c2ccccc2O1 225636689 ZMBIVEALXCIFAS-HXUWFJFHSA-N 351.490 5.424 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1Cl 225667615 OPBGKHMJMQJOGV-QRWLVFNGSA-N 367.917 5.443 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1 225867678 BGILRWMEFDPYGD-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB COc1ccc(-n2c(C)nnc2SCc2cccc3ccccc23)cc1 409106764 UEPZPTALYGWAHU-UHFFFAOYSA-N 361.470 5.030 0 40 FKAB O=C(Nc1ccccc1)c1cccc(Oc2ncncc2-c2ccccc2)c1 537046351 FJJFEYCRIYNBGY-UHFFFAOYSA-N 367.408 5.188 0 40 FKAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(CCc2ccccc2)n1 585265536 NOMAWEQYLCYWDV-UHFFFAOYSA-N 361.441 5.019 0 40 FKAB CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Br)cc1 709104 HUGUAWBMGCGFTE-UHFFFAOYSA-N 372.262 5.303 0 40 FKAB Cc1cccc(C)c1NC(=S)Nc1ccc(Br)cc1F 2659680 FITQBJNWAKYBIZ-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB COc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1Cl 3302435 ZVTFAVPVRFNKHH-UHFFFAOYSA-N 361.869 5.054 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(-c2cccc(Cl)c2)c(C)s1 3504137 AQXVFZWJIRYPHE-UHFFFAOYSA-N 356.878 5.262 0 40 FKAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc(C(C)(C)C)cc2)o1 4740817 XTWQXUIVDAMUPC-UHFFFAOYSA-N 366.486 5.318 0 40 FKAB CC[C@H](CO)NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523457 YSOSFUSHKVHKAM-GOSISDBHSA-N 371.442 5.369 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 5539031 NODIWINYGUJQCT-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB O=c1cc(COc2ccc(Cl)cc2C2CCCCC2)nc2sccn12 5938527 DIARHPUIBAXWPT-UHFFFAOYSA-N 374.893 5.036 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(Br)ccc1Cl 6215867 GHGAZFZUISVHNJ-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB Cc1cc(OCCn2cc(C(=O)C(C)C)c3ccccc32)ccc1Cl 6415103 IKEDGQKBZUHBGU-UHFFFAOYSA-N 355.865 5.521 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 8499389 KQNYZFWNSLNPMD-OAQYLSRUSA-N 373.496 5.300 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCCC2)cc1 10367511 AHTCICGXMMRTNX-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 13014743 PLSBTBSOATZQCR-CQSZACIVSA-N 352.409 5.066 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cccc(C)c3)n2)cc1 17073086 QVOPQYQDARIRRA-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)c1 22472327 DWWQEJLJAXFQHD-UHFFFAOYSA-N 364.470 5.238 0 40 FKAB S=c1[nH]cc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 26423125 GCRKSGOMANNSIE-UHFFFAOYSA-N 365.683 5.618 0 40 FKAB CCCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 30755255 QIOUOYBUEBCSDK-QHCPKHFHSA-N 359.469 5.303 0 40 FKAB O=C(C[C@H]1C=CCC1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182913 ZQMGURZMXXOBSV-NSHDSACASA-N 352.381 5.124 0 40 FKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 71844343 FJJMINORVUDZFY-RXVVDRJESA-N 357.444 5.082 0 40 FKAB O=C(NC1(c2ccccc2)CCC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84525158 FCEAVLGWIGYPOA-DLBZAZTESA-N 359.391 5.005 0 40 FKAB Clc1cc(CNCc2csc3ccccc23)cc2c1OCCCO2 84593155 RHSYTRSRXZUQES-UHFFFAOYSA-N 359.878 5.006 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 95868148 YWHWYTRNKBGSRE-HKQCOZBKSA-N 370.665 8.418 0 40 FKAB CCOC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924332 UEYAIUYANUAWRC-VYPZBVOESA-N 374.609 6.625 0 40 FKAB CN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2Cl)c1 216572788 PFENRDDAZGKEGO-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCCSC1CCCC1 225176155 XOJFRMOQRMFKSX-UHFFFAOYSA-N 357.972 5.004 0 40 FKAB COc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1Cl 225324963 CVSCOJNXDOLFQJ-UHFFFAOYSA-N 358.652 5.227 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225519487 HPGCQJHTVDSSSU-UHFFFAOYSA-N 367.464 5.598 0 40 FKAB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 247833988 MRWSXEXBEQFWEL-RODAYXDMSA-N 367.876 5.643 0 40 FKAB Cc1ccccc1Cc1ccc([C@H]2CCCCN2Cc2cccnc2)cn1 257275721 NQQHIUMYXLKYRL-XMMPIXPASA-N 357.501 5.103 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3ccc(Cl)cc3Cl)sc2C)c(C)c1 409039815 DRYHBZAOYHMRFF-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1cccn1-c1ccc(Cl)cc1 409100379 UVMPESLWFJKOTO-PDGQHHTCSA-N 352.846 5.216 0 40 FKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(CCC2CCCC2)n1 585265421 OTDDSOJSMLWKAT-UHFFFAOYSA-N 367.489 5.667 0 40 FKAB CCOc1ccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 854986 XHOIAAMDKSGDBG-HSZRJFAPSA-N 357.457 5.472 0 40 FKAB CC(C)(C)[C@@H]1COc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 1392401 XDHJAHIHBZFVEB-KRWDZBQOSA-N 363.379 5.159 0 40 FKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2cccc(Cl)c2)[C@H]3CCC1 1428317 JIGSKSBKCUXNKT-FQEVSTJZSA-N 364.876 5.137 0 40 FKAB CCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)cc1 1777810 GEPOZFOIUUAICI-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 2306880 LCNIRKSIQMQGGT-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCN[P@@](=O)(OC)SCc1c(Cl)sc2ccc(Cl)cc12 2380528 MOLGPVLMEDQUSV-GOSISDBHSA-N 370.263 5.805 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1 3024404 MJZKCLNVXPRNLA-UHFFFAOYSA-N 372.515 5.449 0 40 FKAB O=C1O[C@@H]2CCCC[C@@H]2C2(CCCCC2)[C@H]1CCCCNc1ccccc1 3999240 OZRXHOCLDHJQJT-FDFHNCONSA-N 369.549 5.951 0 40 FKAB biogenic CC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4612818 KIXGFZRPUASEFM-ASDGIDEWSA-N 371.524 5.462 0 40 FKAB CCOc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1 4740999 MYFONGOMYVNBBW-UHFFFAOYSA-N 356.838 5.035 0 40 FKAB CCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 4815607 FSXDTMSVEXQJEA-HSZRJFAPSA-N 374.484 5.473 0 40 FKAB CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(C)c1C 4849207 OATUTFWBNWBIRK-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB C(=C/c1ccc2ccccc2n1)\c1ccc(-c2ncc(-c3ccccc3)o2)cc1 5391020 ZNDFQHKQPHAYBQ-FOWTUZBSSA-N 374.443 6.727 0 40 FKAB CCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 5825158 OIOBSRSPYFOHMW-UHFFFAOYSA-N 357.457 5.221 0 40 FKAB biogenic Cc1ccc(-c2nc(-c3cccc4ccccc34)[nH]c2-c2ccccc2)cc1 6480132 PEVVUOSIMCYOKB-UHFFFAOYSA-N 360.460 6.872 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 6629156 PTIAEDQOEGJHJU-UHFFFAOYSA-N 366.505 5.354 0 40 FKAB CCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 7262370 MPDDGYZNZDGEOX-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3N3CCCC3)ccc2c1 7989109 XHSKDYMPPLQKBH-KRWDZBQOSA-N 374.484 5.191 0 40 FKAB O=C(c1cccc(F)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235667 CBLHQZKBOSCZKR-UHFFFAOYSA-N 374.868 5.109 0 40 FKAB O=C(NCCC1=CCCCC1)c1ccccc1SCc1ccccc1 10338662 PLKGZVDXRXHJLA-UHFFFAOYSA-N 351.515 5.599 0 40 FKAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccc2ccccc12 11948952 QOLPKRSGJMMYPB-MDZDMXLPSA-N 368.816 5.179 0 40 FKAB Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1cccc(F)c1C 12372497 AWPCPDUFXKTLFA-UHFFFAOYSA-N 367.464 5.756 0 40 FKAB CCCCCc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12796138 DFKIQYLVNGKGHZ-CQSZACIVSA-N 369.534 5.507 0 40 FKAB Cc1ccc(Cn2nc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1 17073091 UBWFGUIAVXYMFS-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 18709376 GRFZBZPOKGVGCT-LLVKDONJSA-N 371.836 5.202 0 40 FKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)cc2)cc1 22072306 KHPLFVZZFPLAAD-UHFFFAOYSA-N 365.864 5.854 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(Cl)cc1 22072782 LCIOLTKSSOTBKN-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 44848021 QJRSSXMJIYECOJ-DYESRHJHSA-N 371.546 5.388 0 40 FKAB COC(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 45919925 DGFZFEVXXLURQI-UHFFFAOYSA-N 356.592 5.242 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57412593 XXPYOSWQQZLIPB-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(Br)cc1 71760640 AFWKKBBNWZXIQW-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72214294 OIMWUIFMGIYFJZ-QFIPXVFZSA-N 371.484 5.217 0 40 FKAB Cc1nc(-c2ccc(OCc3ccccc3Cl)c(C(=O)O)c2)cs1 85397511 BSOCQOYVRMBXSM-UHFFFAOYSA-N 359.834 5.049 0 40 FKAB CC1(C)CC(O)=C[C@@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 103151303 MDYMAZDVTJBOGX-OFNKIYASSA-N 360.457 5.188 0 40 FKAB O=[P@@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@@H]1c1ccccc1 104183314 MJSUUSHGYQJORK-ATIYNZHBSA-N 360.393 6.622 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 107039653 GOHLXSZFQQTOOV-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206879866 NZGYLLSZPAYIKF-SFHVURJKSA-N 352.865 5.231 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc3ccccc3nc2s1 223129489 KJUWIYRTKPFMAY-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1C(C)C 223319109 NTOICUMCTIZWHK-QZTJIDSGSA-N 369.505 5.080 0 40 FKAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)Sc1ccccc1 225132069 HULGKRYLRQEEMG-FQEVSTJZSA-N 366.507 5.626 0 40 FKAB CC[C@@H](C)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225272938 UEGIMHWQWNAETK-OAHLLOKOSA-N 368.546 5.300 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225505520 HJCHSOONPLHICI-HXUWFJFHSA-N 368.452 5.349 0 40 FKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1 225695479 MWHNJULTLPXISE-UHFFFAOYSA-N 363.542 5.672 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2c1 226295201 BHSBEBGWXDRERF-UHFFFAOYSA-N 363.844 6.344 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@H]12 245241279 ZULBOIQTAAUGKN-QCGMLDPPSA-N 374.565 5.510 0 40 FKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)c2ccccc21 409117559 OLKLELVNTHONES-KQWNVCNZSA-N 369.464 5.481 0 40 FKAB CCc1ccccc1NCc1cccc(OCc2cccc3ccccc23)c1 409118410 ZMHCDYMWWJGSHC-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1CC1CCCCC1 409149077 WWVMUHSBIXDXLA-XNTDXEJSSA-N 369.408 5.322 0 40 FKAB CC(=O)N1CCCCCCN(Cc2ccc(Cl)cc2)Cc2ccccc21 643563345 RQWWYHAGSCSLEL-UHFFFAOYSA-N 370.924 5.269 0 40 FKAB Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1Br 1504250478 RQOMMJJCJHYNPM-UHFFFAOYSA-N 368.099 5.121 0 40 FKAB CSc1ccccc1C(=O)NCCc1ccc(-c2cccs2)s1 1889278286 PEGNXSKVKNGJKK-UHFFFAOYSA-N 359.541 5.171 0 40 FKAB c1ccc(-c2ccc(Oc3ncnc4sc5c(c34)CCCC5)cc2)cc1 1811781 CMGKIWJWPKXUGN-UHFFFAOYSA-N 358.466 6.029 0 40 FKAB Clc1ccc(OCCCc2nnc(-c3cccs3)o2)c(Cl)c1 2136152 ZDWNPQBVJJSWPJ-UHFFFAOYSA-N 355.246 5.117 0 40 FKAB Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 2248341 PRMIOTAMTBHIHM-UHFFFAOYSA-N 367.733 5.699 0 40 FKAB Cc1ccc(C)c(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c1 2310785 BZSJDGGGIUVNSD-UHFFFAOYSA-N 358.872 6.681 0 40 FKAB S=c1[nH]nc(-c2ccc(OCc3ccccc3)cc2)n1Cc1ccccc1 2369882 RPOQACUSXKIAES-UHFFFAOYSA-N 373.481 5.235 0 40 FKAB Cc1cc2c(O)c(-c3ccc(Cl)cc3)c3sc(=O)oc3c2cc1C 2404092 WDVCFSNICJVORF-UHFFFAOYSA-N 356.830 5.651 0 40 FKAB Cc1ccc(N=c2sc(-c3ccccc3)c(-c3ccccc3)s2)c(C)c1 3196364 HHTGKYABDBSMAJ-UHFFFAOYSA-N 373.546 6.993 0 40 FKAB CCCC[C@@H](CC)CNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699960 UOKJYKAECCVMTM-RBUKOAKNSA-N 374.569 5.497 0 40 FKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2sccc2n1Cc1ccccc1 4970873 LRZRBTXICAHLTD-IYBDPMFKSA-N 352.503 5.154 0 40 FKAB Cc1ccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3ccccc32)cc1 5028600 SVWKOQDHVJFDPS-UHFFFAOYSA-N 363.464 5.868 0 40 FKAB COc1ccccc1NC(=O)CCc1ccc(-c2ccccc2Cl)o1 5032379 KMXUJSMIDRPTBH-UHFFFAOYSA-N 355.821 5.180 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C)sc1C 5357068 UFHLTEOLEAEPDJ-OCCSQVGLSA-N 359.491 5.062 0 40 FKAB CCCCCC1CCC(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1 5614738 RCHXEXBHMZMUMZ-UHFFFAOYSA-N 365.517 7.152 0 40 FKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Cl)c1 6126297 QCABAXNMMKROEI-UHFFFAOYSA-N 371.845 5.107 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)C1(c2ccc(Cl)cc2)CC1 7166507 MZRASAOLVMGAFB-UHFFFAOYSA-N 361.872 5.601 0 40 FKAB CC(=O)c1sc(-c2ccc(Oc3ncnc4sccc34)cc2)nc1C 8325075 AZQXQYFHFGVUNL-UHFFFAOYSA-N 367.455 5.118 0 40 FKAB CCCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(C)o1 8917595 WCHQECUHXNMXEF-UHFFFAOYSA-N 367.445 5.203 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nc3ccccc3o2)cc1 10421409 SBJUABBYUDNZEY-UHFFFAOYSA-N 367.408 5.157 0 40 FKAB O=C(Nc1ccnn1Cc1cccs1)c1sc2ccccc2c1Cl 12391265 DAIXCJVRXLPZLW-UHFFFAOYSA-N 373.890 5.113 0 40 FKAB Cc1cccc(-n2ccnc2SCc2nc3ccccc3s2)c1C 12532217 YRCITZHORRPUAU-UHFFFAOYSA-N 351.500 5.391 0 40 FKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 12753554 LKNPLEVZBUMZGT-UHFFFAOYSA-N 365.820 5.236 0 40 FKAB O=C(CCSCc1cccc(F)c1F)Nc1ccc(Cl)cc1F 13017559 WGYIKNLBJVWSPY-UHFFFAOYSA-N 359.800 5.019 0 40 FKAB COC(=O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC=O 13410060 CEHXOVCCJGHXEP-MOTGWWSXSA-N 364.526 5.060 0 40 FKAB CCOc1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)cc1OCC 13754895 NYSCANNPCRRQPF-UHFFFAOYSA-N 372.534 5.094 0 40 FKAB COc1cccc(-c2noc(CSc3c(Cl)cccc3Cl)n2)c1 13988178 XLPIORVNLRVTLF-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 14258047 FFJLWAHFRKWJGF-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1ccc2c(C)c(C(=O)N3CCC(c4nc5ccccc5o4)CC3)oc2c1 15832101 FIVJUXGHRPJEPX-UHFFFAOYSA-N 374.440 5.211 0 40 FKAB CCCCCC[C@H](C/C=C/CCCCCCCC(=O)OC)OC(C)=O 16889854 CMOYPQWMTBSLJK-RDPWEWGOSA-N 354.531 5.739 0 40 FKAB Clc1ccccc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 19842166 SULWWKZJHDDCLO-UHFFFAOYSA-N 368.952 5.184 0 40 FKAB Cc1ccc(C)c(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19933177 FNMZDIKITMYGJR-UHFFFAOYSA-N 356.516 5.368 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 22530987 CRYQNKXVAAEICB-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB O=C1c2cccc3cccc(c23)[C@H]1[C@H](Sc1ccccc1)c1ccccc1 28294690 BLDWPPBXFJYBGS-ILBGXUMGSA-N 366.485 6.653 0 40 FKAB CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1 56226650 HNYRJZFJMHPXGF-UHFFFAOYSA-N 364.804 5.018 0 40 FKAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccccc2Cl)o1 71279999 FXCRRPOWBFYQIX-ZDUSSCGKSA-N 355.825 5.501 0 40 FKAB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC 101652086 UCLGIKKXOIONJU-PKBMHHEFSA-N 351.534 5.656 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@H]2O 118932262 OEECLXWCHUIMAU-QRXSTXMPSA-N 374.565 5.222 0 40 FKAB COc1c(C)cc(O)c(-c2c(O)ccc3cc(Br)ccc23)c1C 169796299 CLYIYLGDPFVMJG-UHFFFAOYSA-N 373.246 5.306 0 40 FKAB C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222906329 DIXNUCTUPXHACE-HNNXBMFYSA-N 373.949 5.578 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1cc(C)ccc1C 223898154 FPUQVVKYHBFLOQ-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB CCCCc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225128535 IMIDSNDRCYQBQR-XMMPIXPASA-N 374.480 5.771 0 40 FKAB Cc1cccnc1NC(=S)NC1(CCc2ccccc2Cl)CCCC1 225872311 HOOPFXAMAKIODQ-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)cc1C 409094261 CXPDLCQJRUFQLL-UHFFFAOYSA-N 372.497 5.021 0 40 FKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccccc1F 409114181 DCISGRHKHVRICN-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC 409118244 ZHZXMQUYHXBQAD-UHFFFAOYSA-N 369.848 5.762 0 40 FKAB CSc1ccc2ncnc(N[C@@H](C)c3ncc(-c4ccccc4)o3)c2c1 561373840 DVEFPMMBAZEABS-ZDUSSCGKSA-N 362.458 5.180 0 40 FKAB O=C(c1cccs1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442936 KNAOQSHPJLHFNA-UHFFFAOYSA-N 360.442 5.120 0 40 FKAB CCN(Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 585090186 GDXXXNAXRQVOBS-UHFFFAOYSA-N 359.094 5.782 0 40 FKAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 675437 MUZUZXBNNZQLPH-CAPBHKODSA-N 358.696 5.135 0 40 FKAB O=C(C[C@H](SCc1ccco1)c1ccc2c(c1)OCO2)c1cccs1 943352 VXNMICHJBFDJOO-IBGZPJMESA-N 372.467 5.317 0 40 FKAB Cc1ccc(SCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 1392106 YNJYVTSICGSATQ-UHFFFAOYSA-N 374.918 5.503 0 40 FKAB Cc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2C)cc1 1507353 VKZYPIRQIUQUQX-UHFFFAOYSA-N 359.292 5.933 0 40 FKAB Cc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1cccc(Cl)c1 1791157 UDAFFOSRYHROPY-ZHACJKMWSA-N 354.862 5.424 0 40 FKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@@H](C)CC[C@H]21 2132785 KPIXKDQLMOSNMI-BMJHAEJFSA-N 368.561 7.167 0 40 FKAB biogenic Cc1cccc(NC(=O)CCCSc2nc3ccccc3s2)c1C 2623638 XAYFFVYJPVAMAX-UHFFFAOYSA-N 356.516 5.424 0 40 FKAB Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\Cc3ccco3)c2c1 2887301 NFCRJCCIUKLJHW-YYDJUVGSSA-N 357.453 6.226 0 40 FKAB C[C@H]1CCc2c(sc3nc(CSc4ccccc4)nc(Cl)c23)C1 3886945 DOKVFLZORVZYAB-NSHDSACASA-N 360.935 5.762 0 40 FKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1C 4539991 SXVZHJSVEHOZQO-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB O[C@@](/C=C/c1ccccc1)(Cc1cc(-c2ccccc2)[nH]n1)c1ccccc1 5479692 LEJPMTCEIUFHGJ-OSBDDZKNSA-N 366.464 5.220 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc(C)cc3s2)c1 5750589 HKPILPXINFFEAP-UHFFFAOYSA-N 354.475 5.054 0 40 FKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2c(F)cccc2s1 8279553 JECSCKHKCYYIGX-UHFFFAOYSA-N 369.417 5.334 0 40 FKAB S=c1sc2ccccc2n1CSc1ncc(-c2ccccc2)nn1 9667824 WUSGJLFCPLBUSF-UHFFFAOYSA-N 368.512 5.034 0 40 FKAB Cc1ccsc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12567627 NEYFBSGWCQWGFK-XVJNWHFHSA-N 354.500 5.043 0 40 FKAB Fc1ccc(-c2cc3nc(C(F)(F)F)cc(-c4cccs4)n3n2)cc1 13961005 GVFKNFHTMXWDJH-UHFFFAOYSA-N 363.339 5.283 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cccc(F)c3)n2)cc1 17072662 KEGAECZRIKHOOO-UHFFFAOYSA-N 350.343 5.624 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 17072865 LFINJWTYBAZWIP-CYBMUJFWSA-N 351.368 5.236 0 40 FKAB CCOC(=O)c1c(NC(C)=O)sc2cc(Sc3ccccc3)ccc12 17903301 QRTMRUZMKVQLPC-UHFFFAOYSA-N 371.483 5.188 0 40 FKAB COc1ccccc1Nc1c(-c2cccs2)nc2ccc(Cl)cn12 35616009 WINYYSXLMIQDOI-UHFFFAOYSA-N 355.850 5.468 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 46086171 VLLUGZHLKLWUHX-UHFFFAOYSA-N 371.864 6.134 0 40 FKAB Cc1c(C(=O)N2CCC[C@H]2c2ccc(O)cc2)oc2c(Cl)cccc12 48354876 QFPQORKFHMCTJW-KRWDZBQOSA-N 355.821 5.078 0 40 FKAB Brc1cncc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 57352806 KPEBVPBSAZMRAA-UHFFFAOYSA-N 365.230 5.243 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351815 TVGJMYBLXHIGEF-FGZHOGPDSA-N 367.533 5.717 0 40 FKAB CCOC(=O)N(C)c1ccc(NCc2csc(-c3ccsc3)n2)cc1 98173371 UGKZIHHXHVWOFN-UHFFFAOYSA-N 373.503 5.076 0 40 FKAB CCOc1ccc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)cc1OC 101014847 PLNCENFVONYART-FQEVSTJZSA-N 373.452 5.099 0 40 FKAB Cc1cc2cc(NC(=O)c3cc(-c4ccc(F)cc4)no3)cc(Cl)c2o1 141589147 VLOBYPDBTOIBGU-UHFFFAOYSA-N 370.767 5.441 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1 219312711 WIJCXFFOVVBCAA-HXUWFJFHSA-N 353.462 5.113 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C 223397125 CHKABGRRIXKJPN-HZPDHXFCSA-N 361.938 5.623 0 40 FKAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc2ccccc2c1 225091928 PEKXEUWRVPXXAY-SFHVURJKSA-N 361.224 5.221 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3cc(C)ccc3C)CCCC2)c1 225842384 WOAPCPYBLSSGED-UHFFFAOYSA-N 366.574 5.844 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2cccc(Cl)c2)o1 408624003 WHQRWIUKUVUGNB-UHFFFAOYSA-N 372.808 5.601 0 40 FKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408812540 WURXOCHGPCBWAA-UHFFFAOYSA-N 364.277 5.065 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(F)c2)cc1 409109912 NTGWZKAKAQXLNN-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C1Nc2ccccc2/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 409207251 URZGTQRUZQXUFI-GXDHUFHOSA-N 356.208 5.746 0 40 FKAB Cc1ccc(-c2nc(OCc3ccccc3)nc(-c3ccc(C)cc3)n2)cc1 816809 FJXQKXMIOILHNG-UHFFFAOYSA-N 367.452 5.401 0 40 FKAB COc1cccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)c1 984775 BEKZGXSAFLYQHA-JOCHJYFZSA-N 361.466 5.759 0 40 FKAB CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1OC 1799578 QBERFODRWGOEMI-ACCUITESSA-N 357.425 5.055 0 40 FKAB biogenic CCCCC[C@@H]1CCC[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2352008 IRWVQKFPMGWMKU-WOJBJXKFSA-N 364.529 7.296 0 40 FKAB COc1cc(CCC(C)=O)ccc1OCc1ccc(Cl)cc1Cl 2381214 VZPNXDFNXUSYNE-UHFFFAOYSA-N 353.245 5.103 0 40 FKAB Cc1nc(N2CCc3ccccc3C2)c2c(-c3cccs3)csc2n1 3368646 LOETYAUPUFDAHB-UHFFFAOYSA-N 363.511 5.291 0 40 FKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 4659308 AFSDAYYJXYTUQX-UHFFFAOYSA-N 365.816 5.046 0 40 FKAB aggregator Fc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)cc1 4725709 NSXDZVXMMSWZQT-RUJXFNLJSA-N 354.475 5.970 0 40 FKAB Cc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c(C)c1 4949713 NWQNHBVTWCCURO-UHFFFAOYSA-N 372.493 6.963 0 40 FKAB CCCCCNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12 5035216 XDEBRXIWGGHTLJ-UHFFFAOYSA-N 365.868 5.200 0 40 FKAB Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccccc3)c(O)c2)cc1 5248770 KZVRVOHRXRDILX-UHFFFAOYSA-N 370.452 5.645 0 40 FKAB Cc1cccc(C)c1OCc1nnc(SCc2ccccc2Cl)o1 6234523 OCIMGRSWOHPQEL-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Oc3cccc4ccccc34)cc2)cc1 6479767 ZKGWXTDWWWJYKX-UHFFFAOYSA-N 368.432 5.946 0 40 FKAB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c2ccccc21 6630233 INVXJLOJKMWWMX-PXLXIMEGSA-N 370.496 5.618 0 40 FKAB FC(F)(F)c1cccc(OCCCN2CCCC[C@H]2c2cccnc2)c1 6719070 LBTGEWHWZCSNRC-IBGZPJMESA-N 364.411 5.097 0 40 FKAB biogenic O=C(C1CCCC1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 8314316 HSYRHPKSFSIODT-UHFFFAOYSA-N 356.878 5.805 0 40 FKAB C[C@H](CCCCCOC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 8649173 FFJQKGNGQLKOOI-QGZVFWFLSA-N 370.449 5.433 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2ccccc12 9063956 FAYKBRACIQHCPE-UHFFFAOYSA-N 363.420 5.635 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1OCc1ccccc1 13687387 YIQWFLZPZQCSMY-IBGZPJMESA-N 359.469 5.017 0 40 FKAB Cc1nc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)sc1C 15321863 DJPCRYCCDNAJCG-UHFFFAOYSA-N 371.076 5.021 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccc(F)cc3)cc12 16837863 MXDZHXPBHVEPBG-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 19691138 JCORQVDYGHXBIK-UHFFFAOYSA-N 356.469 5.077 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 20049578 CATWMGGAZMPVHC-QARGNGGGSA-N 357.881 5.265 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 20455247 UKWNDQVFMIKZTG-HNNXBMFYSA-N 357.759 5.155 0 40 FKAB COc1cccc2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)oc12 20485455 HJZPGLKFQCVCIX-JOCHJYFZSA-N 371.436 5.269 0 40 FKAB COc1cccc(C(=O)N(Cc2cccc3ccccc23)c2ccccn2)c1 27662927 KJJPZHGZGMBPAJ-UHFFFAOYSA-N 368.436 5.090 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)ccc2c1 32740951 ZNTIXYDOCSYPIR-HZPDHXFCSA-N 373.452 5.576 0 40 FKAB CCc1ccc(-c2nc(C(=O)N(CC)c3ccccc3C)cs2)cc1 32753799 JPQSVPGFOLRZDR-UHFFFAOYSA-N 350.487 5.348 0 40 FKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1 38772709 HTIAPERBDZPECW-UHFFFAOYSA-N 371.480 5.396 0 40 FKAB CCN(CC)C(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127552 UYFIFXUSYLTRFQ-UHFFFAOYSA-N 363.244 5.284 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 44901814 JYZIWNSZGOGAPD-GOSISDBHSA-N 366.288 5.519 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44905905 WLIVJEOCAAUIIS-HXUWFJFHSA-N 364.533 5.170 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C[C@H]1C=CCC1 84691733 IGIROEGAKUJRHL-OAGGEKHMSA-N 374.912 5.038 0 40 FKAB C[C@H](c1ccco1)N(C(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2)c1ccccn1 102138144 ZHZNDVBTGVLLRG-CNZFQNNESA-N 364.489 5.375 0 40 FKAB Cc1noc2c1[C@H](c1cccs1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102751819 ZXYJJGMUSQXLAA-XOBRGWDASA-N 362.454 5.652 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)c(C)c1 219303271 ACOKBMBLMPFDLF-PZJWPPBQSA-N 353.506 5.264 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc2ccccc12 222825790 SAEMYNAZGBHMDJ-PKNBQFBNSA-N 356.252 5.476 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 222873604 NBCLMVVHQXVXKW-KRWDZBQOSA-N 352.261 5.352 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C 223491322 VGNLIXLDXBZMLM-IAGOWNOFSA-N 359.897 5.218 0 40 FKAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1C(C)C 224232913 BYFCCIFOAMSUTE-UHFFFAOYSA-N 367.489 5.024 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2ccccc2c1 225532057 JJBJSTUQWYSWQT-QHCPKHFHSA-N 359.469 5.515 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)cc1C 225716604 KKLNFDJDIOLIEB-HXUWFJFHSA-N 356.535 5.528 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ncccc12 225908719 ADLAJXUPCOJQDG-JOCHJYFZSA-N 372.509 5.338 0 40 FKAB CC(C)(NC(=O)c1cn(CCCCCF)c2ccccc12)c1ccccc1 299817373 ZJCYQNSYQBCKOD-UHFFFAOYSA-N 366.480 5.446 0 40 FKAB in-vitro CCCc1sc(=Nc2cccc(Cl)c2)[nH]c1-c1ccc(OC)cc1 408757539 ZMRDAADSBLXAOZ-UHFFFAOYSA-N 358.894 5.590 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1 409025962 BXUIRQMRSNRHLH-IZZDOVSWSA-N 362.300 5.621 0 40 FKAB CC(C)Oc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O 409092417 XXJMUTDVFSXCMT-BKUYFWCQSA-N 361.466 5.712 0 40 FKAB Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccccc1 409194159 OLEWJUGVPGDAHI-UHFFFAOYSA-N 354.478 6.275 0 40 FKAB CC(C)[C@@H]1COC(c2cccc(C(c3ccccc3)c3ccccc3)n2)=N1 1988181054 DTMJIFNAEKBYQS-QFIPXVFZSA-N 356.469 5.063 0 40 FKAB Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 632980 HAHBGOMBUBUGCQ-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cccc3c(Br)cccc23)c1 834915 LTSQYCCWQZZGCR-UHFFFAOYSA-N 354.247 5.471 0 40 FKAB COc1ccc([C@@H](CC(=O)c2cccs2)SCc2ccco2)cc1 844676 YTMIAHDLAGKMTK-LJQANCHMSA-N 358.484 5.597 0 40 FKAB CCC(=O)N(CC[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccccc1 1834700 QXLUBEZSLWAWEA-QFIPXVFZSA-N 353.506 5.264 0 40 FKAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 1934224 INDFQBLYFWQYKV-UHFFFAOYSA-N 373.452 5.273 0 40 FKAB Cc1ccccc1C1=CC(Cl)=C(c2cccs2)Oc2ccccc21 2072598 UJAPNSSIIDYOIB-UHFFFAOYSA-N 350.870 6.488 0 40 FKAB biogenic O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2079530 KEASNGMTCUFMEA-UHFFFAOYSA-N 373.839 5.912 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 2231479 WVHROOLLDKUJFM-AWEZNQCLSA-N 360.413 5.854 0 40 FKAB COc1ccc(CNCC[C@H](CCC(C)C)c2ccc(OC)cc2)cc1 2454063 LUFXWMHKGCJJAY-NRFANRHFSA-N 355.522 5.404 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1 3903778 HHYLTYRWMUMJHY-UUOWRZLLSA-N 357.501 5.702 0 40 FKAB C[C@@H](NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 4028041 GUYRJBUAYYRZRL-UEVCKROQSA-N 351.534 5.716 0 40 FKAB C[C@H](C[C@H](CC[C@H](C[C@@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410141 RBOUZWSMOPFOLI-YSFYHYPLSA-N 368.694 6.552 0 40 FKAB CCCCN1CN(c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21 4649965 MWBPCHLHZQBLFX-UHFFFAOYSA-N 366.896 5.314 0 40 FKAB Cc1c(C(=O)NC(=S)Nc2ccc3ccccc3c2)oc2ccccc12 4682381 XKZGWMKMHVWYGT-UHFFFAOYSA-N 360.438 5.021 0 40 FKAB S=C(Nc1cccc(Cl)c1)Nc1ccccc1Sc1ccccc1 4741422 NSXXTKQDVNOBBZ-UHFFFAOYSA-N 370.930 6.300 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 4954616 AJXRFYBIVNZBEQ-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB Fc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2c1 4970318 LQGYTIFEJPIXTP-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB COC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1Cl 6306052 ILQYQRKSIMFFFC-KPKJPENVSA-N 371.864 5.076 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7987298 OYHGKOFKIJXDBU-OAHLLOKOSA-N 362.454 5.062 0 40 FKAB CCCCCC(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 8111835 XPSRFXZOCGLATI-UHFFFAOYSA-N 353.702 5.040 0 40 FKAB COc1c(Cl)cc(Cl)cc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 8497292 IPUPFJZFUJGAHN-PGBBXINNSA-N 368.348 5.697 0 40 FKAB CCC(C)(C)NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 13725110 APRRFQNUUXRKRY-UHFFFAOYSA-N 352.305 5.851 0 40 FKAB Cc1ccccc1Nc1nc(-c2ccc(C(C)C)cc2)c(CC(=O)O)s1 19894578 STAAZBKDKSTFGH-UHFFFAOYSA-N 366.486 5.613 0 40 FKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)O)C1 20333665 OEFUSNBYAQUARV-LBPRGKRZSA-N 371.502 5.121 0 40 FKAB Fc1cccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 20509745 NVXDQQHEQUTWDY-IBGZPJMESA-N 363.367 5.216 0 40 FKAB C[C@@H](NC(=O)c1ccccc1SCc1cccs1)c1cccs1 21905705 NFTKOWNXONILBX-CYBMUJFWSA-N 359.541 5.593 0 40 FKAB Cc1ccc(C)c(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 23126587 RHFFASXDELXEQF-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 28581380 SKNPLMDWRMVFMY-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/Cc1cc(C(=O)O)ccc1O 31164525 LSQRGMPMJOCLHX-SISKGNFGSA-N 358.478 5.023 0 40 FKAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1 33027722 BDDWEVPTHTUXNM-UHFFFAOYSA-N 361.441 5.337 0 40 FKAB Cc1nc(Oc2ccc3ccncc3c2)c2c3c(sc2n1)C[C@H](C)CC3 40160647 LFPHAPBZZHYISI-GFCCVEGCSA-N 361.470 5.465 0 40 FKAB CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)c(Cl)c1 42771151 QESCJCPREYPAOA-LJQANCHMSA-N 357.925 5.577 0 40 FKAB CC[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(OC)cc1 44946999 ZWEMNKVYNXUQJT-FQEVSTJZSA-N 359.425 5.476 0 40 FKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1Cl 48314749 WYEFWLZECZTSQR-UHFFFAOYSA-N 364.829 5.373 0 40 FKAB O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1c1ccc(F)cc1 96026297 UVOWJIVQBDYNNN-UHFFFAOYSA-N 354.384 5.201 0 40 FKAB Clc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1 104138376 RKOAUGLLPKMQQD-VXPUYCOJSA-N 369.689 6.652 0 40 FKAB S=C(Nc1ccc(Sc2ccccc2)nc1)NC1CCCCCC1 224042509 PZBLLXHAGQLZPT-UHFFFAOYSA-N 357.548 5.242 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1 225697445 GJZKBBGXNJVCGI-UHFFFAOYSA-N 355.906 5.155 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225744267 XDWUEXIUZHEPEZ-QHCPKHFHSA-N 369.505 5.580 0 40 FKAB CCCCN=c1scc(-c2ccc(Br)cc2)n1CCCC 245242043 XVCZAJKRKGVUHX-UHFFFAOYSA-N 367.356 5.480 0 40 FKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccccc2C)cc1 409118373 PNHYXZNHDFZKBY-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 682332 BHGQSOLSUYWELC-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Br)o1 830167 OYWACAPWSDQNEZ-UHFFFAOYSA-N 369.429 5.255 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(-c2cccs2)nc2ccccc12 990937 YIUDYCXCNMUYQR-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4ccccc4Cl)o3)cc(C(=O)O)c2c1 1437543 JGIIWEWXVMPJMT-UHFFFAOYSA-N 363.800 5.822 0 40 FKAB CCOC(=O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 1745104 ZOELCXMIEPAIKA-UHFFFAOYSA-N 369.424 5.217 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 2729071 FWCPLRITMNIPRD-OVCLIPMQSA-N 365.473 5.419 0 40 FKAB COc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3079528 OFNHICCOTMRLLO-UHFFFAOYSA-N 358.466 6.229 0 40 FKAB O=C(C1CCCC1)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 3439135 LQMLPSBKVPDTLW-UHFFFAOYSA-N 366.461 5.804 0 40 FKAB O=C(Nc1cccc2cccc(NC(=O)c3ccccc3)c12)c1ccccc1 3845007 HLCYYHXGCJOGKK-UHFFFAOYSA-N 366.420 5.344 0 40 FKAB biogenic O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 3897177 MOGJPPSIXXQCEH-JOCHJYFZSA-N 366.420 5.149 0 40 FKAB CCC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccccc1 4073450 YAUWJCHOOUMONV-DEOSSOPVSA-N 373.581 5.827 0 40 FKAB biogenic Fc1ccc(-c2nn(-c3ccccc3)c3c2cnc2c(F)cccc23)cc1 4970147 ZEJUAXGXIVKTKG-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB O=c1oc2ccc(Br)cc2cc1Oc1ccc(Cl)cc1 5675108 NDKOXRNPJNMURV-UHFFFAOYSA-N 351.583 5.001 0 40 FKAB Cc1ccc(C(=O)CCCCCCC(=O)c2ccc(C)cc2O)c(O)c1 5927751 BUAIZFPZLOTKEO-UHFFFAOYSA-N 354.446 5.121 0 40 FKAB CCc1ccc2nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1 6225672 CJVWIRCVHQLXRA-UHFFFAOYSA-N 366.273 5.810 0 40 FKAB CCCCN(CCCC)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 6592320 ZTEACHTZBCDHNC-UHFFFAOYSA-N 374.356 5.407 0 40 FKAB Cc1ccccc1-c1cc(OC(=O)c2ccccc2)cc2sc(=O)oc12 6809724 ZNJSFGVZDYWBFH-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 7537990 IYWYMMQVUHJPEE-UHFFFAOYSA-N 369.867 5.656 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3ccc(F)c(F)c3)cs2)c1)C1CC1 8042052 QXOMGCLNAAAARE-UHFFFAOYSA-N 356.397 5.104 0 40 FKAB O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OC1(CCCC1)O2 8316139 FCPPMXSVNNXHLF-UHFFFAOYSA-N 359.425 5.063 0 40 FKAB CC(C)CC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 8560397 VRDRJNPFCOQQTR-UHFFFAOYSA-N 355.825 5.042 0 40 FKAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@H]([C@H](C)O)[C@@]4(C)CC[C@H]32)C1 8635195 ICYUGIVDALUVGV-DDUQAIHFSA-N 360.582 5.621 0 40 FKAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@H]([C@@H](C)O)[C@@]4(C)CC[C@H]32)C1 8635196 ICYUGIVDALUVGV-XATJTWPNSA-N 360.582 5.621 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)c1 9141323 FGEMFCROMDDOPX-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCOc1ccc([C@@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1 13653983 CDVFNNRMCXWMNC-FQEVSTJZSA-N 363.486 5.536 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 15331040 RSHPZJYATALNJB-LLVKDONJSA-N 357.759 5.073 0 40 FKAB Cc1cccc(OCC(=O)Nc2ccccc2SCc2ccsc2)c1 15720160 LXBHDINZANWSTA-UHFFFAOYSA-N 369.511 5.366 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)oc2c1 15833242 HSUFISGWAIIYQA-JTQLQIEISA-N 354.475 5.192 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)C)c3)nc2c1 16575977 HEMPLIRTOPTDOT-UHFFFAOYSA-N 370.880 6.256 0 40 FKAB Cc1ccc(S(=O)(=O)/C=C(/C=C\c2ccccc2)c2ccccc2)cc1 16955527 QQDNIDJIUIOMIN-MPRWPCGUSA-N 360.478 5.523 0 40 FKAB CCc1ccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 19910183 ZSOPICKABBCGCN-UHFFFAOYSA-N 374.391 5.101 0 40 FKAB c1cnc2cc([C@@H]3O[C@@H]4CCCC[C@H]4c4cc5c(cc43)OCO5)ccc2c1 20436637 WQWAUEKHCKFPIR-YBVWCTEOSA-N 359.425 5.109 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccc(C)cc1 22512040 YCHZTOACCVVINN-DHIUTWEWSA-N 361.485 5.573 0 40 FKAB Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2ccccc2)cc1 24904370 VGFNTNYAOYPVMO-UHFFFAOYSA-N 355.441 5.401 0 40 FKAB O=C(Nc1nnc(C2CC2)s1)c1cc2sc3ccccc3c2s1 25444845 LPFYATAFKVXRNU-UHFFFAOYSA-N 357.485 5.097 0 40 FKAB CC(C)CC(=O)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 27913910 CHFIHZKVSDPDBD-UHFFFAOYSA-N 360.479 5.662 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1 30852460 UWLIKCAVLAGWLH-XXBNENTESA-N 364.533 5.108 0 40 FKAB Cc1ccn2c(Nc3cccc(Cl)c3C)c(-c3ccc(O)cc3)nc2c1 35616300 HWQLUADKSHTLCW-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CCOc1ccc(-c2noc(CNc3ccc(Cl)c(Cl)c3)n2)cc1 36744532 IIMAZIDCOHZCIQ-UHFFFAOYSA-N 364.232 5.054 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cccc2ccccc12 44947955 CGNQLASVRGXLCL-NRFANRHFSA-N 361.485 5.761 0 40 FKAB CCN1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214574 QQELROOZVCRIQC-GOSISDBHSA-N 361.530 5.026 0 40 FKAB C[C@H]1SC2(CCCCC2)N(c2ccc(OCc3ccccc3)cc2)C1=O 72422432 PIWFBSNFHOIJMY-QGZVFWFLSA-N 367.514 5.394 0 40 FKAB COC(=O)c1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1Cl 79058177 GPHGPRPWOIASPA-NSHDSACASA-N 374.849 5.030 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1cccc2[nH]ccc12 96115171 ONIXTIGUGCERCP-LJQANCHMSA-N 363.848 5.110 0 40 FKAB biogenic Cc1c(F)cccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 98073324 FZXPBBBSNRPMQP-OAHLLOKOSA-N 361.416 5.107 0 40 FKAB c1ccc(CCn2c(-c3ccccc3)cs/c2=N/c2ccccc2)cc1 100836664 WDBCNSPMCVEOLL-WCWDXBQESA-N 356.494 5.692 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(C)cc1C 219325064 TWNNOSBDYUADHR-VQTJNVASSA-N 359.897 5.382 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc2ccccc2c1 222780642 YMZUKEGLQNHMDE-QGZVFWFLSA-N 361.485 5.221 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 223007659 RYDOQXRTCMNTPI-INIZCTEOSA-N 371.786 5.463 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)c(Cl)c1 223015049 YMMNXGHDXANLHA-INIZCTEOSA-N 356.224 5.237 0 40 FKAB S=C(NCc1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1 225372564 NJPOVJFUZCRSSW-UHFFFAOYSA-N 360.910 5.148 0 40 FKAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12)C1CC1 225837162 IAFHJOQOJRYJRT-OYHNWAKOSA-N 355.478 5.161 0 40 FKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 245238925 CLPGKLFDFQUHLE-DNNYETPZSA-N 360.538 5.166 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1C 409116374 KCESEPHZPDELLQ-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409121195 WZPPEMJEAWNKNZ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]23)c(Cl)c1 409190666 UXHVXEMUDFVVTH-OAUYIBNBSA-N 354.664 5.891 0 40 FKAB Cc1cc2c(cc1-c1ccnc3nc(C4CCC4)nn13)NC(C)(C)C[C@H]2C 575473108 GYAFOVCWHWVKSN-CQSZACIVSA-N 361.493 5.065 0 40 FKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc(Cl)cc1 1772081 JUWIKAXDPQBVFC-JZJYNLBNSA-N 358.919 6.023 0 40 FKAB Cc1ccc([C@H](CCNCc2ccco2)c2ccc(OC(C)C)cc2)cc1 2099539 HUBOVUBOIUBELR-DEOSSOPVSA-N 363.501 5.687 0 40 FKAB biogenic Clc1cc(Cl)cc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 2228022 UIXWQKQTCRRJHL-UHFFFAOYSA-N 367.239 5.742 0 40 FKAB CC(C)c1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1 3238805 VSHPRDQLOSZYEV-UHFFFAOYSA-N 359.510 5.144 0 40 FKAB CN(c1ncnc2sc(-c3ccccc3)cc12)[C@H]1CCCc2ccccc21 3440228 VCUYEUXOAJOCNH-FQEVSTJZSA-N 371.509 5.872 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4026084 HIAJCGFYHIANNA-LRUGSUGSSA-N 374.565 5.427 0 40 FKAB biogenic Clc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccccc2)c(Cl)c1 4712858 YMJVDVQIGJQSAK-SFHVURJKSA-N 373.308 6.411 0 40 FKAB CCCN1C(=O)C(C)=C(C)[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 4815606 FSXDTMSVEXQJEA-QHCPKHFHSA-N 374.484 5.473 0 40 FKAB Cc1cccc(NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)c1C 6968147 NZHSPWRAJXSUAG-UHFFFAOYSA-N 370.909 5.011 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2o1 8028985 GERGDEUXZAZXOK-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 8051066 XZQRZNBUCNHARO-SFHVURJKSA-N 361.441 5.502 0 40 FKAB c1csc(-c2ccc(Nc3ncnc4sc5c(c34)CCCC5)cc2)n1 8150696 DXQZCQOUGXGRMN-UHFFFAOYSA-N 364.499 5.437 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3sc4ccccc4c3Cl)on2)cc1 9194939 UMRQRPLZRFONRK-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1 10156569 XBGCROBYEOMNJP-GOSISDBHSA-N 357.457 5.058 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CSc2ccccc2)cc1 10449637 JTSWICIZQNZZSW-KRWDZBQOSA-N 359.494 5.570 0 40 FKAB CC(=O)c1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)sc2C)c1 11865753 FZVROUATEOHKJX-UHFFFAOYSA-N 370.861 5.227 0 40 FKAB CN1/C(=C\C(=S)Nc2cccc3ccccc23)C(C)(C)c2ccccc21 12524252 ZRYLWVHWQRHXGX-QNGOZBTKSA-N 358.510 5.891 0 40 FKAB CC(C)[C@H](C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)NCc1ccco1 13682152 ZYXKVLNBYOOWPU-UPVQGACJSA-N 369.549 5.602 0 40 FKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 14401658 KPMRPESMQXRVRP-HNNXBMFYSA-N 351.377 5.024 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN([C@@H](C)c1ccccc1)C3 20609880 BTMXKFUSJFHESO-INIZCTEOSA-N 363.457 5.049 0 40 FKAB biogenic CC(=O)Nc1ccc(SCc2nc3ccccc3c(C)c2Cl)cc1 20684891 UVLBQNXUVCWSND-UHFFFAOYSA-N 356.878 5.447 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NC1CCCCCCC1 22245534 ZWOYCPOCCWJIKX-UHFFFAOYSA-N 357.523 5.062 0 40 FKAB Cc1cc(C)cc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn23)c1 27585597 CPRVEXQXNHERKC-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB Cc1ccccc1OCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 27794143 XOPZVFVCKFQSRZ-UHFFFAOYSA-N 357.409 5.426 0 40 FKAB Cc1cc(C)n(-c2cccc(NC(=O)c3occc3-c3ccccc3)c2)n1 32916007 RMNXGUBOMIKUDY-UHFFFAOYSA-N 357.413 5.001 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 34553987 TUPDNAUFOQVZDL-IIBYNOLFSA-N 354.519 5.159 0 40 FKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2cc(Cl)ccc2Cl)cc1 35671913 NFQKSSSOBNAYDD-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB CC1=C(C)[C@]2(C)[C@@](C)(OC(=O)c3ccc(Br)cc3)[C@@H](C)[C@]12C 45028149 XCKBIRVNXHZZSU-VKOGCVSHSA-N 363.295 5.377 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 59294220 ASTRWKDLKYGELY-QGZVFWFLSA-N 367.533 6.294 0 40 FKAB Cc1cc(C)c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 59294270 JHDMHNQQDYOADW-UHFFFAOYSA-N 353.506 5.705 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 72214995 GLBJRQHKZBVNLG-GOSISDBHSA-N 361.530 5.170 0 40 FKAB C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102181151 RETFDUUCTYPBBO-AYGWYOGXSA-N 368.329 5.763 0 40 FKAB O=C(NCCC1=CCCCC1)c1cccc(OCc2ccccc2Cl)c1 219838428 ABSNBZSRSSQDNA-UHFFFAOYSA-N 369.892 5.539 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223140742 GGHHWGKTNFYHGA-OAQYLSRUSA-N 355.909 5.419 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225821096 HURRDZPYSFMQGR-SBUREZEXSA-N 371.521 5.797 0 40 FKAB O=C(NCCc1ccc(-c2ccsc2)s1)c1cc2ccccc2o1 575414096 TZSWMKNSKVUQCP-UHFFFAOYSA-N 353.468 5.195 0 40 FKAB Nc1ccc(C(=C(c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1 1857791305 FZIHVNZJLMYTFH-UHFFFAOYSA-N 362.476 5.858 0 40 FKAB COc1ccc2c(c1)[C@@H](O)[C@@H]1CC=C(C)[C@H]3CC(C)(C)[C@@H]3CC[C@@]1(C)O2 2037849727 ALHKXMHMXLWFNS-CPHWIANGSA-N 356.506 5.288 0 40 FKAB COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1C 854249 HXGWIGSUZBSABD-UHFFFAOYSA-N 368.738 5.449 0 40 FKAB Cc1cc(Nc2ccc(I)cc2)c2cccc(C)c2n1 946581 QFIOEIIXLCONNE-UHFFFAOYSA-N 374.225 5.200 0 40 FKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(F)cc4)coc3c12 2145389 IZLIPLYUJTYCMD-UHFFFAOYSA-N 350.389 5.996 0 40 FKAB biogenic Cc1cccc(C)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 2659625 PIRISAYGCSDIPC-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB COc1cccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)c1 2662473 JBLQDOHSRFIBAI-UHFFFAOYSA-N 352.459 5.160 0 40 FKAB COc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 3239669 QRGDGERWELHNQM-UHFFFAOYSA-N 359.838 5.116 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 3326764 COFMQRZDJIBBLR-ZIAGYGMSSA-N 366.288 5.255 0 40 FKAB S=C(Nc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 3896886 MIKHPGBONORWBH-UHFFFAOYSA-N 362.542 5.963 0 40 FKAB O=C(Nc1ccc(CC23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 3899126 UFJGKPSEHLDKLI-UHFFFAOYSA-N 363.476 5.837 0 40 FKAB Cc1cccc2sc(NC(=O)c3ccccc3Oc3ccccc3)nc12 4070001 ZOXKHINPUOLDPR-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(NCCCNC(C)(C)C)c2c1C 6084927 LIYHRDZTJKHAGC-UHFFFAOYSA-N 374.579 5.227 0 40 FKAB O=C(NCC1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 6225559 LNGVKUVQTWEYSP-UHFFFAOYSA-N 373.949 5.942 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(Cc2ccccc2)n1 6240357 IDZSZRJRXDDPIO-UHFFFAOYSA-N 363.269 5.293 0 40 FKAB CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(OCC)cc2)CC1 6767607 JDRWGWIYJPSWHC-UHFFFAOYSA-N 371.481 5.070 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 6786127 YTAIDFUCEVVVSB-UHFFFAOYSA-N 357.478 5.873 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 6940273 XAYKGVJZLWUJRQ-SFHVURJKSA-N 374.484 5.203 0 40 FKAB COc1ccc(-c2nc(CSc3ccc(NC(C)=O)cc3)cs2)cc1 7028523 OWBOOWBBHSHHKX-UHFFFAOYSA-N 370.499 5.069 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)COc3ccc4ccccc4c3)nc12 9141230 QUTCQHDNWOCPBR-UHFFFAOYSA-N 362.454 5.084 0 40 FKAB c1ccc(C2=NNc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1 9359907 IDKLMAOJLRGKGN-UHFFFAOYSA-N 350.425 5.047 0 40 FKAB FC(F)(F)c1cc(-c2ccccn2)nc2c(-c3ccc(Cl)cc3)cnn12 9925824 IYNSFIOOKFCPJV-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)c1 9935843 XFSQDMRPLKLGOU-OAHLLOKOSA-N 363.848 5.095 0 40 FKAB Cc1cc(C)cc(CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 15494614 NBSPCNXANBMOMO-CQSZACIVSA-N 367.436 5.583 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(F)c(Cl)c2)s1 15840170 VWURLYRMNLRNJJ-UHFFFAOYSA-N 366.870 5.154 0 40 FKAB C(=C\C(SCc1ccccc1)SCc1ccccc1)\c1ccccc1 17222869 CNHUOVMDLVOTFW-MSUUIHNZSA-N 362.563 6.893 0 40 FKAB CC(C)Oc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1 19450706 ZTFIFVCIXCKXJJ-GOSISDBHSA-N 358.532 5.065 0 40 FKAB CCN1CCC[C@H]1CN[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 19802436 YFPIRWFEOJUQFS-PKOBYXMFSA-N 372.965 5.162 0 40 FKAB Cc1ccc(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)cc1 22053823 LVYHWJLLSITPDF-UHFFFAOYSA-N 372.255 5.693 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(CSc2ccccc2)cc1 23680016 PBBSKPIBNGFLDE-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB O=C(Nc1nc(-c2ccccc2)ns1)c1sc2ccccc2c1Cl 27793350 MFZGPNCMYLMZTH-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB Cc1ccc(C(=O)N(C)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27793469 WDRGWJZZRJREHX-XMMPIXPASA-N 368.480 5.646 0 40 FKAB Cc1ccc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)s1 84205532 HLDLZDMXCFCDOG-QGZVFWFLSA-N 350.325 5.450 0 40 FKAB Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 95939700 JKFIEQUXGQBZGP-HOTGVXAUSA-N 352.821 5.046 0 40 FKAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1Cl 223566515 HFPVLRKMYCYMOO-OAQYLSRUSA-N 365.860 5.176 0 40 FKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC 224705672 CSQXQXPXSZBRJG-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1Cl 225372146 HGMKWTPIIOXDEG-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCO[C@](C)(C(=O)Nc1ccc(OCc2ccccc2)c(C)c1)C1CC1 225673858 RGGPYDKDTWBCST-QHCPKHFHSA-N 367.489 5.108 0 40 FKAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccc(-c2ccsc2)cc1 225751609 OKQQEBSJDZHYEJ-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)C(C)C 225761905 CSCNFRWIXLRQAJ-HXUWFJFHSA-N 356.535 5.466 0 40 FKAB Clc1ccc2c(c1)[C@H](O[C@H]1CN3CCC1CC3)c1ccccc1CS2 702160 BMQGWQJMFCYXPU-PZJWPPBQSA-N 371.933 5.146 0 40 FKAB Cc1cc2nc(-c3ccc(SCc4ccccc4F)nc3)[nH]c2cc1C 1329603 GYZRXXSIKZBERE-UHFFFAOYSA-N 363.461 5.673 0 40 FKAB CCn1c2ccccc2c2cc(NC3=Nc4cccc5cccc3c45)ccc21 3195857 WPFJTVVXHNTAQV-UHFFFAOYSA-N 361.448 6.471 0 40 FKAB Clc1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3211239 BZGSCMZTEYACIZ-VQTJNVASSA-N 360.848 5.231 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)c1nnc(-c2ccccc2)o1 3219875 WUENNNWIUJLWIS-UHFFFAOYSA-N 354.409 5.142 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1 3655298 CDYPTNQZXCPVAY-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4656180 YREKUTRUZDJUJZ-OAQYLSRUSA-N 360.844 5.332 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1cccc(Cl)c1 5681758 ZSODRMXOVWJPTJ-UHFFFAOYSA-N 363.888 5.221 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 8040666 UPVBCRNVCQTBIY-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 15867399 UVSDGDIZRSGNKE-UHFFFAOYSA-N 369.848 5.488 0 40 FKAB CSc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 32744442 VGWUZFAIQBWLBW-UHFFFAOYSA-N 358.463 5.008 0 40 FKAB CC(C)c1ccc(CN(C(=O)Cc2coc(-c3ccccc3)n2)C2CC2)cc1 32836841 FRQFLJHUYLRGJG-UHFFFAOYSA-N 374.484 5.199 0 40 FKAB COc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)cc1 40216901 LFKPGXUMUCIKBC-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB Clc1cccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)c1 67321877 FGTRTLXWNCVKRR-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 71280864 CFHCHKDKDCXRMK-AWEZNQCLSA-N 355.825 5.501 0 40 FKAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccc(F)cc1 85397556 HRZHMNAOSBGPDS-UHFFFAOYSA-N 371.433 5.013 0 40 FKAB CCCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1Br 106964817 KCNITVXLYZRWPK-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214400981 RHOABLQEVHLYRP-OVCLIPMQSA-N 364.253 5.230 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 216366744 YSVBPBIUCQDPQD-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 218934586 YCNMIXORZODMMB-NRFANRHFSA-N 353.506 5.247 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222959101 ITUHWYIGVXZRCX-QZTJIDSGSA-N 373.496 5.363 0 40 FKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2c3c(cccc13)CC2 225199305 VQJIXACPYQIBCY-INIZCTEOSA-N 371.480 5.223 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409010432 DXKYJFLNLCQAHB-XDUBLRSXSA-N 373.499 5.574 0 40 FKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2)c1 409248442 GOWLLCINOZFRCM-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB O=C1C[C@H](c2cccc(Oc3ccccc3)c2)c2ccc3ccccc3c2N1 792921 GUMMGLSSSZZSHJ-HSZRJFAPSA-N 365.432 6.106 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](CC)C2 1102490 ZEKQYEDVASHFMD-AWEZNQCLSA-N 371.502 5.000 0 40 FKAB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 1264299 UUIWBWRSTJHLDX-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB Clc1ccc(-c2nc3ncccc3n2OCc2cccc(Cl)c2)cc1 1396592 CUXIXQSTZGUVJR-UHFFFAOYSA-N 370.239 5.034 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1F 1401512 TVLJSOOJRZBLBK-UHFFFAOYSA-N 355.409 5.509 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 2069853 MSYWLAIENKVANG-HNNXBMFYSA-N 366.933 5.271 0 40 FKAB Clc1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1Cl 2267246 RGFBAHFAUYNWSD-UHFFFAOYSA-N 372.299 6.348 0 40 FKAB O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc2ccccc2c1 2622526 XXCDTPXQJDJGMB-UHFFFAOYSA-N 361.828 5.664 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(C2CCCCC2)cc1 3193818 AAGCXAPFLDCKQV-UHFFFAOYSA-N 369.464 6.886 0 40 FKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(F)c(F)cc1Cl 3226196 QPYUCKZGFSYHHT-UHFFFAOYSA-N 359.759 5.663 0 40 FKAB O=C(COC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)s1 3289181 PNHQAOZIQPFXMY-UHFFFAOYSA-N 371.266 5.309 0 40 FKAB COc1ccc(C2(O)c3ccccc3Oc3ccccc32)c2ccccc12 4026000 NVYAYLFUCATPNN-UHFFFAOYSA-N 354.405 5.238 0 40 FKAB biogenic COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(C)CC2)cc1 4282017 PWCXADYVWDUXAJ-JCVMYPOKSA-N 362.473 5.145 0 40 FKAB Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 4551078 KSOMBIXUXNINCH-BZZOAKBMSA-N 354.409 5.226 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)oc1ccccc12 4718800 LCMXGWFWCYBZDA-UHFFFAOYSA-N 365.816 5.565 0 40 FKAB CCc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1 5460839 WXQKMEKGFHCGIX-UHFFFAOYSA-N 360.442 5.107 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1nc2ccccc2s1 6496683 OPPRRHTXISHMOR-UHFFFAOYSA-N 371.421 5.357 0 40 FKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 6649506 LKWKFUGNEPMKCR-UHFFFAOYSA-N 372.468 5.136 0 40 FKAB Cc1ccc(-c2c(NC(=O)C3CCCCC3)n(C)c3ccccc3c2=O)cc1 6804518 RVJPESZWNJHGIH-UHFFFAOYSA-N 374.484 5.033 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 7072943 VPDGADZVIPMWBJ-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1 7098709 JANVCUMFUYBFNQ-UHFFFAOYSA-N 374.896 6.620 0 40 FKAB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)c(C)c1 8368631 ILGMYZMOVLWQPT-ZVHZXABRSA-N 359.425 5.331 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1Br 8497200 DYEBAFYEOOUBLQ-UHFFFAOYSA-N 350.281 5.202 0 40 FKAB Cc1ccc(-c2csc3ncnc(Nc4ccccc4Cl)c23)cc1 9167814 ALQYVJYTJSASFS-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB COc1cccc2c(Nc3ccc(Cl)c(C(F)(F)F)c3)cc(C)nc12 9553792 PWVIPBCANRYEBN-UHFFFAOYSA-N 366.770 5.968 0 40 FKAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nccs2)cc1 9734944 YZGSUQWJKFBOAK-HNNXBMFYSA-N 366.486 5.341 0 40 FKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 12193779 QMZBKBSVBVMWLO-UPVQGACJSA-N 370.452 5.246 0 40 FKAB COc1cc(OC)c(NC(=S)Nc2ccc(C)c(Cl)c2)cc1Cl 13933225 GEJNZAYJUVTSKZ-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB CC[C@H](C)c1ccccc1O[C@H](CC)CNc1cccc(OCC(C)C)c1 19738312 OEXTVLGJKMOKSN-PZJWPPBQSA-N 369.549 6.504 0 40 FKAB O=C(Cn1ccc2ccccc21)N1c2ccccc2Sc2ccccc21 33731490 MMBZETWNROZJJU-UHFFFAOYSA-N 356.450 5.471 0 40 FKAB FC(F)(F)C1=CCC(Cl)=N[C@H]1c1cc(Cl)ncc1C(F)(F)F 36399384 OCNPSHJORPAQJV-JTQLQIEISA-N 363.088 5.325 0 40 FKAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1cccc2ccccc12 36649138 FYBSSKUTJOIYNE-UHFFFAOYSA-N 374.827 5.113 0 40 FKAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCCCCC2)cc1 222880216 DYEQQRCRGKWXEK-UHFFFAOYSA-N 372.512 5.146 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1C(C)C 223390352 QSDXXFDOTNDFPU-SFHVURJKSA-N 353.506 5.543 0 40 FKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COC(C)C 224425422 WBNQFRYBVRVLJP-UHFFFAOYSA-N 368.260 5.179 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224854781 JBKXAIHNWVWTQW-AWNIVKPZSA-N 363.379 5.535 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(OCCC)CCCCCC2)cc1C 225660257 IJYYOHHWORFXRD-UHFFFAOYSA-N 361.526 5.550 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769898 YQGLKRISRXDKRQ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl 408619257 ATRGPCZHNCLJHU-UHFFFAOYSA-N 364.150 5.273 0 40 FKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc2c(Cl)cccc12 408629168 NKPGDDFUKJJNMY-UHFFFAOYSA-N 372.855 5.731 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2-c2ccc(C)cc2)cc1 408723994 BVLBLWQXDQAPNR-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCSc2ccc(Cl)cc2)cc1 409026781 YADUQEDNECSZLF-AWNIVKPZSA-N 373.949 5.559 0 40 FKAB Cc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)c(C)c1 409119515 WVYXUYLQWPQWDF-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1O 409135866 SPPDQACUYXCUPL-UHFFFAOYSA-N 370.674 5.127 0 40 FKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1F 723760 HKECYKHDGDGMDJ-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB CCc1ccc([C@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N2C(C)(C)C)cc1 2177891 HFPWHXPHRIZNNQ-JOCHJYFZSA-N 363.505 5.079 0 40 FKAB CC(C)Oc1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1 2236421 BFGFEDPSNFLSAO-UHFFFAOYSA-N 361.489 5.829 0 40 FKAB CCCCCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2306663 VJXBANVTPFTJOT-UHFFFAOYSA-N 371.506 5.050 0 40 FKAB Cc1ccc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1C 2623878 YSTWMPPMRDRLCV-UHFFFAOYSA-N 355.290 5.044 0 40 FKAB Cc1ccn2c(Nc3ccccc3C)c(-c3ccc(N(C)C)cc3)nc2c1 3911577 HTUBGKUOFMRBSP-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(Oc2ccccc2)cc1 4063219 PGBACTAMQDZYCQ-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 4672102 MGSNUEFAKMFXCP-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB CSc1nc(Cl)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 5026005 VCXNLRPTTBIZIY-UHFFFAOYSA-N 363.939 5.302 0 40 FKAB CCCCCCC1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(Cl)cc1 5711673 KLBPIDLYDHSJTG-RBBKRZOGSA-N 368.908 6.504 0 40 FKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 6215888 HYPJLFLCMVZNSJ-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 6357455 CXBQJDICKILMIE-UHFFFAOYSA-N 350.506 5.222 0 40 FKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1Cl 6532164 KCWJGMFDQKIQHH-AWEZNQCLSA-N 369.921 5.711 0 40 FKAB CCOC(=O)c1ccc(-c2ccc(CNC(C)(C)CC(C)(C)C)o2)cc1 7520573 UVYDCDSMAUYQFD-UHFFFAOYSA-N 357.494 5.428 0 40 FKAB COc1c(Cl)cc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1Cl 8903538 FCIJLOLIOJQUMN-UHFFFAOYSA-N 369.639 5.184 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 9141131 LVWYYALYCNDVNA-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1Br 10542614 KRDWQEMVQUWMFI-UHFFFAOYSA-N 360.251 5.023 0 40 FKAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 12531107 UZBAVEOZPFBJFT-QGZVFWFLSA-N 362.477 5.208 0 40 FKAB Cc1cc(C)c2nc(S[C@H](C)C(=O)N(C)c3ccccc3)cc(C)c2c1 12532461 KYSCOEDYFPVLKZ-QGZVFWFLSA-N 364.514 5.304 0 40 FKAB CC(C)(C)N[C@H]1C=C(c2ccccc2)Sc2nc(-c3ccccc3)cn21 20467975 FKJSRUCOJAJJAH-HXUWFJFHSA-N 361.514 5.584 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 20488421 OIOZPHWVPHGFGC-CQSZACIVSA-N 358.652 5.443 0 40 FKAB Fc1ccccc1COc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1 22073838 LPLJUGIMWMOYFW-UHFFFAOYSA-N 365.492 5.463 0 40 FKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 28286942 SMROIHUXIZOUFG-UHFFFAOYSA-N 353.487 5.481 0 40 FKAB C[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccc1OC(F)F 29137825 PRFLOOWOFXEYFR-SNVBAGLBSA-N 365.376 5.133 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 30755846 URKUFODMHATCQF-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccccc2c(=O)[nH]1 32911016 UHYANQMYYPZHOY-UHFFFAOYSA-N 352.503 5.130 0 40 FKAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc3ncccc23)cc1 40047358 OSRFJIZXUQBIIS-JOCHJYFZSA-N 360.457 5.001 0 40 FKAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1nc(Cl)ccc1Cl 58391950 HRDPNHIFDXNXSJ-UHFFFAOYSA-N 364.276 5.385 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351365 FOKPYENGINXGBC-MBSDFSHPSA-N 361.485 5.491 0 40 FKAB COc1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1 67192494 WHHQGQUNZCAUMU-UHFFFAOYSA-N 361.264 5.325 0 40 FKAB Cc1cc2nc(-c3cccc4c(Br)cccc34)oc2cc1C 73639148 RLMFXMLJASYSHY-UHFFFAOYSA-N 352.231 6.027 0 40 FKAB Cc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1C 107040649 CFQNGBWRUQTDRT-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118919251 OKMHWOWJDRPCCT-JZTHCNPZSA-N 356.506 5.165 0 40 FKAB biogenic Cc1nc(-c2ccccc2NC(=O)c2cc3ccccc3s2)cs1 206896112 BVHHEPSJKVBXCQ-UHFFFAOYSA-N 350.468 5.586 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223098263 IQLVNQBKNHCELC-VXKWHMMOSA-N 369.480 5.129 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 224603992 JFTWTMVBEVVVHR-MRXNPFEDSA-N 359.425 5.609 0 40 FKAB Cc1cccc(CSc2nnc(NC(=O)c3cc(C)ccc3C)s2)c1 225054544 FEZXXNSDVCUFDM-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(Cl)c(Cl)c1 225328592 CNZVBGHEWDWTAA-UHFFFAOYSA-N 350.289 5.997 0 40 FKAB CCOc1ccc(C(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1C 225421929 AXKKSCFKYHLTAB-IBGZPJMESA-N 367.489 5.206 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544368 CIXFTEHKVPGJPY-KRWDZBQOSA-N 369.480 5.844 0 40 FKAB CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@@H](C)C1 225809947 VDFWQDLNRKXSTQ-ZHRRBRCNSA-N 355.478 5.161 0 40 FKAB O=C(Nc1ccccc1F)c1cc(Cl)ccc1OCc1ccccc1 408587082 PWJRNFPIJKBQGP-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB COc1ccc2c(c1)Cc1sc(=Nc3cc(Cl)cc(Cl)c3)[nH]c1-2 408881780 OMVPPKAKPRNVIM-UHFFFAOYSA-N 363.269 5.195 0 40 FKAB COc1ccc(-c2[nH]c(=Nc3ccc(Cl)cc3Cl)sc2C)cc1 409050475 WFZUORHUNDIVRB-UHFFFAOYSA-N 365.285 5.599 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 409103372 BGECOJOILCDOAC-WQRHYEAKSA-N 353.830 5.685 0 40 FKAB CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 1547139854 CRRKVZVYZQXICQ-ZFGLVRGFSA-N 358.522 5.086 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(F)cc23)c1 862441 WGKNVJSDTHNGHR-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 905787 SHDVWPKMTBMXQF-UHFFFAOYSA-N 374.440 5.411 0 40 FKAB O=C(Oc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 1621428 RGPNGUWAEKRPGP-UHFFFAOYSA-N 353.215 5.335 0 40 FKAB O=C(c1ccccc1)[C@@H]1Nc2ccc(Cl)cc2[C@H]2c3ccccc3C[C@H]12 1628639 XUTQDVBWBVTKPY-KSEOMHKRSA-N 359.856 5.321 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1 3325906 CLOMVEFKEOFREN-UHFFFAOYSA-N 357.523 5.319 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Oc1cc(Cl)ccc1Cl 3360374 BRVNORLCYRUXPY-UHFFFAOYSA-N 371.263 6.121 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(Cl)c(Cl)c1 3389806 ZBWVWTSISTXBRN-LBPRGKRZSA-N 353.318 5.301 0 40 FKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(F)cc1 3647729 CUUCCNOESPPGOS-JOCHJYFZSA-N 365.448 5.298 0 40 FKAB Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccccc1)OC(c1ccccc1)=N3 4709476 PYTKDAPOJXXMAV-FQEVSTJZSA-N 370.477 6.111 0 40 FKAB Cc1nc2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2s1 6216203 AYKFRDDDTMWDSG-UHFFFAOYSA-N 372.449 5.481 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc21 6354242 UJJFVESYMIXTPY-SDNWHVSQSA-N 374.871 6.120 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 6519904 PQIKHQUPXLROPU-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB C[C@@H]1CCc2cc(F)ccc2N1C(=S)Nc1cccc2ccccc12 6571789 VANGIRJOYACLAW-CQSZACIVSA-N 350.462 5.517 0 40 FKAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N1CCCc2ccccc21 6881294 WAMTVHJHXRMMII-CQSZACIVSA-N 368.527 5.022 0 40 FKAB CCCCCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 7390413 WZRYAOGEWWQGTK-UHFFFAOYSA-N 374.484 6.252 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 8040668 UPVBCRNVCQTBIY-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)C3CCC3)sc2c1 8156235 MFOXCNNSAADOKY-UHFFFAOYSA-N 366.486 5.028 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 8335532 IPPPFDUOOUQJIR-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB Cc1nc(Nc2ccc(Cl)cc2)sc1C1=NO[C@H](c2ccccn2)C1 8715900 IKDFLHZGNYXLFU-INIZCTEOSA-N 370.865 5.109 0 40 FKAB Cc1cc2nc(-c3cc(NC(=O)c4ccccc4)cc(C)c3O)oc2cc1C 9053315 DEAPTQTZGJYSFE-UHFFFAOYSA-N 372.424 5.378 0 40 FKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)c1 9660052 AZICUKYBDASKGL-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic c1cnc2c(CSc3nnc(-c4c[nH]c5ccccc45)o3)cccc2c1 11300540 KAFRSWBBNQXVPS-UHFFFAOYSA-N 358.426 5.058 0 40 FKAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccccc1 12618096 JXNQCZZVMCXMTQ-UHFFFAOYSA-N 368.436 5.580 0 40 FKAB CN(C(=O)c1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835528 VDQKEDIWFKDQRJ-FQEVSTJZSA-N 364.445 5.230 0 40 FKAB Cc1ccc(C)c(COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)c1 17026151 MFVRMEDWOWMLFU-SFHVURJKSA-N 360.501 5.667 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(F)cc1Cl 20836303 HBBRFQZCOQJHAL-UHFFFAOYSA-N 356.809 5.494 0 40 FKAB Cc1cc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c(C)o1 27922701 JCEPFKKKPLOQBN-UHFFFAOYSA-N 373.456 5.164 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 32622527 DIOUTYDOOPVLMQ-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Cl)cc1Cl 45889046 ZHBSVXLIKBMHRD-UHFFFAOYSA-N 366.273 5.054 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(Cl)ccc1Cl 48544535 QUNBKFUYWRRPFA-DHZHZOJOSA-N 358.224 5.905 0 40 FKAB CN(c1ccccc1)c1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 57773350 RZDFQPMQHBCRNN-UHFFFAOYSA-N 357.369 5.511 0 40 FKAB Cc1ccc(-c2csc(C(=O)NC3CCCCC3)c2-n2cccc2)cc1 64472598 PMEDGZDUNBTHOP-UHFFFAOYSA-N 364.514 5.577 0 40 FKAB Cc1cccc(Cl)c1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760897 AGRWLNMTYRTZNQ-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB CSc1ccsc1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957258 NSSXYQPZWLYILI-UHFFFAOYSA-N 369.515 5.094 0 40 FKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NC1CCCCCC1)n2C 96037359 CFNCCGKDGGBDSI-UHFFFAOYSA-N 351.494 5.167 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118931449 UTGYMZAUDAYPOM-VANMJNHGSA-N 370.665 8.274 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C 223398539 BAHYXNBPRPRIMP-MRXNPFEDSA-N 361.938 5.376 0 40 FKAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 224683203 CBCXURSQBLUDIU-UHFFFAOYSA-N 367.470 5.003 0 40 FKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2c3c(cccc13)CC2 225199265 VQJIXACPYQIBCY-MRXNPFEDSA-N 371.480 5.223 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225665544 SWAQUYDFJCLNTF-VGSWGCGISA-N 361.526 5.344 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 250113052 JYTFDKSVRVWORY-QVSQXXKZSA-N 353.849 5.335 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 257341566 ZKXKIYXRBBQTTE-FQEVSTJZSA-N 374.459 5.216 0 40 FKAB COc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1C(C)C 408812694 NIZHRKAEKXKVIS-UNOMPAQXSA-N 367.470 5.368 0 40 FKAB COc1ccc(/C=C/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409188564 DJSWHWGDOSCZLS-GFJWLWTISA-N 371.845 5.146 0 40 FKAB Fc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409188822 GNBXYJBKDHBUOQ-FHLIZLRMSA-N 362.242 5.223 0 40 FKAB CCc1nc(-c2ccc(Cl)cc2OCc2ccccc2)ccc1C(=O)O 585264957 CENMVKPXEGOGDW-UHFFFAOYSA-N 367.832 5.242 0 40 FKAB c1ccc(CN2CCC([C@@]3(C4CCCC4)NCCc4ccccc43)CC2)cc1 1776011402 KPDOPSNYKNQJKW-AREMUKBSSA-N 374.572 5.130 0 40 FKAB Cc1csc2nc(-c3ccccc3)c(Sc3ccc(Cl)cc3)n12 719566 IHHGRRRGSZRIKB-UHFFFAOYSA-N 356.903 6.176 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1 859809 YRTXYJROQNFQHK-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc2ccccc12 1263165 HYVVVPRTSNUGMR-OAHLLOKOSA-N 362.498 5.480 0 40 FKAB Cc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c(C)c1 1437024 YKBQATXAKYFIBZ-KKJDJVAASA-N 367.492 5.785 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 1462109 MHLNDZZYOHVPRI-KRXBUXKQSA-N 371.061 5.408 0 40 FKAB CC(=O)c1ccccc1[C@H](C)c1ccc(Br)c2ccccc12 1722281 HSPMSMQEQJDROB-ZDUSSCGKSA-N 353.259 5.957 0 40 FKAB Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)c(C)c1 2119110 PHYIEVMTKBAMLA-LKUDQCMESA-N 369.420 5.678 0 40 FKAB biogenic CCOC(=O)C(C)(C)Sc1ccc(C(=O)c2ccc(Cl)cc2)s1 2172964 GSRABTRLOXJLCV-UHFFFAOYSA-N 368.907 5.066 0 40 FKAB C[C@@H](NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 2262238 LOSGSTOVRAKYCY-MISYRCLQSA-N 357.563 5.778 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1cc(Cl)ccc1Cl 2517202 DMABYCKEMJLARC-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1F 2636422 KCYJHYPYGBYQLM-UHFFFAOYSA-N 364.656 5.517 0 40 FKAB Clc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1Cl 2645598 OOXQNZZMHJGBSI-UHFFFAOYSA-N 373.264 6.457 0 40 FKAB Cc1ccccc1Sc1nc2ccccc2cc1-c1ccc(Cl)cc1 3049397 YASLUPAAHFLFPR-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)/C(=C/c1ccco1)c1ccccc1 3314926 ZBDGLNHSJSVTQL-PTGBLXJZSA-N 365.432 6.126 0 40 FKAB COc1cc2ccccc2cc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 3619125 SNEZFQHZTNEUIP-UHFFFAOYSA-N 371.223 5.872 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1Oc1ccccc1 4077596 WAYXXRLXCZPUJE-UHFFFAOYSA-N 364.401 5.480 0 40 FKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2F)cc1 4614625 UZBUKLUTHPYWOC-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 4675561 YHGUHQOMDYGUBM-UHFFFAOYSA-N 372.896 5.370 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3cc(Cl)ccc3Cl)oc2C)no1 5033173 CLTYTAZULZXRGT-UHFFFAOYSA-N 351.189 5.111 0 40 FKAB O=c1[nH]c2ccccc2c(O)c1Sc1cc(Cl)c(Cl)cc1Cl 5409311 FWPXUBAZTWDTMK-UHFFFAOYSA-N 372.660 5.345 0 40 FKAB COc1ccc(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2)cc1Cl 5934313 PDAKYQSMFOHXOM-FQEVSTJZSA-N 366.848 5.141 0 40 FKAB CCCCCc1ccc(-c2ccc([C@@H]3CC[C@H](CCC)[C@H](C)C3)cc2)nc1 6026186 BEBHGHCGTNWFFH-JLRUASKGSA-N 363.589 7.801 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1 6342775 DVSNFSKZRIFUMV-UHFFFAOYSA-N 360.482 6.044 0 40 FKAB Cc1sc2nc([C@@H](C)Oc3cc(Cl)ccc3Cl)[nH]c(=O)c2c1C 6974742 NNSUWCATFGZLCX-MRVPVSSYSA-N 369.273 5.048 0 40 FKAB O=C(/C=C/c1cccs1)N(c1ccccc1)c1nc2ccccc2s1 7271271 DZVLOXZTOXYDFT-OUKQBFOZSA-N 362.479 5.736 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 8335569 FYNTUUZQKRFCII-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Ic1ccc2c(c1)[C@@H]1c3cccc4cccc(c34)[C@@H]21 8448401 JKFPYEGOQFMNLZ-MSOLQXFVSA-N 354.190 5.035 0 40 FKAB CCOC(=O)c1oc2ccccc2c1CN[C@@H](c1cccs1)C(C)C 9112710 PDQGKOVNZQLMQK-GOSISDBHSA-N 357.475 5.158 0 40 FKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1Cl 10408807 AODXWVORGXRMRQ-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(C)cc3)c2c1 11866412 JLIGTQHCBKDCEI-UHFFFAOYSA-N 357.409 5.669 0 40 FKAB biogenic C[C@H]1CC(=O)c2c(OCc3coc(-c4ccc(Cl)cc4)n3)ccc(F)c21 12770278 HXPCDYQBOBMFLJ-NSHDSACASA-N 371.795 5.403 0 40 FKAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1NC1CCCCCCCCCCC1 13896007 OMJTVXLIJOZBKW-HSZRJFAPSA-N 374.613 6.088 0 40 FKAB C[C@@H](SCc1ccc(F)cc1Cl)C(=O)Nc1cc(F)ccc1F 15492353 QSVJIJPKCPVJGH-SECBINFHSA-N 359.800 5.018 0 40 FKAB Fc1ccccc1COc1ccc(Cl)cc1CNCc1cccs1 16450030 VPCVKDJNZRPDLC-UHFFFAOYSA-N 361.869 5.409 0 40 FKAB Brc1ccc(-c2nnc(SC/C=C/c3ccccc3)o2)cc1 21176570 MHDVEIHWYLTGHY-QPJJXVBHSA-N 373.275 5.305 0 40 FKAB O=C(O)c1cc(/C=C/c2ccc(F)cc2)nc2ccc(Br)cc12 22145247 UTBXUAKTXDJPAG-XVNBXDOJSA-N 372.193 5.005 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(C)c1 22533197 UIRNBYQOYXDLFB-UHFFFAOYSA-N 370.496 5.427 0 40 FKAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCCC2)ccc1C(C)C 23077442 BLSNPERSEFGQCH-UHFFFAOYSA-N 366.505 5.126 0 40 FKAB CC[C@H](C)CO[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@@H](C)CC 27792439 BSQWVXZDAUXJLE-YDHSSHFGSA-N 364.533 6.235 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 38771143 REVBJKQBBNSQSS-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 38771901 TUCQCEVXJSNYGK-SFHVURJKSA-N 368.521 5.058 0 40 FKAB Cc1csc(Sc2ccc(NC(=O)N3CCCCCCC3)cc2)n1 58390759 YQFIUNGJCCKOAS-UHFFFAOYSA-N 361.536 5.401 0 40 FKAB O=C1CC[C@@H](Sc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 65090574 AVBBTMMRNYBDIZ-FYYLOGMGSA-N 359.494 5.716 0 40 FKAB Cc1ccc(-c2nc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc3n2)cc1 100277509 GNIXFRMKQXXUEV-UQBPGWFLSA-N 371.528 6.010 0 40 FKAB Cc1cccc(Nc2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)c1 223959599 DMABBVJXPAGYKJ-MRXNPFEDSA-N 362.502 5.181 0 40 FKAB Cc1ccccc1[C@H]1CCN(C(=O)c2cccc3ccccc23)CCS1 225741833 FLMHUGJHJKJZQP-JOCHJYFZSA-N 361.510 5.469 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248332400 IRMKYIKRTDTRSN-GZEZKRSXSA-N 361.485 5.387 0 40 FKAB Cc1ccc(-c2cc(C(F)F)nc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)n2)cc1 253387741 UMQLOZXZOBPZCA-ZHRRBRCNSA-N 371.475 5.795 0 40 FKAB Cc1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408623413 TZGYJYOMMMPCQY-VQHVLOKHSA-N 372.251 6.214 0 40 FKAB Cc1c(-c2csc(NC(=O)c3cccs3)n2)oc2ccc(F)cc12 1775965016 QAWFZRGZVQOHQG-UHFFFAOYSA-N 358.419 5.318 0 40 FKAB COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 669332 VXQYLSOVEWICFT-HXUWFJFHSA-N 364.832 5.120 0 40 FKAB COc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)cc1 855418 MDMIPIFZJMCCRT-JTSKRJEESA-N 372.468 5.287 0 40 FKAB CC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 975683 LDAILEPIAICNNJ-RXVVDRJESA-N 362.494 5.763 0 40 FKAB Cc1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 1415678 SZIAKJWSSFQQDH-UHFFFAOYSA-N 359.376 5.476 0 40 FKAB CN(C)CCCN1c2ccc3ccccc3c2Sc2cccc(Cl)c21 1608874 YQQOWRFAYJNTDF-UHFFFAOYSA-N 368.933 6.048 0 40 FKAB in-vitro COc1ccc(C(=C(Cl)c2ccccc2)c2ccc(OC)cc2)cc1 1645251 SXHPIOYGNGNXRF-UHFFFAOYSA-N 350.845 5.859 0 40 FKAB CC(C)c1cccc(C(C)C)c1OCCOC(=O)Nc1ccc(F)cc1 1753722 BLHBTUQYXFIHLU-UHFFFAOYSA-N 359.441 5.700 0 40 FKAB CCCCCCOc1ccccc1/C=C1/N=C(c2ccc(C)cc2)OC1=O 2269413 UJKBSABDIAAPDU-CAPFRKAQSA-N 363.457 5.299 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(N(C)C)cc3)ccc21 2748529 WZIYRXNEKBTYJT-UHFFFAOYSA-N 357.457 5.133 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1 3135964 GIIZEHMVQXGOEF-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB O=C(CSc1nc2ccccc2s1)c1ccc(C2CCCCC2)cc1 3295462 LYFQGPZMAFAFJP-UHFFFAOYSA-N 367.539 6.319 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2OCc1ccccc1 3849986 PFVCATKPVAAICJ-ZAUVCPJUSA-N 366.589 7.005 0 40 FKAB CCCC[C@@H]1C=C[C@@H](/C=C/CCCCCCCC(=O)O)[C@@H](C(=O)O)C1 4409252 YFZILRWZQWRQFP-BMTIRIFJSA-N 350.499 5.441 0 40 FKAB COc1ccc2cc([C@]3(c4ccccc4)OC(=O)c4ccccc43)ccc2c1 4720857 MMSQDWLXYMXJAP-VWLOTQADSA-N 366.416 5.311 0 40 FKAB COc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1O 5838892 ZWHJSVHFACAICT-RMKNXTFCSA-N 353.443 5.012 0 40 FKAB CC(C)C(=O)c1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12 6306633 INVZXYFUIDIPNQ-UHFFFAOYSA-N 370.452 5.272 0 40 FKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1Cl)N2 6630663 PAAHFHQGWHWCAP-UIAACRFSSA-N 371.864 5.151 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)nc2ccccc2c1C 7920501 SNBRPBICYNMSPJ-UHFFFAOYSA-N 362.473 5.410 0 40 FKAB CCCCCCOc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1 8163394 SWQOESNLYATMHK-IBGZPJMESA-N 369.505 5.669 0 40 FKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccccc1-c1ccccc1 8339346 XZGMMMXTQJSIMV-UHFFFAOYSA-N 367.880 5.420 0 40 FKAB Cc1nnc(-c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)o1 9573849 NCVIJJWKALMAKZ-UHFFFAOYSA-N 357.335 5.067 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 10434128 GBMOVNRRJHIZCM-UHFFFAOYSA-N 360.295 5.318 0 40 FKAB Cc1ccc(NC(=O)CSCc2csc(-c3ccsc3)n2)cc1 12553670 GGPUQLFQJFDWEN-UHFFFAOYSA-N 360.529 5.052 0 40 FKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 12653930 XYGMEFJSKQEBTO-MGMSQGANSA-N 364.913 5.017 0 40 FKAB biogenic O=C(Nc1cccc2cccnc12)c1cc(-c2ccco2)nc2ccccc12 12790063 VPZGFAHBDFJAOG-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB CCOCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13648348 BGEPWSAKBJXPKV-SFHVURJKSA-N 350.506 5.423 0 40 FKAB Cc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCC3)cc1 16955813 OCTSTFUBTLDZPF-UHFFFAOYSA-N 358.292 5.052 0 40 FKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 20242057 DSKHPJYXQLNIFF-SNVBAGLBSA-N 359.800 5.478 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@H]1C 25549025 SABPQGKCDGUYAI-OHSHNSDFSA-N 374.609 6.994 0 40 FKAB CCc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1 27525483 BQQQYFWDYAMUFH-UHFFFAOYSA-N 371.484 5.281 0 40 FKAB CCOc1cc(NC(=S)Nc2cc(C)ccc2C)ccc1OC(F)F 36611111 CUDMSTMOPOYQIK-UHFFFAOYSA-N 366.433 5.112 0 40 FKAB Cc1ccc(F)c(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1 40128787 QHYCLXQXMLVEDG-UHFFFAOYSA-N 370.424 5.213 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 52660277 FWKBRSXSUZNNEH-HUUCEWRRSA-N 364.411 5.000 0 40 FKAB Cc1ccc(-c2csc(C(=O)Nc3cccc(C)c3)c2-n2cccc2)cc1 64472632 YDOHMHBGZLIPKE-UHFFFAOYSA-N 372.493 6.075 0 40 FKAB COc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1cccc(Cl)c1 66088459 BAIGFCJDHAXLPD-UHFFFAOYSA-N 369.823 5.331 0 40 FKAB Clc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)nc1 67321971 NYJVSZWHPBCZDN-UHFFFAOYSA-N 366.671 5.365 0 40 FKAB CC[C@@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2)c1ccc(C(C)C)cc1 103687860 AAHZXAGVHHRLCY-WWIWYCIASA-N 367.577 6.374 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1C 107041025 OQECTZWFUVRAKX-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 219065055 HDRNQKPNSWGGMK-ROUUACIJSA-N 353.506 5.246 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Cl)cc1F 222897420 WFMARBDQIMSMRJ-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)oc1ccccc12 224291083 RGWJPCBTKZKLLK-ZDUSSCGKSA-N 365.816 5.645 0 40 FKAB Cc1ccccc1[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 225306697 SKIOVMRUWXZTCP-HSZRJFAPSA-N 363.888 5.487 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H](c1ccc(C(F)(F)F)cc1)N1CCCCC1 719390 LBQXKGHTJBHROW-NRFANRHFSA-N 372.434 6.070 0 40 FKAB O=C(NC1CCCCC1)c1c2c(nc3ccccc13)-c1ccccc1CC2 863007 FFZGURBMQATJAT-UHFFFAOYSA-N 356.469 5.063 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Sc2c[nH]c3ccccc23)cc1 1098137 APSGAEUQMLEKNS-UHFFFAOYSA-N 374.465 5.580 0 40 FKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccccc3C)c2cc1C 1397550 UGKNEXAXWUIXEU-UHFFFAOYSA-N 361.876 5.725 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 1904084 DQLIUIUYVCZVCX-QHHAFSJGSA-N 361.055 5.952 0 40 FKAB Cc1ccc([C@@H]2Oc3ccccc3-c3c(C)c(-c4ccccc4)n(C)c32)cc1 2158477 CNISJDWLEXNFLS-SANMLTNESA-N 365.476 6.458 0 40 FKAB Cc1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 2299152 PPBWUESKPOUEID-UHFFFAOYSA-N 354.247 5.267 0 40 FKAB O=C(CCCSc1nnc(Nc2ccccc2)s1)c1ccccc1 2644229 UPTJZSPFSAMQKA-UHFFFAOYSA-N 355.488 5.037 0 40 FKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1C 2756370 POXCRUACZFDDAI-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1cccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3nc4ccccc4n32)c1 2919840 RSMZBNMTYNNKSJ-XMMPIXPASA-N 365.480 6.018 0 40 FKAB CCOC(=O)c1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C 3437806 LVKVUGBFJXYNLJ-UHFFFAOYSA-N 360.240 5.694 0 40 FKAB Clc1ccccc1-c1cs/c(=N\c2ccccc2)n1C[C@H]1CCCO1 3504011 SAWNDSMWULHHGQ-BLRPHQBRSA-N 370.905 5.281 0 40 FKAB Clc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)=NN2)cc1 4129726 FWOZKNSSKPCBEP-UHFFFAOYSA-N 366.251 5.427 0 40 FKAB Cc1cc(C)c2c(CCCC(=O)O)c(-c3ccc4ccccc4n3)[nH]c2c1 4227991 SNJCJWQDGIGLNR-UHFFFAOYSA-N 358.441 5.407 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl 4702352 ZHSUIVUFFDZBPS-UHFFFAOYSA-N 363.844 5.562 0 40 FKAB CCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccs3)C[C@@H]21 4715926 JUZKHTJLRYSSSL-KRWDZBQOSA-N 368.502 5.351 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ncoc1-c1ccccc1F 5002004 QISRWZHVSCHKLA-UHFFFAOYSA-N 368.408 5.039 0 40 FKAB Clc1ccc(-c2cn3cc(Cc4cccc(Cl)c4)sc3n2)cc1 5012498 KCCIVBGYEIDWAY-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB CCCCN(C)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5033126 UTQTULIEPPBMGD-UHFFFAOYSA-N 368.550 5.163 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1-c1[nH]nc2c1CCCC2 5490430 FCYAVQAAXINYHA-UHFFFAOYSA-N 365.864 5.170 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 6811476 SBDLQZXKRRZKTF-UHFFFAOYSA-N 364.445 5.471 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 6892242 JUPTYHPZDSVYTK-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OCc2ccccc2)c1 7668576 RBDBMNHQFMOKJZ-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc(F)c1 8113652 SENZVYVKTYAXIT-UHFFFAOYSA-N 355.384 5.165 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 8196720 PPGDDDOQORAXQJ-MRXNPFEDSA-N 370.452 6.261 0 40 FKAB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(C)c1 8368732 HGEWCGZFEOTXIZ-ZVHZXABRSA-N 359.425 5.331 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 8499074 OYNKCVDQGLVTAG-SFHVURJKSA-N 361.441 5.502 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 9355405 NAKULWMNSSHXLG-DEOSSOPVSA-N 366.464 5.264 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10119992 HUJLBFVJHZPFAP-UHFFFAOYSA-N 356.425 5.288 0 40 FKAB O=C(c1cccc2ccccc12)N(C(=O)N1CCCCC1)c1ccccc1 10254479 HUHTUWQHZDAPTE-UHFFFAOYSA-N 358.441 5.093 0 40 FKAB Cc1cc(C)c(NC(=O)CNc2ccccc2-c2ccccc2)c(Cl)c1 11618897 CMYYHKDGGBLEHK-UHFFFAOYSA-N 364.876 5.674 0 40 FKAB CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 13549542 WCCMSEKOBAVWAB-OAHLLOKOSA-N 372.881 5.377 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)c1ccc(OCc2ccccc2Cl)cc1 13687776 XBJAQAQQKFDCRZ-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccccc3)n2)c1 17075914 OBQPDUNTBLQMJX-UHFFFAOYSA-N 370.452 5.283 0 40 FKAB Cc1ccc(Nc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 18254473 LEDHLUZBIDCVLE-UHFFFAOYSA-N 360.844 5.901 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 20105000 RQNUKOMSDPPWSQ-INIZCTEOSA-N 370.301 5.511 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 20459825 PJMMBSWVQRXGHX-ACJLOTCBSA-N 363.910 5.097 0 40 FKAB c1ccc2c(CN3CCN(Cc4cccc5ccccc45)CC3)cccc2c1 22874608 HLIYCXYFCFMPJG-UHFFFAOYSA-N 366.508 5.311 0 40 FKAB Clc1ccc(N2Cc3cn(-c4ccccc4)nc3-c3ccccc32)cc1 27750707 FPGXFTYVLDQMTP-UHFFFAOYSA-N 357.844 5.844 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 30856075 RSEONDDEHYSCIL-IAGOWNOFSA-N 369.505 5.028 0 40 FKAB Cc1ccc(CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 33652881 URATVWWRBDSDLW-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C 59351142 ZUWLWAJEQHCQHB-FQEVSTJZSA-N 357.497 5.703 0 40 FKAB COc1ccc(-c2csc(Nc3cccc(Cl)c3Cl)n2)cc1 67192483 HIHLPPVSSXQVKN-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 78457533 WKRAPRGIYQLWTN-OALUTQOASA-N 353.506 5.380 0 40 FKAB O=C(CCc1cccc2ccccc12)NCc1ccc(Cl)cc1Cl 222661238 BFWWYRRPLVDNQN-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224855862 BKBKVASOQUUIIP-GFCCVEGCSA-N 355.381 5.013 0 40 FKAB CC(C)(C)c1ccccc1O[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225093645 SOOYBYBRFUMKIZ-KRWDZBQOSA-N 366.379 5.078 0 40 FKAB Cc1ccn2c(-c3csc(Nc4ccc(Cl)cc4)n3)c(C)nc2c1 709328 NNTJBMUMIPXVOA-UHFFFAOYSA-N 354.866 5.472 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)c1 1006605 WGMMXIOVAWWSNO-UHFFFAOYSA-N 368.820 5.054 0 40 FKAB C[C@H](NC(=O)c1cccc(C(=O)[C@@H](C)c2ccccc2)c1)c1ccccc1 1057625 PWOQWDIELJQRNZ-ROUUACIJSA-N 357.453 5.164 0 40 FKAB CCC(=O)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2nc1Cl 1367798 KIMWPALYTDECCX-UHFFFAOYSA-N 356.853 5.037 0 40 FKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(C)c(Cl)c3)c2c1 1892412 XQBFQWVCFLEIFH-XTCLZLMSSA-N 373.883 6.856 0 40 FKAB CCc1nc2sc3c(SCC(C)C)ncnc3c2c2c1CCCC2 2286580 BAGJMUDZXJFDSH-UHFFFAOYSA-N 357.548 5.429 0 40 FKAB Cc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4F)cc2-3)cc1 2688268 FUSDTIJZCSOLTF-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)cc1F 2949582 DWJHKMDUMNZQJS-OAHLLOKOSA-N 360.212 5.050 0 40 FKAB COc1cccc2sc(Nc3nc4ccc(C(C)C)cc4s3)nc12 4137707 UBXSCLDRCLHXAL-UHFFFAOYSA-N 355.488 5.782 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)nc2c1 4703915 CRIIGNWSBWNWDG-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB C[C@@H](c1ccco1)N(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 4869242 OCHIYKNIYAPIOY-ZDUSSCGKSA-N 360.335 5.101 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccc(Cl)c2)on1 4881013 OFOMATKWOJBPTO-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 5681268 QUUYESKGEOQVTG-DVXORUALSA-N 372.424 5.309 0 40 FKAB Fc1ccc([C@@H](CCN2Cc3ccccc3C2)c2ccc(Cl)cc2)cc1 6670327 KUEDFDMOVZBOME-QHCPKHFHSA-N 365.879 6.017 0 40 FKAB COc1cccc(CNC2CCCCCCC2)c1OCc1ccccc1F 7523040 YAJNVBRARDXXDF-UHFFFAOYSA-N 371.496 5.616 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1ccc(OCc2ccccc2Cl)cc1 7699623 JLSHKMWMGVCQBX-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB COc1cccc(-c2nc(-c3cc(C)n(C4CC4)c3C)cs2)c1OC 8039842 XALBWRCVMLNYIP-UHFFFAOYSA-N 354.475 5.248 0 40 FKAB C[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccc(Cl)cc3c2O)C1 8717282 QXXZQCPYBXRKBK-OAHLLOKOSA-N 366.892 5.493 0 40 FKAB COc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@H](C)C3)cc1 12610214 RMIWALLBUOEJHU-AWEZNQCLSA-N 363.526 5.976 0 40 FKAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C(C)(C)C)cc1 13670415 GMBFTBUIOAMRTF-DLBZAZTESA-N 355.547 5.483 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)Nc1ccc(Cl)cc1Cl 16431200 JMHSEWFKPXWPKD-UHFFFAOYSA-N 372.664 5.901 0 40 FKAB Fc1ccccc1COc1cccc(CNC2C3CC4CC(C3)CC2C4)c1 22073840 XOHWHDNMGXJMST-UHFFFAOYSA-N 365.492 5.319 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1sc(-c2cccnc2)nc1C 22237564 VWQLFNHPDFEGJX-UHFFFAOYSA-N 351.475 5.198 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27992679 GPGIWWMKEDWGKP-UHFFFAOYSA-N 368.408 5.302 0 40 FKAB Cc1cc2occ(CC(=O)Nc3cccc4ccccc34)c2c(C)c1Cl 39892963 VJSMPRCMDPYZPR-UHFFFAOYSA-N 363.844 6.037 0 40 FKAB c1csc(-c2noc(CCCSC3=Nc4ccccc4CS3)n2)c1 95950607 LZNPACIVZFUIFZ-UHFFFAOYSA-N 373.528 5.398 0 40 FKAB Clc1ccc([C@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101166883 QRAXSQDCVMQGOW-TZIWHRDSSA-N 359.860 5.836 0 40 FKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)n1 170569264 VZBWZRHLHIHLGM-UHFFFAOYSA-N 360.461 5.213 0 40 FKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 216383830 OJVZPSRJTFHDGL-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1 219374875 DSLNWPOADLZWJY-OAQYLSRUSA-N 367.489 5.421 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223356065 CSPSZHKRUZCOIN-MRXNPFEDSA-N 355.478 5.017 0 40 FKAB O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958163 DUNFYULATMKTRO-UHFFFAOYSA-N 366.848 5.334 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl 225514812 RMZRKFJCLSHSBA-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC(C)CC1 225670398 QDSYZZKOJLCZJD-UHFFFAOYSA-N 353.890 5.053 0 40 FKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408575334 ULKVNWRDZYKVIF-FMIVXFBMSA-N 353.805 5.261 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSCc1c(F)cccc1Cl 409412336 UQPGMYLEJZQHNF-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB Cc1cc(Cl)c(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cc1Cl 666421965 APCKBGSTXTVQIO-GUYCJALGSA-N 371.308 5.115 0 40 FKAB Cc1ccc(C[C@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 865562 GAODIMGJPXDDHA-GOSISDBHSA-N 366.468 5.317 0 40 FKAB biogenic CC(C)(C)c1ccc(CNC(=O)Nc2cc(F)c(F)cc2Cl)cc1 1029922 YWFARIDLDGNTDA-UHFFFAOYSA-N 352.812 5.237 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c(C)c1 1262753 FAAVTXUIHNQMGF-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB Cc1cc2nnc(SCCOc3ccc(Cl)cc3)n2c2ccccc12 1924337 GYDUEWPTXDAPGD-UHFFFAOYSA-N 369.877 5.015 0 40 FKAB CCc1ccccc1/N=c1\ssc2c1-c1ccccc1NC2(C)C 2281282 UABRAQSZWPHNMB-VZCXRCSSSA-N 352.528 5.932 0 40 FKAB Cc1ccc(-c2nnc(Nc3cccc4ccccc34)c3ccccc23)cc1 2316089 SHTJMUUFUOVEPM-UHFFFAOYSA-N 361.448 6.502 0 40 FKAB Cc1ccc(Nc2nnc(SCCOc3ccccc3)s2)cc1C 2628454 HUPYDJCSQDENRX-UHFFFAOYSA-N 357.504 5.070 0 40 FKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 2974685 DRHYDVSSQDCEFW-UHFFFAOYSA-N 372.472 5.308 0 40 FKAB Cc1ccccc1N(C(=O)c1cccs1)c1nc2ccccc2s1 3260638 HEPFKJVKHFICNP-UHFFFAOYSA-N 350.468 5.645 0 40 FKAB aggregator O=C(Nc1ccccc1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 4671238 XNLUSSDSIVWVEG-UHFFFAOYSA-N 371.465 6.121 0 40 FKAB O=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCCCC2 4891942 YEPDCXSSFABBEP-UHFFFAOYSA-N 362.498 5.010 0 40 FKAB COc1ccc(-c2csc(/C=C/c3ccc(Cl)cc3Cl)n2)cc1 5417717 RXTWXJUMFZSRLN-WEVVVXLNSA-N 362.281 6.296 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 5471289 AMDYMBHEBJDINN-ZDUSSCGKSA-N 361.869 5.052 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2[nH]1 5628327 XNOPKCICOJPXRR-UHFFFAOYSA-N 367.518 5.541 0 40 FKAB O=C(/C=C/c1cccs1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 8074785 YVSDCRPMLYBLDF-SJFMBGHLSA-N 372.493 5.191 0 40 FKAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccccc1F 8254145 DMBZMVXSKCDODN-UHFFFAOYSA-N 365.876 5.345 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc4ccccc34)[nH]2)cc1 9199380 VKTQIKGMHQHMSW-UHFFFAOYSA-N 373.525 6.215 0 40 FKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OC 9225820 BYSWGXRIVYRLFZ-UHFFFAOYSA-N 355.821 5.153 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1[P@](=O)(Nc1ccccc1)c1ccccc1 11027030 CPRRSKIORQJWCQ-FMNIHWTGSA-N 355.462 6.163 0 40 FKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1 17076233 ZRAXSMQWRKFXOC-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1cccc(C)c1 20034863 YICQKFDMHROUFG-JOCHJYFZSA-N 361.485 5.055 0 40 FKAB CSc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 22245353 ZRTCFQHRHWMEGA-UHFFFAOYSA-N 369.515 5.194 0 40 FKAB Cc1ccc(C)c(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c1 28284373 JDPHOKRVILQRPF-UHFFFAOYSA-N 351.368 5.120 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)nc2ccccn12 35606565 AISLGOJKTVUZKY-UHFFFAOYSA-N 373.456 5.330 0 40 FKAB C[C@H](c1nc2ccccc2n1CCCc1ccccc1)N1CCCCCC1 39917298 JAKZSFLGYABANO-HXUWFJFHSA-N 361.533 5.606 0 40 FKAB Brc1ccc(-c2nc3ccccc3s2)c(Br)c1 73638177 VDSKWJQPZZMQQO-UHFFFAOYSA-N 369.081 5.488 0 40 FKAB OC1=C[C@]2(CCC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccs3)=NN12 222363885 WBVGZBKSFSZWGU-APWZRJJASA-N 372.877 5.267 0 40 FKAB C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222948984 QXMLKKJXVQLABU-MRXNPFEDSA-N 371.908 5.255 0 40 FKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1cccc(C)c1 224381136 YQBDWUNLONCOHM-UHFFFAOYSA-N 367.489 5.035 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COCC(C)C 224739308 ARMCHBBQHOQZRI-UHFFFAOYSA-N 373.518 5.232 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CCc1c(Cl)cccc1Cl 225347283 QGLRBXGBRFQUOI-UHFFFAOYSA-N 358.652 5.227 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 225353081 JLFIVHMLLBNIEI-UHFFFAOYSA-N 370.279 6.232 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc3c(c2)CCCC3)cc1 225630158 AYMAFBCFUBFYKS-JOCHJYFZSA-N 351.490 5.091 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225826219 PBUKETDZANQDGG-HSZRJFAPSA-N 371.521 5.799 0 40 FKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1(c2ccco2)CCCC1 225869250 RKAXZWKMSUPELP-UHFFFAOYSA-N 370.518 5.357 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 250208524 KLDWEGODAHJCRI-WIOUJZMWSA-N 353.849 5.335 0 40 FKAB Cc1ccccc1Cc1ccc([C@@H]2CCCCN2Cc2cccnc2)cn1 257275720 NQQHIUMYXLKYRL-DEOSSOPVSA-N 357.501 5.103 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl 408586097 LBROUWBUGNZVIR-UHFFFAOYSA-N 372.679 6.078 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 408605738 JYTUYOBVBNNCQK-UHFFFAOYSA-N 367.788 5.113 0 40 FKAB CCCCc1nc2sc3c(NCC(C)C)ncnc3c2c2c1CCC2 2211705 ZNSLHMIGMRBBHC-UHFFFAOYSA-N 354.523 5.139 0 40 FKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1 2889649 BNYJHMLIVUIDTH-UHFFFAOYSA-N 371.845 5.107 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1cccc(Cl)c1 3120616 GDRUGQXXCSHOSV-FCHUYYIVSA-N 364.828 5.242 0 40 FKAB C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1cccc2ccccc12 3147900 NEGXUYHQUPLXNG-CYBMUJFWSA-N 369.262 5.485 0 40 FKAB C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cccc(Cl)c1 3266409 ZQVSRHAXKKPUEO-WLYUNCDWSA-N 365.901 5.063 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc(Cl)cc2)no1 3584688 QSRQJNSLHVWCGO-UHFFFAOYSA-N 372.211 5.674 0 40 FKAB Cc1cc2nc(/C=C/c3ccccc3)n(Cc3ccc(Cl)cc3)c2cc1C 4050626 DFNPOFPUTAASIC-JLHYYAGUSA-N 372.899 6.525 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)sc1Cl 4174172 KHHOZSDMPMGFNP-UHFFFAOYSA-N 361.300 5.492 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Cl)cn23)cc1 4735045 ZNZOTGGUFYSENG-UHFFFAOYSA-N 372.859 6.188 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 4907260 PEIDGWVFVQDWDN-UHFFFAOYSA-N 372.251 5.678 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(-c2ccccc2)cc1 5861898 PLQPISHLCWSUGS-UHFFFAOYSA-N 371.461 5.834 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1C 6215900 WKZMWINIFCPFOR-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 6245581 SFWQWPZQVOEBRO-UHFFFAOYSA-N 372.896 5.370 0 40 FKAB C[C@H](NCc1ccccc1OCc1ccccc1)c1ccc(F)c(F)c1 8403051 DGJRRJHOQQFECW-INIZCTEOSA-N 353.412 5.395 0 40 FKAB C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc2ccccc12 12909356 NQEUDEVIGPCRLR-HOTGVXAUSA-N 358.441 5.264 0 40 FKAB C[C@@H](CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 12923764 HLDVAAINGVHHOL-INIZCTEOSA-N 364.514 5.196 0 40 FKAB COc1ccc(C)cc1NC(=O)CCCSc1nc2ccccc2s1 14119668 RILJNMZLNABXLR-UHFFFAOYSA-N 372.515 5.124 0 40 FKAB Cc1cc2oc(C(=O)N(Cc3ccco3)c3ccccn3)c(C)c2cc1C 15833109 BMKCDEZPDWXZCD-UHFFFAOYSA-N 360.413 5.193 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](C)Sc2ccccc21 17525431 VJBQLSUWQHPEQI-CQSZACIVSA-N 364.470 5.181 0 40 FKAB O=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2ccccc2)o1 21706806 MCZQPWWHYQVPSZ-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 22072541 OIVZQZDRYBEDCM-UHFFFAOYSA-N 372.255 5.693 0 40 FKAB CCCCCCOc1ccc(-c2ncc(CCCCCC)c(C)n2)cc1 35585929 DZYYVTDTFXYZDB-UHFFFAOYSA-N 354.538 6.534 0 40 FKAB COc1cc(-c2nc3ccccn3c2Nc2ccc(C(C)C)cc2)ccc1O 35606514 ASSBJLKVPMHYLW-UHFFFAOYSA-N 373.456 5.583 0 40 FKAB c1ccc(OP2Oc3cccc4c3C3(CC4)CCc4cccc(c43)O2)cc1 38209057 JVANYVSBBJFGMW-UHFFFAOYSA-N 374.376 5.942 0 40 FKAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Nc2ccccc2)cc1 40176163 JSVUFEROZPCGCV-UHFFFAOYSA-N 374.469 5.037 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(CC)cc3)c2c1 46085988 NEPQKYDBZDONCA-UHFFFAOYSA-N 351.446 5.735 0 40 FKAB CC(C)OCc1cccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)c1 64543442 RYUOGUCKRCKTHN-NRFANRHFSA-N 367.493 5.156 0 40 FKAB CC(=O)c1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 67321943 NCCXVKDFGWZMGC-UHFFFAOYSA-N 373.275 5.519 0 40 FKAB COc1ccc(Nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)cc1 67322111 QHXHFGDPLLKTEW-UHFFFAOYSA-N 373.865 5.109 0 40 FKAB CC(C)n1c([C@H]2CCCN2C(=O)c2cccc(Cl)c2)nc2ccccc21 72306553 DOJIXIAZUOVEBC-LJQANCHMSA-N 367.880 5.248 0 40 FKAB Cc1[nH]c(-c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)nc1-c1ccccc1 95468308 FIUJVWZRSWRJDU-UHFFFAOYSA-N 367.496 5.948 0 40 FKAB CCc1cccc(CC)c1NS(=O)(=O)/C=C/c1c(C)cc(C)cc1C 96137177 ZJNUFXMCPIIPLC-VAWYXSNFSA-N 357.519 5.149 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222748066 PWTJKPKHXTZNJT-AWEZNQCLSA-N 355.890 5.290 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=S)Nc2ccc(C)cc2)cc1C(C)C 223387819 VSEZHGVQAFXRFR-MRXNPFEDSA-N 356.535 5.483 0 40 FKAB CC(C)Oc1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)cc1 225354927 UJNPULRHKDXOJD-UHFFFAOYSA-N 366.288 5.030 0 40 FKAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Cl 225576445 CVKSVUYXBHFUKF-INIZCTEOSA-N 360.910 5.237 0 40 FKAB CC(C)c1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225769601 RKIVIMQHLCBWRL-UHFFFAOYSA-N 357.866 5.234 0 40 FKAB CCc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225810108 UOIMCEOFNUSJPH-UHFFFAOYSA-N 356.510 5.187 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c2ccccc12 225828003 WVVRJBPCEIHQMF-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cn1 225895806 TYYFKPBTOJSWBR-UHFFFAOYSA-N 364.530 5.067 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1[C@H](C)CCC[C@H]1C 226330039 ATXYIAIRMVDFJE-HUUCEWRRSA-N 371.912 5.250 0 40 FKAB COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 409087653 JHPQWQUSOKCONH-UHFFFAOYSA-N 373.481 5.235 0 40 FKAB O=C(OC(c1ccccc1)c1ccccc1)c1cc2ccccc2cc1O 409179731 SDLIIEBAHVWICJ-UHFFFAOYSA-N 354.405 5.492 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)C3CCCC3)c2)c1 683197 QKFJTMSEEQSDLP-UHFFFAOYSA-N 370.880 5.338 0 40 FKAB Fc1ccc([C@@H]2CCc3nnc(-c4ccccc4)n3-c3cc(F)ccc32)cc1 717525 DQGNKQABFIIAHK-IBGZPJMESA-N 373.406 5.291 0 40 FKAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)C2CCCCC2)s1 1345332 QUPGZQIDYZJWQZ-UHFFFAOYSA-N 357.523 5.083 0 40 FKAB Clc1ccc(-c2nc(Nc3ccccc3Cl)c3ccccc3n2)cc1 1807530 LMYLAFKLECLHRT-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1cccc(Cl)c1 1831966 SEEBPBQVMWKVHF-JZJYNLBNSA-N 358.919 6.023 0 40 FKAB O=C(/C=C/c1c(F)cccc1Cl)NC(c1ccccc1)c1ccccc1 2773927 SWJNPLZCMOEGSJ-CCEZHUSRSA-N 365.835 5.398 0 40 FKAB CC[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 3018649 AOUWTGIEFIEWFQ-SSUZURRFSA-N 371.524 5.719 0 40 FKAB CCOC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)s1 3305400 GAQMVJKDLGOCGA-UHFFFAOYSA-N 352.459 5.662 0 40 FKAB Cc1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 4413922 GHJYNGMEEGKWRW-UHFFFAOYSA-N 357.478 6.609 0 40 FKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 5174492 MDHVXPXKQQAOMT-UHFFFAOYSA-N 370.477 5.514 0 40 FKAB CSc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 5222789 ZXKQBERMTZLZIF-UHFFFAOYSA-N 360.438 5.469 0 40 FKAB COc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1Cl 7539578 CCWOBTIYUFWVEH-UHFFFAOYSA-N 362.256 5.552 0 40 FKAB COc1cc(/C=C/c2nc3cc(Cl)ccc3s2)cc(Cl)c1O 7717309 NMRQLPBWWUIISC-GORDUTHDSA-N 352.242 5.488 0 40 FKAB O=C(NCC1CCCCCCC1)N1c2ccccc2Sc2ccccc21 13574538 OQPHPVKODFRCJX-UHFFFAOYSA-N 366.530 6.359 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc(C)c1Cl 14398248 IIXGDKBXBNMOMY-LLVKDONJSA-N 372.679 5.670 0 40 FKAB CC[C@@]12CCC3=C(C1=CC[C@@H]2OC(C)=O)[C@@H](C)Cc1cc(OC)ccc13 16611496 GIYSITPKERYJBK-OAJKGFPOSA-N 352.474 5.093 0 40 FKAB O=C(c1ccccc1SCc1cccs1)N1CCc2ccccc2C1 21706698 FSMFDYVOKJHADK-UHFFFAOYSA-N 365.523 5.239 0 40 FKAB Cc1nn2c(Nc3ccccc3)c3c(nc2c1-c1ccccc1)CCCC3 27584932 HRDSVTQLYDHFGU-UHFFFAOYSA-N 354.457 5.327 0 40 FKAB CCOc1ccccc1NC(=O)c1oc2cc(Br)ccc2c1C 27663347 SNSSCZIJNUFQHU-UHFFFAOYSA-N 374.234 5.155 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2)cc1 33620800 SKVZOHYOISYGOG-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CN(CCCc1nc(-c2cccs2)no1)Cc1ccc2ccccc2c1 37117569 IOLDMHPDXFRDOW-UHFFFAOYSA-N 363.486 5.016 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(C)cc1 44935883 UKEYUWKFSJAQPZ-HSZRJFAPSA-N 364.533 5.252 0 40 FKAB CCN(CC)CCN(c1ccccc1)c1cc(C)c2cc(C)cc(C)c2n1 46085556 KCGUTBHWMKWILI-UHFFFAOYSA-N 361.533 5.640 0 40 FKAB COc1ccc(-c2csc(Nc3ccccc3Br)n2)cc1 67192493 OICACPRGFBHNPT-UHFFFAOYSA-N 361.264 5.325 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102855412 TUPDNAUFOQVZDL-IERDGZPVSA-N 354.519 5.159 0 40 FKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1Cl 214087039 KOGKLSFTPTXWNF-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(Cl)cc1Cl 222979172 CHLNESIEHDEGEO-SFHVURJKSA-N 366.288 5.084 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223105724 AEWORJACUQYGSR-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB Cc1ccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)c(C)c1 224020476 PMDQLXFVVUPRAP-UHFFFAOYSA-N 359.425 5.012 0 40 FKAB CC(C)Oc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225661057 BPHJUMMKRDVUHS-KRWDZBQOSA-N 370.562 5.517 0 40 FKAB CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@H](C)C1 225809984 VDFWQDLNRKXSTQ-AOMKIAJQSA-N 355.478 5.161 0 40 FKAB C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)C1 226357995 STNOHSOGHQPZAB-HNAYVOBHSA-N 362.425 5.196 0 40 FKAB CC(C)c1nc(Cc2ccc(F)cc2)c(C(=O)O)cc1-c1ccccc1F 257335753 YLSKSKIWCMDOPG-UHFFFAOYSA-N 367.395 5.439 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408574021 HJXYKVLFKSIOSW-UHFFFAOYSA-N 373.827 5.788 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 408579357 GDGCRXUHBDCOFY-UHFFFAOYSA-N 356.878 5.587 0 40 FKAB O=C(c1ccccc1)C1(C(=O)c2ccccc2)c2ccccc2-c2ccccc21 1582122 OYBVWYMGOHHAQU-UHFFFAOYSA-N 374.439 5.719 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1 2961299 KWHVTIOCFPDQQV-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB Clc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12 3299222 WCQUEVRFBNZEAJ-UHFFFAOYSA-N 354.887 6.163 0 40 FKAB O=C(OCc1nc2ccccc2s1)c1sc2ccccc2c1Cl 3353787 RMMDRJGJKAVZGQ-UHFFFAOYSA-N 359.859 5.521 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)s2)nc2c(Cl)cc(Cl)cc12 3756894 NVIKFYILZKIJEJ-UHFFFAOYSA-N 358.633 5.622 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccccc2)(c2ccc(OC)cc2)CCO1 4027781 AORUYRRSSDYQJW-BJKOFHAPSA-N 367.533 5.092 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4322225 MUZUZXBNNZQLPH-ARJVPZMDSA-N 358.696 5.135 0 40 FKAB O=C1C[C@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 4578044 QAIAFVZYJFEFRC-MRXNPFEDSA-N 353.215 5.043 0 40 FKAB CC(C)n1c(SCc2ccccc2F)nc2cc(Cl)ccc2c1=O 4948708 HIMJDFIEIHPFMM-UHFFFAOYSA-N 362.857 5.062 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C 6205783 MQHIQNRFPKBNOC-UHFFFAOYSA-N 359.347 5.835 0 40 FKAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 6330545 QKJXVAFFIXWRKR-VIFPVBQESA-N 360.643 5.206 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(Cl)c3)[nH]2)cc1 9199647 CHQHSYIVVDCHPP-UHFFFAOYSA-N 357.910 5.715 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1c(F)cccc1Cl 12601006 AYZWETONMOZVEG-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 13584914 IQSIXTDPSJCEFA-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 14200457 NYJAXBHGOVNZRX-LJQANCHMSA-N 368.383 5.199 0 40 FKAB Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(Cl)c2)cc1 27739851 LAVUURYFQBELKY-UHFFFAOYSA-N 355.890 5.865 0 40 FKAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ncc(-c2ccccc2)s1 40087535 DCEUZKNKYCLAMX-UHFFFAOYSA-N 362.376 5.010 0 40 FKAB O=C(O)/C=C/c1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1 44201365 DXXZNEYHOHKEAL-DUXPYHPUSA-N 351.107 5.370 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 44847657 LCQZMVMGYWVCSQ-CQSZACIVSA-N 358.652 5.443 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351368 FOKPYENGINXGBC-JPYJTQIMSA-N 361.485 5.491 0 40 FKAB Cc1nc2ccc(NCc3ccc(C(=O)Nc4ccccc4)cc3)cc2s1 60935110 WJSRLCJHMHIGAV-UHFFFAOYSA-N 373.481 5.469 0 40 FKAB Cc1cc(N)cc2nc(-c3cc(Cl)c(Br)c(Cl)c3)oc12 70461477 AGQQENLHYWQVMS-UHFFFAOYSA-N 372.049 5.455 0 40 FKAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72214287 DHDIIMOOCWZTHQ-IBGZPJMESA-N 367.493 5.312 0 40 FKAB O=S(=O)(c1cccc(Cl)c1)c1cnc2ccc(Cl)cc2c1Cl 72329827 WIYGMMDSSLLPES-UHFFFAOYSA-N 372.660 5.028 0 40 FKAB Cc1ccc(C(=O)CCNc2ccc(-c3nc4ccccc4s3)cc2)o1 72408085 LMXPKWKCIIULHZ-UHFFFAOYSA-N 362.454 5.550 0 40 FKAB CCCC1CCC(C2CCC(C(=O)Oc3ccc(F)c(F)c3)CC2)CC1 80316625 SJQNBUFTRYMKET-UHFFFAOYSA-N 364.476 6.283 0 40 FKAB Clc1ccccc1Cn1cc(/C=C/c2nc3ccccc3s2)cn1 84505946 RBPMGPAGHHEUPY-MDZDMXLPSA-N 351.862 5.365 0 40 FKAB Cc1ccccc1/N=c1/scc(-c2ccccc2)n1-c1ccccc1C 100841002 ULZCLLHIHQIUDB-WCWDXBQESA-N 356.494 6.055 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222726235 UFHKFCRSTNWAJT-ZDUSSCGKSA-N 368.329 5.412 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222907765 WMEPJBBHMLZZGT-IAGOWNOFSA-N 353.531 5.232 0 40 FKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 223127205 TYPMFEHMPHQIRH-DEOSSOPVSA-N 373.496 5.365 0 40 FKAB Cc1ccc(C)c(OCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 224018786 GGHIRRVUKFARIU-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB CC(C)c1ccccc1O[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225083026 ORMHETUKIRZOPR-MRXNPFEDSA-N 353.245 5.192 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 225625167 IETDZKWPYYUULZ-OAQYLSRUSA-N 363.501 5.378 0 40 FKAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc3ccccc23)CCS1 225741855 FLMHUGJHJKJZQP-QFIPXVFZSA-N 361.510 5.469 0 40 FKAB O=C(c1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@H]1c1ccccc1 666444 BREGTOHUVBTMMF-SFHVURJKSA-N 366.873 5.393 0 40 FKAB CC(C)Oc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1246636 BHLOLDCUXYJWIJ-UHFFFAOYSA-N 371.506 5.001 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1OC 1744759 SHTKSOICVTWLEH-ACCUITESSA-N 353.462 5.007 0 40 FKAB O=C(Oc1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 1842434 IWLKRNAHLDVONP-UHFFFAOYSA-N 364.444 6.091 0 40 FKAB CCN(CC)C[C@@H](O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 2045695 MEXJERWEMCMHCL-RUZDIDTESA-N 370.496 5.430 0 40 FKAB biogenic Clc1cc2c(c(COc3ccc(-c4ccccc4)cc3)c1)OCOC2 2632305 ZMSVUZCSGPRVRJ-UHFFFAOYSA-N 352.817 5.453 0 40 FKAB COc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1 2689412 CNJGQXHBMWBADB-UHFFFAOYSA-N 358.441 5.181 0 40 FKAB FC(F)(F)c1cccc(CSc2ncnc3c2oc2ccccc23)c1 2722818 GPWYORBEYQCAMW-UHFFFAOYSA-N 360.360 5.687 0 40 FKAB O=C(Cc1ccc(Br)cc1)OCc1c(Cl)cccc1Cl 3249966 BLWXOOFEOYJJCE-UHFFFAOYSA-N 374.061 5.042 0 40 FKAB COc1ccc(NC(=O)c2cc3c(s2)-c2cc(C)ccc2SC3)cc1 4091848 MGZOLQICFMGWBE-UHFFFAOYSA-N 367.495 5.590 0 40 FKAB CCCCc1ccc2nc(Nc3nc4c(OC)cccc4s3)sc2c1 4137717 HODNGWOJHIPLMT-UHFFFAOYSA-N 369.515 6.001 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 4285634 VSVORUIMESBOHI-WWPVKYPJSA-N 355.566 6.056 0 40 FKAB O=C(CSc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 4496650 BZBDLLZIWAJFTG-UHFFFAOYSA-N 360.438 5.226 0 40 FKAB O=C1[C@H](C2=CCCCC2)CCC[C@@H]1C[C@@H]1CCC[C@H](C2=CCCCC2)C1=O 4762704 PDNWKQHNXHCVTK-ZCQNZVIGSA-N 368.561 6.348 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NC(C)(C)C)c1ccccc1 4812433 DAJGFDWVRFTHOQ-JQGROFRJSA-N 351.471 5.371 0 40 FKAB Cc1cc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 5235087 BCARFUODWZHJGO-UHFFFAOYSA-N 352.883 5.022 0 40 FKAB COc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(O)cc1)[C@@H]2c1ccccc1 5742239 YHYXTSRIFWSWTK-DHIUTWEWSA-N 360.453 5.488 0 40 FKAB CCCCOc1ccc(C2=NN=C(c3ccccc3)Nc3ccccc32)cc1 5895030 JEFQCJYSFVZMRG-UHFFFAOYSA-N 369.468 5.490 0 40 FKAB Cc1cc(C)c(NC(=O)CSc2cc(C)c3ccccc3n2)c(C)c1 6043965 STSUJDQSDQGJCB-UHFFFAOYSA-N 350.487 5.199 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 6052968 CCSMMWBMXAPUMQ-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1C 6422396 BPDIUIMJEQDHRG-UHFFFAOYSA-N 362.542 7.218 0 40 FKAB O=C(/C=C/c1nc2ccccc2o1)Nc1ccccc1Cc1ccccc1 6599926 UINQDVZXTPKPTD-CCEZHUSRSA-N 354.409 5.071 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)C(c1ccccc1)c1ccccc1 7402645 IOSUTFBQHZXPHB-UHFFFAOYSA-N 367.851 5.270 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 12927322 YZGUISVCESIGEZ-XLNAKTSKSA-N 368.889 5.327 0 40 FKAB O=C(O)c1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1Cl 20138957 PRYPARXXXMWOHL-UHFFFAOYSA-N 360.196 5.097 0 40 FKAB Fc1ccc(COc2ccccc2CNC23CC4CC(CC(C4)C2)C3)cc1 22073729 VVCYNOLECOUKSI-UHFFFAOYSA-N 365.492 5.463 0 40 FKAB O=C(Oc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21 40936769 IXZXEECBRFSNPQ-UHFFFAOYSA-N 353.830 6.142 0 40 FKAB in-vivo Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 44086059 PYXHNNURTGTPDB-UHFFFAOYSA-N 374.484 6.279 0 40 FKAB Cn1c(-c2cccc(NC(=O)c3cc4ccccc4o3)c2)nc2ccccc21 48308899 MNJRIPFYKMREEZ-UHFFFAOYSA-N 367.408 5.239 0 40 FKAB O=C(CSc1cccc2cccnc12)Nc1cccc(Cl)c1Cl 57469038 PNRYPHVLSSAFIN-UHFFFAOYSA-N 363.269 5.272 0 40 FKAB C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(Cl)s1 58365573 JBAKBNFWEGEBSL-SNVBAGLBSA-N 365.882 5.760 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ccccc1 69531973 DCHALLXCFKHDBW-UHFFFAOYSA-N 365.432 6.398 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 78458249 FOBSYSFGAZUKGG-ROUUACIJSA-N 353.506 5.326 0 40 FKAB Cc1ccc(-c2cc3c4c(C)n(-c5ccccc5)c(C)c4c(C)nn3c2)o1 95482113 WDXBDKOSLBHCED-UHFFFAOYSA-N 355.441 5.772 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc(O)cc2)c2ccccc21 101429165 FXTZLCCDHWXDQP-JOCHJYFZSA-N 357.434 5.643 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c(C)c1 219529943 DZBKKEGJZQVTSQ-QGZVFWFLSA-N 353.462 5.031 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(C)cc3C)ccc21 223301282 ZIFMBFZEBKFXJH-UHFFFAOYSA-N 356.469 5.612 0 40 FKAB S=C(Nc1ccc(Nc2ccc3ccccc3c2)nc1)NC1CCCC1 224036382 KIEIJPNZXCELOP-UHFFFAOYSA-N 362.502 5.207 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224446604 WHPJWWSVGMPLEQ-HXUWFJFHSA-N 365.860 5.388 0 40 FKAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(C)c(C)c1 224625499 MHHKDDYNFWSDGG-UHFFFAOYSA-N 369.505 5.057 0 40 FKAB Nc1c(-c2cccc(Cl)c2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225177745 ZXKRUAXQIAXEFY-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB Cc1ccc(CSCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225293081 LJSVLLTUYXXHKL-UHFFFAOYSA-N 368.930 5.007 0 40 FKAB S=C(NCCSCc1ccc(Cl)cc1)Nc1ccccc1Cl 225301732 IFCSXEOZXXANGU-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB O=C(Cc1ccccc1Cl)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225434340 TUPFVHYIWZVZGD-IBGZPJMESA-N 369.892 5.225 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225587272 XXLDVPOKULZRQE-UHFFFAOYSA-N 364.967 5.426 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 225868133 HPDMUYUGWDGNPL-UHFFFAOYSA-N 370.468 5.240 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 947074 YVCVSBQRQHLJDS-UHFFFAOYSA-N 351.368 5.020 0 40 FKAB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OCOC(C)=O)cc1 1705433 RZWYEKGKFDVTDP-YADHBBJMSA-N 356.462 5.282 0 40 FKAB COc1cccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)c1OC 3316121 PBJJWQFUKHMUQV-FOCLMDBBSA-N 359.425 5.023 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(-c2ccccc2)cc1 3333881 LEBJWQUORGBKGZ-UHFFFAOYSA-N 367.851 5.347 0 40 FKAB Cc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1C 3655963 GSUYUPADCCNDRI-UHFFFAOYSA-N 359.425 5.161 0 40 FKAB Cc1nc2cc(C(=O)O[C@@H](C)c3ccc(F)cc3)ccc2n1-c1ccccc1 4289268 XHUNBAYLOGKCKO-HNNXBMFYSA-N 374.415 5.391 0 40 FKAB COC[C@@H]1[C@@H](COC)[C@H]2CC[C@@H]1C2(Cc1ccccc1)Cc1ccccc1 4934326 UMROHYYIRSCRMU-YCAMKHIRSA-N 364.529 5.023 0 40 FKAB CCn1c(S)nnc1-c1cc(-c2ccc(C)c(C)c2)nc2ccccc12 5432292 ITGLLDDUPXJLRM-UHFFFAOYSA-N 360.486 5.086 0 40 FKAB Fc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 5477646 QXOQCDXDVHGVEH-UHFFFAOYSA-N 365.433 5.018 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C 5860850 QFYKSTNCHKVEQM-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB Cc1cc(C=O)c(C)n1-c1sc2ccccc2c1C(=O)Nc1ccccc1 5959702 SZOGSHVWEMESTI-UHFFFAOYSA-N 374.465 5.374 0 40 FKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 5971978 WJLBLHXASAUNSO-UHFFFAOYSA-N 354.500 5.103 0 40 FKAB O=C(Nc1cccc(F)c1)N(c1ccccc1)c1cccc2ccccc12 6344392 SPBYIMDWUWIVKO-UHFFFAOYSA-N 356.400 6.349 0 40 FKAB O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(Cl)cc(Cl)c1 6346592 ZPFZYRQCWRJYHF-UHFFFAOYSA-N 360.240 5.468 0 40 FKAB CN(C(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21)c1ccccc1 6356989 MSWPLHVTBLDSCX-UHFFFAOYSA-N 374.484 5.067 0 40 FKAB Cc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6861063 LLNPQBDIFSSLLK-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 7987577 IYFJSEBFOVBBRR-FDDCHVKYSA-N 371.484 5.092 0 40 FKAB Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccncc2)c1 8435792 XJNDFDUFZZCQKB-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2cccc(Cl)c2)o1 12599453 ODAMOGGJKWHVJF-GFCCVEGCSA-N 358.850 5.062 0 40 FKAB COc1ccc(CC(=O)CCSCc2c(C)c(C)c(C)c(C)c2C)cc1 12953299 CAPDGCZIMOLISK-UHFFFAOYSA-N 370.558 5.672 0 40 FKAB Fc1ccccc1-n1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 13281849 JVXYBWNKQGGHIS-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CCCCSc1nc(SC)nc(Cl)c1Cc1ccc(OC)cc1 15584154 JEHHAYLGMOKBPH-UHFFFAOYSA-N 368.955 5.344 0 40 FKAB Cc1ccc2c(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)oc2c1C 15833245 LUEPWXDJWRIPCR-SNVBAGLBSA-N 354.475 5.192 0 40 FKAB Cc1cc(NC(=O)[C@H](Sc2ccc3ccccc3c2)c2ccccc2)no1 16816863 XYWYDZHALIRTKU-OAQYLSRUSA-N 374.465 5.608 0 40 FKAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1Cl 17074703 DQYDLYMZOFAEKQ-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2ccnc2)cc1 23845511 HCQBIDBCDNBLFE-LLVKDONJSA-N 366.774 5.113 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 38771839 FKENDZCWPDTSKT-RXVVDRJESA-N 367.533 5.636 0 40 FKAB C[C@@]1(c2ccccc2)CC(c2ccccc2)(c2ccccc2)c2ccccc21 49959300 NHZVDEWMDVTVLX-MHZLTWQESA-N 360.500 6.731 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2Cl)[nH]n1 57412328 IOYQOKXQKWYHSY-UHFFFAOYSA-N 365.742 5.001 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1 78458982 AKEWWXCCVRFMEA-WIYYLYMNSA-N 353.506 5.462 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 170569261 WUEFUCVSNFVELT-UHFFFAOYSA-N 374.488 5.432 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219369842 SZSMXOXOZJYEBP-SFTDATJTSA-N 353.506 5.345 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 222968346 PPPOGYJWUWWUSS-NHCUHLMSSA-N 353.506 5.364 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 223001236 XYEYJGONRIAPCT-YADHBBJMSA-N 353.506 5.345 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)c(Cl)c1 223014983 YMMNXGHDXANLHA-MRXNPFEDSA-N 356.224 5.237 0 40 FKAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1C 223133292 DPNIEPVSLFBXCK-OAQYLSRUSA-N 351.490 5.154 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1cc2cc3ccccc3nc2s1 223133788 ZIDFBPAAZCEWBI-UHFFFAOYSA-N 360.482 5.827 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1C(C)C 223371201 GVIHECUENMIEJH-GOSISDBHSA-N 369.505 5.000 0 40 FKAB C[C@H](CNC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 223443355 MMFOLZISWLLBOL-CYBMUJFWSA-N 368.329 5.147 0 40 FKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)cc2)c1 409021834 BEROBRHJBYELIM-XDHOZWIPSA-N 367.470 5.019 0 40 FKAB CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccccc1 409111008 AFSFSRSDDLNHAH-UHFFFAOYSA-N 372.559 5.600 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1 409113888 OOEFCRIUSGJSDS-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409135600 QNDDNMREGYTWNJ-WFDRNDOFSA-N 360.501 5.121 0 40 FKAB CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 683167 ZMBNHSCSDLMEEB-UHFFFAOYSA-N 373.562 6.032 0 40 FKAB Cc1ccccc1NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C 1445571 NVXVTFFHRVUKQA-HAIAJLIZSA-N 353.465 5.477 0 40 FKAB CC(C)(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 2054902 HOCNWBVQSMBEAI-YVLHZVERSA-N 374.267 5.635 0 40 FKAB Cc1cc(C)c2oc(=O)cc(-c3oc4c(Cl)cc(Cl)cc4c3C)c2c1 2099341 ORZLUHFVOJEXOF-UHFFFAOYSA-N 373.235 6.438 0 40 FKAB biogenic CCCCC[C@H]1CCC[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2352009 IRWVQKFPMGWMKU-PMACEKPBSA-N 364.529 7.296 0 40 FKAB Cc1cccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)c1 2399262 ZUJVUHZLYHQYCW-UHFFFAOYSA-N 360.460 6.872 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)oc2c1 4487764 ZCJXQJPKWIKDCB-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Clc1ccc(C2=Nc3ccccc3S[C@@H](c3ccco3)C2)cc1Cl 5808813 VFGPIUNLHCSLBX-LJQANCHMSA-N 374.292 6.944 0 40 FKAB CC[C@@H](C)c1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1 6294590 NHWPTAJVBUSNSQ-LLVKDONJSA-N 356.516 5.112 0 40 FKAB C[C@H]1CCc2cc(F)ccc2N1C(=S)Nc1cccc2ccccc12 6571957 VANGIRJOYACLAW-AWEZNQCLSA-N 350.462 5.517 0 40 FKAB CCCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6777982 FYZKGDBJHNMRLB-UHFFFAOYSA-N 355.821 5.242 0 40 FKAB COc1ccc(Cl)cc1CSc1nnc(C2CC2)n1-c1ccccc1 7171605 LTEDQDTVRUAWLN-UHFFFAOYSA-N 371.893 5.099 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 8041147 FDOLXVYXZKDGJI-QFIPXVFZSA-N 359.469 5.058 0 40 FKAB C[C@@H]1[C@@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 12657997 DYGSLTDGTPXLQY-OLIQAWCMSA-N 355.305 5.524 0 40 FKAB C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1F 12879043 HVYXWUXWGZGEKC-ZIAGYGMSSA-N 370.855 5.310 0 40 FKAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(C)c1 12919004 MWEKTTPEGWDLSG-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccncc1 13005847 ZXHGJGKTKQUVIM-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB c1csc(-c2c/c(=N\c3ccc4c(c3)OCCO4)c3ccccc3o2)c1 13721983 MBLQJRUILPSROH-CJLVFECKSA-N 361.422 5.165 0 40 FKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Sc1ccccc1 14397917 MKCPUXHTJUDQJS-OAHLLOKOSA-N 367.445 5.383 0 40 FKAB CC(C)(C)CC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 32506010 YEJZJWOPGVUDHT-UHFFFAOYSA-N 373.522 5.169 0 40 FKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3ccc(Cl)cc3)c1-2 59501083 VMENYCSNBKPMER-UZYVYHOESA-N 372.946 6.331 0 40 FKAB Clc1cccc2sc(-c3ccc(I)cc3)nc12 73638895 HXGQYMDOBDXLRV-UHFFFAOYSA-N 371.630 5.221 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccc2cc[nH]c2c1 96114548 VOEPMIHCMHWJCI-GOSISDBHSA-N 363.848 5.110 0 40 FKAB biogenic O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 106685313 LIJLVMQGYBAZFB-MFOYZWKCSA-N 368.845 5.058 0 40 FKAB C[C@]12CCC(=C3C=CC=C3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118922995 SIECXYXJFIDLDH-WMTMLEDQSA-N 352.562 6.203 0 40 FKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926509 YRMMDRYFJOUBOL-MCTVSQGJSA-N 360.582 5.335 0 40 FKAB C[C@@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 216841412 VAXFQKMUDFCHEL-HUUCEWRRSA-N 354.881 5.626 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(C)cc2)cc1C(C)C 223309856 UBMJMCDAVVJNCD-GOSISDBHSA-N 353.506 5.245 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C 225226867 KHTRBULVQIGODR-AWEZNQCLSA-N 365.901 5.207 0 40 FKAB C[C@@H]1[C@H]([C@]2(C)CC[C@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 252693547 DYGSLTDGTPXLQY-DWZBTVLISA-N 355.305 5.524 0 40 FKAB biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OCc1ccccc1 253617253 PFVCATKPVAAICJ-KSPBMBKWSA-N 366.589 7.005 0 40 FKAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 409000481 YJIBNGPWMZCUFV-JOCHJYFZSA-N 374.509 5.796 0 40 FKAB CCCc1cc2c(=O)c(-c3ccccc3)coc2cc1OCc1ccccc1 1799847 MBRHBPTWQMXMAC-UHFFFAOYSA-N 370.448 5.992 0 40 FKAB biogenic Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1 2250270 VQQLFJPXVUTYRC-UHFFFAOYSA-N 350.425 5.003 0 40 FKAB CC(C)(C)c1ccc(COc2ncnc3ccc(Br)cc23)cc1 3287950 NIDYXUJANYDARH-UHFFFAOYSA-N 371.278 5.269 0 40 FKAB CCCCC(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655543 QEUWCXDCZIPCLJ-UHFFFAOYSA-N 355.821 5.446 0 40 FKAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(C(C)C)cc1 3895923 GYWKZNVXJDIVBU-DXRWIZHMSA-N 372.553 5.106 0 40 FKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 3897176 MOGJPPSIXXQCEH-QFIPXVFZSA-N 366.420 5.149 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccccc2)(c2ccccc2OC)CCO1 4111106 ZDVSWFOKMBUCNJ-DNQXCXABSA-N 367.533 5.092 0 40 FKAB O=C(NC1CCCCC1)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 4680651 FGFZFBIRTGQMEO-UHFFFAOYSA-N 370.305 5.256 0 40 FKAB COc1ccc(-c2nnc(COc3ccc(-c4ccccc4)cc3)s2)cc1 4690947 LAHHQUDHXWWBLX-UHFFFAOYSA-N 374.465 5.460 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)Cc1ccccc1-2 4699739 SCHHKPRLWWASHX-UHFFFAOYSA-N 365.432 5.429 0 40 FKAB CN1C(=O)/C(=C/c2ccccc2)N=C(c2ccccc2)c2cc(Cl)ccc21 5766365 YMSALVLONPNEHD-ZHZULCJRSA-N 372.855 5.195 0 40 FKAB C[C@@H](CC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 6260008 HHZRDPQAPORSHJ-NSHDSACASA-N 352.659 5.235 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 6396848 KCGBMYJTYXBPNG-NTCAYCPXSA-N 364.489 5.591 0 40 FKAB COc1cc(C)c(NC(=S)Nc2ccc(Cl)cc2Cl)cc1OC 7777130 SHBBVTPAACGVAC-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H](c1ccccc1)c1ccco1 7808742 ISJJJNMXMYPTDA-IBGZPJMESA-N 360.240 5.035 0 40 FKAB CCOCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8253196 FRKRIIHNJXBTOY-UHFFFAOYSA-N 368.304 5.089 0 40 FKAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 8986926 KGEMXMMWRVQQMF-KRWDZBQOSA-N 354.453 5.255 0 40 FKAB COc1ccccc1NC(=O)N(C1=NCCCCC1)c1cccc(C)c1 10166042 GGSNPBHJDNGBHH-UHFFFAOYSA-N 351.450 5.015 0 40 FKAB COc1ccc(-c2cc(CSc3nnc(C4CCCCC4)o3)on2)cc1 11455931 ZICRKEDCYQYVFG-UHFFFAOYSA-N 371.462 5.073 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)c1 12524853 DGNHLBHVACZFMN-UHFFFAOYSA-N 359.454 5.275 0 40 FKAB Cc1ccc2oc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc(=O)c2c1 12909671 ITICAAXOEYBOCU-UHFFFAOYSA-N 371.392 5.146 0 40 FKAB CCCCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OC 14257869 YCBJVEMVVLAGDZ-UHFFFAOYSA-N 354.475 5.491 0 40 FKAB CCc1nc2ccccc2n1CC(=O)Nc1c(C(C)C)cccc1C(C)C 15978167 BVFJQUGABVNHLB-UHFFFAOYSA-N 363.505 5.484 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(SC)c1 20491343 MWBHPTMPEQMOCC-INIZCTEOSA-N 351.924 5.571 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)c(Cl)c1 20672125 GUCOHORBQXJZBS-UHFFFAOYSA-N 369.827 5.236 0 40 FKAB Cc1nn2c(-c3ccc(-c4ccccc4)cc3)ccnc2c1-c1ccccc1 21005819 QIFHJAFCVSWXCF-UHFFFAOYSA-N 361.448 6.039 0 40 FKAB CCCCc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 28210389 WMOOMNKQLJOXPY-UHFFFAOYSA-N 351.475 5.108 0 40 FKAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)cc1 30852131 BSEOITGYFUWHQH-DEOSSOPVSA-N 373.496 5.362 0 40 FKAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccc2ccccc12 32092442 JEPYAHGTHPRUNV-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB Cc1cc2oc(C(=O)Nc3ccc(C)c4ncccc34)c(C)c2cc1Cl 41157608 FEIQTKBBZWXAKG-UHFFFAOYSA-N 364.832 5.812 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c1 44781880 GDYMZZQSMCPAST-UHFFFAOYSA-N 358.441 5.264 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1c(Cl)cccc1Cl 44886359 SEZMKZHWOYVVBO-OAHLLOKOSA-N 352.261 5.406 0 40 FKAB Cc1occc1CN(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 58062733 QGKKDUGHNRYIRB-FQEVSTJZSA-N 351.471 5.080 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)N1CCC(c2ccsc2)CC1 75157148 YAQAYMSCHLPFDO-UHFFFAOYSA-N 365.498 5.320 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 78458237 FOBSYSFGAZUKGG-ZWKOTPCHSA-N 353.506 5.326 0 40 FKAB CC(C)C[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)N1CCCC1 89821012 AMHPTDCNSVGQRW-HNNXBMFYSA-N 365.443 5.176 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2O1 225301921 CLVMCVGZNVPGIT-IBGZPJMESA-N 371.908 5.471 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(C)c(C)c2)c2ccccc2)c1 225697754 SEWQDZPGOQBGDS-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB Fc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1F 225808900 AZAIHCCZVGJIBB-UHFFFAOYSA-N 356.441 5.037 0 40 FKAB c1ccc(-c2ccc3oc(C(c4ccccc4)c4ccccc4)nc3c2)cc1 226236592 AJPHEAZCGLBOOG-UHFFFAOYSA-N 361.444 6.675 0 40 FKAB Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@@H]2CCC[C@H](C)[C@H]2C)c(F)c1 257173413 MHHRKMAVONKKHN-LDHQQMMRSA-N 366.480 5.525 0 40 FKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409137605 WEHUWERLMLEBOE-SJPXOZHESA-N 373.518 5.481 0 40 FKAB CC[C@@H](C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1 575360403 COTFSHHSOQDSFP-CYBMUJFWSA-N 360.297 6.101 0 40 FKAB Cc1ccccc1Cc1nc(O)c2c(-c3ccc(F)cc3)c(C)sc2n1 644988590 QHMDFQBXZNHKIL-UHFFFAOYSA-N 364.445 5.411 0 40 FKAB Cc1cccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C 682537 ZPXMIXWAIMBOIR-GOSISDBHSA-N 358.437 5.244 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2cccs2)n1 1385564 MPVGITPZXRDRNP-UHFFFAOYSA-N 354.378 5.143 0 40 FKAB COc1cccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 2126514 DFXGGGAMTVPAHN-UHFFFAOYSA-N 358.393 5.048 0 40 FKAB biogenic O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1c(Cl)cc(Cl)cc1Cl 2619503 FEPQNWQFUFKWBP-SQROSPRLSA-N 370.623 5.666 0 40 FKAB Fc1ccc(-c2nnc(Nc3ccc(F)c(Cl)c3)c3ccccc23)cc1 2889041 SGCQPBCSTCJRSA-UHFFFAOYSA-N 367.786 5.972 0 40 FKAB O=C(N[C@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 3184508 MFTRODOJGRLSBH-CYBMUJFWSA-N 363.071 5.181 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)c2cc3ccccc3o2)cc1 3382861 UFFUHVUPUYZKNM-XMMPIXPASA-N 368.436 5.686 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 3850030 KCBHZVKBMOMXJF-LIDUXKKMSA-N 358.566 6.297 0 40 FKAB FC(F)(F)c1cccc(Sc2cc(Cl)c(-c3ccccc3)nn2)c1 4085458 KNHFDKWITRCXCS-UHFFFAOYSA-N 366.795 5.967 0 40 FKAB CC1(C)OC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21 4106007 IHSOGNLMQLLNPX-UHFFFAOYSA-N 356.727 5.557 0 40 FKAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(-c2ccccc2)cc1 4147693 BIPKAZHTPYGKFD-UHFFFAOYSA-N 365.454 5.153 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc12 4577101 FVDPOSCBCPLTSN-UHFFFAOYSA-N 351.405 6.300 0 40 FKAB Cc1cccc(C)c1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1 4887638 BTUHIRZCYMKQSQ-VCSGRIEYSA-N 369.553 5.143 0 40 FKAB CC1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CC1 6515660 PQLPOLVISJFJRH-UHFFFAOYSA-N 374.484 5.094 0 40 FKAB CCn1c(C)nc2cc(-c3nnc(Nc4ccc(Cl)cc4)s3)ccc21 6603809 UEZRHEJEYZQPES-UHFFFAOYSA-N 369.881 5.280 0 40 FKAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 6630965 YOPXXEZHXAXDES-HNNXBMFYSA-N 356.535 5.430 0 40 FKAB Nc1c(Cl)cc2oc(-c3ccccc3Br)nc2c1Cl 6927177 QGBJWLPQBFRJPQ-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB COc1ccc(C)cc1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 9918678 JLYLTASNJWYFAX-UHFFFAOYSA-N 373.496 5.184 0 40 FKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccs4)n3)oc12 10749457 PFZUUHBCKBOXMK-UHFFFAOYSA-N 370.455 5.269 0 40 FKAB Cc1occc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 12544689 SQGVCAMESXSRJZ-UHFFFAOYSA-N 367.355 5.252 0 40 FKAB COc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1Cc1ccccc1 12996452 VCIMXUNVHOLAPS-UHFFFAOYSA-N 369.823 5.331 0 40 FKAB O=C(Nc1nc2ccccc2s1)c1cccnc1Sc1ccccc1 14825929 OWCKQJHLBBBERV-UHFFFAOYSA-N 363.467 5.095 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)SCCOc2ccc(Cl)cc2)c1 15492180 YVJUBVJKQRYLGF-HNNXBMFYSA-N 363.910 5.096 0 40 FKAB Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1[C@H](O)CC(C)(C)C2 16740267 SAVZTUWUBWEQFI-GFCCVEGCSA-N 373.499 5.136 0 40 FKAB C[C@H](CCOP(=O)(O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 17315708 LPOAIFBVIQAMFA-IYBDPMFKSA-N 350.480 6.045 0 40 FKAB CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(OCC)cc1 18192525 KMOAYMQMLDKQJY-UHFFFAOYSA-N 372.515 5.475 0 40 FKAB C[C@H](NCc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 32891610 YUIVYKSHEMQCME-NSHDSACASA-N 364.301 5.363 0 40 FKAB C[C@H]1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c2ccccc2S1 40134970 VLLQZMQOBMZHHA-AWEZNQCLSA-N 369.534 5.047 0 40 FKAB Cc1cc(C)c2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 57315613 GHTMQJGXTAYTBV-PKNBQFBNSA-N 374.465 5.825 0 40 FKAB Cc1cc(C)c(C)c(SCc2nc3c(oc4ccccc43)c(=O)[nH]2)c1C 61141753 ATCQQWNYINODHH-UHFFFAOYSA-N 364.470 5.195 0 40 FKAB CC(C)CNc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72213284 DRMLKRMPKXSMME-FQEVSTJZSA-N 367.493 5.013 0 40 FKAB CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214923 QTYWKGHCZMEWBH-GOSISDBHSA-N 361.530 5.169 0 40 FKAB CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215406 VMQYTVYMSRJUJL-LJQANCHMSA-N 373.541 5.313 0 40 FKAB S=C(COc1ccc2ccccc2c1)Nc1ccc2scnc2c1 85436337 HTLFHUBCQCCYTN-UHFFFAOYSA-N 350.468 5.268 0 40 FKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C1CCCC1)C1CC1 89764328 OTZPPJVZUKEGAN-UHFFFAOYSA-N 365.317 5.271 0 40 FKAB CCCCCOc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915482 PMCVMFBRECWSKF-UHFFFAOYSA-N 355.360 6.613 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)c1 96037412 ISWDGDVZXACJOT-UHFFFAOYSA-N 371.484 5.412 0 40 FKAB CCOc1ccc(/N=c2/scc(-c3ccc(F)cc3)n2C2CC2)cc1 103370569 RUEBJZATYACVFH-LSDHQDQOSA-N 354.450 5.322 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222873708 FWAAVBVQVSWINN-HXUWFJFHSA-N 369.917 5.680 0 40 FKAB Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 223343121 YQTLEMDXCMWYAQ-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225452971 RUUHZRMGUPCVMH-UHFFFAOYSA-N 364.539 6.096 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2F)c(C)c1 225611328 KHPVTVJKTWZMLO-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c3ccccc23)CCC[C@H](C)C1 225855718 CNPZTYOIMILSTQ-SBUREZEXSA-N 369.505 5.553 0 40 FKAB C[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1 245227261 IWJZDETVJSSMLD-OUIFVKKZSA-N 370.540 5.396 0 40 FKAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257348798 IYZAKBWNGQBORB-UNJLPGLBSA-N 360.538 5.168 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]23)[C@H]1C 257349872 SABPQGKCDGUYAI-GGUARCEHSA-N 374.609 6.994 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1ccc(CSc2ccccc2)cc1 408785756 YVOYYMDCNCKWLW-UHFFFAOYSA-N 369.489 6.384 0 40 FKAB CCOC(=O)c1c(C)n(CCC2CCCC2)c2c1cc(O)c1ccccc12 718047 MBZUEHLWGWEYTC-UHFFFAOYSA-N 365.473 5.566 0 40 FKAB Cc1cc(=O)oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2119287 OWGYTXKYJAOUCB-UHFFFAOYSA-N 352.389 6.182 0 40 FKAB biogenic CCCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCCC2 2740716 CFVXVKLXSLXUBW-UHFFFAOYSA-N 363.523 5.103 0 40 FKAB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 3183703 JAFTUMJBKKEHFX-UHFFFAOYSA-N 366.288 5.617 0 40 FKAB CCCCCC[C@@H](C/C=C/CCCCCCCC(=O)OC)OC(C)=O 3875897 CMOYPQWMTBSLJK-IXDOJHRFSA-N 354.531 5.739 0 40 FKAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 4309447 WELADDDGUMBQMG-QHCPKHFHSA-N 372.468 5.590 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 4578228 QFRZTDAOQIGOGL-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 5248988 CINKMFFABSGGRE-HSZRJFAPSA-N 365.436 5.135 0 40 FKAB CCCOc1c(Cl)cc(CNc2cccc(Cl)c2)cc1OCC 6398370 AKZSBXDUPBVQTG-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 6652101 DVISFRJQJFTZQH-AWEZNQCLSA-N 357.375 5.279 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OCC 6880747 JNCJOLNOAAPHJV-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)OCc1nc2ccccc2s1 7618838 KOZJOTLBXWJZEV-UHFFFAOYSA-N 366.467 5.085 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 8297640 NPXKDHPCRSWUMW-UHFFFAOYSA-N 352.459 5.167 0 40 FKAB Cc1cccc2c(C(=O)N(C)C3CCCCC3)cc(-c3ccccc3)nc12 8471963 BLWZFOSEABNRJR-UHFFFAOYSA-N 358.485 5.615 0 40 FKAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc1 10156570 XBGCROBYEOMNJP-SFHVURJKSA-N 357.457 5.058 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 13710815 SUUTYVGTPLZUGG-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB C[C@@H]1CCCC[C@@H]1N1CN(c2ccccc2)C(=S)N(c2ccccc2)C1 20374907 XDQUFZGDZXHXFK-NQIIRXRSSA-N 365.546 5.094 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN([C@H](C)c1ccccc1)C3 20609882 BTMXKFUSJFHESO-MRXNPFEDSA-N 363.457 5.049 0 40 FKAB biogenic Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 26805864 QHNHOPGNIVXQAS-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30863745 SCKNKLKBOQHGEI-XLIONFOSSA-N 353.506 5.327 0 40 FKAB Cc1cc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2[nH]1 32818528 YSFOGOJXNZIKCW-UHFFFAOYSA-N 363.642 5.145 0 40 FKAB Cc1ccn2c(Nc3cccc(Cl)c3C)c(-c3ccccc3O)nc2c1 35616270 NIDSGXDBXFGWJS-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB Cc1c(OCc2ccc(Cl)cc2)ccc2c3c(c(=O)oc12)CCCC3 55415581 XZCLHTGMVZQBJA-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB CCN(CCCNc1cc(C(F)(F)F)nc2ccccc12)c1ccccc1 89969196 ANFGFGUSPOMXOO-UHFFFAOYSA-N 373.422 5.582 0 40 FKAB c1ccc2oc(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)cc2c1 96193984 MVKRZHHAOQTUMJ-UHFFFAOYSA-N 358.382 5.012 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(Cl)cc1Cl 216246971 WWSBWUBFGVLVGF-QGZVFWFLSA-N 366.288 5.084 0 40 FKAB CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(C)cc1 222693531 UOVFLAFGHOVXBV-IBGZPJMESA-N 361.938 5.788 0 40 FKAB O=C(NCC1=CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 223394364 FXOVXQUPUFFTFI-UHFFFAOYSA-N 371.933 5.863 0 40 FKAB Cc1ccccc1Nc1ccc(NC(=S)N[C@H](C)c2ccccc2)cn1 223959464 XOQNJLPZWWPXHD-MRXNPFEDSA-N 362.502 5.181 0 40 FKAB CC(C)C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225355820 WAUZCPXOIWGUKC-LJQANCHMSA-N 364.316 5.830 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522230 XAHSJMTUIRZNIB-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB CCCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OCC 409113013 HRGGLUPRCUFZPT-UHFFFAOYSA-N 368.304 6.101 0 40 FKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)oc2cc1C 848954 MDLYGJQWNHKXAY-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB Cc1cc(-c2ccccc2)n([C@@H](C(=O)c2ccccc2)c2ccccc2)n1 1558144 MZYGWTXNDWIMNK-HSZRJFAPSA-N 352.437 5.331 0 40 FKAB CCN(CC)c1ccc(N[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 1666867 OEDDKYYTZPXGJB-ZEQRLZLVSA-N 360.501 5.420 0 40 FKAB CCCCOC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 1801415 DXEXZSZKMDXIOH-UHFFFAOYSA-N 353.462 5.193 0 40 FKAB O=C(O)c1ccccc1Sc1ncnc2scc(-c3ccccc3)c12 2633023 QNAVYABNYJQGGZ-UHFFFAOYSA-N 364.451 5.208 0 40 FKAB CCN(C(=O)C1CCC(C(C)(C)C)CC1)c1nc2c(C)cccc2s1 3328421 RETGCXBKUHLLDK-UHFFFAOYSA-N 358.551 5.810 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@]2(C)c2cc3ccccc3o2)cc1 3382857 UFFUHVUPUYZKNM-DEOSSOPVSA-N 368.436 5.686 0 40 FKAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 4070258 JTPQSSBAQXMZEC-UHFFFAOYSA-N 364.879 5.176 0 40 FKAB O=C(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 4362660 NGNPHNWIFLLNLJ-URVUXULASA-N 353.893 5.442 0 40 FKAB Fc1ccc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1 5174443 NEJYXDRQACMYFL-UHFFFAOYSA-N 360.457 5.971 0 40 FKAB O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)c1ccc2c3c(cccc13)CC2 5514362 KKJOLEXUXBCXBB-XMSQKQJNSA-N 359.469 5.063 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(C(F)(F)F)cc1 6890626 ZJJOLQYNDNERNK-UHFFFAOYSA-N 372.371 5.721 0 40 FKAB Cc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1C 8051630 VCWTVMXVIAWJJL-UHFFFAOYSA-N 362.517 5.362 0 40 FKAB Cc1ccc(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 8316036 YXXSRXBWMCPUFG-ZRDIBKRKSA-N 365.864 5.103 0 40 FKAB O=C(Nc1ccnn1C1CCCCC1)C(c1ccccc1)c1ccccc1 8325401 AMNVLSLYRIEWHR-UHFFFAOYSA-N 359.473 5.159 0 40 FKAB S=c1sc(SCc2nc3ccccc3o2)nn1-c1ccccc1 8542369 XTJJSZPPILDKAJ-UHFFFAOYSA-N 357.485 5.097 0 40 FKAB C[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccc(Cl)cc3c2O)C1 8717281 QXXZQCPYBXRKBK-HNNXBMFYSA-N 366.892 5.493 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1C 13364400 KGZIJXONWGXHRD-OAQYLSRUSA-N 373.431 5.694 0 40 FKAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1NC1CCCCCCCCCCC1 13896011 OMJTVXLIJOZBKW-QHCPKHFHSA-N 374.613 6.088 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 14553115 DOAAZSIHNPVBIC-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl 17074702 GUBIVUOJJZWOON-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB Cc1noc2c1N=C(c1ccc(F)cc1)C[C@H](c1ccccc1Cl)C2 19872789 GTYMSOMJONMQGC-AWEZNQCLSA-N 354.812 5.626 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 20551337 HLPCBPLNGJMKFY-LBPRGKRZSA-N 354.302 5.104 0 40 FKAB C[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc2S1 24585842 XENXGXUEAOATHJ-LBPRGKRZSA-N 372.540 5.403 0 40 FKAB CSc1nn(-c2ccc(F)cc2)c(-c2ccccc2)c1-c1ccccc1 26897137 DMMPCUHTISOCEZ-UHFFFAOYSA-N 360.457 6.067 0 40 FKAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)c1ccco1 26963086 VPMTYDALIQRSNY-UHFFFAOYSA-N 372.211 5.153 0 40 FKAB Cc1ccccc1OCc1ccc(C(=O)OCc2ccccc2Cl)o1 28577958 VNEDGZWAFFILFJ-UHFFFAOYSA-N 356.805 5.177 0 40 FKAB CC(C)(C)N1C[C@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 36046447 XMFSKUXGHWGRAM-BJKOFHAPSA-N 369.508 6.008 0 40 FKAB Cc1cc(C)c2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)[nH]c2c1 85345331 KCJAVSANNVJNMK-UHFFFAOYSA-N 357.240 6.414 0 40 FKAB CC[C@@H](C)[C@@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918403 RVIKYYISNDYLSJ-ZWNOBZJWSA-N 359.379 5.463 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 218967444 MZOXUWFADQTWRQ-GOSISDBHSA-N 353.506 5.166 0 40 FKAB CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 254518503 YRCNIUXLLWXXGR-UHFFFAOYSA-N 359.292 5.231 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Br)cc2)cc1 408628840 DFFBWUURVQLWNI-CQSZACIVSA-N 373.294 5.080 0 40 FKAB Cc1ccc2cc(C(=O)CCC(=O)Nc3cccc4ccccc34)ccc2c1 408834990 VSPMNYZKVNCFBX-UHFFFAOYSA-N 367.448 5.903 0 40 FKAB Cc1cn(C2CCCCC2)nc1NC(=O)N[C@H](C)C1CCC(F)(F)CC1 654035988 GWLNKOWMUAABBC-CQSZACIVSA-N 368.472 5.032 0 40 FKAB O=C1c2ccccc2N[C@@H](c2cccc3cccnc23)N1c1ccc(F)cc1 669326 WLLYSAISAFWUFF-JOCHJYFZSA-N 369.399 5.145 0 40 FKAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1 861813 REDXCVKOQFZGCZ-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB O=c1oc2cc(OC/C=C/c3ccccc3)c(Cl)cc2c2c1CCC2 1797583 WJFYZLKFCRQDQN-VMPITWQZSA-N 352.817 5.027 0 40 FKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(C(C)=O)cc3)c2c1 1892380 ZEDRZFNLIJHGIV-WNAAXNPUSA-N 367.448 6.097 0 40 FKAB CN(C)CCCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2049806 UGOTXSLCXOYVGG-LJQANCHMSA-N 363.979 5.773 0 40 FKAB CC(C)(C)c1cc(C2=N/C(=C/c3ccccc3)C(=O)O2)cc(C(C)(C)C)c1 2054479 OBRLGJGVGFZVCM-UDWIEESQSA-N 361.485 5.626 0 40 FKAB CCCC[C@H](CC)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 2070618 BFLUTOJINMPYSW-JTQLQIEISA-N 372.321 5.781 0 40 FKAB Cc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1 2226983 ZYUDIYSRHLZZRH-UHFFFAOYSA-N 354.457 5.245 0 40 FKAB CCCCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2790538 BWTLWMOSDQQCHW-UHFFFAOYSA-N 359.897 5.789 0 40 FKAB CC(=O)c1ccc(OCCCCCCCOc2ccc(C(C)=O)cc2)cc1 3022418 IQTUZJFQNYEZKG-UHFFFAOYSA-N 368.473 5.500 0 40 FKAB Fc1ccc(-c2csc3ncnc(Oc4ccc(F)cc4Cl)c23)cc1 3237520 OTPAHUGEPLJIDU-UHFFFAOYSA-N 374.799 6.082 0 40 FKAB CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849781 ORZBNFZTRWEXII-PSPPXZTJSA-N 360.538 5.310 0 40 FKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1Oc1ccccc1 4059118 PEEORLZNVYNTHI-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB CCCn1cc(SCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 4060607 XCPIQJKOGJSPCS-UHFFFAOYSA-N 366.530 5.707 0 40 FKAB CCCC[C@H](CC)COC(=O)CSCC(=O)OC[C@@H](CC)CCCC 5822107 KYWZILPIDASSGE-ROUUACIJSA-N 374.587 5.239 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccc(OCc2ccccc2)cc1 6282324 PEZSYAUDOMJEGN-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB Fc1ccccc1NC(=S)N(CCc1ccccc1)Cc1ccccc1 6885120 DRLWDGNEZBMIJI-UHFFFAOYSA-N 364.489 5.267 0 40 FKAB Cc1ccccc1-c1cc(-c2ccccc2)c2c3c(sc2n1)CCCC3 7847570 QEFPNAUKIRERPM-UHFFFAOYSA-N 355.506 6.818 0 40 FKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 8040673 QRBYBXPRXSQSNR-LJQANCHMSA-N 365.404 5.414 0 40 FKAB Cc1cc(NC(=O)CC(C)C)cc(-c2nc3cc(Cl)ccc3o2)c1O 9053121 XIBCVPCLWWLJBZ-UHFFFAOYSA-N 358.825 5.147 0 40 FKAB Cc1ccc(OCCCCn2c(-c3cccs3)nc3ccccc32)cc1 12461744 HSSRNBAOUUWSET-UHFFFAOYSA-N 362.498 5.932 0 40 FKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(Cl)c1Cl 12819231 MWISWKKAPYAAST-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1sc(-c2ccsc2)nc1C 12923492 FINYZOOZYFDYMP-UHFFFAOYSA-N 356.516 5.864 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(F)cc3)o2)cc1Cl 16313100 IFOMTLRVIHCQEU-PKNBQFBNSA-N 355.796 5.699 0 40 FKAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20633102 FRMFAYQEONLEGL-LJQANCHMSA-N 374.484 5.225 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1 22237712 YCLIWQWLHKUSSS-UHFFFAOYSA-N 357.866 5.125 0 40 FKAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccccc3Cl)c2n1 27585518 IERGYJYIMSHPLN-ZIAGYGMSSA-N 368.912 5.149 0 40 FKAB CCN(C(=O)CC(C)C)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27992387 PPPYFVSKSFBIQJ-QHCPKHFHSA-N 364.489 5.161 0 40 FKAB CCCC[C@@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 29037377 CTHUKURTASAUTM-OAQYLSRUSA-N 365.473 5.183 0 40 FKAB in-vitro Cc1cccc(C)c1NC(=O)CSC(c1ccccc1)c1ccccc1 29146396 YGZUQJFBYPGQMY-UHFFFAOYSA-N 361.510 5.765 0 40 FKAB COc1ccc([C@@H](C)NCc2ccc(-c3ccccc3F)s2)cc1F 30628262 HYRMNTFSXCWSBC-CYBMUJFWSA-N 359.441 5.553 0 40 FKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39749073 LFXMWOVJJQPQKS-UHFFFAOYSA-N 370.924 5.062 0 40 FKAB Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838248 TXTPMFHEFPCSRM-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 70140165 RRGHVZXTVRPHEB-UHFFFAOYSA-N 358.157 5.029 0 40 FKAB C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 71405939 XGLKDUGOKWXBRC-VGOFRKELSA-N 371.436 5.162 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(Cl)c1C 71761785 GUSMBLZXSAMAKT-UHFFFAOYSA-N 355.290 5.428 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)N1CCC[C@H]1c1cccc(F)c1 71818673 OFGGZKUQJBRWRQ-SFHVURJKSA-N 367.449 5.318 0 40 FKAB Cc1ccccc1Oc1ncccc1NCc1csc(-c2ccccn2)n1 97379310 NXUCYHLVFIFLQM-UHFFFAOYSA-N 374.469 5.313 0 40 FKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1c1ccccc1 102734457 LBAHKTOFCUSYOR-UHFFFAOYSA-N 367.861 5.230 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)NCc1cccc2ccccc12 222898050 JAKOIAPWAWCRTP-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223473463 KFDCANCNGLQSGH-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(C)cc1 224119150 ITVQXYCYGSOUDG-UHFFFAOYSA-N 367.489 5.035 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl 225376713 XOFXLMKNTSANCO-UHFFFAOYSA-N 370.707 5.328 0 40 FKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccccc2Cl)c1 225564164 VWZJMKRGNJQYQV-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCCC)c(C)c1 225908564 UTDOCKVCSJOVRI-OAQYLSRUSA-N 364.530 5.273 0 40 FKAB COc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 408551024 AERSKFZDOFOGCA-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1Cl 409122367 YSCPSLFTBFWRRC-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB C[C@@H](Nc1ncnc2c1oc1ccccc12)c1nc(-c2ccccc2)cs1 501247451 RTPCDIYFNJDUKN-CYBMUJFWSA-N 372.453 5.673 0 40 FKAB O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)C(Cl)(Cl)Cl 575359918 AINPWAKVIWWEGV-UHFFFAOYSA-N 359.480 5.277 0 40 FKAB Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 959318 ISEOZSUKPBLEEM-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB S=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 1441389 AGDHYDCTTQUWFQ-UHFFFAOYSA-N 374.347 5.079 0 40 FKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccs1 2394620 MMXWZSCQMGIIKS-UHFFFAOYSA-N 356.303 5.143 0 40 FKAB Fc1ccc(Sc2nc3ccccc3cc2-c2ccc(Cl)cc2)cc1 3049384 BFIFCDWMFQQZJT-UHFFFAOYSA-N 365.860 6.846 0 40 FKAB CC(=O)O[C@@H](c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 3204279 ICULVDWQVWOLNU-VWLOTQADSA-N 356.465 5.223 0 40 FKAB Clc1ccc(-c2csc3ncnc(NC4CCCCCCC4)c23)cc1 3301261 QYVNKMLFIQBMSE-UHFFFAOYSA-N 371.937 6.537 0 40 FKAB CCCc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1 3332943 DMYWQGUJSQXXHT-UHFFFAOYSA-N 354.450 5.083 0 40 FKAB CSCc1c(C(=O)N[C@H]2CCCc3ccccc32)oc2ccccc12 3387803 NUVIZYPXDXAEDS-SFHVURJKSA-N 351.471 5.103 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc(Cl)ccc2[nH]1 4775464 OIHDGGJLAOMANO-UHFFFAOYSA-N 362.816 5.866 0 40 FKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)cc4)c3c2c1 4969970 BITXVSHCFXDGPI-UHFFFAOYSA-N 367.427 5.942 0 40 FKAB Cc1nc(N)sc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 5587361 PSRBFZYHBMLOMU-UHFFFAOYSA-N 351.862 5.569 0 40 FKAB Cc1ccc(-n2nc(C)c(-c3ccccc3C(=O)O)c2-c2ccco2)cc1 5601352 LKWCJJBLJXLKLQ-UHFFFAOYSA-N 358.397 5.114 0 40 FKAB O=C(Nc1cc(C2CCCCC2)ccc1O)Nc1cccc2ccccc12 5605017 BCQLSBLFEHARLS-UHFFFAOYSA-N 360.457 6.237 0 40 FKAB CC[C@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 5910442 OJMHEEXGMJLVMN-SFHVURJKSA-N 374.484 5.315 0 40 FKAB Cc1cc(Oc2ncnc3sc4c(c23)CCC4)c(C(C)C)cc1Cl 5938028 LDIGGONXFHTHNA-UHFFFAOYSA-N 358.894 6.058 0 40 FKAB CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 6057474 CJIVEIGEDCEBIV-UHFFFAOYSA-N 370.543 5.074 0 40 FKAB c1ccc(-c2cnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 6128763 RVQNFSWAVWIYDA-UHFFFAOYSA-N 374.469 5.092 0 40 FKAB CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(C)cc1 6226111 JNZYQVBAJKWCTD-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB COc1ccc([C@@H]2Nc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 6678038 MRKZVZNQAMCIHA-DHIUTWEWSA-N 373.431 5.110 0 40 FKAB Clc1ccc(OCCCCn2c(-c3ccco3)nc3ccccc32)cc1 6752658 RUSBKMOSOFFZGR-UHFFFAOYSA-N 366.848 5.809 0 40 FKAB O=C(CSc1ccc2ccccc2c1)NC12CC3CC(CC(C3)C1)C2 6850174 IQQDKOSVUMGWRQ-UHFFFAOYSA-N 351.515 5.017 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 7748228 ZSMDRXQYOUJQRN-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB c1ccc2sc(CN3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 8004871 FIHBWSKHTKCXGU-MRXNPFEDSA-N 365.527 5.633 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 8041462 ZVCBNMYFWRVOOB-SFHVURJKSA-N 361.441 5.502 0 40 FKAB Cc1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 8372758 UYLUHNMAYBQNOV-UHFFFAOYSA-N 358.816 5.154 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N(CC)CC)cc1 8382820 TZFBUSDMHWKZHW-UHFFFAOYSA-N 362.473 5.337 0 40 FKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9355391 PGAXKZVBRTYXAF-HJPURHCSSA-N 352.437 5.474 0 40 FKAB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cccs3)C[C@@H]21 13036497 LSKHKPCKQAPKJF-HNAYVOBHSA-N 368.483 5.061 0 40 FKAB CCCn1c(NC(=O)c2cc(SC)ccc2Cl)nc2ccccc21 14626239 KJNWLWAUYKIRBO-UHFFFAOYSA-N 359.882 5.074 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 15352028 XQFWWZCKRBFXJU-UHFFFAOYSA-N 361.272 5.098 0 40 FKAB CC[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 15603387 JVZCHCPZACWNHS-HNNXBMFYSA-N 357.544 5.089 0 40 FKAB Cc1cc2oc(C(=O)N(Cc3ccccc3F)C3CC3)c(C)c2cc1C 15832138 XWJXCOBORAGOPJ-UHFFFAOYSA-N 351.421 5.302 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccs1)C2=O 17118359 KEFQOADBHMAFFK-KEWPDOHGSA-N 368.586 6.743 0 40 FKAB COc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 27745013 KSISZNRDYLJTSQ-UHFFFAOYSA-N 374.484 5.235 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cccc(C)c3OC)sc2c1 32118631 IBFHHVWODRAQHJ-UHFFFAOYSA-N 354.475 5.208 0 40 FKAB c1ccc(S[C@H]2CSc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 36624789 VKOWNSAQOQYERQ-LEWJYISDSA-N 374.534 5.892 0 40 FKAB O=C(c1csc2c1CCCC2)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 40135080 FRLDIBNLCQPMOR-INIZCTEOSA-N 364.514 5.128 0 40 FKAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(F)cc(F)c1)C1CC1 58700945 LDOCNPOEGYDFCG-LLVKDONJSA-N 369.333 5.349 0 40 FKAB CCOc1ccc(NC(=O)CSCc2cccc3ccccc23)cc1 71433349 MMEWFCUQFDOXKX-UHFFFAOYSA-N 351.471 5.110 0 40 FKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 107041853 DDCJSAYZOCWMKJ-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB O=C(NCC1=CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 223422421 MAQVSTLVZGNHQK-HMMYKYKNSA-N 351.877 5.497 0 40 FKAB O=C(NCCOc1ccccc1)N1c2ccccc2Sc2ccccc21 224316216 PZMZUCOKYGCWRK-UHFFFAOYSA-N 362.454 5.078 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1C 224966947 RNYPWEORGZCWMJ-HXUWFJFHSA-N 357.881 5.323 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225321490 BBDWRIDJCXOXPZ-MBOZVWFJSA-N 368.571 5.454 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225511158 OYUBNASDAGJEEN-UHFFFAOYSA-N 365.517 5.851 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(C)cc2C)c1 225602673 SPARZKUQWBGPNQ-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB CC(C)c1ccc2oc(CCCc3nc4cc(C(C)C)ccc4o3)nc2c1 226248904 UFIUXCBMROAZOJ-UHFFFAOYSA-N 362.473 6.391 0 40 FKAB C[C@@H]1C[C@@H]2C=C3CCCC3=C[C@@H]2[C@@H]1CC[C@H]1[C@@H]2C=CC=C[C@@H]2[C@@H]2C=CC=C[C@H]12 299888729 VMDNXVUDKRENNP-IVBLVRJQSA-N 370.580 7.052 0 40 FKAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)CC1 408709887 YXOVKJRAFYEEIA-UHFFFAOYSA-N 372.553 5.034 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCCc1ccccc1 409144053 PDJZBKZSDCSCDS-GHRIWEEISA-N 357.862 5.009 0 40 FKAB Cc1cccc(Br)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250456 OMRBGWTVURLQAH-UHFFFAOYSA-N 367.111 5.847 0 40 FKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc(Br)cc3)cc21 676981 NYTCVBYSQQKXBS-UHFFFAOYSA-N 372.262 5.276 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1 683085 JLKMDCQYAGKKKN-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB CC[C@@H](c1ccc(C(C)=O)c(O)c1)[C@@H](CC)c1ccc(C(C)=O)c(O)c1 1607580 ITYQQEPZCIHICS-ROUUACIJSA-N 354.446 5.190 0 40 FKAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3218467 HQEXZMMQTYOMIJ-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB Cc1cccc(NCc2nc3ccccc3n2CCOc2ccccc2C)c1 3894921 BOWROPBIAQZMEQ-UHFFFAOYSA-N 371.484 5.344 0 40 FKAB CC(C)CCC[C@@H](C)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 4028492 KVJGMYWSXQADQY-QGOMCRMDSA-N 361.570 5.105 0 40 FKAB biogenic Clc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Cl)cc32)cc1 4130035 VZIQZMRTULMRGQ-UHFFFAOYSA-N 372.280 5.489 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2)N3)C1 4545523 QZOSEPWFZKOMPW-KSSFIOAISA-N 354.519 5.718 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 4666406 FBGSJYXMIUXBMT-CYBMUJFWSA-N 350.289 5.934 0 40 FKAB CCc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 4675260 QZMQRCKLWDEQRW-UHFFFAOYSA-N 371.509 5.789 0 40 FKAB O[C@@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)N(C/C=C/c1ccccc1)CC2 5192293 WJIDANGHKXCJLA-RBCXQPIPSA-N 365.492 5.207 0 40 FKAB COC(=O)[C@@]1(C)CCC[C@@]2(C)C3=C(CC[C@@H]12)CC1(CC3)SCCS1 5824290 NJJRJTCHDTYRKU-NEWSRXKRSA-N 366.592 5.423 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 7080181 ROMPJLUVBVAXPF-HNNXBMFYSA-N 366.486 5.341 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 7401775 ORSUXRDUGIGJPQ-HSZRJFAPSA-N 365.473 5.044 0 40 FKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1Cl 7763716 VBINVWXJWJNRLB-LLVKDONJSA-N 361.923 5.848 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)on2)cc1 8915199 MWSZGNRVBKAPCC-INIZCTEOSA-N 364.445 5.179 0 40 FKAB CC[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 12790986 AUJINNYCYRXWPW-ZDUSSCGKSA-N 352.659 5.235 0 40 FKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 13167554 HYXZWQNYPNMAOC-UHFFFAOYSA-N 367.788 5.083 0 40 FKAB C[C@@H](SC1=Nc2ccccc2CS1)c1nnc(-c2ccccc2)o1 14014476 LXTDRADWPLEDCX-GFCCVEGCSA-N 353.472 5.465 0 40 FKAB Cc1csc([C@H](Cc2cccs2)NCc2cccc3ncccc23)n1 19240101 LHUJGGVAIZDBLI-IBGZPJMESA-N 365.527 5.135 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 20037639 VNUYRSODRAEMAX-UHFFFAOYSA-N 362.860 5.155 0 40 FKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2C)c2ccccc2)cc1 20041839 RPJFXTPTYXRAOY-RDPSFJRHSA-N 373.496 5.285 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 20105830 CNKKFYZOZHOGLF-VFNWGFHPSA-N 351.421 5.014 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 20459662 DRSBICAMTFQZAH-IAGOWNOFSA-N 359.897 5.218 0 40 FKAB CC(C)C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 20462216 PFJJAYOGORKWTD-KXBFYZLASA-N 361.938 5.724 0 40 FKAB Fc1ccc(COc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)cc1 22073828 RCLCFQDQUZIJRL-UHFFFAOYSA-N 365.492 5.319 0 40 FKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(C)C)cc1 22245773 RFXUPKYCCMCWDL-UHFFFAOYSA-N 369.465 5.710 0 40 FKAB Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 26285209 OETFULLTUNJRQW-UHFFFAOYSA-N 359.256 5.424 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1Cl 27739900 QRFHWWCBPGKGPW-UHFFFAOYSA-N 355.890 5.865 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 33731506 DFVWGCWKZSEZGG-UHFFFAOYSA-N 368.816 5.147 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1OC 38754458 BKUDDTPTGNYWBO-HNNXBMFYSA-N 373.518 5.255 0 40 FKAB O=C(Nc1c(F)cccc1F)N1CCC[C@H]1Cc1cccc2ccccc12 61734482 GSHYMPJUDMJVBM-KRWDZBQOSA-N 366.411 5.357 0 40 FKAB CC(C)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760792 CKISXBSJIGILKL-UHFFFAOYSA-N 354.397 5.518 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 75289806 DKBPRRFLVHGYNP-UHFFFAOYSA-N 357.759 5.398 0 40 FKAB CC(C)(C)c1ccc(C(=O)N2CCC(CSCc3ccco3)CC2)cc1 85472394 QYBLTMATTROOOK-UHFFFAOYSA-N 371.546 5.363 0 40 FKAB CCN(CC)[C@H](CNc1cc(C)nc2ccccc12)c1ccccc1Cl 89967832 XEFDPPIMBFAPMA-JOCHJYFZSA-N 367.924 5.692 0 40 FKAB Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 95939699 JKFIEQUXGQBZGP-JKSUJKDBSA-N 352.821 5.046 0 40 FKAB CC1(CSc2nnc(-c3cccnc3)n2Cc2ccco2)CCCCC1 95941647 BMBPHMYWGFABAW-UHFFFAOYSA-N 368.506 5.044 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N[C@@H](C)c5ccccc5)(C4)C2)C3)cc1 101112694 DDOMKZNKWZOSMW-ZCYXTWNBSA-N 373.540 5.710 0 40 FKAB CCc1ccccc1NC(=O)Nc1c(C)nc(Oc2ccccc2)nc1C 206721272 RXGAWCIVZLVIQH-UHFFFAOYSA-N 362.433 5.092 0 40 FKAB Cc1cccc(CSCCNC(=S)Nc2ccc(OC(C)C)cc2)c1 225338788 TUVGJNADPRBNRF-UHFFFAOYSA-N 374.575 5.002 0 40 FKAB CCCOC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225449971 MXHTYNDSMQZUCC-UHFFFAOYSA-N 360.457 5.037 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1(c2ccccc2)CC1 225989470 NBJORBXDIIBXMD-UHFFFAOYSA-N 363.844 5.803 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O[C@H]3CCCCO3)CC[C@H]12 245241277 ZULBOIQTAAUGKN-DXFWRJPHSA-N 374.565 5.510 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 409110862 HHYKHMJYBXMUJJ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCc1ccccc1NCc1ccccc1OCc1cccc2ccccc12 409113482 IJPDBQRRVXCIOG-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB Cc1cccc(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C 682536 ZPXMIXWAIMBOIR-SFHVURJKSA-N 358.437 5.244 0 40 FKAB Cc1cccc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)c1 957177 NXMSZOULRSTHQK-UHFFFAOYSA-N 372.420 5.781 0 40 FKAB O=C(CNc1ccc(Cc2ccncc2)cc1)c1cccc2ccccc12 1049855 YBCXAUKFBHEUKM-UHFFFAOYSA-N 352.437 5.120 0 40 FKAB Cc1cc(OCc2ccc(Cl)cc2)n2cc(-c3ccc(F)cc3)nc2n1 1395116 HJVGIWXMKQJWOY-UHFFFAOYSA-N 367.811 5.076 0 40 FKAB CCc1ccccc1NC1=C2CCCC=C2N(c2ccccc2CC)C1=O 1424270 HNCXADTVSNIKRS-UHFFFAOYSA-N 358.485 5.592 0 40 FKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 1748899 JSJAQIRVFXSQDQ-CYBMUJFWSA-N 370.543 5.307 0 40 FKAB Cc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1C(C)C 1770616 GJVKBNNPXCUBHS-UHFFFAOYSA-N 367.533 6.383 0 40 FKAB CCC(=O)Oc1ccccc1C1SCc2cc(C)c(C)cc2CS1 2158406 XWUVVAHDJNHWOZ-UHFFFAOYSA-N 358.528 5.798 0 40 FKAB C1=C(c2ccccc2)n2c3c(c4ccccc42)CCC[C@@H]3[C@H]1c1ccccc1 2258802 VYGMBWDXVZDEIU-DNQXCXABSA-N 361.488 6.748 0 40 FKAB CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3)s2)c1 2326476 MSRCMELJKKEHCJ-UHFFFAOYSA-N 368.462 5.028 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1 4072308 YMLYUPRWBIJFAZ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCOc1cccc2sc(NC(=O)c3cc(Cl)sc3Cl)nc12 4173448 WHYOETOJSXRLQI-UHFFFAOYSA-N 373.286 5.316 0 40 FKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccc(Cl)c1 5125209 SSXWTHIHHQRMCU-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB O=C(CSc1ncnc2c1oc1ccccc12)c1ccc(Cl)s1 5215677 UVXVRCMXNCCXFV-UHFFFAOYSA-N 360.847 5.066 0 40 FKAB CC(C)OC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC[C@@H](C)C2 5528142 LGOCFLIAEOGAII-CYBMUJFWSA-N 372.490 5.082 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 5547996 IDVLXYSPEHEVPX-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB COc1cc2c(cc1OC)[C@H](C(c1ccccc1)c1ccccc1)N(C)CC2 5812919 FWQAJQNEFXJSOZ-RUZDIDTESA-N 373.496 5.065 0 40 FKAB CCCC(=O)c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 6026133 PGRTUUSJGMTKGE-UHFFFAOYSA-N 363.501 6.001 0 40 FKAB CC(C)OC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 6151758 DCELYEUACCBDBZ-UHFFFAOYSA-N 373.452 5.022 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 6348817 UELYDTOKFXUGDO-UHFFFAOYSA-N 370.496 5.842 0 40 FKAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C(C)C)cc1)CO3 6900573 YHSAYQOZJJAXDC-UHFFFAOYSA-N 363.457 5.144 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 8040813 QEDCIRQICPTZJC-INIZCTEOSA-N 372.679 5.121 0 40 FKAB CC(C)Sc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 10253288 QPGDDQUQTFVDFY-UHFFFAOYSA-N 360.529 5.624 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 10371606 QDHSWDYDGUMALP-UHFFFAOYSA-N 350.289 5.862 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1Cc2ccc(C)cc2S1 12818627 VGEHEUYWAFGTIY-GOSISDBHSA-N 359.922 5.429 0 40 FKAB COc1ccc(CCC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc1 14633727 GOQHZODNHUFZFO-UHFFFAOYSA-N 372.515 5.068 0 40 FKAB CC(C)c1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1 16740132 OZNIVNLVTZICDW-UHFFFAOYSA-N 354.497 6.535 0 40 FKAB O=C(Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1)C1CC1 28221532 GSFGCRLEIJKVPY-UHFFFAOYSA-N 374.227 5.059 0 40 FKAB Cc1nc(/C=C/C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cs1 32882457 FWQSWINLLLEIAQ-LEQVUBRHSA-N 374.465 5.117 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccccc1 32883768 CIMSUFFIPNONEQ-DEOSSOPVSA-N 355.481 5.572 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 38754852 HFKWYYFZRLVGMH-HNNXBMFYSA-N 373.827 5.868 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 44900172 ZFVSTWRSFFBQBK-GOSISDBHSA-N 373.374 5.655 0 40 FKAB COc1ccccc1Nc1nc(-c2cccc(Br)c2)cs1 67321955 XXKYKQYUZKMITI-UHFFFAOYSA-N 361.264 5.325 0 40 FKAB O=C(c1ccc(F)cc1)c1coc2ccc(OCc3cccc(F)c3)cc12 96184257 KELJMWXBDZROAJ-UHFFFAOYSA-N 364.347 5.521 0 40 FKAB O=C(CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 100780478 OEYRXDDAZAQCNE-UHFFFAOYSA-N 362.039 5.756 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223248949 JNSOWRYUZLWMTL-ZWKOTPCHSA-N 365.517 5.252 0 40 FKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cc1 225503355 ABQXRNDRUIBKNH-OAQYLSRUSA-N 362.498 5.080 0 40 FKAB COC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCCC1 225632142 HUMVDHIUNUUDGX-UHFFFAOYSA-N 367.489 5.252 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c2ccccc12 225821073 YJCFCHPNRHMAIA-QHCPKHFHSA-N 371.521 5.799 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ccccc12 225849049 FRAFXTNRKCGMAH-QHCPKHFHSA-N 371.521 5.943 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(I)c(C)c3)nc2c1 226239469 JDDKYFWWURJPEP-UHFFFAOYSA-N 363.198 5.025 0 40 FKAB Fc1ccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)c(Cl)c1 226308513 HEEDAFOFCMPAGC-UHFFFAOYSA-N 355.845 5.092 0 40 FKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253611237 CLPGKLFDFQUHLE-PTXFAPMGSA-N 360.538 5.166 0 40 FKAB CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccccc1 409110713 YBGGSDWARYSXBF-UHFFFAOYSA-N 358.532 5.210 0 40 FKAB O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1cccs1 409338113 DFWFPVPBOIDNHO-UHFFFAOYSA-N 373.543 5.089 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1sc2ccccc2c1Cl 823064 ONPPJTCUOCSWQW-UHFFFAOYSA-N 356.661 6.114 0 40 FKAB CCCCC1=C(P(=O)(OCC)OCC)C(F)(F)C(F)(F)C1(F)F 1713070 WTDKIUIWKUUAAP-UHFFFAOYSA-N 368.254 5.616 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(C)c1C 1770408 OWXXHFORPVTWDA-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccc(Cl)cc1 2145981 JUWMWHGJHDNAGE-FGZHOGPDSA-N 364.828 5.242 0 40 FKAB Cc1ccc(C(=O)N[C@H](Sc2ccccc2)C(Cl)(Cl)Cl)cc1 3150350 QYRMMHJRCAPDHG-OAHLLOKOSA-N 374.720 5.213 0 40 FKAB CC(C)(C)c1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1 4122083 AGMGDJZXLLJOJD-UHFFFAOYSA-N 368.480 6.335 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(F)cc2)N3)C1 4553423 YGYFJTRIWUSPDH-UGSOOPFHSA-N 372.509 5.857 0 40 FKAB CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](CC)c2ccccc2)c1 4659989 PMESDNPOKVKLHO-INIZCTEOSA-N 359.853 5.039 0 40 FKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1cccs1 5346183 ZVLNICYKUVJXLT-UHFFFAOYSA-N 369.492 5.304 0 40 FKAB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1C(=O)O 6962410 IKNNYYQXLWWHNE-FOKLQQMPSA-N 370.811 5.335 0 40 FKAB C[C@H]1CCCc2c1nc1sc3c(c1c2-c1ccc(Cl)cc1)CCC3 12610201 QHWWOKBBCUNGRD-LBPRGKRZSA-N 353.918 6.545 0 40 FKAB CC(=O)Nc1nc(C23C[C@H]4C[C@H](CC(c5ccc(C)cc5)(C4)C2)C3)cs1 18191462 KGWXDKSOHBCQQJ-RGMRCXJASA-N 366.530 5.200 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccccc1 20106941 BWJFDMUXQIDXLV-WIYYLYMNSA-N 353.506 5.481 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccs4)ccc3o2)cc1 22714027 KNAAHQUNNOQIIF-UHFFFAOYSA-N 361.422 5.082 0 40 FKAB biogenic CC(=O)N(CCC(C)(C)Cc1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 32097383 FPJNJVMOLFTEQA-IBGZPJMESA-N 365.945 5.105 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3o2)c(Cl)c1 32904878 JSEHZRRMGAFBBW-LBPRGKRZSA-N 360.866 5.217 0 40 FKAB Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccccc1 38756137 AQLKXKKWJFFYFN-HYBUGGRVSA-N 373.496 5.285 0 40 FKAB CCCCCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 59507289 NIFJEEZSUJXIJA-JXAWBTAJSA-N 369.848 5.254 0 40 FKAB Cc1nc2ccccc2nc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 84057642 NMTWMEPFATYOBQ-UHFFFAOYSA-N 374.391 5.126 0 40 FKAB CCC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2[C@@H]1c1ccccc1 95115977 MPFHWEWFCBKKIB-DEOSSOPVSA-N 368.480 5.457 0 40 FKAB CCn1c([C@H](C)NCc2cc(F)cc(C(F)(F)F)c2)nc2ccccc21 97020292 HUEYUIBZUXCWCB-LBPRGKRZSA-N 365.374 5.065 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 219647540 LNEWINJEMAORJZ-UHFFFAOYSA-N 361.466 5.282 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)oc1ccccc12 224291027 RGWJPCBTKZKLLK-CYBMUJFWSA-N 365.816 5.645 0 40 FKAB CCCOCc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC 224413696 IDWGXHPALXVLOM-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CCCCOCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OCC 224731682 SBSONATWWJTJQU-UHFFFAOYSA-N 369.505 5.580 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2cccc(Cl)c2)c2ccccc2)c1 225697912 FGRVFDSFXLQACP-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225700781 ZKUITJYALIPEEY-QHCPKHFHSA-N 369.505 5.498 0 40 FKAB CCc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225827902 BDFPLBYOXJOPMC-UHFFFAOYSA-N 371.440 5.024 0 40 FKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc(F)cc1 822375 FVBYBKCKHOMPTI-HTAPYJJXSA-N 374.459 5.347 0 40 FKAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccc(F)cc12 862440 TXTAHVKBUGWCLZ-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB Cc1ccc(NC(=O)c2nc(Nc3ccc(C)cc3)c3ccccc3n2)cc1 959723 AJOISQOLXCYKFT-UHFFFAOYSA-N 368.440 5.243 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 995136 RMAUCNDAWFCVQM-VQHVLOKHSA-N 374.311 5.488 0 40 FKAB CN(C)Cc1c(C=C(c2ccccc2)c2ccccc2)ccc2ccccc12 1662375 KSEDUVDYCBVJBG-UHFFFAOYSA-N 363.504 6.490 0 40 FKAB Cc1nc(Oc2ccc(Br)cc2F)c2c(C)c(C)sc2n1 2636074 TXQSAWXTEBQPGU-UHFFFAOYSA-N 367.243 5.310 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 4702682 OILFBCVQKHQWMT-NRFANRHFSA-N 358.466 5.283 0 40 FKAB Cc1ccccc1[C@H]1Sc2ccccc2N=C2c3ccccc3C(=O)[C@H]21 4713506 DBNIJUSZXPFFCJ-NZQKXSOJSA-N 355.462 5.775 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)cc(Cl)c1 4886701 CANYOQCDNXWSIU-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(OCCC)cc3)sc2c1 6398128 QXZRRZKCSMLXFV-UHFFFAOYSA-N 368.502 5.680 0 40 FKAB CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 8478427 LSDKBPZHMHNAEM-UHFFFAOYSA-N 365.951 5.115 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 10338820 FBQBKGVXEDBMFM-UHFFFAOYSA-N 367.489 5.338 0 40 FKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(C(F)(F)F)cc1 12555232 MIBSULHEYIVHDC-UHFFFAOYSA-N 373.378 5.034 0 40 FKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)(C)C 12651257 XSYRTFIEMLUSPF-UHFFFAOYSA-N 366.461 5.611 0 40 FKAB C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1cccc(Cl)c1Cl 12686609 HMPOMSJQEVLJPO-LBPRGKRZSA-N 362.260 5.236 0 40 FKAB O=C(CCSCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 13688165 YCTUUVNQGHIUNZ-UHFFFAOYSA-N 373.827 5.621 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 13710875 IHZKNLUHQIJPRE-LLVKDONJSA-N 372.679 5.670 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2cccc(F)c2)o1 13946334 NENXIJMEEDAXBN-UHFFFAOYSA-N 371.367 6.237 0 40 FKAB CC[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757582 OOWVXDUPSFFWBP-INIZCTEOSA-N 359.498 5.978 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1 17073601 FIKVSUWGRQSXJN-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB c1ccc(-c2c(-c3ccccc3)c3ccccn3c2CN2CCOCC2)cc1 19863957 MSUWHERZLRIMST-UHFFFAOYSA-N 368.480 5.106 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(C)cc1C 20041817 VROSTPNKRYMLLB-XMSQKQJNSA-N 361.485 5.491 0 40 FKAB Cc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(Br)c2C)cc1 26787204 BZGPTOXRQVILGC-UHFFFAOYSA-N 362.267 5.147 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1c(C)cccc1C(C)C 30858745 TWDWORLBPUOAIA-OAQYLSRUSA-N 361.485 6.068 0 40 FKAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccsc3)s2)o1 40110509 WKIBLWCFUBSTBS-CQSZACIVSA-N 358.488 5.059 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccc(F)cc1 58356971 OPUYXPLUZROKQP-OAQYLSRUSA-N 363.432 5.382 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 78458291 ZTGBFLNPVLITNI-CVEARBPZSA-N 359.897 5.164 0 40 FKAB C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 84660979 KKDYDEIIPPYTRI-WONIAPNHSA-N 368.889 5.354 0 40 FKAB Cn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)sc2c3ccccc3ccc21 100842371 OULYQOSWDAVLRF-ZNTNEXAZSA-N 374.509 5.432 0 40 FKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](CC(C)C)C3=C(O)C2)cc1 102741157 XPHGYKBWPQGWFU-WBVHZDCISA-N 366.461 5.597 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccc(C)cc1C 219369997 SYGKWKLBZPRMGJ-LEWJYISDSA-N 353.506 5.345 0 40 FKAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223106746 KJELVXNZBPFMFX-NHCUHLMSSA-N 369.480 5.129 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224422396 KFVBHWIUDJMBBZ-INIZCTEOSA-N 373.452 6.115 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ccccc12 225826000 NLOMNTKXOZTDCK-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB Clc1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 226342870 SFITUORXFQHSMB-UHFFFAOYSA-N 356.050 5.223 0 40 FKAB COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Cl 226343619 DHPUUQBKQPPTHX-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)oc12 408569442 NORLZTRZQRHFTM-UHFFFAOYSA-N 373.408 5.794 0 40 FKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 408571417 AUDZZZIMXGAEAT-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccccc1 409113927 JOBBAYACEZHZNH-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCOc1cc(CNc2ccccc2)ccc1OCc1cccc(F)c1 409118822 RDLYVZHRADCXLV-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB Cc1cccc(COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c1 409176341 KYECYBPOAKORQC-UHFFFAOYSA-N 354.789 5.078 0 40 FKAB COc1ccccc1NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C 840279 XEPGBYGCMFBBTQ-LWCKNFILSA-N 369.464 5.177 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ccccc2)cc1 942811 FTXUALOTESVXSS-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB Cc1ccc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1 957179 DWXJCTGLRMELFU-UHFFFAOYSA-N 372.420 5.781 0 40 FKAB Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 2102502 SYDLCAAIXXYKSF-UHFFFAOYSA-N 370.404 5.296 0 40 FKAB biogenic CCCCCCNC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 2193190 WOWUIZDCLQJAIJ-HXUWFJFHSA-N 354.519 5.261 0 40 FKAB CC(C)OP(=O)(NC(=O)Nc1cc(Cl)cc(Cl)c1)OC(C)C 2243751 KLOSTOLOACOAPI-UHFFFAOYSA-N 369.185 5.073 0 40 FKAB O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1-c1ccccc1 2652644 DKDWROXQHZXNNN-ACCUITESSA-N 368.230 5.361 0 40 FKAB FC(F)(F)c1cccc(CSc2snnc2-c2ccccc2)c1 3111155 MXFOBGLZSHTYRC-UHFFFAOYSA-N 352.406 5.516 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1cccc(NC(=O)c2ccccc2Cl)c1 3248966 BZJFUOVCVVZRSE-AQTBWJFISA-N 374.827 5.085 0 40 FKAB O=C(Oc1ccc(Cl)c2ccccc12)C(c1ccccc1)c1ccccc1 3360754 HMDAFJHIULTYGW-UHFFFAOYSA-N 372.851 6.231 0 40 FKAB c1csc(-c2nc(Oc3cccc4cccnc34)c3ccccc3n2)c1 3368939 WRTKQXQPPBHGHE-UHFFFAOYSA-N 355.422 5.699 0 40 FKAB CC(C)(C)c1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 5249889 GJHAPJSLTQOBKF-SXKZTFQGSA-N 374.528 5.852 0 40 FKAB C=Cc1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 5554540 JZQIBBJGVVXOII-UHFFFAOYSA-N 352.817 5.157 0 40 FKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 5681259 QUUYESKGEOQVTG-QJFMLIQLSA-N 372.424 5.309 0 40 FKAB O=C(COc1ccccc1Cl)Nc1ccccc1Oc1ccccc1 5862370 JVMMCCMTSPBPCI-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)Nc1cccc2ccccc12 6864415 QPVSZMNXOYDTMO-UHFFFAOYSA-N 370.477 6.635 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 8586787 XWUPUDSOKJYGBF-HNNXBMFYSA-N 372.534 5.334 0 40 FKAB O=C(c1ccc(Cl)cc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12980507 OUWNTZVSINBTQR-LBPRGKRZSA-N 374.868 5.109 0 40 FKAB CC[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13304217 AOUWTGIEFIEWFQ-FXSWLTOZSA-N 371.524 5.719 0 40 FKAB COc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)cc1 14185438 GKKIFXTUSGGQND-UHFFFAOYSA-N 369.511 5.230 0 40 FKAB Cc1ccc([C@H](NC(=O)[C@H](C)Sc2ccccc2)c2ccccc2)cc1 20488113 LHBKXHQJSCTAFN-PGRDOPGGSA-N 361.510 5.381 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2ccc(F)cc23)cc1 21017409 GNBUFCBKSRWBRK-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Clc1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716557 PTSGIYDZVYWRDZ-ZEQRLZLVSA-N 371.867 6.263 0 40 FKAB O=c1oc2ccccc2c2oc(NCc3ccccc3)c(-c3cccnc3)c12 39920864 ZLUVDBNPZIKTGL-UHFFFAOYSA-N 368.392 5.213 0 40 FKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(S)ncnc32)cc1Cl 53944076 IJMKTOUHQVAGAX-UHFFFAOYSA-N 351.862 5.338 0 40 FKAB Cc1cc2oc(=O)cc(CN3CCC[C@H]3c3ccccc3)c2cc1Cl 57611634 JUZIKSVTNPNFIW-IBGZPJMESA-N 353.849 5.092 0 40 FKAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 58369686 RUHFGIAQGWTOIX-UHFFFAOYSA-N 367.430 5.228 0 40 FKAB CCOc1ccc2nc(SCc3cc(C)cc(C(C)(C)C)c3)sc2c1 59489555 GIUSWISKJPAFPJ-UHFFFAOYSA-N 371.571 6.593 0 40 FKAB COc1ccc(-c2nnc(C(c3ccccc3)c3ccccc3)s2)cc1 67321177 FWLXBOYEUYUPSO-UHFFFAOYSA-N 358.466 5.394 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 78458084 RLVZGAWXKJFESH-SJORKVTESA-N 353.506 5.191 0 40 FKAB Cc1oc(-c2ccccc2)nc1CCNCc1cccc(C(F)(F)F)c1 78758033 MXEUJHYHROAQSR-UHFFFAOYSA-N 360.379 5.001 0 40 FKAB Cc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)/C=C/c2ccccc2)c1 97105045 NESNVEGKILLIDL-QDEBQFNMSA-N 366.464 5.386 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc3c4c(cccc24)CC3)c1 223402247 NCKRTPLQJBAUHT-UHFFFAOYSA-N 361.510 5.427 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225640926 AWZOUZVHDPPCMP-VQTJNVASSA-N 367.489 5.043 0 40 FKAB Cc1ccc(NC(=O)CSCc2cccc3ccccc23)cc1Cl 408602918 OZQXAKSDHMMAEJ-UHFFFAOYSA-N 355.890 5.674 0 40 FKAB Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1-c1ccccc1 408948832 HBZQHIZGJWXOPS-UHFFFAOYSA-N 352.652 5.390 0 40 FKAB O=C(OC1CCCCC1)c1ccc(COc2cc(Cl)ccc2Cl)o1 652224 VFXDPKMXOZNPRB-UHFFFAOYSA-N 369.244 5.655 0 40 FKAB C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)Nc2ccccc2)C1 722373 IWDRTHCMEZSHIP-CYBMUJFWSA-N 370.518 5.110 0 40 FKAB Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2n1 873886 OJLQHMRIHQEYOY-UHFFFAOYSA-N 354.409 5.588 0 40 FKAB CC(C)=Cc1oc2c(Cl)cc(Cl)cc2c1N1C[C@H](C)O[C@@H](C)C1 1300921 ZYZVKZRWFQTTBI-RYUDHWBXSA-N 354.277 5.776 0 40 FKAB Cc1ccc(Nc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)cc1C 1895296 VZSNCWTWFNLYNR-UHFFFAOYSA-N 353.469 6.274 0 40 FKAB CC(=O)c1ccc(OCCCCCCOc2ccc(C(C)=O)cc2)cc1 2054585 HJPPGBISZPBZDX-UHFFFAOYSA-N 354.446 5.110 0 40 FKAB Cc1nn(-c2cccc(Cl)c2)c(N)c1-c1cccc(C(F)(F)F)c1 2243969 XLNMLURMBNWWLN-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB CCN(CC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 2313468 AQWPEWHJPQMLAW-UHFFFAOYSA-N 368.550 5.163 0 40 FKAB Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)c(Cl)c1 3259064 LFKAJPYTXPHCMS-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1cccc(F)c1 4162853 FNHJTDJJFGLHRR-IBGZPJMESA-N 353.418 5.189 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@@H]2c1ccccc1 4295031 QNSRLWXHVYCDBF-HXUWFJFHSA-N 353.425 5.565 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3ccccc3n2)c1 4649858 RDQYNKOEGGVURZ-UHFFFAOYSA-N 362.820 5.299 0 40 FKAB COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1F 4657428 CANIKTZQFIBYRL-UHFFFAOYSA-N 363.860 5.099 0 40 FKAB CSC1=Nc2ccccc2S[C@@H](c2ccccc2)[C@H]1c1ccccc1 5519067 DHHILVGNVAZUMP-RTWAWAEBSA-N 361.535 6.710 0 40 FKAB Clc1ccc([C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1 6097767 RNXLWANBOVVBBX-IBGZPJMESA-N 369.921 5.540 0 40 FKAB Cc1nc2ccc(NC(=O)c3oc4c(Cl)cccc4c3C)cc2s1 6215976 SAZHPOKJAPTUSX-UHFFFAOYSA-N 356.834 5.565 0 40 FKAB CCCC[C@H](CC)CNP(=O)(Oc1ccccc1)Oc1ccccc1 6379784 PYXAOGFFDJUJLS-SFHVURJKSA-N 361.422 6.059 0 40 FKAB O=C(NC1CCCCCC1)C1(Cc2nc3ccccc3s2)CCCC1 6651890 GJMDDRQGTODFQW-UHFFFAOYSA-N 356.535 5.238 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 6899949 QQBRZMUVIAUYBQ-SECBINFHSA-N 360.693 5.766 0 40 FKAB Cc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C 7700227 TUSKWINTGYLQFE-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 8132762 FWGWJAHEMAYRQV-UHFFFAOYSA-N 370.408 5.311 0 40 FKAB CCCCN(C)Cc1c(C)nc2ccc(OCc3ccccc3)cc2c1O 8571868 HNQFKXFEESLNQP-UHFFFAOYSA-N 364.489 5.060 0 40 FKAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 8782999 PWICUKRLQSRLAM-UHFFFAOYSA-N 365.860 5.604 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 9142036 IFBGQOMFOMCUAA-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB COc1ccc(-c2oc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 12539021 DWZNHFCQGPVEKQ-UHFFFAOYSA-N 366.420 6.166 0 40 FKAB O=C(CCCc1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 12569498 SHPOTUHMIQJJNG-INIZCTEOSA-N 356.516 5.044 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2Cn2ccnc2)c(Cl)c1 13283491 ZOYZIHRWAASBIM-UHFFFAOYSA-N 367.663 5.471 0 40 FKAB Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1cccc2ncccc12 13569329 JQSDMUNJRKTJSA-UHFFFAOYSA-N 373.268 5.078 0 40 FKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1c(C)cccc1C(C)C 15582371 QXLZVIGAWPFZBO-NRFANRHFSA-N 362.473 5.021 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccccc3F)C3CC3)oc2c1 20894785 GKHFEAVHNBDOQM-UHFFFAOYSA-N 351.421 5.302 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246183 BKEWHFYMJMGCJQ-UHFFFAOYSA-N 359.401 5.034 0 40 FKAB Cc1nc(CSCCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cs1 30215608 HCKZVEBBKHKWDP-CYBMUJFWSA-N 374.531 5.041 0 40 FKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc2ccccc2c1 31404693 JHAHZZWYQZHXCX-QGZVFWFLSA-N 370.452 5.305 0 40 FKAB C[C@@H](SCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1 36814387 CAFIGMWPPRTBJK-CQSZACIVSA-N 354.500 5.071 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC 72215054 SYQKKCGIESNSRO-SFHVURJKSA-N 361.530 5.170 0 40 FKAB FC(F)(F)SC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1 95918355 PAYQRGUWYAKEDR-MRXNPFEDSA-N 359.844 5.294 0 40 FKAB Cc1csc(/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3n2C)n1 96891587 GTPCYNCJNRTSSB-LFIBNONCSA-N 365.889 5.581 0 40 FKAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](OCc4ccccc4)CC[C@]3(C)[C@H]1CC2 118915203 XVAQUNQDQASSEH-OLDNPOFQSA-N 366.589 7.005 0 40 FKAB biogenic CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219369931 SYGKWKLBZPRMGJ-NHCUHLMSSA-N 353.506 5.345 0 40 FKAB CCO[C@](C)(C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1)C1CC1 225725683 SKXRMWTZRLECBV-QHCPKHFHSA-N 367.489 5.026 0 40 FKAB CCc1ccccc1NCc1cccc(OCc2ccccc2Cl)c1 409112824 LTWFPDPKSPNMLP-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1775977751 WEDWPBJTDFKLRL-OLZOCXBDSA-N 363.269 5.345 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 666503 GQRGYAQVLPDGJK-UHFFFAOYSA-N 356.219 5.270 0 40 FKAB Cc1c(NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ncccc2o1 868819 SEGDOSJBHXUFMP-UHFFFAOYSA-N 369.380 5.197 0 40 FKAB C[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 1272600 AZJLBFWAQVIHIW-HXUWFJFHSA-N 354.497 5.801 0 40 FKAB Cc1ccc(SCc2nc3scc(C)n3c2Br)cc1 1300028 GZTZMAUHZGQRCE-UHFFFAOYSA-N 353.310 5.067 0 40 FKAB COc1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1428241 XMJVOGDIVBXQKK-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB Cc1nc(-n2cnc3cc(C)c(C)cc32)c2cc(-c3ccccc3)sc2n1 1895968 XNVLOFRENLJCFM-UHFFFAOYSA-N 370.481 5.622 0 40 FKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2714979 OIJBCWJTTJGLNC-UHFFFAOYSA-N 356.473 5.608 0 40 FKAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1C 2755792 MAHCPJYDCAGQFO-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Clc1ccc(-c2nnsc2SCc2ccccc2)c(Cl)c1 3118875 NIWNXCCOKIHNLZ-UHFFFAOYSA-N 353.299 5.804 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 3121719 SCSXOVDCRKVFON-AREMUKBSSA-N 369.508 6.130 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1sc2ccccc2c1Cl 3166120 OOABMTKZSWRMBQ-UHFFFAOYSA-N 355.768 5.826 0 40 FKAB CCC(=O)N(CC[C@@]1(C(C)C)CCO[C@](C)(CC)C1)Cc1ccccc1 4073189 KGQNTWJYGRFRTB-DHIUTWEWSA-N 359.554 5.437 0 40 FKAB biogenic CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccccc1F 4817082 OSEMGXGVNGHUDP-LJQANCHMSA-N 365.385 5.980 0 40 FKAB CCOC(=O)c1ccc2c(c1)nc(/C=C/c1ccc(SC)cc1)n2CC 4865061 MYEZXARCRGIQPY-MDWZMJQESA-N 366.486 5.125 0 40 FKAB CCc1ccc(N/C(SC(C)(C)C)=C(\C(=O)OC)C(F)(F)F)cc1 5066222 AMORTQAJLDOVOW-YPKPFQOOSA-N 361.429 5.140 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)C(F)(F)F 5510361 PLWROONZUDKYKG-BJCBFJDFSA-N 356.472 7.264 0 40 FKAB CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)=NN=C1c1ccccc1 5523246 GRBXWJCQQXPFLM-UHFFFAOYSA-N 370.883 6.411 0 40 FKAB O=C(OCc1ccc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2o1 5777137 RAHKKCMOJMGDRC-UHFFFAOYSA-N 352.773 5.703 0 40 FKAB CCOc1cccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 6355710 ZMHMMEYCRIRDTP-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB CCCn1c(SCc2csc(-c3ccccc3C)n2)nnc1C(C)C 6400392 PDUGNLVAKTUZEI-UHFFFAOYSA-N 372.563 5.536 0 40 FKAB CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21 6456169 HBJCJOHXBUVIMI-UHFFFAOYSA-N 372.493 5.698 0 40 FKAB O=C(CN1CCCCCC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 6882060 GEAVPXRGCAHYOI-UHFFFAOYSA-N 370.107 5.115 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1nc2c(s1)Cc1ccccc1-2 7345698 KCRKKZDNHZXUBB-UHFFFAOYSA-N 356.450 5.049 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)cc1 7558046 KMMDTDDZJQZRBM-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc2ccccc2c1 8127088 LYGGGMNDRGRIHY-AWEZNQCLSA-N 370.855 5.091 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 8498068 XYOAIPUBOZSCMK-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 9660057 PMYRNNIIVMEZAR-UHFFFAOYSA-N 373.408 5.429 0 40 FKAB biogenic O=C(Nc1ccc(F)cc1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11689800 TYWBHXAUEQWUGP-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3cccc(C)c3)c2C1)CCCC4 12610203 NLDVKCQCZQOCHV-MRXNPFEDSA-N 361.554 6.665 0 40 FKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1 13810421 OSPPCLHRDSXSAO-GYHWCHFESA-N 357.482 5.201 0 40 FKAB Cc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13993723 VUYYFZWNZXYHMG-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB CCCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 14031982 BMGIHNOKVIFOCI-UHFFFAOYSA-N 361.441 5.910 0 40 FKAB CCOc1ccc2nc(SCc3ccc4ccccc4n3)sc2c1 15108649 NYXRHSUCHPVAAM-UHFFFAOYSA-N 352.484 5.536 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 16161574 KFFPMQQTUPFZRH-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB Cc1ccccc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 16362604 HSURGUZOHNITPO-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 19691529 GDICLCOAGMLPEF-QFIPXVFZSA-N 360.432 5.173 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C)cc1C 30872534 HNMFQSWIKDDVPD-WZONZLPQSA-N 361.485 5.491 0 40 FKAB CCCCC/C=C\C/C=C\CCCCCc1cc(=O)c2ccccc2n1C 31168178 ZVODRCBOPULJKJ-NQLNTKRDSA-N 365.561 6.724 0 40 FKAB biogenic,in-vitro FC(F)(F)c1nc(SCc2ccc(Cl)cc2)nc2c1CCCC2 33804091 XPXGDVCGXJGPPW-UHFFFAOYSA-N 358.816 5.320 0 40 FKAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 49544370 ALDSZGGXGRLACA-NSHDSACASA-N 362.216 5.111 0 40 FKAB CCOc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1 57510849 WNUPZSNPCUQRNA-UHFFFAOYSA-N 361.470 5.087 0 40 FKAB C[C@H](NC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccc2ccccc2c1 59037283 YSBHWYITEOALBP-HNNXBMFYSA-N 361.489 5.160 0 40 FKAB C[C@@H]1CCCCN1C(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 59843064 KKCYCLNHFOPOMF-CYBMUJFWSA-N 354.450 5.117 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1Nc1ccccc1 72214174 FDGVEGQQPBTLOJ-OAQYLSRUSA-N 357.457 5.193 0 40 FKAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)cc1 96037411 DVAHKYBKKBOWDM-UHFFFAOYSA-N 371.484 5.358 0 40 FKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CC3)c2c1 100653753 UUGNPJZTACBAQZ-UHFFFAOYSA-N 373.408 5.117 0 40 FKAB biogenic O=C1O[C@H]2CCCC[C@H]2C2(CCCCC2)[C@H]1CCCCNc1ccccc1 100743096 OZRXHOCLDHJQJT-FSSWDIPSSA-N 369.549 5.951 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 104105664 HNSZJJAOLVQMQU-HQWHBTJSSA-N 366.930 5.494 0 40 FKAB Clc1ccc(NCc2cccc(OCc3ccccc3)c2)c(Cl)c1 106972114 PNXQLECGEVATQL-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC(=O)OC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118929726 IYRUIMPGYISENA-JAAOUQFMSA-N 374.521 5.018 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 219065278 HDRNQKPNSWGGMK-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC(C)C)cc1 222923909 XTNILNSQFSJAPF-NRFANRHFSA-N 369.505 5.567 0 40 FKAB CCCCCNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224341596 DGSFXAPVGOERTE-UHFFFAOYSA-N 357.519 5.216 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2)c1 224537127 OZEIYVNIHPRDLB-GOSISDBHSA-N 369.505 5.200 0 40 FKAB FC(F)(F)c1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225849264 FGNJQPAFCDOWAB-UHFFFAOYSA-N 364.436 5.461 0 40 FKAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12)C1CC1 225859109 GAYBBUJQIHWYGN-WAIKUNEKSA-N 369.505 5.551 0 40 FKAB CCc1ccc(C(=O)Nc2cc(Cl)ccc2-c2ccc(C(=O)O)o2)cc1 226356631 LMQZGYHWTDLIIZ-UHFFFAOYSA-N 369.804 5.113 0 40 FKAB C[C@@H]1SC2(CCCCC2)N(c2ccc3c(c2)oc2ccccc23)C1=N 226760253 QQDSCOSRVXFLHL-AWEZNQCLSA-N 350.487 6.165 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F 408624692 ZAHBCDKDQVHZDJ-UHFFFAOYSA-N 364.150 5.273 0 40 FKAB Cc1cccc(NCc2cccc(OCc3cccc4ccccc34)c2)c1C 409113430 FYZAZIVQURQKRT-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB CCOc1ccc2c(-c3ccccc3)c(-c3ccc(OC)cc3)c(=O)oc2c1 2576863 WIHAIXDXQZXLKF-UHFFFAOYSA-N 372.420 5.534 0 40 FKAB biogenic O=C(COc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 2748396 AXFLYGICALUFLI-UHFFFAOYSA-N 367.242 5.378 0 40 FKAB CC(C)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1 3933037 UYLFTJMQPWWDCW-MVLVPLOLSA-N 370.489 6.036 0 40 FKAB biogenic,in-vitro COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1c1ccccc1F 4546883 RJBDIYURXOYOAJ-NRFANRHFSA-N 364.395 5.329 0 40 FKAB CSCc1cc(Sc2ccc(Cl)cc2)nc(-c2cccnc2)n1 5362175 WTTVXMUCRYNCQK-UHFFFAOYSA-N 359.907 5.206 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1c(F)cccc1F 5366249 YCXUNVUQMXBCKI-UHFFFAOYSA-N 373.786 5.303 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)s1 6473189 BWVVYPFLGQJXLI-UHFFFAOYSA-N 361.300 5.492 0 40 FKAB Cc1cc(C)cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 7504085 BFKZCLDSGLMQLX-OAQYLSRUSA-N 355.441 5.555 0 40 FKAB C[C@@]12CC3CC(NCc4ccc(-c5ccc(Cl)cc5)o4)(C1)C[C@](C)(C3)C2 7524582 VQDSDRCNOVYFIH-QLOAFGCXSA-N 369.936 6.439 0 40 FKAB Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 8644976 UZXUHADXGVYFFP-UHFFFAOYSA-N 357.840 6.442 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)no2)cc1 11916471 FKPCBHSSWBOLGQ-UHFFFAOYSA-N 372.424 5.086 0 40 FKAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl 12812873 SIBDVVOPEBNARG-KPZWWZAWSA-N 363.288 5.061 0 40 FKAB CCc1ccc(-c2noc(CN[C@H](c3ccc(Cl)cc3)C(C)C)n2)cc1 12972061 UZWSMICUHBAVHF-FQEVSTJZSA-N 369.896 5.439 0 40 FKAB Cc1ccc(CSc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 13010382 XXGJQGLVBXARIT-UHFFFAOYSA-N 372.490 5.064 0 40 FKAB Cc1ccc(C(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 13297395 DQLHLNNWPSIELE-UHFFFAOYSA-N 363.844 5.156 0 40 FKAB C[C@H](NC(=O)c1ccccc1Br)c1ccc(C(C)(C)C)cc1 13670546 KJHREHQXDGQBMN-ZDUSSCGKSA-N 360.295 5.238 0 40 FKAB Cc1ccc2c(NC(=O)COc3ccc(C4CCCCC4)cc3)cccc2n1 13946244 QGKJSSWPBNUEMQ-UHFFFAOYSA-N 374.484 5.608 0 40 FKAB COc1ccccc1[C@@H](C)NC(=O)CCCSc1ccc(Cl)cc1 15966948 SAIWPXJNNOIMNT-CQSZACIVSA-N 363.910 5.098 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 22530992 CRYQNKXVAAEICB-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB O=C(CCc1ccsc1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709235 WPUWVDWDWLNVSR-JOCHJYFZSA-N 361.466 5.333 0 40 FKAB CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27744669 WBQOKMMEZDVCRV-SFHVURJKSA-N 368.908 5.506 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 30865088 LATXOPQUEFSCAW-SJCJKPOMSA-N 351.874 5.227 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3OC)c2c1 46086190 YSNGIPMUTFKJAM-UHFFFAOYSA-N 353.418 5.181 0 40 FKAB CCOc1ccc([C@H](C)NC(=S)Nc2cc(C)ccc2C)cc1OCC 48228546 DWDBLDMYHROLGB-INIZCTEOSA-N 372.534 5.148 0 40 FKAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1C1CCCC1 67259438 FYTYURDCOCZWHD-UHFFFAOYSA-N 372.440 5.082 0 40 FKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c(C)c1 67297348 HIWKQIWRNRHMLG-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(F)cc2C)c(Br)c1 71761228 WDNLBWBDASHYBA-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB O=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12 101094033 SAQUSDSPQYQNBG-UHFFFAOYSA-N 356.179 5.182 0 40 FKAB COc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 107039232 HJCAJWROBVJHAE-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CC(=O)O[C@H]1C(=O)C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@H]2C1(C)C 118928673 AUBLWSIZTYPLHL-BNCGVFPVSA-N 360.538 5.166 0 40 FKAB O=C(CCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 164122644 IZTMKULYCSWYTA-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1ccc2c3c(cccc13)CC2 223403926 NAWTVCXGFBTPOG-UHFFFAOYSA-N 367.901 5.464 0 40 FKAB FC(F)(F)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 225460262 BDZUVHUYIKGXMH-INIZCTEOSA-N 350.409 5.069 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCCCC2)c1 225539098 BCSDPGGIBWRCOH-UHFFFAOYSA-N 351.490 5.623 0 40 FKAB CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226318495 OUQZEYFMJALKRS-UHFFFAOYSA-N 369.244 5.148 0 40 FKAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)cc1 409000437 SXQKPIGWUVHRIU-WWNPGLIZSA-N 355.437 5.164 0 40 FKAB Cc1ccc(C)c(NCc2cccc(OCc3ccccc3Cl)c2)c1 409111779 CPMAAGQOJVGANJ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB c1ccc2c(COc3ccc(-c4nc5ccccc5s4)cc3)cccc2c1 409191477 IHUZYANTCYWKQZ-UHFFFAOYSA-N 367.473 6.696 0 40 FKAB CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C1=O 409311495 AAJXRAUIHRSQIP-NTEUORMPSA-N 367.348 5.022 0 40 FKAB O=C(COC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 885903 YXUXROINXFGHLP-UHFFFAOYSA-N 350.801 5.047 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(N)c3)c3ccccc3n2)cc1 930555 HJZURQBYWRJZMI-UHFFFAOYSA-N 367.452 5.353 0 40 FKAB CSc1nc(Cl)c(Nc2ccc(Cl)c(Cl)c2)c(Cl)n1 1692431 NDAJYJXFLJOUQF-UHFFFAOYSA-N 355.077 5.556 0 40 FKAB Cc1ccc(COc2cccc3c2CCN(Cc2ccc(C)cc2)C3=O)cc1 2716404 VVFRDLXHSSACIY-UHFFFAOYSA-N 371.480 5.081 0 40 FKAB CC(C)N(C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)C(C)C 2737870 FZLIGXKAEGEHDK-UHFFFAOYSA-N 372.921 5.876 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 3017036 OYEUUSJWWHYQJS-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1nc(Oc2ccc(F)c(Cl)c2)c2c3c(sc2n1)C[C@H](C)CC3 3284851 WUDMXOSVUHFWNU-SECBINFHSA-N 362.857 5.709 0 40 FKAB Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 4953958 BMPBIQJSNCTEEZ-IBGZPJMESA-N 364.832 5.233 0 40 FKAB O=C(N/C(=C/c1ccccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 5072531 VSOLNQCYYIFZJO-XSFVSMFZSA-N 373.843 5.144 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)o1 5881720 DSXGPFATQGIYMJ-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB Clc1ccc(Cl)c(-c2ccc(CNC3CCCCCCC3)o2)c1 7524558 WCLQYONHSGBFII-UHFFFAOYSA-N 352.305 6.456 0 40 FKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(Cl)c1OC 8534503 ZUDPZRRXLFIXAZ-LVBDODCMSA-N 363.929 5.196 0 40 FKAB CSc1ccc([C@@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)cc1 8992068 RASPWNXFOXAGAV-IBGZPJMESA-N 365.527 5.859 0 40 FKAB Cc1ccc(-c2cc(Cl)nc(SCc3ccc(Cl)cc3)n2)cc1 12016175 RANMVXGXGXOYJF-UHFFFAOYSA-N 361.297 6.051 0 40 FKAB Cc1cccc(C)c1NC(=O)c1oc2ccc(Br)cc2c1C 12786179 QDPGLXXUOBIYQZ-UHFFFAOYSA-N 358.235 5.373 0 40 FKAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 12823875 MVPDZKNLJNVMEJ-UHFFFAOYSA-N 374.362 5.158 0 40 FKAB CC(=O)c1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 13717204 SVQYVCOCRUDLJG-UHFFFAOYSA-N 360.438 5.724 0 40 FKAB O=C(NCc1ccc(C(F)(F)F)cc1)c1sccc1-c1ccccc1 16301899 GOAMIWWFFULAQC-UHFFFAOYSA-N 361.388 5.364 0 40 FKAB Cc1oc2ccccc2c1CN[C@H](Cc1ccsc1)c1nccs1 19581958 ZCYNKJRDDNFTLA-QGZVFWFLSA-N 354.500 5.333 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 20105697 MHZJVZIFKZNWDT-LJQANCHMSA-N 355.890 6.003 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc21 20496587 HCVMWPMXKPANFG-NTEUORMPSA-N 358.416 5.605 0 40 FKAB Cc1c(Cl)cccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)CCC2 20672155 XNOQGNVIRBGTER-UHFFFAOYSA-N 369.827 5.236 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1c(F)cccc1F 23742230 XDVSDCDOEUENND-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB CCCCCC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 36147415 YWYBPDWAQZOYDV-HXUWFJFHSA-N 364.489 5.005 0 40 FKAB CC(C)c1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 36640162 JCFKVKHGFIMUIC-FQEVSTJZSA-N 358.485 5.391 0 40 FKAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1C1CCCC1 67259435 FWIKJEDMICLABB-UHFFFAOYSA-N 372.440 5.082 0 40 FKAB COc1ccc(Cl)cc1Nc1nc(-c2cccc(Cl)c2)cs1 67321903 APIMOOONVMCARU-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1ccc(F)cc1 70008169 FGKRFTOVSLLUPN-QFIPXVFZSA-N 360.432 5.862 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(Br)cc2C)ccc1F 71326155 VRNLFXSOWWWUHU-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCCC3)c(N)cc2Cl)cc1 72229188 CJLIVZHNQNADRB-UHFFFAOYSA-N 371.912 5.072 0 40 FKAB Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 73639682 QUPKRBAAVGCDDB-UHFFFAOYSA-N 364.242 6.233 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344341 KMEOSRFJJJBBDD-OALUTQOASA-N 356.252 5.889 0 40 FKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3ccccc3)c1-2 100528031 DQUZADZZOGUXFF-XUTLUUPISA-N 368.527 5.768 0 40 FKAB Cc1cc2c(cc1C)N(Cc1ccccc1)C(=O)CC(c1cccs1)=N2 101947612 GAXUFXSUHXANPV-UHFFFAOYSA-N 360.482 5.423 0 40 FKAB Cc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 106955123 KDNNBDSUEABYQS-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 137866321 BSDQPHDDYTTZCO-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB Cc1nc(-c2ccccc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cs1 206895621 CEQWKDALLYUSAW-HNNXBMFYSA-N 366.486 5.141 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(Cl)cc1Cl 216247014 WWSBWUBFGVLVGF-KRWDZBQOSA-N 366.288 5.084 0 40 FKAB CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)CCCC2 223019123 LGOJGLMGUJAGNG-JTSKRJEESA-N 367.558 5.455 0 40 FKAB CCc1ccc(CC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 224333742 LIRLANQAEZCVGH-OAQYLSRUSA-N 363.501 5.134 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COCC(C)C 224736296 MQVKARUTGPTYQN-UHFFFAOYSA-N 369.505 5.634 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 224874004 GYINLJYFRBMAFH-UHFFFAOYSA-N 373.758 5.036 0 40 FKAB CCc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 225316664 SLEULZRLSXSBSE-UHFFFAOYSA-N 361.510 5.723 0 40 FKAB S=C(Nc1ccc(Cl)cc1)NC1(CCc2ccccc2)CCCC1 225845321 SBESMEZNTXNCAU-UHFFFAOYSA-N 358.938 5.572 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1OCC 408568389 SZICPVRULNWUEK-ACCUITESSA-N 353.462 5.143 0 40 FKAB CCSc1ccccc1C(=O)NCCSCc1ccccc1Cl 408681811 ZJMXHGLYODOQCC-UHFFFAOYSA-N 365.951 5.115 0 40 FKAB Cc1cccc(OC(=O)c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c1 408721880 MIPHGJHDJISLNM-UHFFFAOYSA-N 366.420 5.338 0 40 FKAB Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 408966570 PFGVOUQTIFRILE-XMHGGMMESA-N 360.438 5.027 0 40 FKAB O=C(NCCC1=CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 409027400 CZAGQBLWDMSHLY-HEHNFIMWSA-N 365.904 5.887 0 40 FKAB Cc1cccc(NCc2ccc(OCc3cccc4ccccc34)cc2)c1C 409113169 GYMVLCQXPJCIFA-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Clc1ccc(-c2nc3ccc4ccccc4c3n2-c2ccccc2)cc1 1857793564 PVHRONDKQLSTSE-UHFFFAOYSA-N 354.840 6.499 0 40 FKAB O=C1CCCC[C@H]1[C@@H](Nc1ccc(Br)cc1)c1ccccc1 704439 SRCJEGCCEVROGN-MJGOQNOKSA-N 358.279 5.362 0 40 FKAB O=c1c(Sc2ccccc2)c(O)cc(-c2ccccc2)n1-c1ccccc1 1044291 HLJJTWFVMFGZCC-UHFFFAOYSA-N 371.461 5.361 0 40 FKAB O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1 1095866 UBISEGOOVNDLSO-HSZRJFAPSA-N 370.427 5.095 0 40 FKAB O=C1c2cc(Br)ccc2-c2c(Cl)cc(Br)cc21 1692047 RPYMQMJNHXPZMN-UHFFFAOYSA-N 372.443 5.076 0 40 FKAB CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(Cl)cc1Cl 2220363 HYWDDTMBQPENQF-OAHLLOKOSA-N 369.225 5.523 0 40 FKAB O=C(CCc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 2516734 BDWRLOMMSREAKW-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB Cc1ccc(NC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 3346426 SCXFANFBVGKCRV-UHFFFAOYSA-N 361.228 6.206 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)NCCC(c1ccccc1)c1ccccc1 3422880 VXQVYGFJURSPBV-UHFFFAOYSA-N 368.480 5.049 0 40 FKAB Cc1cc2cc(CNC(=O)CC(c3ccccc3)c3ccccc3)ccc2[nH]1 4138118 JZRZCZWPQYJJCM-UHFFFAOYSA-N 368.480 5.315 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(Cl)c1Cl 4568544 PVPHULVYJWPSIA-UHFFFAOYSA-N 356.208 6.145 0 40 FKAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc3ccccc3cc12 4929856 VDVKVOOZASUEEE-UHFFFAOYSA-N 371.824 5.077 0 40 FKAB COc1cccc(-c2nc(Nc3cc(C)ccc3C)c3ccccc3n2)c1O 5029841 CRGYJCRLYKWFHP-UHFFFAOYSA-N 371.440 5.371 0 40 FKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Br 6062860 VFXXVHGJHNNJEQ-UHFFFAOYSA-N 367.242 5.396 0 40 FKAB CSc1ccc(Cl)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 6879194 SVSSXXBADBFGGT-PGBBXINNSA-N 363.954 5.397 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 8654102 VSFYYONKWYCIKP-UHFFFAOYSA-N 367.452 5.420 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccccc1F 10542815 UPKPHGKPPVMGPK-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB Cc1nc(COc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cs1 11427620 KQKGERKDARMKBY-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccccc1-c1ccccc1 12861923 BWIKEDILVJJARW-UHFFFAOYSA-N 354.409 5.190 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(C)c3)c(-c3ccc(C)cc3)c2C)cc1 13960750 LZHAKGYOUSUMMO-UHFFFAOYSA-N 352.481 6.440 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@H](C)SCc1ccc(Cl)cc1Cl 15490478 QSKACDQKHDPDRH-ZDUSSCGKSA-N 368.329 5.871 0 40 FKAB CSc1ccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1 19879396 BULDSMXGVHSVEQ-QFIPXVFZSA-N 359.498 5.795 0 40 FKAB CC(C)c1cc(NCCc2ccccc2)n2ncc(-c3ccccc3)c2n1 23114905 PEJBFPTUHUTOQD-UHFFFAOYSA-N 356.473 5.174 0 40 FKAB CCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OC 23968080 VXWXNNFWUJJSBV-QFIPXVFZSA-N 371.440 5.083 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)cc(Cl)c1 30854682 PGIHFQGGQZCHIE-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB CCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(CC)cc2)cc1 32647151 WHCZRBLFTSYSLP-UHFFFAOYSA-N 368.484 6.242 0 40 FKAB O=C(Nc1cccs1)Nc1nc(-c2nc3ccccc3s2)cs1 38671393 JHDPCSGNXNUGRB-UHFFFAOYSA-N 358.473 5.125 0 40 FKAB Cc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1 49004723 ZUGIFACOJHZIBA-UHFFFAOYSA-N 374.488 5.006 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CNC(c1ccccc1)c1ccccc1 58160722 PIHMQCIBICLFRN-UHFFFAOYSA-N 372.512 5.436 0 40 FKAB CC[C@@](CCCN(c1ccccc1)c1ccccc1)(OC)c1ccccc1 67340237 OTXHDMBXEVLDGX-VWLOTQADSA-N 359.513 6.557 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(C(C)C)c2)c(Br)c1 71760766 TVFKABDHWGGPGD-UHFFFAOYSA-N 363.324 5.690 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 95369314 WYCUETQPOMXKMM-INIZCTEOSA-N 356.878 5.204 0 40 FKAB c1ccc([C@@H]2[C@@H](c3ccccc3)[C@@H]3c4ccccc4[C@@H]2[n+]2ccccc23)cc1 104220067 YLYPZHKIBGEMTF-CWTOASCOSA-N 360.480 5.590 0 40 FKAB O=C(Nc1cccs1)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 217642763 BKAOPMHSGYIODM-ZDUSSCGKSA-N 359.303 5.334 0 40 FKAB O=C(NCc1cccc2ccccc12)c1ccccc1OCc1ccccc1 222864809 HXNSRHIWBJKENX-UHFFFAOYSA-N 367.448 5.349 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 224146012 XNYWIMIEHISHCN-QGZVFWFLSA-N 361.485 5.048 0 40 FKAB Fc1cccc(F)c1NC(=S)NC(c1ccccc1)c1ccccc1 225519140 JSEFGBGOCQPDSR-UHFFFAOYSA-N 354.425 5.041 0 40 FKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(Cl)cc2)cc1 225567964 YEULJLDVSDWUJC-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB COC(C)(C)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1Cl 225598568 UMPRNWLZVXNRID-UHFFFAOYSA-N 353.890 5.053 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225736109 YWPNSJWYQXFCMJ-QFIPXVFZSA-N 361.526 5.486 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2ccccc12 225794270 UVOPZVHSEBEJJX-QFIPXVFZSA-N 357.494 5.408 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(F)c(F)c3)CCCC2)c1 225860847 JERQQMGQQAZIRN-UHFFFAOYSA-N 374.500 5.505 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(Nc1cccnc1)c1ccccc1 263621546 JUTFCESOBKGUSZ-CXLKWVGHSA-N 372.449 5.490 0 40 FKAB COc1cccc2cc(C(=O)N[C@@H](c3ccsc3)c3cccs3)oc12 390826160 DJYWCZIKZINDAO-KRWDZBQOSA-N 369.467 5.084 0 40 FKAB Cc1cccc(N=c2[nH]c(-c3ccc(Br)cc3)cs2)c1C 408976847 GTTBBAYIDHXTKZ-UHFFFAOYSA-N 359.292 5.355 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1C 409121582 YQEWEGVKEYQTDX-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1 652885 DEPDQYJKDUYJEY-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB aggregator Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)sc2c1 873876 FUEVBLZZYSVNAP-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB aggregator Cn1c(-c2ccccc2)c(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc21 894441 BYVSUPNRGBTEJM-UHFFFAOYSA-N 373.296 5.158 0 40 FKAB Clc1ccc(SCc2csc(-c3ccc(Cl)cc3)n2)cc1 1569275 QLCOSFPUSUUCCX-UHFFFAOYSA-N 352.311 6.409 0 40 FKAB O=C(O)/C(=C\c1ccccc1)c1ccc2ccccc2c1Br 1600704 HZOGWAHONUTUJN-ATVHPVEESA-N 353.215 5.228 0 40 FKAB c1ccc(-c2ccc(Oc3nnc(-c4ccccc4)c4ccccc34)cc2)cc1 1811756 PIAYCCPQRDFIGJ-UHFFFAOYSA-N 374.443 6.756 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)c2ccccc2)cc1 1948791 JILMVECCEKZURR-QGZVFWFLSA-N 354.446 5.074 0 40 FKAB Clc1ccc(N2CCN(c3ccc(Cl)cc3)C2c2ccccc2)cc1 2027289 XMNGUHQDZFTYOV-UHFFFAOYSA-N 369.295 6.019 0 40 FKAB CCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2238997 JHUHGCWXYJSZEX-UHFFFAOYSA-N 354.523 5.139 0 40 FKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2sccc2C)c2ccc(C)cc2)cc1 3297992 ZDCJZPOAZUBCBI-FQEVSTJZSA-N 364.466 5.454 0 40 FKAB CN(Cc1cccc(F)c1)C(=S)Nc1ccc(Oc2ccccc2)cc1 3333433 HZPACXYYPSJBJL-UHFFFAOYSA-N 366.461 5.447 0 40 FKAB CCCn1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 4060595 ZGRSELLREYVVLT-UHFFFAOYSA-N 372.921 5.744 0 40 FKAB COc1ccccc1NC(=O)CCCCCCCCCC[C@@H]1CCCO1 4696854 UHTHKGVOKDFVMN-LJQANCHMSA-N 361.526 5.714 0 40 FKAB CCCc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)cc1 4740884 LMUJNWFKZXTOHL-UHFFFAOYSA-N 374.871 6.677 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C 5166365 BUIQHUBDLNDWCY-KWQGSUNZSA-N 354.481 5.596 0 40 FKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 5274749 PTOPAWVETZHSNI-AYVTZFPOSA-N 367.301 5.034 0 40 FKAB Fc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)cc1 5684661 LUFPFMIDUNOTDR-NRFANRHFSA-N 350.824 5.835 0 40 FKAB Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 6960417 PZZWJKDFQSNUAV-QUJCMNEKSA-N 374.267 5.827 0 40 FKAB Cc1cc(C)cc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)c1 7160225 XODSGINMHZMGDR-UHFFFAOYSA-N 363.442 5.301 0 40 FKAB Cc1cc(-c2ccc(Br)cc2)n2ncc(-c3ccccc3)c2n1 7604619 ZCCUTQPEXFYYAI-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1 7643355 QJIUBTCAFQELFE-MRXNPFEDSA-N 364.514 5.243 0 40 FKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 8480963 CKYPUCSZAYSRNE-HXUWFJFHSA-N 365.404 5.414 0 40 FKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCCc1ccccc1 8534246 YULUCXXRIQZOSP-IBGZPJMESA-N 361.485 5.168 0 40 FKAB Cc1ccc(Oc2ccc(C)cc2Br)c(Br)c1 12346718 ZWKOSWIDMPMDRE-UHFFFAOYSA-N 356.057 5.621 0 40 FKAB CCCc1ccc(-c2nc(NC(=O)CCc3ccsc3)sc2C)cc1 12616652 LPZOUWSOFKJCAS-UHFFFAOYSA-N 370.543 5.704 0 40 FKAB O=C(c1cc(Cl)ccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12999836 JVIBJMFXHBKVDW-GFCCVEGCSA-N 374.868 5.109 0 40 FKAB Cc1cccc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)nc(C)n2)c1 15859099 PJKRVEFXLPDPRP-UHFFFAOYSA-N 367.452 6.296 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)cn3)o2)cc1Cl 17076387 XKRBQJFDJCJQBS-RMKNXTFCSA-N 373.239 5.609 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 22534692 CGKITUAYRVRBEP-UHFFFAOYSA-N 356.469 5.064 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1C 27582427 FJZWXJWEJWQCGF-UHFFFAOYSA-N 360.335 5.230 0 40 FKAB CC[C@H](C)Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C)nn12 27585077 AQAACLLDJNHHSS-INIZCTEOSA-N 356.473 5.582 0 40 FKAB Cc1ccc2nc(NC(=O)c3csc(-c4ccsc4)n3)sc2c1 32768117 PJRIRKOZWAIDDW-UHFFFAOYSA-N 357.485 5.042 0 40 FKAB CC(C)c1nnc(S[C@H]2CCCc3ccccc32)n1Cc1ccco1 32931644 JMMALXPAKUYZOM-SFHVURJKSA-N 353.491 5.213 0 40 FKAB CCOC(=O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1 40164047 CVVKEHMVAFCPKJ-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB CC(C)Sc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088092 MWYRGIFXQRJSLZ-UHFFFAOYSA-N 360.429 5.641 0 40 FKAB Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1Br 51354245 VFHBFGRJNDPCSM-UHFFFAOYSA-N 373.172 5.420 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 59351285 YPZWYICJMZEEDJ-SJORKVTESA-N 359.897 5.218 0 40 FKAB CCCCCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 67259026 WVPNAPPUMGEWDV-UHFFFAOYSA-N 372.921 5.532 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)ccc1C(C)C 72427483 WTMJWASQIUMVFW-UHFFFAOYSA-N 369.852 5.120 0 40 FKAB COc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1 80341531 YUPCPIQHJBHHRV-WUKNDPDISA-N 353.425 5.113 0 40 FKAB CC(C)C[C@@H](CSC(F)(F)F)NCc1cccc(Br)c1 95918382 BJRDYGNCUHRLLW-ZDUSSCGKSA-N 370.278 5.206 0 40 FKAB Cc1nc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2nc1C 170205037 RSDWOHGATOUSTO-UHFFFAOYSA-N 365.521 5.354 0 40 FKAB Cc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224924887 GBHFFMKAXHZLQF-UHFFFAOYSA-N 372.399 5.708 0 40 FKAB Cc1cccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 225265746 OSABBCXLFNZXMH-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC(C)C(NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C 225326883 IXFPDGKQUBBOEE-UHFFFAOYSA-N 352.853 5.326 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c3ccccc23)CCC[C@@H](C)C1 225855686 CNPZTYOIMILSTQ-HXOBKFHXSA-N 369.505 5.553 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 226284675 PBXMEUAWXQIKER-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)c1ccccc1 253595634 GUFISKMWHBUYOH-LWLFNGJESA-N 352.562 6.307 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1C 408585639 GTONTFKCOYWQQI-UHFFFAOYSA-N 352.261 5.733 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(C)cc1 408834785 LWQABAICTVAYSF-UHFFFAOYSA-N 366.486 5.332 0 40 FKAB O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1CC1CCCCC1 409138078 ZRDXGMKDYLNOAD-XNTDXEJSSA-N 369.408 5.322 0 40 FKAB Fc1ccc(Nc2nc(SCc3ccncc3)nc3ccccc23)cc1 575616564 QHSAWDKVUUVWBO-UHFFFAOYSA-N 362.433 5.200 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(OC)c2ccccc12 1718282 DBWFGYRRXMOPNZ-QFIPXVFZSA-N 357.538 5.564 0 40 FKAB Cc1ccc(Oc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1C 2679421 FSSQNHGNTYTRKU-UHFFFAOYSA-N 360.844 6.359 0 40 FKAB O[C@@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 3134900 JCLSJRCBDDXZLQ-LBPRGKRZSA-N 356.558 5.142 0 40 FKAB O=C(CSc1ccc(Br)cc1)c1cccc2ccccc12 3310511 ZIYNYMZDFMSFQE-UHFFFAOYSA-N 357.272 5.577 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2s1 3404578 GTSFUCHQNIQZDU-UHFFFAOYSA-N 374.465 5.436 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1 3655571 MEFJCPXGPXYOHN-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB CC(=O)O[C@]1(C)CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 3851374 UUVHOZKAPKYWRN-CNFPBCLWSA-N 366.542 5.442 0 40 FKAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(C)cc2)ccc1O 3911585 NERQCVDGUBTWGG-UHFFFAOYSA-N 359.429 5.076 0 40 FKAB O=C(Cc1cccc2ccccc12)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138253 VSONQXMCDSTJRM-UHFFFAOYSA-N 368.480 5.059 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(Br)c1 4795309 BGFPPZIDLJMHPM-UHFFFAOYSA-N 360.038 5.400 0 40 FKAB CCc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(C)cc1C 4957117 DZDJPPGQVJDAGX-UHFFFAOYSA-N 361.466 5.763 0 40 FKAB CCCC(=O)c1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc12 6203107 OZCGWVJWPMMSPG-UHFFFAOYSA-N 368.864 5.225 0 40 FKAB CCOc1ccc(Nc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 6319190 PUYJHPKFBNJMAL-UHFFFAOYSA-N 361.470 5.809 0 40 FKAB Cc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl 6658402 UUJXUQYCIFHMPR-UHFFFAOYSA-N 370.880 5.420 0 40 FKAB aggregator O=C(NC1CC1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 7913699 VUYWCQDVZLEUQM-MRXNPFEDSA-N 352.286 5.105 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1O)C[C@@H]2c1ccco1 8570225 LPVABECGBHSBRM-LJQANCHMSA-N 369.424 5.271 0 40 FKAB Cc1ccc(CNC(=S)c2cccc(OCc3ccc(C)cc3)c2)cc1 9188171 LHKFWPNHSBYSLK-UHFFFAOYSA-N 361.510 5.348 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 10978897 CAUADRZHRBDSSQ-UONOGXRCSA-N 363.910 5.097 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12766322 OTZRMQCYJWCFSB-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)Nc1cccc2ccccc12 16545001 YWCMIJUZENQOIR-UHFFFAOYSA-N 353.834 5.747 0 40 FKAB CC(C)c1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1 17074298 AMBHPEUOFPFCCY-UHFFFAOYSA-N 360.486 5.109 0 40 FKAB CC[C@@H](C)c1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1 17076674 RIVVEWNIRXJYDF-CQSZACIVSA-N 374.513 5.500 0 40 FKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)cc1 20808344 XOMWYYKXRXCXSJ-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)O)s2)c1 21005998 RSPABCOCPXQRNY-UHFFFAOYSA-N 366.486 5.613 0 40 FKAB CCCCCC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 21578613 BLZVXKXRQDTPJF-UHFFFAOYSA-N 350.462 5.939 0 40 FKAB Fc1ccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 33298146 IOMHUQMTUFONSI-UHFFFAOYSA-N 371.824 5.243 0 40 FKAB Cc1ccc(-c2nn(Cc3ccccn3)c(-c3ccc(C)cc3)c2Cl)cc1 36611641 AAHLCWJZNCMDKI-UHFFFAOYSA-N 373.887 5.931 0 40 FKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1C 44086891 HICJIHWTVKRZAM-UHFFFAOYSA-N 359.292 5.332 0 40 FKAB COc1ccc2oc(Nc3nc4c(Cl)c(Cl)ccc4s3)nc2c1 57352960 BKMANPURJJXZRZ-UHFFFAOYSA-N 366.229 5.497 0 40 FKAB FC(F)(F)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 168933333 WEDRNIUGRMVICZ-UHFFFAOYSA-N 364.370 6.430 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1 214703624 KNAHNGXLFOUORV-VGOFMYFVSA-N 368.241 5.131 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1Cl 222920784 JZIYTPNWPMLBQO-LJQANCHMSA-N 359.897 5.111 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COC(C)C 224715200 FRWPZIIQUFHIQV-UHFFFAOYSA-N 355.478 5.386 0 40 FKAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225747274 NIKXEIATUHYPRS-SFHVURJKSA-N 371.546 5.103 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784531 DSGDLYYUMGYHSP-SNVBAGLBSA-N 360.668 5.326 0 40 FKAB Cc1ccc2oc(C3=CCN(Cc4ccc(F)cc4Cl)CC3)nc2c1 226307803 WSMDZCSHXMLKRX-UHFFFAOYSA-N 356.828 5.218 0 40 FKAB COc1ccc(CCCc2nnc(SCc3cccc(C)c3)o2)cc1C 409016557 QGNXMLKLEXTAIS-UHFFFAOYSA-N 368.502 5.163 0 40 FKAB CCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 409119727 XRYVDDHQNQZWSU-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 1033985 LQFHHNJNCSFAOJ-UHFFFAOYSA-N 356.450 5.785 0 40 FKAB in-vitro COc1ccc([C@H](CC(=O)c2ccco2)SCc2ccco2)cc1OC 1454636 VHTRYRYPQITPMV-FQEVSTJZSA-N 372.442 5.137 0 40 FKAB Cc1ccc(O)c(Cc2cc(Cl)cc(Cc3cc(C)ccc3O)c2O)c1 1679636 BWZRLHQJZYOXOA-UHFFFAOYSA-N 368.860 5.255 0 40 FKAB CN(C)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 1892220 SNEWCKCLLPRFHS-NJNXFGOHSA-N 374.871 6.052 0 40 FKAB COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccccc5)c4cc23)cc1 2125609 FZADKZLSXFJASY-UHFFFAOYSA-N 368.388 5.882 0 40 FKAB biogenic Cc1ccc([C@H]2Sc3ccccc3NC3=C2CCc2ccccc23)cc1 2193815 QJCJJBJXCCQGTC-XMMPIXPASA-N 355.506 6.611 0 40 FKAB CC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2332800 VTYLSBRPSVZQSY-UHFFFAOYSA-N 354.453 5.614 0 40 FKAB Clc1cccc(-c2cnn(-c3ccc(Cl)c(Cl)c3Cl)c2)c1 3133650 UWGLAKLAHAOORW-UHFFFAOYSA-N 358.055 6.153 0 40 FKAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 3135969 YFPYWGRAWAGRKV-UHFFFAOYSA-N 374.443 6.307 0 40 FKAB C[C@@H]1[C@@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 4027054 DYGSLTDGTPXLQY-LHVBLOTFSA-N 355.305 5.524 0 40 FKAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 4910241 WIVNHSFEBUQTIA-CQSZACIVSA-N 359.491 5.034 0 40 FKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2sccc2n1Cc1ccccc1 4970875 LRZRBTXICAHLTD-HOTGVXAUSA-N 352.503 5.154 0 40 FKAB COc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5459247 GFLWJKMKPHVBHQ-IRLDBZIGSA-N 373.431 5.330 0 40 FKAB O=C(NC1CC1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 6998242 GUHPTMMURPYIGX-UHFFFAOYSA-N 357.862 5.271 0 40 FKAB O=C(O)/C(=C/c1cccc(Cl)c1Cl)Sc1nc2ccccc2[nH]1 7342949 BZKFPSRVORJIRS-JYRVWZFOSA-N 365.241 5.088 0 40 FKAB O=C(/C=C/c1cccs1)N1CCCC[C@@H]1c1nc2ccccc2s1 8074087 DCKGDFUZIQHWEC-SIFUEBAJSA-N 354.500 5.125 0 40 FKAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-c2ccccc2)cc1 8160171 ACKFIGPEJXNEGT-HSZRJFAPSA-N 373.452 5.164 0 40 FKAB C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1cccc2ccccc12 8231534 LDJIPUYZNHLDEW-CYBMUJFWSA-N 367.374 5.975 0 40 FKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3ncsc3c2)cc1 8231806 AZTMMQATMMOXDI-IBGZPJMESA-N 366.486 5.062 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1C 12042437 OCZAQUWHIUIKCY-UHFFFAOYSA-N 351.471 5.080 0 40 FKAB O=C(NCc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21 13574463 IRJNDMZYZBBZRI-UHFFFAOYSA-N 366.873 5.853 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C)c(F)c2)cc1 15084478 AJZHDJLNWKZCJH-UHFFFAOYSA-N 354.450 5.056 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 20105699 MHZJVZIFKZNWDT-IBGZPJMESA-N 355.890 6.003 0 40 FKAB Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)c1 26439931 BCRCBMUYJMQKMF-FTJBHMTQSA-N 370.540 5.143 0 40 FKAB O=C1C[C@@H](c2ccccc2)S[C@H](c2ccccc2)/C1=C/c1ccccc1 28617239 APOLUKMMVZLGCM-JYJXWYGGSA-N 356.490 6.259 0 40 FKAB c1ccc(Cn2ccnc2SC(c2ccccc2)c2ccccc2)cc1 59474650 SLKKIOJQTYTNGL-UHFFFAOYSA-N 356.494 5.813 0 40 FKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 71844315 PJRFFRWOPQMPKG-REWPJTCUSA-N 373.500 5.045 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 72215148 QDFIDWLGSAYJAM-FUHWJXTLSA-N 361.530 5.169 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 78457541 WKRAPRGIYQLWTN-RBUKOAKNSA-N 353.506 5.380 0 40 FKAB CCCC[C@H](CC)C[C@H](CC)CNC[C@H](CC)C[C@@H](CC)CCCC 96191797 TUWPUFVJJBETKM-NEWJYFPISA-N 353.679 7.841 0 40 FKAB CCOc1ccc(NC(=O)N2CCS[C@H](c3ccccc3C)CC2)cc1 219296468 KRTPTSDQJDRUJK-FQEVSTJZSA-N 370.518 5.106 0 40 FKAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 222396732 PWCMHOUWWCOYKL-IFMALSPDSA-N 366.892 5.790 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223133799 XKYUZIDEYAZQSQ-JOCHJYFZSA-N 365.517 5.083 0 40 FKAB O=C(CCc1cccc2ccccc12)NCc1cccc(C(F)(F)F)c1 224758412 JXYAXDIGHNOXAW-UHFFFAOYSA-N 357.375 5.108 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1C 225611429 ZLAXHFVLSZJCCK-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB CCc1cc(Br)cc(CC)c1NC(=O)CCc1ccccc1 226097746 CQZWHILSRMXZKO-UHFFFAOYSA-N 360.295 5.145 0 40 FKAB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cn1 253505346 JHTFPRFKUMCPIU-IRHDZPSQSA-N 368.565 5.207 0 40 FKAB S=C(NCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 408577224 RXWHBISLLPUZDH-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB O=C(O)c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2)c1 408612527 SBHFFWBYIOZMMS-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB Cc1cc(C)c(OC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 644747 FIYAVNLDXHLXSS-LJQANCHMSA-N 359.469 5.160 0 40 FKAB COc1ccc(-c2nc3ccccc3n2Cc2ccccc2C)cc1OC 1242009 QNPHCGCFMKAZQW-UHFFFAOYSA-N 358.441 5.077 0 40 FKAB Cc1nc(SCC(=O)c2c[nH]c3ccccc23)c2c(C)c(C)sc2n1 1333006 IAXNDXXHUSDYMJ-UHFFFAOYSA-N 367.499 5.073 0 40 FKAB CSCc1cc(N(C)C)nc(SCc2ccc(Cl)c(Cl)c2)n1 1387633 PBCPRQAWDNJQBM-UHFFFAOYSA-N 374.362 5.005 0 40 FKAB CCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)(Cl)Cl)cc1 1444770 RMWNXWAWVFPXNO-UHFFFAOYSA-N 373.707 5.986 0 40 FKAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccccc1Cl 1448895 YINLHAGRRRHCPQ-JOCHJYFZSA-N 373.839 5.835 0 40 FKAB C[C@@H]([C@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C 1758880 AWQGSQRZGAHTHE-XDHUDOTRSA-N 371.480 5.034 0 40 FKAB Cc1ccc2c(c1)Oc1nc3ccccc3nc1N2Cc1cccc(Cl)c1 2171215 FSSJBABPSZTYBO-UHFFFAOYSA-N 373.843 6.036 0 40 FKAB CCCCCOc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 3049696 KIXOOVRQGBOSCD-UHFFFAOYSA-N 359.469 6.175 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 3140530 LWPKIQYZBBHLKI-UHFFFAOYSA-N 370.452 6.045 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4555392 NDHOPVCXDQDCPC-YUSVDLJSSA-N 357.497 5.072 0 40 FKAB CN(C)c1ccc([C@H](CC(=O)c2ccccc2)Sc2ccccc2)cc1 4710301 HKFWEFQQIONUDA-QHCPKHFHSA-N 361.510 5.859 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970937 HAQJTGCCDMZLGH-UHFFFAOYSA-N 360.482 5.620 0 40 FKAB Cc1cc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)[nH]n1 5072017 VOWAYLUIDAQOTG-UHFFFAOYSA-N 363.357 5.436 0 40 FKAB Cc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1 5617943 FLRLXNXNNBKZGN-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB O=[S@]1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 5722759 OPMACWLLFAYQRX-YADARESESA-N 371.914 5.775 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1 6810682 AVUMEVPXDNXNLX-UHFFFAOYSA-N 363.457 5.219 0 40 FKAB Cc1cc2sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)nc2cc1Cl 6826340 GYBRRBWBWFZAGK-RMKNXTFCSA-N 370.905 6.033 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2)N3)C1 6906283 SXHAKQLTSBVHCG-NMKXCRQWSA-N 366.530 5.669 0 40 FKAB Cc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)o1 6943767 HZQCKESWAGLECD-UHFFFAOYSA-N 350.399 5.242 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 8557482 WMOBTHXDBKSIEJ-CYBMUJFWSA-N 371.893 5.158 0 40 FKAB c1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3s2)cc1 8649111 IJISRVKBKIIVTQ-UHFFFAOYSA-N 352.462 6.397 0 40 FKAB CCCCN(CCCC)Cc1c(C)nc2ccc(N(CC)CC)cc2c1O 8717358 LIVFGNQAONIFRO-UHFFFAOYSA-N 371.569 5.497 0 40 FKAB CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1 9059726 HNOUEIJNPHSSFQ-UHFFFAOYSA-N 372.472 5.311 0 40 FKAB Cc1ccc(F)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12783935 PLJSKJNBXDUIGP-FQEVSTJZSA-N 351.446 5.606 0 40 FKAB O=C(c1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 12937758 NZWKQTLSYFGPIL-UHFFFAOYSA-N 374.868 5.109 0 40 FKAB Cc1ccc(-c2cc(Nc3ccc(Nc4ccccc4)cc3)nc(C)n2)cc1 15859131 DETIOTMVJBZOFH-UHFFFAOYSA-N 366.468 6.248 0 40 FKAB CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757715 DBSPBAXWBNYVCL-UHFFFAOYSA-N 373.525 6.288 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(CNCc3ccccc3Cl)c2)cc1 17310500 XNOLREMSQNEVQT-UHFFFAOYSA-N 364.876 5.191 0 40 FKAB Cc1ccsc1[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 20426895 BRCVNRGDISZIIC-NRFANRHFSA-N 371.465 5.376 0 40 FKAB Cc1sc(Nc2ccccn2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 23625537 ICINDYQJIUQNRE-UHFFFAOYSA-N 366.490 5.242 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 30870547 OAYCCXLKMMYPIG-JXFKEZNVSA-N 357.519 5.079 0 40 FKAB Clc1ccc(Nc2nc(-c3ccccc3Cl)cs2)c(Cl)c1 67321768 XGEDSRPTOFPCJK-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1 79060578 RVKYFZOVKUQFOT-HUUCEWRRSA-N 360.548 5.400 0 40 FKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468336 OCAVMTVEXIWURQ-UHFFFAOYSA-N 366.827 5.339 0 40 FKAB CC(C)=CCC[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118932833 IWHFMVBOQJXVPS-LYUFZAQGSA-N 372.637 7.143 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(CN2CCCc3ccccc32)cc1 216282186 MZYALGRNZCNWLS-UHFFFAOYSA-N 360.432 5.031 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 222687155 BSOMTAQMQWMYKP-UHFFFAOYSA-N 373.827 5.870 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 222804644 BRBILLDSFPASSU-QHCPKHFHSA-N 359.469 5.222 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 222856784 MGPSRNCBDIYOQX-UZLBHIALSA-N 359.897 5.300 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225468189 TZZRCJHBKBSXCG-LLVKDONJSA-N 372.843 5.715 0 40 FKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)c(Cl)c1 225659682 GJSBLZVWUKCLDN-ZDUSSCGKSA-N 364.917 5.522 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC)c1ccc(C)cc1 225679639 IQCXNOUPRZGRBY-GOTSBHOMSA-N 365.517 5.299 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1 225735043 NIEKAPPMIOBGRE-SIKLNZKXSA-N 367.533 5.770 0 40 FKAB Fc1ccc(Cc2ccc([C@H]3CCCN3CCc3ccccc3)nc2)cc1 257266991 MFKZNABHCMITSZ-XMMPIXPASA-N 360.476 5.191 0 40 FKAB C[C@@H]1O[C@@H]2c3cc(O)ccc3OC(C)(C)[C@H]2C[C@H]1c1cccc(Cl)c1 257319860 VUJBXUSGUYCXJP-GPZWCRHOSA-N 358.865 5.467 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc4ccccc34)o2)cc1 409197735 NNZVAAQGSJTGRI-UHFFFAOYSA-N 357.409 5.573 0 40 FKAB CCn1c(-c2ccccc2)c(C)sc1=Nc1cccc(C(F)(F)F)c1 584905938 YQSRSVBDZYZHNO-UHFFFAOYSA-N 362.420 5.796 0 40 FKAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 611945309 CKALIQMAGGEHCO-YDHLFZDLSA-N 357.416 5.086 0 40 FKAB CC/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238396 PCFLWNUQAQQXOU-ORPBRRTPSA-N 358.566 6.297 0 40 FKAB Cc1ccc2cccc(Oc3nc(C)nc4sc5c(c34)CCCC5)c2n1 1006929 QMPXLLWTBZYTEQ-UHFFFAOYSA-N 361.470 5.527 0 40 FKAB Cc1ccc([C@@H]2CN(c3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)cc1 1394177 QZYGLNHINUUFHC-XZOQPEGZSA-N 359.444 5.237 0 40 FKAB CCOc1ccc2[nH]c(SCCCOc3ccc(Cl)cc3)nc2c1 1926956 CWFRPAYGSKCIJB-UHFFFAOYSA-N 362.882 5.176 0 40 FKAB C[C@@H]1C[C@@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccccc1 2322923 JHEJTELHSRTSOX-IIBYNOLFSA-N 360.432 5.418 0 40 FKAB Cc1ccc(Oc2ccc(C(F)(F)F)cc2-n2cccc2)c2c1CCC2 2388202 CFIFQWRSOUQLLP-UHFFFAOYSA-N 357.375 6.086 0 40 FKAB Cc1csc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n1 3561926 OEBVLWCEHOWXLL-UHFFFAOYSA-N 364.426 5.029 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1C 3908524 PZJREJNLRZACML-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB CSc1nc(Sc2ccc(Cl)cc2)c2sc3ccccc3c2n1 4092639 BWSXLSFDPUBPRB-UHFFFAOYSA-N 374.943 6.371 0 40 FKAB c1ccc(-c2ccc(C3=NN(c4ccccc4)[C@@H](c4ccco4)C3)cc2)cc1 4837125 WMGRXYDWWYXEEI-XMMPIXPASA-N 364.448 6.302 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 6202950 YBGBPNOSTVKJSZ-KZULUSFZSA-N 372.509 5.857 0 40 FKAB CCN(C(=O)NC1CCCCC1)[C@H](C)Cc1cccc(C(F)(F)F)c1 6462969 CDJBFACHPILJDU-CQSZACIVSA-N 356.432 5.001 0 40 FKAB COc1ccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)cc1 6566912 ICMIEGNZLNTRHV-UHFFFAOYSA-N 366.424 5.296 0 40 FKAB O=C(c1cccnc1Sc1ccccc1)N1CCC[C@@H]1c1cccs1 6608208 VJVXDPGKSWLQDB-QGZVFWFLSA-N 366.511 5.272 0 40 FKAB Cc1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1C 6788940 WQOXMSOKZQGYNM-UHFFFAOYSA-N 356.878 5.262 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1 7343545 AZUKLGGPKQPARB-UHFFFAOYSA-N 367.408 5.537 0 40 FKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3-n3cccc3)c2c1 11865287 VAAJGNVHULNMOP-UHFFFAOYSA-N 355.393 5.559 0 40 FKAB biogenic Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1C 11917492 FRQVYOPDBANVPF-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)cc2)c2sccc2N1 12375545 OKAAUKKBUQGBLG-INIZCTEOSA-N 369.873 5.455 0 40 FKAB CCOc1ccc2c(=O)c(-c3ccccn3)c(/C=C/c3ccco3)oc2c1 12554453 QRZWIQKTMSLFHE-PKNBQFBNSA-N 359.381 5.017 0 40 FKAB Cc1cc(Br)ccc1NC(=O)/C=C\c1cccc2ccccc12 12954021 NJPTWAREGQALRK-XFXZXTDPSA-N 366.258 5.563 0 40 FKAB CCCCc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 13747948 JVYGPPZZUBZOGN-UHFFFAOYSA-N 352.425 5.857 0 40 FKAB COc1ccccc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C 16348559 NYVIIFMHKDJXTI-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Cc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(C)c3)c2C)c1 17075927 NJLSTYYXGIUPNK-UHFFFAOYSA-N 370.471 6.330 0 40 FKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nc4ccccc4s3)o2)c1 17483919 HPIUJPFIOYGYQT-GFCCVEGCSA-N 353.472 5.508 0 40 FKAB CCOc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)cc1 48262100 FZWYECFTKZUNKL-JOCHJYFZSA-N 362.473 5.386 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(Br)c1 51354377 NVAZZXBINZNEOP-UHFFFAOYSA-N 369.646 5.064 0 40 FKAB Cc1c(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)oc2ccc(Cl)cc12 58306585 GQSYZPSCMFIZOI-RTBURBONSA-N 369.848 5.045 0 40 FKAB O=C(C1CCCCC1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380278 SKRFBTPSHMCPRH-KRWDZBQOSA-N 371.912 5.016 0 40 FKAB Cc1cccc(C)c1NC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 97164618 HNYULYSXKCCNQR-HSZRJFAPSA-N 370.496 5.677 0 40 FKAB COc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(O)cc1)C(C)(C)N2 101210808 COPGGVHSFLAPGL-CZIZESTLSA-N 370.499 5.084 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCS[C@@H](c2ccccc2Cl)CC1 208046780 MDGQCPRPEOQXQT-LJQANCHMSA-N 371.889 5.407 0 40 FKAB CCSc1ccccc1C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223108503 GPDWLIZMIMPUKC-HXUWFJFHSA-N 353.531 5.559 0 40 FKAB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)c(C)c1 224870406 DFCJCBNGCPTLDB-QFIPXVFZSA-N 359.469 5.552 0 40 FKAB Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Br 226248472 KJPNQAPDFQHSKI-UHFFFAOYSA-N 373.637 5.701 0 40 FKAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(CC)cc1 409105874 JMVDUCYYPPLCPL-UHFFFAOYSA-N 351.519 5.313 0 40 FKAB CC(C)(C)c1cc([C@H](c2ccccn2)N2CCCC2)cc(C(C)(C)C)c1O 1463341 HFNOBFOCOZMYKF-OAQYLSRUSA-N 366.549 5.567 0 40 FKAB CC(=O)c1c(Br)c2n(c1C)-c1ccccc1-c1ccccc1-2 1610049 JVCYLSBYDAQUKH-UHFFFAOYSA-N 352.231 5.398 0 40 FKAB O=C(Oc1ccc(-c2ccccc2)cc1Br)c1ccccc1 1621427 HNOUUPFJAYHYIH-UHFFFAOYSA-N 353.215 5.335 0 40 FKAB CCCCOc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 1791022 LNTMLCSIUDZMQL-UHFFFAOYSA-N 358.507 5.508 0 40 FKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 3097546 NFRFWDXNJNCCSM-NRFANRHFSA-N 362.860 5.674 0 40 FKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 3219385 YCLBTPCUFMEPLX-UHFFFAOYSA-N 373.452 5.074 0 40 FKAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)Cc3ccsc3)nc2c1 3340715 JWBCKCRAYBDYKB-UHFFFAOYSA-N 358.532 5.206 0 40 FKAB Cc1ccccc1Nc1c(-c2c(F)cccc2Cl)nc2ccccn12 3911623 KSUXNKDMNGSBND-UHFFFAOYSA-N 351.812 5.846 0 40 FKAB Clc1ccc(-c2nc3ccccc3cc2Oc2ccccc2Cl)cc1 4051412 ASDSOOYGOONMOT-UHFFFAOYSA-N 366.247 7.001 0 40 FKAB Cc1ccc(OCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 5023395 ZZIQKECYKUIGTN-SAPNQHFASA-N 368.480 5.984 0 40 FKAB Cc1occc1-c1nnc2sc(/C=C/c3ccc(C(C)C)cc3)nn12 5032103 OBYKMVKRTFEPOG-RMKNXTFCSA-N 350.447 5.048 0 40 FKAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CCOc1ccccc1 5235826 QUMYDBFAFPXMRM-SFHVURJKSA-N 358.441 5.255 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2)N3)C1 5274747 SXHAKQLTSBVHCG-OYRFGAIQSA-N 366.530 5.669 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1 5839679 IXRFNAJZNCDZIW-JLHYYAGUSA-N 358.279 5.399 0 40 FKAB O=C(Cc1ccccc1Cl)Nc1ccc(OCc2ccccc2)cc1 6401034 QNVHJJWMGADGKD-UHFFFAOYSA-N 351.833 5.100 0 40 FKAB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 6449869 IPKLUUPYNQKTSJ-XSFVSMFZSA-N 358.397 5.083 0 40 FKAB Cc1ccc(COc2ccc(-c3ncncc3-c3ccccc3)c(O)c2)cc1 6661850 YPIORJVHQLBTDN-UHFFFAOYSA-N 368.436 5.404 0 40 FKAB biogenic Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6965685 KOTAKFHETDTMLT-ZKTNFTSUSA-N 374.267 5.827 0 40 FKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccc(F)cc1 8265375 NZPZUNUVOZMDCG-LBPRGKRZSA-N 357.429 5.412 0 40 FKAB O=C(O)[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 12249694 FQIXXCWQCRXWEY-HXUWFJFHSA-N 372.449 5.215 0 40 FKAB C[C@H](CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 12541206 HEVWUGLERSUYEX-OAHLLOKOSA-N 361.470 5.195 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12748533 HUSKVLPAVVPQOZ-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 13671999 CSKURHDUWZIAMZ-NTEUORMPSA-N 365.473 5.121 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 14258067 JTYVBKQOLALHLT-UHFFFAOYSA-N 360.388 5.449 0 40 FKAB O=C(Oc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 27529769 OTLLKYSWTVZPOJ-UHFFFAOYSA-N 353.830 6.142 0 40 FKAB in-vivo Cc1n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc2[n+]1C 27987887 MVLPYDDOAZWHMO-UHFFFAOYSA-N 356.474 5.040 0 40 FKAB CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 32223376 AJQMFUYBFQQAKA-UHFFFAOYSA-N 368.483 7.466 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 64983064 HVSKREZVFKJFFN-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB Cc1ccc([C@@H]2C(CN(C)C)=C(c3cccs3)Oc3ccccc32)cc1 71405261 HUVWGTPFVDNZKZ-QFIPXVFZSA-N 361.510 5.554 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CCC 72215040 DJIQMLUQBKQOPW-GOSISDBHSA-N 361.530 5.170 0 40 FKAB CC(C)CCN1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102055150 VPRRRKHFFNPDRR-UHFFFAOYSA-N 361.898 5.072 0 40 FKAB Cc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 106955051 JWQVOVRTGYXUFH-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 215986535 XMZJVLFSRNTRBN-HSZRJFAPSA-N 355.437 5.789 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 219541394 WBIYTVIIQASBKH-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB CCSc1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225356222 YWPCESUKSQXSJG-UHFFFAOYSA-N 354.302 5.677 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225526978 YTVOIBHXHDZDAU-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB CCOc1ccccc1NC(=S)NCCCSCc1cccc(C)c1 225603106 XOQMRGNUBKHQQG-UHFFFAOYSA-N 374.575 5.004 0 40 FKAB CCSc1ccccc1C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225722679 ZFAVMFKGEIFNSF-GOSISDBHSA-N 369.530 5.611 0 40 FKAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c2ccccc12 225841557 FPKAQPINADUCSM-HSZRJFAPSA-N 371.521 5.799 0 40 FKAB CC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 253532254 OXWZCBBGEYDJCU-KBEAJZRGSA-N 356.550 5.894 0 40 FKAB biogenic,in-vitro COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2c3c(cccc13)CC2 408629151 MJWFPWBQGPIJFJ-UHFFFAOYSA-N 372.251 5.506 0 40 FKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(CC)cc2)cc1 408733612 MFSQPMPJIYYJLZ-HSZRJFAPSA-N 372.468 5.419 0 40 FKAB Cc1[nH]c2ccc(C(=O)Nc3cnn(CC(C)C)c3C(C)C)cc2c1C 501623331 XUGUNTLGYCTXNZ-UHFFFAOYSA-N 352.482 5.013 0 40 FKAB Brc1ccc([C@H](c2c[nH]c3ccccc23)N2CCCC2)cc1 1775971235 POZZOFXHOGJZCV-LJQANCHMSA-N 355.279 5.116 0 40 FKAB Cc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCCC2 2275241 LYXBJJMVMJQOMY-UHFFFAOYSA-N 374.513 5.081 0 40 FKAB Cc1cccc(-c2nsc(SCC(=O)c3ccc(Cl)cc3)n2)c1 2917590 ZKTYTEORWLGWQU-UHFFFAOYSA-N 360.891 5.142 0 40 FKAB CC(C)(C)c1ccc(CSc2nnc(NC3CCCCC3)s2)cc1 3334103 SPDPBBKSUWJQGV-UHFFFAOYSA-N 361.580 5.873 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)C3(c4ccccc4)CC3)ccc21 3454112 IYPRLKZCAFIBEK-UHFFFAOYSA-N 354.453 5.485 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 4072673 PQGASVUEPPSOLP-UHFFFAOYSA-N 354.450 5.499 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1)C2=O 4073554 BXEKJWVUCNPPSL-XWCFPHTESA-N 362.557 6.682 0 40 FKAB biogenic Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccccc1 4554531 AROVJUCTVKONMD-SDNWHVSQSA-N 370.477 5.924 0 40 FKAB Fc1ccc(F)c(-c2cn3nc(C45CC6CC(CC(C6)C4)C5)sc3n2)c1 6025490 ZELDUQGKNSIWDS-UHFFFAOYSA-N 371.456 5.204 0 40 FKAB CCCCc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1 6910352 RKVZEEBYACXCEW-UHFFFAOYSA-N 359.498 6.445 0 40 FKAB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1OC 6964019 DFTKTBQHMOWCLU-HMMYKYKNSA-N 371.436 5.313 0 40 FKAB Cc1cc(-c2ccccc2)nc(SCc2coc(-c3cccs3)n2)n1 7625017 OZKJOUNHGACLOB-UHFFFAOYSA-N 365.483 5.461 0 40 FKAB O=c1oc2ccc(Cc3ccccc3)cc2cc1-c1nc2ccccc2s1 8411953 WPZVPBUWEYPHJW-UHFFFAOYSA-N 369.445 5.661 0 40 FKAB C[C@@H](NCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 8535297 AJQZKUYFBDKVRC-HXUWFJFHSA-N 367.492 6.270 0 40 FKAB CCCCN1C(=O)c2ccccc2[C@@H]1NC1CCCCCCCCCCC1 9553771 QXYBYBITFIHHJH-HSZRJFAPSA-N 370.581 6.204 0 40 FKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(c1ccccc1)c1ccccc1 11916105 MPVXVOUCTAAKIW-UHFFFAOYSA-N 374.827 5.974 0 40 FKAB O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)c2sccc2N1 12374457 APVFCLNKIQWGRF-QGZVFWFLSA-N 369.873 5.455 0 40 FKAB COCc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)oc2ccccc12 14803767 HNQYUUHYHVCDBK-LJQANCHMSA-N 371.864 5.360 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 19690637 TZKIGUMEUSGJFT-HSZRJFAPSA-N 374.459 5.102 0 40 FKAB COc1cccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)c1OC 19879415 AACUFOSLHZEURW-QFIPXVFZSA-N 373.456 5.090 0 40 FKAB CCc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22237698 CLUQQSPSMPXNFZ-UHFFFAOYSA-N 351.475 5.034 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 23119862 ZILNXKZKLSEIDX-UHFFFAOYSA-N 362.477 5.013 0 40 FKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(C)cc4)no3)nn2)cc1 33262441 ULDIRWINBAVMTF-UHFFFAOYSA-N 374.469 5.103 0 40 FKAB O=C1CSC2(CCCCC2)N1c1ccc(OCc2ccccc2)cc1 49947092 RQRLBWQYDKIGRU-UHFFFAOYSA-N 353.487 5.006 0 40 FKAB CCSc1ccccc1NC(=O)c1oc2cc(C)c(Cl)cc2c1C 80344476 OHKNQHXYMKSILA-UHFFFAOYSA-N 359.878 6.067 0 40 FKAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1[C@@H]3CC[C@H](C3)[C@@H]21 102027782 HLZNOJRSHYTLRA-QBMFEFEHSA-N 353.849 5.335 0 40 FKAB CCCOc1ccc2ccccc2c1CNc1ccc(Br)cc1 106993408 CIIICNVSRJCAKE-UHFFFAOYSA-N 370.290 6.003 0 40 FKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 214160939 WYGMLDHSJYZDCV-SJPXOZHESA-N 367.470 5.100 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219325116 TWNNOSBDYUADHR-PMACEKPBSA-N 359.897 5.382 0 40 FKAB C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222906272 DIXNUCTUPXHACE-OAHLLOKOSA-N 373.949 5.578 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(OC)cc1 224323116 KVVQSSVPNWZXNO-DYESRHJHSA-N 369.505 5.162 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1C 224719861 QWXVIEKNKMOKAN-UGKGYDQZSA-N 367.533 5.770 0 40 FKAB CCc1ccc(CC)c(CNC(=O)c2ccccc2CCc2ccccc2)c1 225033130 USRQPMOMTAMXGE-UHFFFAOYSA-N 371.524 5.527 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 225367642 RIMICLLGKCTDPI-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 225530807 NIRKIYZRDMUJKK-UHFFFAOYSA-N 367.489 5.325 0 40 FKAB CCCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225861802 UQKOZHNIKWBZRO-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB Clc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)c(Cl)c1 226240449 JDNUKIVZASKUBN-UHFFFAOYSA-N 371.695 5.096 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 408562940 GVHBZJLTVLLPIX-GOSISDBHSA-N 361.510 5.214 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)/C(=C/c1ccco1)c1ccccc1 408580511 RCTZQUKEMMUGAR-NTCAYCPXSA-N 358.224 5.766 0 40 FKAB CC(C)CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C 575473139 HSFFJGLNCRILIN-CQSZACIVSA-N 355.478 5.134 0 40 FKAB CCc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1 979571 LDDGITFAPXFZAZ-UHFFFAOYSA-N 352.459 5.052 0 40 FKAB Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)c(C)c1 1084286 JMVZIZAAEJFFFW-UHFFFAOYSA-N 358.466 5.393 0 40 FKAB CC1(C)CC(=O)c2c(nc(-c3ccc(Cl)cc3)c3[nH]c4ccccc4c23)C1 1321590 SNNICBJMXMFPGR-UHFFFAOYSA-N 374.871 6.192 0 40 FKAB biogenic COc1ccc(CNc2cc(C)nc(SCc3ccc(C)cc3)n2)cc1 1376080 PFAFPHUCECEUTJ-UHFFFAOYSA-N 365.502 5.006 0 40 FKAB Cc1cccc(C)c1NC(=O)CCCSc1nc2ccccc2s1 2623019 BFZPGSBDGFXYRA-UHFFFAOYSA-N 356.516 5.424 0 40 FKAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(CC(C)C)cc2)cc1 3330950 BTDYBHMPJMSAJT-MRXNPFEDSA-N 356.535 5.331 0 40 FKAB Cc1c(C(=O)Oc2ccc(Cl)cc2)oc2ccc(Br)cc12 3550241 JSKIYCNWMUHGPK-UHFFFAOYSA-N 365.610 5.376 0 40 FKAB Cc1ccc(C)c(OCCn2cc(C(=O)c3ccco3)c3ccccc32)c1 3655962 LTNOOUWMNMIUSD-UHFFFAOYSA-N 359.425 5.161 0 40 FKAB CCCCC(=O)O[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 3830783 RSEPBGGWRJCQGY-JSSYZSAGSA-N 356.506 5.350 0 40 FKAB in-man COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 4031624 ZZKFZMRCTMUGDJ-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB COc1ccc(-c2c(C)c3cc(OCC=C(C)C)ccc3oc2=O)cc1 4340602 NQOHAWDLNZGOSI-UHFFFAOYSA-N 350.414 5.122 0 40 FKAB biogenic Cc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1 4455991 SUHLABOPKSZPGN-UHFFFAOYSA-N 352.356 6.020 0 40 FKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 4545496 AGIVSABCAYSXSN-BFUOFWGJSA-N 368.546 5.989 0 40 FKAB Cc1ccccc1OCC(=O)Nc1ccccc1-c1nc2ccccc2s1 4554812 ZGRRZXCLJPDTAL-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H](C)c2ccccc2)cc1 4691523 KHTFQQBMMTVIDX-QZTJIDSGSA-N 366.505 5.042 0 40 FKAB CC(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C 5104384 WRNWDURPUAFISP-CPULIJCGSA-N 358.610 6.897 0 40 FKAB O=C(N[C@H]1CCSc2ccccc21)C(c1ccccc1)c1ccccc1 5425686 NLSFVQNNUOSGJE-FQEVSTJZSA-N 359.494 5.172 0 40 FKAB CC1(C)c2ccccc2N2C(c3ccccc3)=NN(c3ccccc3)[C@]21C 5499034 RPIRGGPVGRSXOP-DEOSSOPVSA-N 353.469 5.382 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 6282809 DBKRCTUEEVBFEF-UHFFFAOYSA-N 369.420 5.650 0 40 FKAB COc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 6840018 OEDHNWXTUCFBDA-UHFFFAOYSA-N 373.408 5.273 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2C)cc1Cl 6966817 UKARDMIMVVEEAG-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB CCSc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 7572850 FYRHHIYCSRZPMU-UHFFFAOYSA-N 354.500 5.483 0 40 FKAB O=C(c1cc2c(F)cccc2s1)N(Cc1ccco1)Cc1cccs1 9453020 KITAYIGRIIVNKS-UHFFFAOYSA-N 371.458 5.538 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10276495 RGKGVDKVIMFNSZ-CABCVRRESA-N 359.897 5.282 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(F)cc1 10542808 QLMAMSBZYWGTKB-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)o1 13641012 BHXMGNYPGUSNCO-UHFFFAOYSA-N 365.216 5.034 0 40 FKAB COc1ccc(Nc2ccc3ccc(Nc4ccc(OC)cc4)cc3c2)cc1 16217185 MIUXMEBOBUDWFB-UHFFFAOYSA-N 370.452 6.344 0 40 FKAB CC[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 16695695 MARXIEPXUFOSFT-UYAOXDASSA-N 361.482 5.260 0 40 FKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)C1CCCC1 17440357 SZUSEKXWOXTNQR-UHFFFAOYSA-N 365.502 5.299 0 40 FKAB CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1OCC 20039206 FKTWEVCGQGHYDS-UHFFFAOYSA-N 361.869 5.017 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 20458016 ZNMKKVFNFKQPQS-LPHOPBHVSA-N 359.897 5.300 0 40 FKAB CC(C=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 49959296 SVKCVOLGOYLFJW-UHFFFAOYSA-N 360.500 7.125 0 40 FKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 59475444 BBWJHJOASJUYCR-UHFFFAOYSA-N 357.759 5.400 0 40 FKAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccc(F)cc3)n2)cc1 72357606 ZPWFDRJXXRIHPP-HSZRJFAPSA-N 374.459 5.097 0 40 FKAB O=C1N=C(Nc2cccc(Cl)c2)/C(=C/c2ccc3nccnc3c2)S1 72401302 ZXOXHYXYUYWWKL-SXGWCWSVSA-N 366.833 5.002 0 40 FKAB CC[C@@H](C)Nc1nnc(SCc2csc(-c3cccs3)n2)s1 89942318 OIZMQQWLYAMGBX-SECBINFHSA-N 368.578 5.226 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 95868156 XIIAYQZJNBULGD-BOKDSARMSA-N 372.681 8.498 0 40 FKAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 100396410 AKWQNBASWJIRBS-LNVKXUELSA-N 362.885 6.092 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 223033127 XBWZBDHBVCBPAX-SFTDATJTSA-N 373.924 5.690 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)ccc2C)cc1C(C)C 223329456 AGUREGYRUQAWSC-GOSISDBHSA-N 369.505 5.000 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224419326 LGXMMILWSAUZAR-OAHLLOKOSA-N 359.425 5.554 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1C 224556287 CSRTUCXOCGACNL-GCJKJVERSA-N 365.517 5.217 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225608617 PVARNJVFQMKIPF-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB Cc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1C 225827853 OIMDTOLQMMPDJA-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O[C@@H]3CCCCO3)CC[C@H]12 245241280 ZULBOIQTAAUGKN-XBSVSHMGSA-N 374.565 5.510 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 408621955 NPQLCBKJZBENSX-UHFFFAOYSA-N 368.477 5.102 0 40 FKAB Cc1cccc(NC(=O)CCC(=O)c2ccc(Oc3ccccc3)cc2)c1 408823515 FRXXKELDPVFDTQ-UHFFFAOYSA-N 359.425 5.389 0 40 FKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409097425 NREQPPDSJYCBPM-UHFFFAOYSA-N 357.910 5.707 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 859882 SWEXGWPBCRTRMZ-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Cl 1092760 JZLYTVWOVHOJEX-UHFFFAOYSA-N 357.881 5.714 0 40 FKAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccc(Cl)c1 1330011 IDAKJJMLEMIZPR-UHFFFAOYSA-N 370.861 5.215 0 40 FKAB C[C@H](Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)c1ccccc1 2180076 HJEGEVXNQGHKHU-DBZAVIBRSA-N 369.420 5.171 0 40 FKAB CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccc(Cl)cc1Cl 2220361 HYWDDTMBQPENQF-HNNXBMFYSA-N 369.225 5.523 0 40 FKAB CC(C)=CCC/C(C)=C/COc1ccc2c3c(c(=O)oc2c1)CCCC3 2226988 SLSCVBBSAQXGND-GHRIWEEISA-N 352.474 5.743 0 40 FKAB CCCCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 2346662 UNKROYKHAKNQQM-UHFFFAOYSA-N 368.546 5.190 0 40 FKAB biogenic COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2ccccc2)n1 2733367 DCOYAUVHUFWEBQ-UHFFFAOYSA-N 370.452 5.283 0 40 FKAB Cc1ccc(-c2ccc(C(=O)N(c3ccccn3)c3ccccn3)cc2)cc1 3181491 JBTADLCSAOEVHJ-UHFFFAOYSA-N 365.436 5.431 0 40 FKAB Cc1cc(C)cc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c1 3269382 RNYUFKIRHDGMJO-UHFFFAOYSA-N 372.493 5.295 0 40 FKAB O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1ccc(F)cc1 4162857 ZFBOUEKDSOCLHI-IBGZPJMESA-N 353.418 5.189 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccc(Br)c2)cc1 4666421 LXDIYMLBEMOWQK-AWEZNQCLSA-N 360.295 5.390 0 40 FKAB CCc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 4819980 CFUNVRFTNBJMMT-UHFFFAOYSA-N 368.415 5.337 0 40 FKAB C[C@@H](NC(c1ccccc1)c1ccccc1)c1nnc(-c2cccs2)o1 6510757 CIMYURWWXGOLKH-OAHLLOKOSA-N 361.470 5.238 0 40 FKAB Cc1[nH]c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2c1C 6789541 PMQIDEQCDWFEPR-UHFFFAOYSA-N 354.453 5.304 0 40 FKAB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810564 WGXDZOPRBYJFSD-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1F 6857379 OMZDMTYFAKXREN-UHFFFAOYSA-N 373.512 5.718 0 40 FKAB CCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(C(C)C)cc4)ccc1c23 10096133 WMTPMRNPWMMJLA-UHFFFAOYSA-N 372.468 5.125 0 40 FKAB CCCCC[C@H]1CCc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2C1 13282821 WDGLMPAEMFXTSE-HNNXBMFYSA-N 363.423 6.332 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1C[C@@H](C)C[C@@H](C)C1 14163188 SQVXINVALFBTPV-SAHWJRBASA-N 360.501 5.378 0 40 FKAB Cc1ccc(/C=C/c2nn(-c3ccccc3)c3c(=O)ccccc23)cc1C 19909802 VIHQTBFJEXXPDM-CCEZHUSRSA-N 352.437 5.173 0 40 FKAB C[C@@H](SCc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1F 22883674 VWGDXGCCHXEWNX-SNVBAGLBSA-N 358.265 5.393 0 40 FKAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 33688172 UHQMSKFYLNNZAY-QHHAFSJGSA-N 357.620 5.324 0 40 FKAB CCCOc1ccc(Br)cc1CNc1cccc(Cl)c1C 37196602 DYAUYNQSSXXOAU-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C)cc1 44900938 KGJVHNMKOVAMRV-SFHVURJKSA-N 365.901 5.288 0 40 FKAB COc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2C)cc1 59255942 XTWWMPZOEYEEIR-UHFFFAOYSA-N 365.285 6.178 0 40 FKAB Cc1nnc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)s1 59382449 DUWLCPXFCKVQGO-UHFFFAOYSA-N 374.534 5.931 0 40 FKAB CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(CC)ccc3o2)c1 70462021 SMWBSMVJQUPKCG-UHFFFAOYSA-N 352.434 5.200 0 40 FKAB COc1ccccc1[C@H]1Nc2ccccc2[C@H](c2ccc(Cl)cc2)O1 72314743 MZNGQDAXXCMZSN-SFTDATJTSA-N 351.833 5.579 0 40 FKAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)[nH]n2)c1 72427482 IVPFRIKFKAIGCE-UHFFFAOYSA-N 363.461 5.083 0 40 FKAB Cc1ncsc1C(=O)N1CC[C@H](C)Sc2ccc(C(F)(F)F)cc21 84065589 NJAJURMZWSDEED-VIFPVBQESA-N 372.437 5.001 0 40 FKAB CCCn1c(C)c(C(=O)Nc2cccc3cccnc23)c2cc(OC)ccc21 84759127 ZXYSBGXLCXOJET-UHFFFAOYSA-N 373.456 5.169 0 40 FKAB COc1ccc(C)cc1[C@H]1CC(=O)[C@]2(C=C1C)C(C)=N[C@@]1(C)CCCC[C@H]12 85408692 ZGEKFEQZCLSBIE-IZSMGAQTSA-N 365.517 5.416 0 40 FKAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 95115904 ZQJKPFYYUXROKH-GOSISDBHSA-N 368.795 5.064 0 40 FKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)c1C 96037347 YSPAGCNJYFWSHR-UHFFFAOYSA-N 359.473 5.583 0 40 FKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 196945299 PDSOTZZWMVTHLQ-HXUWFJFHSA-N 350.801 5.121 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1C 222914277 GNOAONZSIZYUHM-LJQANCHMSA-N 359.897 5.742 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 225094811 RGSVJWVKBFKPIJ-KRWDZBQOSA-N 361.485 5.048 0 40 FKAB c1ccc(OCC2=N[C@H](c3ccccc3)c3ccccc3-n3cccc32)cc1 225373572 HBWZBKZZMXPMIW-RUZDIDTESA-N 364.448 5.448 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1 225661507 XNZZNBNCONGCRQ-VGOFRKELSA-N 359.510 5.322 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@@H](C)C1 225667489 DNPUBHADKCNNSB-AUUYWEPGSA-N 353.890 5.053 0 40 FKAB O=C(NCc1cccnc1-c1cccs1)c1cc2cc(F)ccc2s1 225760440 CPAOXJZBEBUHIV-UHFFFAOYSA-N 368.458 5.094 0 40 FKAB Cc1cc(C)cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225809757 ZIUIAFSWIAYVJV-UHFFFAOYSA-N 356.510 5.241 0 40 FKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C(C)C)c3C)N21 260771931 MARZADRDSJRWAX-UXPWSPDFSA-N 368.550 5.060 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(CC)cc1 408585452 DXHSNOBWNUOBLS-UHFFFAOYSA-N 362.267 5.053 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 408628874 GASALYFQIBCFRP-UHFFFAOYSA-N 372.896 5.146 0 40 FKAB Cc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1C 409043853 AYCBPTDXJUNDOM-UHFFFAOYSA-N 363.313 6.786 0 40 FKAB COc1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 984739 NURKBLZKRNZLHL-QFIPXVFZSA-N 361.466 5.759 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 1024739 IUOVUHKJLLXHLL-UFBKQNNJSA-N 364.316 6.261 0 40 FKAB Cc1c(Br)cc(C(=O)Nc2ccccc2Cl)c(C)c1C 1462892 HSTSBFASZIUTHJ-UHFFFAOYSA-N 352.659 5.280 0 40 FKAB CN(C)CCCN1c2ccccc2Sc2c(Cl)cc(Cl)cc21 1692924 BRABGWAAPWTHSE-UHFFFAOYSA-N 353.318 5.548 0 40 FKAB CC1(C)C[C@@H](c2nc(-c3ccc(Br)cc3)cs2)CCS1 2271041 MFYBJCVTOBFISX-LBPRGKRZSA-N 368.365 5.962 0 40 FKAB CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccccc1 2319320 ULJLJRDUACYJPN-QFIPXVFZSA-N 361.485 5.435 0 40 FKAB CCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2430214 YLKRJTLARAOIFO-UHFFFAOYSA-N 357.244 5.363 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(Oc2ccccc2)c1 2651110 ATPXWDFUPSSKCO-UHFFFAOYSA-N 369.420 5.893 0 40 FKAB CC(C)(C)c1ccc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 3333218 LLWGYGCBZBALAG-UHFFFAOYSA-N 361.485 5.701 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)oc1ccccc12 4538921 PISODCPSLSUWDF-UHFFFAOYSA-N 367.404 5.757 0 40 FKAB O=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 5125399 FJLJZHZLKZABLY-UDFXALJUSA-N 368.436 5.406 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1 5699286 LOVDDPVLMGUAHI-UHFFFAOYSA-N 350.599 5.101 0 40 FKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(C)C)c1 5862167 ZZRYBNQMIPDSCL-UHFFFAOYSA-N 370.518 5.116 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 5909456 JUDODDKZZMBZRK-CQSZACIVSA-N 360.413 5.854 0 40 FKAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1-c1ccccc1 8041719 VLFGCHPLJNZUDG-HXUWFJFHSA-N 361.441 5.158 0 40 FKAB CC[C@@H](C)NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 8326029 WSKIFIXAPSZSSH-CYBMUJFWSA-N 368.304 5.469 0 40 FKAB Cc1cc(C)c2oc(-c3cc(NC(=O)/C=C/c4ccco4)ccc3O)nc2c1 9420891 BHJPSQXUFVTZNH-SOFGYWHQSA-N 374.396 5.062 0 40 FKAB Cc1c(C(=O)Nc2ccccc2Cl)sc2nc(-c3ccccc3)cn12 13999828 QCLUEIIBRLIEQQ-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB Cc1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccc(Cl)cc2)cc1 16292133 OYHQLWZUHYIZSP-OAQYLSRUSA-N 367.851 6.214 0 40 FKAB COc1ccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1 17593187 KLCHTBPNRMGCSQ-UHFFFAOYSA-N 371.440 5.101 0 40 FKAB Cc1ccc(-c2c(C(F)(F)F)nn3c(N4CCCCC4)cc(C)nc23)cc1 21799341 RXXKJTCBYTXVCP-UHFFFAOYSA-N 374.410 5.022 0 40 FKAB O=C(Nc1cccc(/C=C\c2ccccc2)c1)c1csc2c1CCCC2 26947181 OVOIRCNZBHNKQI-YPKPFQOOSA-N 359.494 6.050 0 40 FKAB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640209 ZEZHPTYTCOOIMP-YCSHWKNNSA-N 354.534 6.071 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)NCc3ccccc3Cl)c2c1 46086387 BSYJJYQUORUEGH-UHFFFAOYSA-N 371.864 5.504 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccccc1Sc1ccccc1 59244560 NWUWGEFHEJMBDY-UHFFFAOYSA-N 365.523 5.959 0 40 FKAB C[C@H](CCNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 60339479 HQGXRDBTGWKABL-OAHLLOKOSA-N 364.411 5.041 0 40 FKAB Cc1cccc(-c2csc(C(=O)NCc3ccccc3)c2-n2cccc2)c1 64472518 GUAIWJCQRIMOAW-UHFFFAOYSA-N 372.493 5.444 0 40 FKAB Cc1cc(-c2csc(-c3cccc(O)c3)n2)c(C)n1CC(F)(F)F 72097464 IDWGVILJKJRTAJ-UHFFFAOYSA-N 352.381 5.163 0 40 FKAB Cc1cc(C)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 85345348 SOAJDYKLHPZZQU-UHFFFAOYSA-N 357.240 6.414 0 40 FKAB Cc1ccc(C2C[C@H]3CC[C@H](C2)N3C(=O)c2csc3c2CCCC3)cc1 100476132 VWSOAYQTKAJFTD-RTBURBONSA-N 365.542 5.486 0 40 FKAB Clc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 106979863 QOXPBPMZXZXCJG-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC1(C)c2ccccc2N(c2ccccc2)c2ccc(Br)cc21 112974748 YJURGFBTNNIONW-UHFFFAOYSA-N 364.286 6.558 0 40 FKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 146640672 NSZBSPJIJXPGII-LSTHTHJFSA-N 371.864 5.151 0 40 FKAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 223661418 AQPFPEBABIFJNR-VUVZNRFTSA-N 369.892 5.552 0 40 FKAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(-c2cccs2)cc1 225655900 ASDOWWLAFPZNLR-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB O[C@@H](c1ccc(Br)cc1)c1ccc2c(c1)Cc1ccccc1-2 226296695 YKTISVBYECFHDX-FQEVSTJZSA-N 351.243 5.102 0 40 FKAB CC(C)(C)c1cnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1 227163744 AEEPWDWGMOQLTP-UHFFFAOYSA-N 361.873 5.037 0 40 FKAB COc1ccc(CNc2cccc([C@H]3CCCN3C3CCCCC3)n2)cc1 257267755 MIPXGYSJLTVNAL-JOCHJYFZSA-N 365.521 5.172 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408563318 LIFOFVVJRALBSX-UHFFFAOYSA-N 361.485 5.415 0 40 FKAB Cc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 409006298 IUFOPSUZXWBZDA-UHFFFAOYSA-N 366.486 5.128 0 40 FKAB Cc1ccc(C)c(-c2nc(Nc3ccc(Br)cc3)sc2C)c1 409046366 KHCSYFBPBQCHLP-UHFFFAOYSA-N 373.319 6.241 0 40 FKAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc2ccccc2c1 830097 CQRWJTCUGRGHGO-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB Clc1ccc(COn2c(-c3ccccc3)nc3ncccc32)c(Cl)c1 1396606 SUNDKLXQELUYIS-UHFFFAOYSA-N 370.239 5.034 0 40 FKAB Cc1ccc([C@@H](Sc2ccccc2)[C@@H]2CCc3ccccc3C2=O)cc1 2106399 IQVOSGQJDGXWQF-ISKFKSNPSA-N 358.506 6.274 0 40 FKAB Cc1ccc2c(-c3cc4cc(Br)ccc4o3)cc(=O)oc2c1 2132123 ROGMFCCMRDAMET-UHFFFAOYSA-N 355.187 5.277 0 40 FKAB biogenic COc1ccccc1[C@]1(C)CCc2oc3ccc(C)cc3c2-c2oc(C)cc21 2144746 MLLIWZVASHEDQP-VWLOTQADSA-N 372.464 6.570 0 40 FKAB biogenic CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)c(C)c1)C3 2158580 PXHJAAJAFIXPGG-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic COc1cccc(-c2nc(N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)c1O 2263887 VSMOWZPIDRUSGX-RHSMWYFYSA-N 363.461 5.002 0 40 FKAB CCCc1cc(Nc2ccc(OC)cc2)n2nc(C)c(-c3ccccc3)c2n1 2353015 CPRFCKIKAQWUGG-UHFFFAOYSA-N 372.472 5.409 0 40 FKAB O[C@@](c1ccc(Cl)cc1)(c1ccccc1Cl)C(Cl)(Cl)Cl 2557520 LUXSISXJGNCOKN-ZDUSSCGKSA-N 370.490 5.600 0 40 FKAB in-vitro COc1ccc(/N=c2/nc(-c3ccc(C)cc3)n(-c3ccccc3)s2)cc1 2666136 JYXZQYHEHNCACA-FCQUAONHSA-N 373.481 5.150 0 40 FKAB Cc1ccc(SCc2ccc(CSc3ccc(C)cc3)cc2)cc1 3049007 WDVMGEHXEXVRFZ-UHFFFAOYSA-N 350.552 6.888 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OC)c(Br)c1 3296265 NNQUGYTWEBTMSA-LBPRGKRZSA-N 362.267 5.224 0 40 FKAB Cc1cc(C)cc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 3330041 HDBBNCONAJXSLL-JOCHJYFZSA-N 368.480 5.347 0 40 FKAB S=C(Nc1ccccc1)N1C[C@H](c2ccccc2)C[C@H]1c1ccccc1 3846233 MVFHGMJMPOTYGN-IRLDBZIGSA-N 358.510 5.614 0 40 FKAB biogenic COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1O 4165015 CWMPUSKUSXTPAT-UHFFFAOYSA-N 368.436 5.544 0 40 FKAB Fc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)cc1 4377316 MDRUPUOMLFCZJM-OAQYLSRUSA-N 367.876 6.837 0 40 FKAB CCC(=O)Nc1ccc(-n2c(-c3ccc(Cl)cc3)nc(C)c2C)cc1 4704301 QGAASNOKDARJIC-UHFFFAOYSA-N 353.853 5.158 0 40 FKAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1cn(C)c2ccccc12 4747633 RVMCBERPEPPCCZ-BXKMTCNYSA-N 370.496 5.693 0 40 FKAB CCc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(C)cc23)cc1 4970251 KBJPHSLRVDAGCE-UHFFFAOYSA-N 363.464 6.112 0 40 FKAB CSc1cccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1 5222585 NPDMBIYQLQWRNN-UHFFFAOYSA-N 371.512 5.189 0 40 FKAB O=C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 6242391 HGXWBAZTILZXJU-UHFFFAOYSA-N 357.434 5.941 0 40 FKAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1Cl 6966829 ZHIMLWMSSSRNHV-YBFXNURJSA-N 362.860 5.549 0 40 FKAB Cc1ccc(CNCc2ccccc2OCc2ccccc2Cl)cc1 7525160 AVSUVFYIVOOXDZ-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1-c1nccs1 8297624 OTTGXUHWFOVDRV-UHFFFAOYSA-N 353.472 5.047 0 40 FKAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)Nc1cccc(Cl)c1 12322637 ZHWIITSHFMHLAG-KRWDZBQOSA-N 374.893 5.005 0 40 FKAB Cc1ccc([C@@H](N[C@H](C)C(=O)c2c[nH]c3ccccc23)c2cccs2)cc1 12751768 AZEJPUFFFZCHBC-OPAMFIHVSA-N 374.509 5.488 0 40 FKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccsc1 13006648 VYGAHRWUMWDSGG-UHFFFAOYSA-N 354.378 5.143 0 40 FKAB Fc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 13282020 HFSQIMQUUAJBRV-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CC(C)CCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 14246269 MHNPHUZDZWXLGC-UHFFFAOYSA-N 350.915 5.092 0 40 FKAB CCOc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1Cl 14258025 GUPCFGJFQKGEQU-UHFFFAOYSA-N 360.866 5.218 0 40 FKAB C[C@@H]1CCCN(c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)C1 17245713 AIGNTCFCDMEXAL-MRXNPFEDSA-N 366.892 5.704 0 40 FKAB Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)s1 17742640 HSMAQVOECMYROF-UHFFFAOYSA-N 350.487 5.333 0 40 FKAB Clc1ccc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)cc1 19960684 UXNNENUKYWWBIN-UHFFFAOYSA-N 361.876 5.024 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 20486564 KOMOXEOKAIOABB-OAHLLOKOSA-N 371.786 5.463 0 40 FKAB Cc1ccccc1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24832749 PQHLGCKOUGCYNU-UHFFFAOYSA-N 360.438 5.631 0 40 FKAB CSc1ccc(CSCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 25076368 CJJSYWQFHMDWMP-AWEZNQCLSA-N 371.527 5.265 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 36093813 UCAMTVWENPZTGJ-AZUAARDMSA-N 364.533 5.026 0 40 FKAB O=C(c1cc(Nc2ccc(Cl)cc2)c2ccccc2n1)N1CCCCC1 44169570 ZUQQRMCGSIAJJK-UHFFFAOYSA-N 365.864 5.258 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351387 UPMZEOIXPUKIMU-UZLBHIALSA-N 359.897 5.300 0 40 FKAB CC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=Nc4c3cnn4C(C)C)o2)cc1 71287528 NJHNTIZFYLPLPB-MRXNPFEDSA-N 363.417 5.050 0 40 FKAB O=C(Nc1cccc2ccccc12)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344360 IQUJIOCKRJIFGF-ZWKOTPCHSA-N 356.252 5.889 0 40 FKAB Cc1cccc(/N=c2/ssc3c2-c2cc(Cl)ccc2NC3(C)C)c1 103637290 SZHBWRLECKWABV-DYTRJAOYSA-N 372.946 6.331 0 40 FKAB O=C(NCCSCc1cccc(Cl)c1)C1(c2ccccc2)CCCC1 223090782 FXLKWOFDBQEXJN-UHFFFAOYSA-N 373.949 5.201 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223129752 AOQKPIOMIJBAJA-GOSISDBHSA-N 353.506 5.867 0 40 FKAB Cc1cc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)ccc1Cl 225082798 KRVHQFZOSKFYHT-AWEZNQCLSA-N 359.636 5.030 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(C)c(C)c3)ccc21 225661916 PTBVYEZZRSMOEL-UHFFFAOYSA-N 370.496 6.003 0 40 FKAB CCCCc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226040673 RRIQNCAHZXUISQ-UHFFFAOYSA-N 355.821 5.041 0 40 FKAB CCOP(=O)(OCC)C(F)(F)[C@@H](Nc1ccccc1)c1ccccc1 306145746 OZODFIXNVLOUDG-KRWDZBQOSA-N 369.348 5.699 0 40 FKAB FC(F)(F)c1ccc(-c2nc(CSCc3ccccn3)cs2)cc1 554177550 NITOVRWNPACNSK-UHFFFAOYSA-N 366.433 5.657 0 40 FKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)oc2c1 849052 XJMFRPBTECMMLX-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 942423 KSJFJPLMXLBBLG-UHFFFAOYSA-N 366.486 5.125 0 40 FKAB CSC1=NC(C)(C)CC2=C(C)C=C(C)[C@]3(CC(C)(C)N=C3SC)C2=C1 1089580 KXFAQMAXXWADQH-OAQYLSRUSA-N 374.619 6.063 0 40 FKAB CCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 1510133 JKBVXRRXNHAAOU-UHFFFAOYSA-N 358.850 5.115 0 40 FKAB COc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1 1892171 ZXOAEMGEOXIPCH-HIXSDJFHSA-N 361.828 5.994 0 40 FKAB CCCCC[C@H]1Cc2c(C)nn(-c3nc(-c4ccccc4)cs3)c2O1 1900611 VDUJRTDANDQQRB-INIZCTEOSA-N 353.491 5.188 0 40 FKAB c1ccc(C2=Nc3c(oc4ccccc34)[C@H](Sc3ccccn3)N2)cc1 2189929 ZROFNZXMJLXOCS-NRFANRHFSA-N 357.438 5.300 0 40 FKAB CC(C)Oc1ccc([C@@H](CCNC(=O)c2ccccc2)c2ccccc2)cc1 2325511 XWPUOPUHOPAYDS-DEOSSOPVSA-N 373.496 5.426 0 40 FKAB COc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 3124065 WIEARTGNBIZIBU-UHFFFAOYSA-N 355.330 5.373 0 40 FKAB COc1cc(-n2ccnc2SCc2ccccc2)c(Cl)cc1Cl 4024052 KZQMTUISMZRHFR-UHFFFAOYSA-N 365.285 5.480 0 40 FKAB CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 4863321 WQQJWLKLVWBCMJ-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)Nc2ccccc2)nn1-c1ccccc1 5446852 CDCGNJFWENJVHF-MHECFPHRSA-N 371.484 5.300 0 40 FKAB CCCCSCc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 6620824 CQKDPOGLHFFHLZ-UHFFFAOYSA-N 368.546 5.228 0 40 FKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccccc4)coc3c2)c(OC)c1 6672839 AGQOJKJXTPSGRM-UHFFFAOYSA-N 373.408 5.221 0 40 FKAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)Cc3cccs3)nc2c1 6941662 BFALCEJNTPFXDF-UHFFFAOYSA-N 358.532 5.206 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(Cl)ccn1 7990299 BEABNLAWDFEMLT-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)cc1 8917597 ZYKPVDMBSRDNNW-UHFFFAOYSA-N 351.421 5.385 0 40 FKAB CCCCn1nc(NC(=O)C2CCCCC2)c2cc3ccc(C)cc3nc21 9329356 YVVBXSFTJWCYDZ-UHFFFAOYSA-N 364.493 5.212 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1occc1COc1ccccc1 12913744 YTFAXIXEBDEERD-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 13931246 XMCZSCXBTGPRSU-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB COc1ccc([C@H]2SC(C)=Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 15086007 BWKMQZMQPAZYCZ-LJQANCHMSA-N 367.449 5.215 0 40 FKAB O=C1CS[C@H](c2ccccc2F)N1c1ccccc1Oc1ccccc1 17198362 DLMOVKXPJGUYDQ-OAQYLSRUSA-N 365.429 5.397 0 40 FKAB O=C(Nc1ccccc1Br)c1cc2cc(Cl)ccc2o1 19179729 NKNWPIOEWQKSST-UHFFFAOYSA-N 350.599 5.101 0 40 FKAB OC(CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1 20365321 QSRJFDLGXIEFAD-UHFFFAOYSA-N 372.295 5.019 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)c(F)c1 21576806 YVTYIPYQSSPPKV-UHFFFAOYSA-N 370.512 5.361 0 40 FKAB COc1ccc(OCc2c(C)n(C(=O)OC(C)(C)C)c3ccccc23)cc1 26897206 JNGXFCKTINMEDE-UHFFFAOYSA-N 367.445 5.321 0 40 FKAB Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 28579176 KGPSCCXXYSDYEU-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB COc1c(OCc2ccccc2)ccc(C(C)=O)c1OCc1ccccc1 38230935 ZDGDZZAYYSXBAY-UHFFFAOYSA-N 362.425 5.056 0 40 FKAB Cc1ccc(-c2cc3c(SCc4cc(C)ccc4C)nccn3n2)c(C)c1 38651976 FAVBALXTSQKIIR-UHFFFAOYSA-N 373.525 5.922 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1csc(-c2ccccn2)n1 58370719 DACAISMDGAAWAC-UHFFFAOYSA-N 371.893 5.236 0 40 FKAB CC1=CC(Nc2ccc(C)cc2)=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C1 66088811 AWCMYKYAJVGFRH-OAQYLSRUSA-N 361.485 5.746 0 40 FKAB CC(C)Sc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72217477 MRNYDOMJDIHFQM-GOSISDBHSA-N 356.491 5.056 0 40 FKAB COc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)ccc1O 103930111 WPBNWMCMRZJJMA-OAQYLSRUSA-N 364.445 5.272 0 40 FKAB Cc1ccnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c1 223996193 XCXUDHBJSLMNDK-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964414 PVBMSUWJWJRDLV-UHFFFAOYSA-N 368.864 5.438 0 40 FKAB Cc1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225676955 TVKDIPWSWUKCSZ-SFHVURJKSA-N 354.519 5.201 0 40 FKAB CC(=O)N[C@]1(C)C[C@H](c2cccc3ccccc23)O[C@@H]2C[C@H](C)CC[C@H]21 257307856 TUKBRKLMHZTCCQ-ZSNNFYQVSA-N 351.490 5.001 0 40 FKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238290 CLPGKLFDFQUHLE-YJVYEJQWSA-N 360.538 5.166 0 40 FKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1 724736 BIJUJSGOIZAEOA-UHFFFAOYSA-N 366.848 5.484 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 1095889 IPGYZBTUARSXDU-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB COc1ccc(-c2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cc1 1387111 RDAHMURRZFZSSN-UHFFFAOYSA-N 366.364 5.056 0 40 FKAB CCN(CC)C(=O)/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 3205901 GXLXPUHXFMWLGM-HKOYGPOVSA-N 373.471 5.902 0 40 FKAB CC(C)(C)N1C[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 4127698 XMFSKUXGHWGRAM-RPWUZVMVSA-N 369.508 6.008 0 40 FKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc4ccccc24)N3)C1 4545481 ILAJTFROHWFNHI-RNODOKPDSA-N 362.498 5.845 0 40 FKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C(C)=C/c2ccccc2)N3)C1 4545520 FNLHBVZAPGMZFA-VGBYHEHXSA-N 352.503 5.423 0 40 FKAB Cc1ccc(CSCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 4545823 IUUDMAWDKLFOKH-SDNWHVSQSA-N 367.558 5.355 0 40 FKAB CSc1ccc(-c2nc3ncccn3c2Nc2cc(C)ccc2C)cc1 4734237 FTIRFQJHQTYNDD-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1 4950006 NHKLBBNLRTZWKY-NRFANRHFSA-N 350.824 5.835 0 40 FKAB CC(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)C[C@]4(C)[C@@H]3CC[C@]12C 5104385 WRNWDURPUAFISP-RCMQCQNASA-N 358.610 6.897 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 5379931 RRGLBVQYKBDKQO-UHFFFAOYSA-N 361.938 5.301 0 40 FKAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1F 5689700 FSSKACROCFAFAE-OAHLLOKOSA-N 350.393 5.057 0 40 FKAB CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(F)cc1)=N2 6190905 XSLGAHHDFWBYJM-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB Cc1cccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1C 6334207 WCCJPTNOMAKEOP-UHFFFAOYSA-N 356.494 6.838 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3cc(Cl)ccc3Cl)nc12 7348873 CGXFYUHFBSJNOQ-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB CCOCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 8253164 JLBBKZFVSRUFKM-UHFFFAOYSA-N 368.304 5.089 0 40 FKAB Cc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 8743294 CNIRDDGTTWUPGT-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(Oc2ccccc2)cc1 10881509 UZUXIMKKKZVJBW-UHFFFAOYSA-N 363.417 5.162 0 40 FKAB Fc1ccc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)cc1 12251618 GYPLKGULGFXGHX-UHFFFAOYSA-N 362.433 5.018 0 40 FKAB O=C1C[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)c2sccc2N1 12428712 FAGNKRMYFJXJBC-KRWDZBQOSA-N 369.873 5.455 0 40 FKAB Clc1cc2nc(-c3ccsc3)n(Cc3ccsc3)c2cc1Cl 15922105 AATUUQBCJXFVMY-UHFFFAOYSA-N 365.310 6.181 0 40 FKAB Cc1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccc(Cl)cc2)cc1 16292135 OYHQLWZUHYIZSP-NRFANRHFSA-N 367.851 6.214 0 40 FKAB COc1ccccc1-c1nnc(SCc2cccc(C(F)(F)F)c2)o1 21607615 VZMQKDHERWXKEX-UHFFFAOYSA-N 366.364 5.056 0 40 FKAB Cc1noc(C)c1CSc1nc(-c2ccsc2)nc2ccccc12 24094175 MYLYLEXPTJVWGG-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB Fc1cccc(-c2nc(CSC3=Nc4ccccc4CS3)co2)c1 26112974 VJSPAYZYORPCDV-UHFFFAOYSA-N 356.447 5.648 0 40 FKAB C[C@@H]1CCCCN1c1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 28287200 JKHUYBIPRACYAE-MRXNPFEDSA-N 370.456 5.331 0 40 FKAB C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1 30545619 DGJINWLLOGLFFH-QGZVFWFLSA-N 358.441 5.258 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4ccccc4Cl)no3)n2)cc1 33298258 UUSABBCLHWGBLP-UHFFFAOYSA-N 367.861 5.413 0 40 FKAB CCCCc1ccc2nc(Nc3nc4cc(OC)ccc4o3)sc2c1 57352895 CZQYKVLUGPNSND-UHFFFAOYSA-N 353.447 5.532 0 40 FKAB Fc1ccc(Cl)cc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760945 MJSNIRKAVVTQLK-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 71844316 PJRFFRWOPQMPKG-OFNKIYASSA-N 373.500 5.045 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)NC(c1ccccc1)c1ccccc1 216482522 QGEYIUGMMQYWNS-NRFANRHFSA-N 359.469 5.058 0 40 FKAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2ccccc2)cc1 216950739 LJZGOICPHKMJDT-UHFFFAOYSA-N 355.393 5.003 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc2c(c1)CCCC2 223085940 CTIJFJQKHJOSLI-FOIQADDNSA-N 371.908 5.254 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 223439543 ZPTHVWDQZDIGLO-QGZVFWFLSA-N 362.498 5.100 0 40 FKAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 859797 VWTWLCLEOPGUCW-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc(C)c1C 994806 PQMPDBVOLYTILH-UHFFFAOYSA-N 372.273 5.101 0 40 FKAB O=C(c1cccs1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1423119 JOGMEFBAQQJZHV-UHFFFAOYSA-N 351.858 5.636 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)nc2c1 1505849 PPMOORGXLHZFOR-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB CCCc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 2109180 SXWWKRHNMJFWBE-OAHLLOKOSA-N 359.897 5.327 0 40 FKAB OC1=N[C@@H](c2c(Cl)[nH]c3ccccc23)Nc2sc3c(c21)CCCC3 2492844 RZPBKRHDOJRQPO-MRXNPFEDSA-N 357.866 5.191 0 40 FKAB FC(F)(F)c1cc(-c2cccs2)nc2c1cnn2C1CCCCC1 2639180 UPNWBXQCBUMTAK-UHFFFAOYSA-N 351.397 5.684 0 40 FKAB CCC(=O)Nc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 3077631 JMDOJFXIBNTVND-UHFFFAOYSA-N 356.510 5.143 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)C4(C)CCCC4)cc3)sc2c1 3215053 LZPKQEZXIIYJFJ-UHFFFAOYSA-N 350.487 5.791 0 40 FKAB Cc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1Cl 3218921 BZLLKUYAPGMCIE-UHFFFAOYSA-N 350.849 5.328 0 40 FKAB COc1cc(CNC2CCCCC2)cc(Cl)c1OCc1cccs1 3905157 BVVYAYTTXBNTQA-UHFFFAOYSA-N 365.926 5.411 0 40 FKAB CCCCSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1 4126146 QDQYKOZJGOUIRZ-UHFFFAOYSA-N 359.882 5.186 0 40 FKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(C)CC2)cc1 4282018 PWCXADYVWDUXAJ-FCRSDJTPSA-N 362.473 5.145 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(/C(C)=N\O)=CC[C@H]32)C1 4712974 RXZQACCASWKYSX-XHCPZNBRSA-N 373.537 5.347 0 40 FKAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccc(C)o3)C[C@H]21 4715956 UYMSOSJLBQCYHU-LYNDWLEASA-N 366.461 5.047 0 40 FKAB COc1ccc([C@H]2CC(c3cccs3)=Nc3nc4ccccc4n32)cc1 4864790 JDZBOINREQQQCG-LJQANCHMSA-N 359.454 5.220 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc23)cc1 4970032 AASVYRYAWQNKCA-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB Cc1csc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 5101405 IAIUBCRBFFFHLA-INIZCTEOSA-N 358.463 5.063 0 40 FKAB CCSc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 5241508 GJPZDPKGXXMCPD-UHFFFAOYSA-N 370.499 5.183 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccc(Cl)cc2)(CCC(C)C)CCO1 5297402 CVNUMWUDLRWDOU-YADHBBJMSA-N 365.989 6.221 0 40 FKAB CCCC(CNC(=S)Nc1ccccc1)(c1ccccc1)c1ccccc1 5499147 MGCYSQKKWJLLLO-UHFFFAOYSA-N 374.553 5.759 0 40 FKAB CC1=C(C)C[C@@H](C(=O)NC2CCCCCCCCCCC2)[C@H](C(=O)O)C1 5523270 JERUTSOCPMTFCI-WOJBJXKFSA-N 363.542 5.223 0 40 FKAB CCc1ccc2c(c1)sc1nc(-c3ccc(Br)s3)cn12 6294660 SYTHDZIASLFNHV-UHFFFAOYSA-N 363.305 5.602 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1ccccc1)c1ccccc1 12436856 JRUKDLDAJZKDIP-TXDLGXNGSA-N 371.461 6.095 0 40 FKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)c1 14018433 DUWXUQOOBFPVBO-UHFFFAOYSA-N 361.510 6.324 0 40 FKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 14401655 KPMRPESMQXRVRP-OAHLLOKOSA-N 351.377 5.024 0 40 FKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(F)c1 17075013 IWVQLOBQEVWXBC-UHFFFAOYSA-N 365.187 5.750 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20036901 DMGXWXJAUNOFCS-FGZHOGPDSA-N 369.505 5.065 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 20105267 FDHAYDOYOFSUBV-KRWDZBQOSA-N 374.267 5.943 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)cc1Cl 20672006 SGVNKFBTVXRDFI-CYBMUJFWSA-N 365.864 5.343 0 40 FKAB Oc1ccc(OCCCCCCCCCCOc2ccc(O)cc2)cc1 21300002 HNAJEYZSISWHLH-UHFFFAOYSA-N 358.478 5.676 0 40 FKAB Cc1c(-c2nc(-c3ccccc3Cl)cs2)nnn1-c1ccc(F)cc1 38486825 XMQOEVMAKBZXJB-UHFFFAOYSA-N 370.840 5.159 0 40 FKAB Cc1csc(N(C(=O)CCc2ccc(Cl)s2)c2ccccc2)n1 40140452 PJNPPQIOPPZCOU-UHFFFAOYSA-N 362.907 5.464 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 44900426 DUHQWRQPGXTURC-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 59351814 TVGJMYBLXHIGEF-FCHUYYIVSA-N 367.533 5.717 0 40 FKAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 102027772 HLZNOJRSHYTLRA-SHXKMVCASA-N 353.849 5.335 0 40 FKAB O=C(CSC1CCCC1)N1CCS[C@@H](c2ccccc2Cl)CC1 206990475 JAYAUURGWSXVPY-QGZVFWFLSA-N 369.983 5.022 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219593026 JBHGNZGCEFMAMK-FCHUYYIVSA-N 369.505 5.065 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2O1 223507546 RUDAEZOSETTYSK-VQIMIIECSA-N 369.530 5.366 0 40 FKAB CC(C)Oc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225375132 LAASCBXMUJCALO-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225718217 IGKFCAMJNZOOLM-OPAMFIHVSA-N 361.526 5.406 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c2ccccc12 225833761 GWOUWIVKAQZEEG-SBUREZEXSA-N 369.505 5.553 0 40 FKAB Clc1cccc(COc2ccccc2-c2nc3ccccc3s2)c1 409195009 SDXNYNGWHBRRSJ-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB C[Si](C)(C)C1=C[C@@H](NCc2ccccc2)n2c(nc3ccccc32)S1 675010769 XSGYNNZOLWUPBV-SFHVURJKSA-N 365.578 5.192 0 40 FKAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)cc(C)cc2C)c1 669207 PXMPZBUWXRLUKC-HSZRJFAPSA-N 356.469 5.691 0 40 FKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 743592 PWMQHXRPQBEKTR-UHFFFAOYSA-N 365.448 5.559 0 40 FKAB COc1ccc2ccc3c(c2c1)N=C[C@]1(O3)N(C)c2ccccc2C1(C)C 825622 GPNTUDAYHULMHB-HSZRJFAPSA-N 358.441 5.067 0 40 FKAB aggregator O=c1oc2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccccc1Cl 2576881 VRKVGHPJYVDCKX-UHFFFAOYSA-N 367.231 6.434 0 40 FKAB biogenic Cc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1C 3090414 DGFSDRLKOBCTCO-UHFFFAOYSA-N 356.494 6.838 0 40 FKAB CCCCC(=O)OCC1(COC(=O)CCCC)[C@H](C)C=C(C)C[C@H]1C 4023596 XDMBDIBUEQTDBG-QZTJIDSGSA-N 352.515 5.062 0 40 FKAB biogenic C1=C2C3=C(O[C@H](c4ccccc4)[C@@H]2CCC1)/C(=C/c1ccccc1)CCC3 4024420 GTCWXHKGVTZFCQ-XOKFQYIWSA-N 354.493 7.006 0 40 FKAB biogenic Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1 5198877 ONUXYYWKWPSGHA-RDTXWAMCSA-N 354.519 5.062 0 40 FKAB Cc1ccc2c(CN(C)Cc3ccc(Cl)cc3Cl)cc(=O)oc2c1 6625478 POSCGQCPAOIWGI-UHFFFAOYSA-N 362.256 5.040 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 6940318 JNUFVSWOAYOFOT-SFHVURJKSA-N 366.505 5.208 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1cccc3ccccc13)CC2 7157117 LDEWNARIPXMOHU-SAPNQHFASA-N 351.405 5.573 0 40 FKAB CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1 8254662 YWWRYRQZGSTYKX-LJQANCHMSA-N 361.485 5.515 0 40 FKAB Cc1csc(SCc2c(C(=O)N[C@@H](C)C3CC3)oc3ccccc23)n1 8429779 MOTXUIFDJHPIJE-LBPRGKRZSA-N 372.515 5.018 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Cl)c(Cl)c1 8723300 UNUMHUFXCPGSDM-UHFFFAOYSA-N 360.240 5.798 0 40 FKAB Clc1ccccc1-c1n[nH]c(SCc2c(Cl)cccc2Cl)n1 9198397 RUZWIEKDHKKGGP-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9421443 GKSDMEYZAHTWQE-JOCHJYFZSA-N 367.452 5.207 0 40 FKAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4cccc(C)c4)ccc3C(=O)O2)cc1 12274531 UGYUGQRSTZDQNX-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12746796 FFRMGAIKBNJHPO-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1O 12907355 MWZLMUYRCCLKLR-UHFFFAOYSA-N 374.415 5.251 0 40 FKAB Fc1cccc(-n2nc(-c3ccccc3)c3cnc4c(F)cccc4c32)c1 21017502 MTXZHPYRIGUVMB-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB COc1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1Cl 22107326 WCNSVYIRXYLFNZ-UHFFFAOYSA-N 359.828 5.080 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 23010994 SMWLKPPBEVSSGV-UHFFFAOYSA-N 365.820 5.236 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2C(F)(F)F)cc1 40145527 PAZPLVGRKUEKOD-UHFFFAOYSA-N 367.367 5.145 0 40 FKAB Cc1ccc2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c2c1 64549257 KYSPZSBIINNOEV-UHFFFAOYSA-N 374.281 6.640 0 40 FKAB CCc1ccccc1NC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 67339986 HSSKIYLNAOZGON-CMDGGOBGSA-N 355.821 5.309 0 40 FKAB CCCCNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213688 ZACRTILONHFJAP-FQEVSTJZSA-N 367.493 5.157 0 40 FKAB CC(C)(C)OP(=O)(Cc1ccc(Br)cc1)OC(C)(C)C 90372321 HSZRXHSJWXZFFC-UHFFFAOYSA-N 363.232 5.772 0 40 FKAB COc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1O 100654209 AKWKARWWPOPPFS-OAQYLSRUSA-N 364.445 5.272 0 40 FKAB Fc1ccc([C@H]2C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1 101218753 QNLCNRIJDAJCIB-TZIWHRDSSA-N 361.395 5.461 0 40 FKAB Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@@H]2CCC[C@H](C)[C@@H]2C)c(F)c1 199406289 MHHRKMAVONKKHN-FRMGNDQPSA-N 366.480 5.525 0 40 FKAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Sc1ccc(Cl)cc1 225095146 CTIQUTTXRLGEOP-AWEZNQCLSA-N 360.784 5.147 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cn1 225867545 FBZGYTPYHBGJQA-UHFFFAOYSA-N 370.468 5.240 0 40 FKAB CCCOc1ccc(CNc2ccc(Br)cc2C)cc1Cl 408605507 HKTCDKKUNIZKPU-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(OC)cc1 408832134 RIEPQVTYWONNIV-UHFFFAOYSA-N 370.449 5.163 0 40 FKAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3C)nc2c1 924405 QWYFOHBADMTARO-UHFFFAOYSA-N 350.487 5.199 0 40 FKAB FC(F)c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 1413617 PSGCEPFPJBDFTD-UHFFFAOYSA-N 353.397 5.600 0 40 FKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4cccc(OC)c4)coc3c12 2096060 LHOJNSWTWSXIPJ-UHFFFAOYSA-N 362.425 5.866 0 40 FKAB biogenic CC(C)(C)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1 2301294 OLXOLVYQVBTBCZ-UHFFFAOYSA-N 355.441 5.782 0 40 FKAB CCC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1 2358503 WLMNXMYXPXFUTG-NRFANRHFSA-N 371.521 5.635 0 40 FKAB biogenic CC(C)(C)c1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 2449230 GJHAPJSLTQOBKF-YVIRBKRRSA-N 374.528 5.852 0 40 FKAB Cc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C(C)C)cc1Cl 3451777 DTKHNTFNAIBZOL-UHFFFAOYSA-N 374.893 5.399 0 40 FKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2 4072200 UHGSGLFJIGJODZ-UHFFFAOYSA-N 373.909 5.013 0 40 FKAB CC(C)(C)c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)cc1 4106897 LMDWFPUHMFADHI-UHFFFAOYSA-N 354.453 6.387 0 40 FKAB CCCCCC[C@H]1CCCCN1[C@@H](c1ccccc1)[C@H](O)c1ccccc1 4783043 UPRLEOWAUPIIKX-CCDWMCETSA-N 365.561 6.286 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4897676 QDDFACYMTXCMLZ-XZOQPEGZSA-N 355.497 5.223 0 40 FKAB C/C(=C/c1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)[C@@H](O)CC2(C)C 5179020 AILNZJCWRAWPSD-FPIZWNAKSA-N 350.502 5.059 0 40 FKAB O=C(CCCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 6092801 ZNOLNAPJKOYTHY-UHFFFAOYSA-N 357.856 5.231 0 40 FKAB world COc1ccc(C)cc1Nc1ncnc2scc(-c3ccc(C)cc3)c12 6267176 BPRBSLCUIPUPGQ-UHFFFAOYSA-N 361.470 5.727 0 40 FKAB Cc1ccc(C)c(NC(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)c1 6486901 QCVBTXJSRSOFTG-QFIPXVFZSA-N 366.505 5.204 0 40 FKAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)Nc1cccc2ccccc12 6942779 OVBAAQGULXBCGZ-UHFFFAOYSA-N 365.742 5.551 0 40 FKAB Cc1c(-c2cccs2)nc2ccc(Cl)cc2c1-c1ccccc1F 7847829 APPUFJAGUSWURH-UHFFFAOYSA-N 353.849 6.731 0 40 FKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12403991 HTEDHDXDXIPNOV-ILBGXUMGSA-N 368.480 6.052 0 40 FKAB Cc1ccc(NC(=O)c2sc(=S)n(C3CCCCC3)c2N)cc1C 13547273 NLXCLQIRLSGAFX-UHFFFAOYSA-N 361.536 5.236 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1Cl 13708283 YVBPSFXVKHJIAS-ZDUSSCGKSA-N 374.267 5.230 0 40 FKAB Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 19898739 PVCVVUAETQPWBU-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1C 19931614 UDRORSKHSMEBOM-IBGZPJMESA-N 353.849 5.598 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20145143 WGQQXVCMVQZZAD-LHHJGKSTSA-N 361.441 5.214 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)o1 22076859 QFPMDQLNKKZKMA-QVKFZJNVSA-N 355.865 5.120 0 40 FKAB CC(C)(C)c1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 28539638 CIKRIUQFSCLAPL-UHFFFAOYSA-N 368.864 5.203 0 40 FKAB CCCCCCOP(=O)(CC(=O)N(CC)CC)OCCCCCC 39319500 MSULAAVSYZOTHM-UHFFFAOYSA-N 363.479 5.242 0 40 FKAB in-vitro FC(F)(F)c1cc(Cl)nc(Nc2ccc(Oc3ccccc3)cc2)n1 71422936 GBRHLMIVIRCVFR-UHFFFAOYSA-N 365.742 5.685 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccncc1Cl 72939602 ILEYHJHXSBALPW-FQEVSTJZSA-N 362.816 5.001 0 40 FKAB CCc1cccc(C)c1NC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 83827666 VJHHQWNHWLRERW-XMSQKQJNSA-N 350.506 5.871 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C 219006385 AQYAOULKBSDEPW-HXUWFJFHSA-N 357.497 5.580 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C 223503323 HBHKFGSEKGZVGN-HNNXBMFYSA-N 364.316 5.729 0 40 FKAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1Cl 224290286 YNRQWLCVPYGNNY-UHFFFAOYSA-N 372.787 5.014 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 225502768 GAMUNCXDLJKJSY-QHCPKHFHSA-N 374.553 6.194 0 40 FKAB CCc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225673332 WYWOQPFKIOHSBG-GOSISDBHSA-N 354.519 5.146 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1C 225758827 PHKCOXYBNCBBSY-NRFANRHFSA-N 368.546 5.754 0 40 FKAB C[C@H](CC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)CC(C)(C)C 575361282 WJVBVFSMZIVFKQ-SNVBAGLBSA-N 354.334 6.369 0 40 FKAB O=C(c1ccccc1F)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443050 NWTHMIFUPNYLSS-UHFFFAOYSA-N 372.403 5.198 0 40 FKAB Brc1ccc([C@@H](c2c[nH]c3ccccc23)N2CCCC2)cc1 1775971231 POZZOFXHOGJZCV-IBGZPJMESA-N 355.279 5.116 0 40 FKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1 998610 VTOBSCOKMGDEHY-AWEZNQCLSA-N 366.486 5.585 0 40 FKAB FC(F)(F)c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 1384089 QGGSRZMJYZGXPE-UHFFFAOYSA-N 371.387 5.682 0 40 FKAB CCN(CC)CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1599511 RZAGKPGSXHKXRG-UHFFFAOYSA-N 365.515 5.674 0 40 FKAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1 2302146 BIMIBHCVIWWKLE-UHFFFAOYSA-N 374.443 5.720 0 40 FKAB O=C(NCc1ccc(Cl)cc1)C(Cl)(c1ccccc1)c1ccccc1 2735765 VRCAHVKEAXJHOZ-UHFFFAOYSA-N 370.279 5.139 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1C 3058328 REYJZSZTFAAGFA-NSQNTRMNSA-N 353.465 5.539 0 40 FKAB O=P1(Nc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205246 VVMCRRGRNVRCLP-UHFFFAOYSA-N 359.365 6.404 0 40 FKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(C(F)(F)F)cc1 3227514 CFYXXONMMNOLKD-UHFFFAOYSA-N 368.405 5.046 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1 3282344 FHOOTVPEUXIOIA-UHFFFAOYSA-N 364.253 5.474 0 40 FKAB Cc1ccc(/C=C/c2ccc(=O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 4060013 BKXPUTYYIUZYNO-SDNWHVSQSA-N 358.485 5.068 0 40 FKAB Fc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)cc1 4377317 MDRUPUOMLFCZJM-NRFANRHFSA-N 367.876 6.837 0 40 FKAB CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC 5511795 GQIDSVPVVYHXAP-UHFFFAOYSA-N 370.574 6.354 0 40 FKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)cc1 6661499 PZUOBLKSGDAPEI-UHFFFAOYSA-N 373.408 5.221 0 40 FKAB biogenic CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1coc3ccc4ccccc4c13)C2 6763599 MSKTWIRSGRAZTP-PWAGRJGVSA-N 361.485 5.460 0 40 FKAB COc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7279175 YOIBBPVMOOZEJR-JOCHJYFZSA-N 356.425 5.213 0 40 FKAB COc1ccc(CCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 7668645 YUBNOHHYNZMDIF-UHFFFAOYSA-N 369.505 5.522 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 7668713 GQHQYFVQAHCHCG-UHFFFAOYSA-N 357.759 5.400 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)c(Cl)c1 7706137 ZXEORXVNEMAVSC-SNVBAGLBSA-N 365.285 5.436 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)Nc2cccc(Cl)c2)cc1 8586723 TZJYJLHLBUDUQR-UHFFFAOYSA-N 356.878 5.949 0 40 FKAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9157741 GBRWCSSIDHSJCJ-LJQANCHMSA-N 373.481 5.064 0 40 FKAB Cc1cc(-c2cc(C(=O)Nc3ccccc3)c3c(C)noc3n2)c(C)s1 12802155 VGFZCGZBXLWYRO-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 14129262 LOZQESYVARZCDP-SIFUEBAJSA-N 354.500 5.043 0 40 FKAB Cc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NN=NN32)cc1 16996451 AASLBRDFAUYYTK-JOCHJYFZSA-N 365.440 5.301 0 40 FKAB COc1ccc2c(c1)Cc1sc(Nc3cccc(C(F)(F)F)c3)nc1-2 19894582 ULUAZBHOZOHEGR-UHFFFAOYSA-N 362.376 5.485 0 40 FKAB Cc1cc2nc(-c3cc(N)ccc3Cl)oc2c(Br)c1C 20156856 ZPEBFXPUOHLIOJ-UHFFFAOYSA-N 351.631 5.110 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1Cl 30863350 NRAJZKQEYMMNKP-OAHLLOKOSA-N 352.261 5.406 0 40 FKAB C[C@H](Sc1ccc(Br)cc1)c1nc(-c2cccs2)no1 40071063 VDKGXHPPIDIAQO-VIFPVBQESA-N 367.293 5.414 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2[nH]c3ccccc3c2c1 44781937 VALAWKNTBNBJQU-UHFFFAOYSA-N 350.805 5.235 0 40 FKAB Nc1ccc2nc(-c3cc(Cl)c(Br)c(Cl)c3)oc2c1 45919877 ZOECPBOXCFUHFT-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C(=O)O 83314655 CAOQRBMKUULMGN-AWZVLNPTSA-N 354.534 7.105 0 40 FKAB in-vitro Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 95067936 FOJIGFACBKPEKP-UHFFFAOYSA-N 373.172 5.420 0 40 FKAB COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 100902529 SOLFGTIEYURABM-NXRJPMIISA-N 361.557 5.467 0 40 FKAB Clc1cccc(Cl)c1-c1nc2ccnc(Br)c2s1 114602636 HTCYWAFCOTZBLQ-UHFFFAOYSA-N 360.063 5.428 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc2ccccc2c1 222796422 IDLRUDVEECWBOI-QHCPKHFHSA-N 369.464 5.467 0 40 FKAB O=C(CSCc1ccccc1Cl)NCc1cccc2ccccc12 222827448 GQBKHGRZBCTAME-UHFFFAOYSA-N 355.890 5.043 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3c(Cl)cccc3Cl)cc2c1 223137642 GIBRSYYBANGOJJ-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB CCCOCc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC 224704843 VURJUVLLOGDUII-UHFFFAOYSA-N 355.478 5.388 0 40 FKAB Cc1ccc(SCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225285957 JEQYMMWBOQNKGO-UHFFFAOYSA-N 350.940 5.036 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NCC[C@]4(C)[C@H]3CC[C@]12C 252462410 SAWPPQLIWVGNDH-SIMQSIEHSA-N 359.642 6.670 0 40 FKAB biogenic CCCc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc1 648456 UUPORZJHYQPXQN-UHFFFAOYSA-N 373.481 5.563 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 682305 SXWPEXHOKABXTP-UHFFFAOYSA-N 370.279 6.154 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3nc4ccccc4s3)sc2c1 1469877 BRKSMECSHNTCFZ-UHFFFAOYSA-N 374.874 5.425 0 40 FKAB O=P(Nc1ccc(Cl)cn1)(Oc1ccccc1)Oc1ccccc1 2022044 YWLXMOJGVSVCEI-UHFFFAOYSA-N 360.737 5.413 0 40 FKAB CC(C)CCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 2344943 JUFBFKYCJQYJMX-UHFFFAOYSA-N 350.853 5.346 0 40 FKAB CCc1ccc(C(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1 2410298 LMJYHDCGOYJBNO-UHFFFAOYSA-N 362.454 5.222 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 2500071 FYIRHTIKLKAZCH-OALUTQOASA-N 352.869 5.201 0 40 FKAB CCN(CC)c1ccc2cc(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 2510886 XNFPHCVWLTZYKH-UHFFFAOYSA-N 362.256 5.613 0 40 FKAB biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccccc2)cc1 2641191 XEINRQUSGHBJKD-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB aggregator C[C@@H]1CCc2sc(C(=O)OCc3csc(-c4ccccc4)n3)cc2C1 2660626 OUIDYTYXSVIEMZ-CYBMUJFWSA-N 369.511 5.353 0 40 FKAB Cc1c(NC(=O)c2ccccc2F)cccc1-c1nc2cccnc2s1 2961567 VVSXGHFVKXDKOK-UHFFFAOYSA-N 363.417 5.058 0 40 FKAB Cc1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 3205469 RGMOQFSSVNFKNZ-UHFFFAOYSA-N 373.392 6.712 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(Oc2ccccc2)c1 3300428 WJXNHXDZWXKWSS-UHFFFAOYSA-N 372.468 5.722 0 40 FKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)s1 3911571 KMDWXDQUHJXZIR-UHFFFAOYSA-N 353.878 6.077 0 40 FKAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3cccc(Cl)c3)o1)N2 4501991 QZTIAMHNQGGGLW-INIZCTEOSA-N 358.850 5.132 0 40 FKAB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O[C@@H](C)CC 6356034 SVBHNDOIIGYCQU-DABDWFRDSA-N 354.471 5.592 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2)c(C)c1 6964980 LQLPJUKEBYIUAD-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1cccc2ccccc12 9910827 YGOWYIUBQUEOHY-UHFFFAOYSA-N 355.890 6.004 0 40 FKAB Cc1cc(NC(=O)[C@H](SCc2cccc(Cl)c2)c2ccccc2)no1 10275570 KXHHPSOPLMMMEJ-GOSISDBHSA-N 372.877 5.250 0 40 FKAB CCOc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 13632261 PAUOJOKZJPJXKF-UHFFFAOYSA-N 370.301 5.264 0 40 FKAB O=C(Nc1ccc(F)c(F)c1F)c1cc2c(s1)-c1ccccc1CC2 15001485 FBKSETBBPINSSE-UHFFFAOYSA-N 359.372 5.183 0 40 FKAB CC(C)(C)c1ccc2c(c1)[C@]13CCCC[C@@H]1CCC[C@@]3(c1ccccc1)N2 17111907 ZWAUJSNPNCWELO-PBXQCXKZSA-N 359.557 6.917 0 40 FKAB OCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 35662692 WVOSAFLEIUIZTK-UHFFFAOYSA-N 352.044 5.372 0 40 FKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(Cl)cc1 59055605 UMTGIKXPLNNSRD-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1ccc(-c2csc3c(=O)n(Cc4ccc(C)cc4C)cnc23)cc1 64667620 ZUXNOQOMZYKCJA-UHFFFAOYSA-N 360.482 5.099 0 40 FKAB Cc1ccc(Nc2nc(C)c(C(=O)NC3CCC(C)CC3)s2)c(C)c1 71326595 HPHCCGXXHHLNDV-UHFFFAOYSA-N 357.523 5.120 0 40 FKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(C)nc(-c2ccncc2)n1 72280815 AZIBCNRCPOKMJF-SFTDATJTSA-N 358.489 5.010 0 40 FKAB O=C(c1cccc2ccccc12)N1CCS[C@@H](c2cccs2)CC1 219482542 WJRDITKWJQAULY-LJQANCHMSA-N 353.512 5.222 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 223033029 XBWZBDHBVCBPAX-LEWJYISDSA-N 373.924 5.690 0 40 FKAB CC(C)(C)NC(=S)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223883762 PWIAKMINRKMEIK-UHFFFAOYSA-N 350.491 5.063 0 40 FKAB Fc1cccc(C2=N[C@H](c3ccccc3)c3ccccc3-n3cccc32)c1 225374030 HJUSUPCNBYHSJU-HSZRJFAPSA-N 352.412 5.557 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 225766933 BWXZIJRLPQJIPO-HSZRJFAPSA-N 374.553 5.996 0 40 FKAB S=C(c1cccc(OCc2c(Cl)cccc2Cl)c1)N1CCCC1 408578289 XGDOSJVNSDGUCT-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1cccs1 689009 GXPVCRHLSMMESQ-UHFFFAOYSA-N 368.527 6.172 0 40 FKAB O=C(Cc1ccccc1)N(Cc1ccccc1)c1ccc2ccccc2c1 976586 ZAHJTZHCPLUUGY-UHFFFAOYSA-N 351.449 5.616 0 40 FKAB O=C(Nc1ccc(Br)cc1F)c1cc(Cl)ccc1Cl 1097935 QBKIKQNFSYWCDJ-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB CCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1 1248162 DTBCCBFWWGVCJG-NRFANRHFSA-N 365.448 5.380 0 40 FKAB Cn1nc(-c2ccccc2)c(-c2nc(-c3cccc(Cl)c3)no2)c1Cl 1389894 RSSVYLJLUGUVDK-UHFFFAOYSA-N 371.227 5.111 0 40 FKAB C[C@H](C(=O)Nc1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 2183244 GWQXFRWKUSTNOD-AWEZNQCLSA-N 353.824 5.888 0 40 FKAB CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1 2235277 HEAXMNAVFLIRER-OAHLLOKOSA-N 364.514 5.261 0 40 FKAB CCCCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 2690482 SRNTXYZPNPJXMY-UHFFFAOYSA-N 363.288 6.112 0 40 FKAB Clc1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 3087788 ZTHOZLAEFSQUDP-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB C[C@@H]1CCc2c(C(=O)Nc3nc(-c4ccccc4)cs3)csc2C1 3221606 SBHGCZPYTMYDHF-GFCCVEGCSA-N 354.500 5.249 0 40 FKAB C[C@H]1CSC(N(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1 3227230 ICPLIYAIWJUOBN-NSHDSACASA-N 365.285 5.132 0 40 FKAB COC[C@@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1cc(C)ccc1C 3355422 JFCGBHAFTMCWJW-DLTPIXJPSA-N 370.493 5.412 0 40 FKAB COc1ccc(C2=Nc3ccccc3S[C@@H]2c2nc3ccccc3[nH]2)cc1 4149299 UQDUOUFYIAYDJP-NRFANRHFSA-N 371.465 5.539 0 40 FKAB O=C(O[C@H](c1ccc(Cl)cc1)c1nccc2ccccc12)c1ccccc1 4321425 LECKNMNONXHEAV-JOCHJYFZSA-N 373.839 5.835 0 40 FKAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 4585701 CSHZFWPSUMPWLH-UHFFFAOYSA-N 358.463 5.314 0 40 FKAB COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1 5019730 DYWJDPDNJIOLKB-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(C)C)sc3c2)c1 5047246 DBELRDLQFWWEJX-UHFFFAOYSA-N 356.516 5.605 0 40 FKAB COc1ccc([C@H](CCNCc2ccc(F)cc2)c2ccc(F)cc2)cc1 5518086 WSPPSTYUUVYFNI-HSZRJFAPSA-N 367.439 5.285 0 40 FKAB Cc1cc(/C=C2\Sc3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1 5739679 QUFOZATVTORLPM-NDENLUEZSA-N 365.885 6.077 0 40 FKAB Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 5753562 QGSOLTXBLPFOIO-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 6215901 FFNOGDRZMQNSRX-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)c1 6248632 SDJADBZNPHVYGX-UHFFFAOYSA-N 372.399 5.302 0 40 FKAB CCCCOc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@H]21 6309800 UHCQYPKFXUYUOP-UZLBHIALSA-N 357.523 5.296 0 40 FKAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 6343299 YPBYFWARJAXVDL-HNNXBMFYSA-N 367.851 5.566 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc2ccccc2o1 7424822 UKHKDZJLWZOTNL-UHFFFAOYSA-N 353.381 5.228 0 40 FKAB CCOCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8253159 GLZRRXKLZYOZKP-UHFFFAOYSA-N 368.304 5.089 0 40 FKAB COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1C 8333973 BMPQVOJIZMAMLR-RCCKNPSSSA-N 355.437 5.531 0 40 FKAB Clc1cccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 8706344 ZWISDWIZYNDHEA-UHFFFAOYSA-N 362.845 5.326 0 40 FKAB CC[C@@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 13763724 HCVTXESBLPDBRY-KUWBRRTOSA-N 370.496 5.915 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 16212250 YXGSXCODFKJLBA-UHFFFAOYSA-N 366.511 6.010 0 40 FKAB Fc1ccc(CNCc2ccccc2OCc2ccccc2Cl)cc1 16449738 YAETVWXVPKCWGT-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB CN(C(=O)c1ccc(OCc2ccccc2Cl)cc1)C1CCCCC1 19934112 CGRXRDQVSCKFDI-UHFFFAOYSA-N 357.881 5.324 0 40 FKAB CC1=C(C)[C@@H](NC2CCCCCCCCCCC2)N(CCC(C)C)C1=O 20157647 HEFFFXUAQCILGO-QFIPXVFZSA-N 362.602 5.800 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)cc1Cl 21577800 NDMHBVGHMIVTJV-UHFFFAOYSA-N 367.251 5.375 0 40 FKAB CCc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245770 HWCXQEYRMYEJOZ-UHFFFAOYSA-N 355.438 5.149 0 40 FKAB CCc1sc(-c2nnc(CN3CCc4sccc4[C@H]3CC)o2)cc1C 23881617 KPTCEBBVUUHBNP-CQSZACIVSA-N 373.547 5.240 0 40 FKAB CCOC(=O)Nc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1 27061428 JESJNIXWPGLDSO-UHFFFAOYSA-N 358.850 5.699 0 40 FKAB Cc1cc(C)c2c(CC(=O)N3c4ccc(F)cc4CC[C@H]3C)coc2c1 27587308 LRNOARJKPSCFDH-OAHLLOKOSA-N 351.421 5.099 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 30854698 OAYNKQVHRRRZEX-OAHLLOKOSA-N 351.471 5.358 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cnc(-c2ccccc2)nc1 48308929 FKXMDKSSUQBHKY-UHFFFAOYSA-N 366.424 5.140 0 40 FKAB Cc1ccc2c(Nc3cccc(C(C)C)c3)c(C(=O)N3CCCC3)cnc2n1 49004641 VESQNZGUBROWJF-UHFFFAOYSA-N 374.488 5.041 0 40 FKAB CCCCCC(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462075 ADSBRJKQOQEZAO-UHFFFAOYSA-N 358.825 5.373 0 40 FKAB Cc1cccc(N(c2ccc(Br)cc2)c2cccc(C)c2)c1 89194945 WHBVFRPPFWBXEE-UHFFFAOYSA-N 352.275 6.536 0 40 FKAB CCCn1nc(C)c(-c2nc3cc(Br)ccc3n2C2CC2)c1C 89960645 NDACQRFVUOAJLO-UHFFFAOYSA-N 373.298 5.024 0 40 FKAB CC[C@H](C)[C@@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918404 RVIKYYISNDYLSJ-GXFFZTMASA-N 359.379 5.463 0 40 FKAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 101220581 YQZRUXTVMXMGLO-IFMALSPDSA-N 373.431 5.330 0 40 FKAB O=C1Nc2ccccc2[C@@]12C=C(c1ccc(F)cc1)Nc1ccccc1S2 101493983 MJBXTKRSIBYLFE-QFIPXVFZSA-N 374.440 5.232 0 40 FKAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222808409 ZRZSIFSOQKBPJZ-KRWDZBQOSA-N 353.506 5.364 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC(C)C)cc1 223435788 ZKSZILIGSYNNFI-JOCHJYFZSA-N 367.489 5.149 0 40 FKAB Cc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c1 223987683 WFICCDRZRMGTAT-UHFFFAOYSA-N 373.953 5.150 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225541008 ANBOYGXBDMSGGG-UHFFFAOYSA-N 351.490 5.461 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225658201 OBSHFQPZBLRPTH-QGZVFWFLSA-N 354.563 5.853 0 40 FKAB CCOc1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225660376 YIXCAXJNDDJXID-MRXNPFEDSA-N 356.535 5.128 0 40 FKAB CC(C)c1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1 226269899 NKSIHQKCFWKKHS-UHFFFAOYSA-N 362.351 5.143 0 40 FKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(Oc3ccccc3)cc1)OC2(C)C 257257112 KODDIFNVOUZOBE-VQRRFNJKSA-N 352.474 5.352 0 40 FKAB O=C(O)c1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1 408607229 JEPPZIPCLBVBOW-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(CC)cc2)cc1 408733613 MFSQPMPJIYYJLZ-QHCPKHFHSA-N 372.468 5.419 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1C 409113110 DNRJLVQJJXARKG-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2cc(C)ccc2C)cc1 409118164 ZBXOBNZQDFDYIV-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)o1 1307171 IPOLBBALHMLDKO-GHTZIAJQSA-N 364.832 5.484 0 40 FKAB Cc1ccc2c(c1)-c1nc(SCc3ccc(Cl)cc3)ncc1CS2 1403612 RQZOGHUXQBHBLB-UHFFFAOYSA-N 370.930 6.003 0 40 FKAB CCCCN(CC)c1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 1797691 IRXQPKHSHNXLMR-UHFFFAOYSA-N 368.550 5.307 0 40 FKAB Clc1ccc(C2=N[C@H](c3ccccc3)/C(=C\c3ccccc3)S2)cc1 1859141 CFYZAPUGOWEMDG-LSSXRZCCSA-N 361.897 6.616 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4ccc(F)cc4)c23)cc1 2366839 QZBXTAKWXGAHCD-UHFFFAOYSA-N 366.486 6.098 0 40 FKAB Cc1ccc(OP(=O)(NCc2ccccc2)Oc2ccc(C)cc2)cc1 2594415 PLLYGIBAVIZRLW-UHFFFAOYSA-N 367.385 5.659 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 3077550 RQNYQAQPXXMMQI-COPCDDAFSA-N 350.502 5.823 0 40 FKAB biogenic Cc1cc(C(C)(C)C)ccc1OC(=O)c1c2c(nc3ccccc13)CCC2 3400064 MTYXVZZIMYXLEF-UHFFFAOYSA-N 359.469 5.549 0 40 FKAB Cc1ccc(C)c(COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)c1 4340413 LFJGJMRVROIBEK-UHFFFAOYSA-N 370.448 5.964 0 40 FKAB biogenic COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4377763 IOLLDEUCCRXJPD-LADGPHEKSA-N 354.453 5.223 0 40 FKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(Cl)[nH]c4ccccc24)N3)C1 4571696 RQLYAEVVVRSYEF-HUTHGQBESA-N 371.893 5.437 0 40 FKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1F 4741157 UIBKTHISEOQNQX-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CC(C)c1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 4932758 KGGJWQPIYUYVDI-UHFFFAOYSA-N 363.457 5.453 0 40 FKAB CC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 5563249 VEABFLOWIVMCLR-PKOBYXMFSA-N 371.278 5.037 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc21 6248899 FBPMXHKORYYMEF-NTEUORMPSA-N 374.871 6.120 0 40 FKAB CCCCCC(=O)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 6264002 QAAHBKSXHYNREQ-INIZCTEOSA-N 364.489 6.527 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1 6264062 SVECUHWPHNBWAP-GOSISDBHSA-N 353.506 6.412 0 40 FKAB c1nc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccsc2n1 6345554 NXCCFDIUORIEKD-UHFFFAOYSA-N 361.514 5.903 0 40 FKAB CCc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(F)cc1)=N2 6844074 DHFXYLCHFATJTP-UHFFFAOYSA-N 357.432 5.130 0 40 FKAB CCc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(C)cs2)cc1 9341471 PLJUEOBFFLNCJI-KRWDZBQOSA-N 353.516 5.431 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(Cl)cccc1Cl 14396435 BWCCTOKERDFRRR-LBPRGKRZSA-N 366.288 5.697 0 40 FKAB CC(C)=C=C(c1ccccc1)[P@]1(=O)O[C@@H](c2ccccc2)[C@H](C)N1C 15083164 BPOMGMDTRYXISQ-QBFCQJJASA-N 353.402 5.878 0 40 FKAB CCCCC1CCC(C(=O)Nc2ccc(OCC)c3ncccc23)CC1 15840884 CVZXVOVIGKQUJV-UHFFFAOYSA-N 354.494 5.569 0 40 FKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 17074169 YGFHHPBFIUSSMZ-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN2Cc2cnc(C)s2)n1 19691913 NMZIGZFUBGNBIU-QFIPXVFZSA-N 363.530 5.083 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1 20493339 BNHAWYDUAQOVIK-UHFFFAOYSA-N 359.853 5.067 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 20977693 LMYWELBOWQXUFP-UHFFFAOYSA-N 370.452 6.146 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351546 AULJURUPYDADCT-GCJKJVERSA-N 367.533 5.636 0 40 FKAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H]1c2ccccc2Oc2ccc(C)cc21 103156936 LXHOFSNFCGZTLP-GOTSBHOMSA-N 368.436 5.272 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)cc2C)cc1 107577833 BKRGPPKTOIFGIT-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Cc1ccc(C(=O)c2cn(CCC[C@H](C)F)c3ccccc23)c2ccccc12 230602561 UIDBGAPPHLZBPM-SFHVURJKSA-N 373.471 6.472 0 40 FKAB in-vitro CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccccc1 408564124 YADQKYJXOASQEC-FCQUAONHSA-N 364.514 5.239 0 40 FKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409010431 DXKYJFLNLCQAHB-KWWJGWKXSA-N 373.499 5.574 0 40 FKAB COc1cc(CNc2ccccc2C)ccc1OCc1cccc(F)c1 409111319 HWGVHCIIFILXEB-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccccc2Cl)cc1 659203 ZNTJVKBVLDYWBU-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 723743 XXQQUFJDNPKJKC-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB Cc1cccc(NC(=O)c2sc3nc(C)cc(-c4ccccc4)c3c2N)c1 936157 MYUHHFPESACTQP-UHFFFAOYSA-N 373.481 5.415 0 40 FKAB Cc1ccc(NCn2nc(-c3ccccc3Cl)oc2=S)cc1Cl 1063104 WEXVWYKIUCKLQB-UHFFFAOYSA-N 366.273 5.557 0 40 FKAB FC(F)Oc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 1098060 HDLBOQNGCGXHID-IBGZPJMESA-N 371.408 6.239 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(OC)cc3)n2)cc1 1577894 ZYLQVINIAYLNIY-UHFFFAOYSA-N 367.448 6.100 0 40 FKAB biogenic Cc1ccc(C(C)C)cc1Oc1nc(-c2ccncc2)nc2ccccc12 2246878 BAJGHJVKSLIUKI-UHFFFAOYSA-N 355.441 5.916 0 40 FKAB Clc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 2288077 DRQSSQYBPLZPMA-UHFFFAOYSA-N 350.248 6.876 0 40 FKAB O=C(OCc1c(Cl)cccc1Cl)c1cccc(Oc2ccccc2)c1 3250058 LQGSITMKOGAVCR-UHFFFAOYSA-N 373.235 6.143 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Oc1ccccc1Cc1ccccc1 3250157 ZHRXQQBFENXENL-UHFFFAOYSA-N 371.263 5.732 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(Cl)cc1Cl 3279011 PEHAWIAESHIFLS-UHFFFAOYSA-N 370.279 5.519 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Oc1ccc2oc3ccccc3c2c1 3281725 CBSALQJJGQNMQR-UHFFFAOYSA-N 371.219 6.041 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 4180177 AHNBQTSQCTUIAZ-UHFFFAOYSA-N 351.789 5.500 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)CCCC2 4224274 SPQGVZZQYQJIOM-UHFFFAOYSA-N 352.434 5.080 0 40 FKAB CC(C)Cn1c(SCc2nnc(-c3ccccc3)o2)nc2ccccc21 4254768 KIRZTWLPIVTZEY-UHFFFAOYSA-N 364.474 5.035 0 40 FKAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1F 4690296 IZGWGYHGOJLFQI-XLIONFOSSA-N 368.408 5.269 0 40 FKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 4838551 PWHMDNFZAXOIEL-UHFFFAOYSA-N 358.397 5.146 0 40 FKAB C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)CCC2 5038055 IWZGLMBNDVYEIW-LLVKDONJSA-N 351.298 5.846 0 40 FKAB C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 5637857 LJDAGWZNXYIWPR-LBPRGKRZSA-N 374.918 5.583 0 40 FKAB CCCCN(C(=O)c1ccccc1)[C@H]1CCC(=O)c2[nH]c3ccccc3c21 5783551 GFESUKTUVVVHAM-IBGZPJMESA-N 360.457 5.128 0 40 FKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC(C)C)cc2)c1 6263857 KBFNEOIODPKWDC-UHFFFAOYSA-N 374.868 5.118 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 6554908 CHORUSAZLHUUCU-GOSISDBHSA-N 359.469 6.031 0 40 FKAB CC[C@]12CCC3=C(C1=CC[C@@H]2OC(C)=O)[C@H](C)Cc1cc(OC)ccc13 6934531 GIYSITPKERYJBK-ZGFCVWDJSA-N 352.474 5.093 0 40 FKAB CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccs1 7523797 LIZFQBGIELWORN-UHFFFAOYSA-N 371.477 5.155 0 40 FKAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc2ncsc2c1 7814884 RJINZOWXHGEBOF-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB O=C(c1cc2ccccc2[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 7947871 WZOVVEIIKPREQH-LJQANCHMSA-N 364.495 5.079 0 40 FKAB COc1ccc2cc(CN(C)C(=O)Cc3cccc4ccccc34)ccc2c1 8360799 RRBYGHMQMISZTK-UHFFFAOYSA-N 369.464 5.203 0 40 FKAB O=C(Cc1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 8772605 WKVIZZFJPPJETH-UHFFFAOYSA-N 369.386 5.154 0 40 FKAB Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1 9359084 XCDQUHZRANCXHU-SFHVURJKSA-N 357.457 5.058 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 12822618 VRJUAIFKLRMSFK-HNNXBMFYSA-N 365.502 5.319 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(O)c(CCCl)c1 12887995 XWQFMLAKFDXXMS-RMKNXTFCSA-N 370.807 5.469 0 40 FKAB COc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1OC(C)C 14426388 RTFWGADKOOVNNI-UHFFFAOYSA-N 361.869 5.313 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1Cl 14665275 TYNXZWLRUIEUOH-LBPRGKRZSA-N 366.288 5.697 0 40 FKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)oc2ccc(Cl)cc12 15833223 DZJUSLZUIPWROJ-SECBINFHSA-N 360.866 5.228 0 40 FKAB CCCc1nnc(-c2cc3ccccc3n2Cc2ccccc2Cl)o1 15881479 ZAYFXPDCQZRRKP-UHFFFAOYSA-N 351.837 5.346 0 40 FKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1cccc(C)c1 16349257 GPXJCRMAGMBTHC-LJQANCHMSA-N 361.485 5.433 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 21311853 MJPTYUDMPBDBJK-UHFFFAOYSA-N 351.368 5.155 0 40 FKAB Cc1cc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nc(C)n1 24568849 HMIUAIVBIXGUHV-QFIPXVFZSA-N 373.481 5.291 0 40 FKAB CCCn1c(NC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 27923667 PRTMOSYCNVZPGD-UHFFFAOYSA-N 362.355 5.109 0 40 FKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1[nH]c2ccccc2c1Cl 40144988 WAGUANPFKANNLY-UHFFFAOYSA-N 368.820 5.115 0 40 FKAB CC1(C)COC(CCCCC(=O)c2ccc(-c3ccccc3)cc2)OC1 43214506 KNCOUZQWWGULJS-UHFFFAOYSA-N 352.474 5.496 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC(C)C)c1ccccc1 44904219 SEAUTFUALNHONZ-RTBURBONSA-N 359.897 5.401 0 40 FKAB C[C@H](NC(=O)/C(=C/c1cccs1)c1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 110560819 WREBBBLIVDZORN-NBUZJNDQSA-N 357.544 5.291 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 222726370 SXYJQDPFKDVNKY-NSHDSACASA-N 372.292 5.243 0 40 FKAB CCc1ccc(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223380283 YQGVWOIZBJAVKM-KRWDZBQOSA-N 353.506 5.109 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522458 NNUXCVXXHOFSLB-UHFFFAOYSA-N 371.908 5.825 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2cccc(F)c2)c2ccccc2)c1 225699187 LYYFRYXOZULZCN-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1Cl 225769955 ATHHJRJFUMHNQV-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCOC(=O)c1c2c(cc3sc(C)c(C)[n+]13)-c1cccc3cccc-2c13 629049 WQTOALHKQQODPI-UHFFFAOYSA-N 360.458 5.081 0 40 FKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cc(Cl)ccc1OC 645463 DRUFPTILTGVHAK-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc12 936133 HDYZLQABXAUCSS-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc3ccccc3nc2s1 1399191 NIUUSGMAEZLUEH-UHFFFAOYSA-N 372.371 5.721 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)N5CCCCC5)(C4)C2)C3)cc1 1447070 VZVYDAPKBVAXFQ-TUUBTQOTSA-N 351.534 5.236 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc2ccccc12 1518102 MAPZOKWUCJDCEV-UHFFFAOYSA-N 363.420 5.635 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1C 2284943 NNIMMFMLWSMCCZ-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc(Cl)c(Cl)c1 2306019 SXWFWYNCGZBYEZ-OAHLLOKOSA-N 360.177 5.590 0 40 FKAB CCSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 2427867 DBZPKLLQDFTXTM-UHFFFAOYSA-N 364.495 5.814 0 40 FKAB CC(C)(C)c1ccc(Cn2c([C@H](O)c3ccccc3)nc3ccccc32)cc1 2441716 IWPNMELKAVEVIV-HSZRJFAPSA-N 370.496 5.464 0 40 FKAB CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2585142 XKXPCWMBABGNEF-KPKJPENVSA-N 363.379 5.436 0 40 FKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCCC1 2718345 LLOMUDUDEHIBJK-UHFFFAOYSA-N 364.514 5.330 0 40 FKAB O=C(Oc1cccc2ccccc12)c1cc(Br)ccc1Cl 3253567 WIMNQBNKGVQXSG-UHFFFAOYSA-N 361.622 5.475 0 40 FKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1 3417312 WGAOLDNZQHUNGK-LLVKDONJSA-N 368.285 5.315 0 40 FKAB CCC[C@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 3418651 PPQHQNWQPODOKF-IBGZPJMESA-N 359.498 6.312 0 40 FKAB CCC[C@@H]1CC[C@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 4000023 IESPCFYHXLJIEM-FQRUVTKNSA-N 372.556 5.973 0 40 FKAB biogenic CC[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 4358285 AOUWTGIEFIEWFQ-RSYZFUPGSA-N 371.524 5.719 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 6479743 XJODDUJPLDIAGJ-UHFFFAOYSA-N 374.480 6.091 0 40 FKAB FC(F)(F)c1nc(SCc2ccccc2Cl)nc2c1CCCC2 6528706 HXHZDHBPLNUCFB-UHFFFAOYSA-N 358.816 5.320 0 40 FKAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1 6558985 ZRKIWEVRUVFYFZ-GFCCVEGCSA-N 351.277 5.078 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 6711238 DMGUVPLBOJYWSA-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCCO2 7644381 HFPGMZMMTDTZOI-UHFFFAOYSA-N 373.452 5.009 0 40 FKAB COc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1OC(F)F 8321246 IOGISXOJCISETB-VMPITWQZSA-N 351.736 5.262 0 40 FKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)NC1CCCCC1 8381617 AWEOFMLQYKAQAM-UHFFFAOYSA-N 364.514 5.376 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1 8478784 SNZDXINSNPHEGZ-QGZVFWFLSA-N 363.482 5.552 0 40 FKAB CCc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3Cl)nc2c1 9141054 BZBATTAURVMNSL-UHFFFAOYSA-N 356.853 5.695 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1)C(C)(C)N2 12462552 NMHIBPAEPWKXDI-UZYVYHOESA-N 372.946 6.331 0 40 FKAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(OC)c1 13774815 ZNTFDADUKLKYJH-CQSZACIVSA-N 372.534 5.049 0 40 FKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(C)c1 14257946 VDKKPMFYKXYTOS-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB Clc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccco2)c1 17309681 YLUSYIRAIMSPBL-UHFFFAOYSA-N 363.848 5.076 0 40 FKAB c1cnc2cc([C@@H]3O[C@@H]4CCCC[C@@H]4c4cc5c(cc43)OCO5)ccc2c1 20436641 WQWAUEKHCKFPIR-LQNXUBFPSA-N 359.425 5.109 0 40 FKAB COc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258033 SSIWBBOQPPKYPR-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccccc1 22533215 PHFSTYNVGDGFSX-FDDCHVKYSA-N 361.485 5.511 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1Cl 27740331 OYYZOKFNWIXXOA-UHFFFAOYSA-N 359.853 5.696 0 40 FKAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)C2)cc1 38935571 SLGKACMLSKQDTL-QGZVFWFLSA-N 352.478 5.014 0 40 FKAB CCN(CC)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 57405862 XYEPEDKHKMXCML-UHFFFAOYSA-N 365.399 5.504 0 40 FKAB Clc1cccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)c1 67321875 YBFYHZXCGACFQG-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CCc1cccc(C)c1NC(=O)CN1Cc2ccccc2-c2ccccc2C1 70017331 GQMAWCROLLQFAB-UHFFFAOYSA-N 370.496 5.179 0 40 FKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccccc1Cl 72229855 OBTKHMPSEZFDNR-IBGZPJMESA-N 372.251 5.327 0 40 FKAB CC[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccc(F)cc1 77911136 NENADMRUTSNAEH-QGZVFWFLSA-N 354.454 5.058 0 40 FKAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2cccc(Oc3ccccc3)c2n1 78401766 ZTGAKVDIDYQWNS-UHFFFAOYSA-N 370.408 5.777 0 40 FKAB CCc1c(C)nc2ccccc2c1NC(=O)c1cc(Cl)sc1Cl 96006634 QVTRYSKTWILLBG-UHFFFAOYSA-N 365.285 5.726 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 225483902 OALLFXYSRYLNAN-INIZCTEOSA-N 352.425 5.452 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccccc1Cl)c1ccccc1 225502877 GCQAHUZMARKHNT-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408527935 DJGKGIXOFKISLN-UHFFFAOYSA-N 361.869 5.478 0 40 FKAB Cc1cn(C2CCCCC2)nc1NC(=O)N[C@@H](C)C1CCC(F)(F)CC1 654035987 GWLNKOWMUAABBC-AWEZNQCLSA-N 368.472 5.032 0 40 FKAB Ic1ccc(Oc2cccc(-c3ccccc3)c2)nc1 685937766 PZNVKQHDVHKCBK-UHFFFAOYSA-N 373.193 5.146 0 40 FKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 670934 HSAUPZFCIGAIDY-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB c1ccc(CSc2cccc3c(SCc4ccccc4)cccc23)cc1 2030433 XLTCVRPYLRNFCV-UHFFFAOYSA-N 372.558 7.424 0 40 FKAB CCCCc1nc2sc3c(SCCC)ncnc3c2c2c1CCCC2 2281380 KSWRPZGHWGBBJY-UHFFFAOYSA-N 371.575 5.963 0 40 FKAB Cc1ccc2oc(=O)cc(-c3oc4ccc(Br)cc4c3C)c2c1 2399631 ITAWXEUVSXIZTL-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic O=C(CCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 2516725 IKPCPUURSBGUGB-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(Cl)n1 2570435 ASXHNCPHDDTHAN-UHFFFAOYSA-N 350.127 5.051 0 40 FKAB Clc1ccccc1Nc1nc(-c2cccc(Br)c2)cs1 2571147 HSZVAXKRTLXRGZ-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB Cc1cccc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)c1 3058332 LRDPIQDNOGDQLU-OOEPIQFGSA-N 353.465 5.621 0 40 FKAB CCOC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1Cl 3416296 GXALPRPPFULVMW-UHFFFAOYSA-N 360.240 5.694 0 40 FKAB Cc1ccc(NC(=O)CSc2ccccc2Cl)c(Br)c1 3434469 KMQZMMLYHGVQTR-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 6249223 BEGIHPUPIVZTDH-UHFFFAOYSA-N 366.505 5.126 0 40 FKAB Cc1ccc(-c2csc(/C=C/c3ccc(OCCC(C)C)cc3)n2)cc1 6788625 GQUSQMKGZWSKNU-MDWZMJQESA-N 363.526 6.714 0 40 FKAB CCOc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(C)o3)cc2)cc1 7986367 UMLUHEFMPUCGJU-CCEZHUSRSA-N 363.413 5.431 0 40 FKAB CCc1ccc2oc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c2c1 8614028 YYMNHJSHVSCHKO-UHFFFAOYSA-N 363.442 5.074 0 40 FKAB Cc1cc(C)c2c(-c3oc4ccccc4c3NC(=O)C3CC3)cc(=O)oc2c1 11865170 ZHXVXIOVEPMVGZ-UHFFFAOYSA-N 373.408 5.172 0 40 FKAB biogenic Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(Cl)ccc1F 12993276 QGRXWBMBCPDNOA-UHFFFAOYSA-N 352.843 5.225 0 40 FKAB CCn1c(-c2nc3ccccc3nc2-c2ccccc2)nc2ccccc21 13759635 BEQPRKPGIULAFR-UHFFFAOYSA-N 350.425 5.333 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc2cccnc12 19169443 SHTYTTVYFRYONC-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20050318 NDBSMPAOSBQREV-TZIWHRDSSA-N 353.506 5.283 0 40 FKAB COc1cc(C(C)=O)ccc1OCc1csc(-c2ccccc2Cl)n1 21443914 NBNIMHULKINMEL-UHFFFAOYSA-N 373.861 5.254 0 40 FKAB CC(C)c1cc(Nc2ccc(Cl)cc2)n2ncc(-c3ccccc3)c2n1 27585232 NMEQPKVIMZBXGV-UHFFFAOYSA-N 362.864 5.917 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1C 27795775 KRSVOJCAOREIFU-UHFFFAOYSA-N 374.484 5.053 0 40 FKAB Cc1ccc2nc(S[C@@H](C)c3nc4ccccc4n3C(F)F)[nH]c2c1 32879213 RBSXHYDBCFGNGN-NSHDSACASA-N 358.417 5.469 0 40 FKAB CN(C)c1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1 40934199 UCJSIBVJIPKASB-UHFFFAOYSA-N 362.454 5.554 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 44935039 OLTPYIFRPBVWPJ-HXUWFJFHSA-N 364.533 5.026 0 40 FKAB CC(C)(C)[C@@H](NC(=O)Nc1ccccn1)c1cccc(C(F)(F)F)c1 58300480 XETITFUORDMXRU-HNNXBMFYSA-N 351.372 5.009 0 40 FKAB CCCCCn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67259040 ITOMMYGYPMYDGF-UHFFFAOYSA-N 374.456 5.157 0 40 FKAB Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(Cl)c2)cc1 97105787 DUAKTEJTTGDYHU-IBGZPJMESA-N 364.832 5.233 0 40 FKAB CN(C)c1ccc([C@@H](/C=C2\C=Cc3ccccc3N2C)c2ccccc2)cc1 100365576 DMFRMHILNMGLRN-POQGPQTDSA-N 366.508 5.932 0 40 FKAB O=C(Nc1ccccc1Cl)N1CCC(Oc2ccccc2Cl)CC1 152497977 ZVUCUWMIVJZSEN-UHFFFAOYSA-N 365.260 5.069 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)c(C)c1 222856448 GAOJTIATAXJMGH-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C(F)(F)F)cc1 222957694 WOTIEAHIFJGQCX-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225406697 WBGKACKSXOBIGJ-HNNXBMFYSA-N 356.535 5.430 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCCC2)cc1 225543141 VOSJAKWAUOSQFJ-UHFFFAOYSA-N 365.517 5.931 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccc(CSc2ccccc2)cc1 408778031 OVKIQCCNFBBMGE-UHFFFAOYSA-N 369.489 6.384 0 40 FKAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 409108353 WITYAHKEDMEKKE-UHFFFAOYSA-N 351.519 5.367 0 40 FKAB CCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409315559 JTTGXTVVVPCDGC-GZTJUZNOSA-N 373.861 5.370 0 40 FKAB CC(=O)Nc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 1775964805 DQKBTPQSZXNASL-UHFFFAOYSA-N 362.376 5.454 0 40 FKAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 1215523 BKCJAOULWOOMJH-ZSOIEALJSA-N 350.226 5.234 0 40 FKAB Cc1ccc(C)c(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 1893464 KGRQCDGAFWPDIV-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCc2ccccc21 2625842 QRBSETGEPHQABR-GOSISDBHSA-N 373.452 5.226 0 40 FKAB Cc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@H]32)c1 4119497 HEBTXPGHJAJQOE-REWPJTCUSA-N 355.462 5.775 0 40 FKAB C[C@]12Cc3c([nH]c4ccccc34)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 4721867 XAPHYNIJAGNNNA-PXOLYYBESA-N 363.545 5.486 0 40 FKAB CCn1c(C)c2c(C)nn3cc(-c4ccc(Cl)c(Cl)c4)cc3c2c1C 4751640 FJFDVBDRPDWELP-UHFFFAOYSA-N 372.299 6.208 0 40 FKAB COc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 5415879 HNVQQVMBTFUUCA-ONNFQVAWSA-N 357.862 5.651 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1CCc1ccccc1 5603077 JFTSEMJUCWGSAG-UHFFFAOYSA-N 369.386 5.743 0 40 FKAB COc1ccc(Nc2ccccc2NC(=O)c2cc3ccccc3o2)cc1 6553380 LOWIYMZTIXKNSP-UHFFFAOYSA-N 358.397 5.437 0 40 FKAB CCOCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 8253127 KFODMDFVMIUMFP-UHFFFAOYSA-N 367.464 5.074 0 40 FKAB O=P1(NCc2ccncc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 8323780 JLZYYUBUEKDRKM-UHFFFAOYSA-N 374.380 5.477 0 40 FKAB CC(C)c1csc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1 10637983 VGOFJMUXZRKXAA-UHFFFAOYSA-N 354.859 5.526 0 40 FKAB O=Cc1ccc(OCc2c(Cl)cccc2Cl)c(Br)c1 11994682 XQZLPXUMOWKPOR-UHFFFAOYSA-N 360.034 5.147 0 40 FKAB c1ccc(CCn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 12376363 WDBCNSPMCVEOLL-VHXPQNKSSA-N 356.494 5.692 0 40 FKAB Brc1ccc(CNc2ccccc2N2CCCCC2)s1 20547802 KZPSHSMXXGXOQZ-UHFFFAOYSA-N 351.313 5.113 0 40 FKAB Cc1c(Cl)cccc1NC(=O)Cc1cc(-c2cc3ccccc3o2)on1 23127293 UIMKXCQVKGFLLF-UHFFFAOYSA-N 366.804 5.231 0 40 FKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 24107304 LYNICCCGMVWLGV-QMMMGPOBSA-N 362.615 5.192 0 40 FKAB Cc1ccnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 27647337 URZWJZSRKLHDAZ-UHFFFAOYSA-N 356.347 5.328 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1OC(F)F 40024344 ODZUUVZHANHVOC-UHFFFAOYSA-N 362.763 5.050 0 40 FKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc2c(F)cccc2s1 40087135 GTRSLPCPCDLIFR-UHFFFAOYSA-N 369.446 5.141 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351683 JYCHOMQKRFBVJI-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB C[C@]1(c2ccc(Cl)cc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 97105451 OSTGVAJKMCOFQI-QFIPXVFZSA-N 372.859 5.412 0 40 FKAB ClC1(Cl)[C@@H]2[C@@H](c3ccccc3)c3ccccc3O[C@]21c1ccccc1 100929119 OHYNJWCJIONDAU-PWRODBHTSA-N 367.275 5.910 0 40 FKAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc2ccccc2c1 222819143 PMIJAPBHCZMFGD-UHFFFAOYSA-N 373.880 5.182 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cc(C)cc1C 222919633 KGUHOEMJUUFWQR-HXUWFJFHSA-N 353.506 5.705 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cc3ccccc3nc2s1 223130334 VOGAJFGMZXRTGQ-UHFFFAOYSA-N 372.371 5.721 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)c(C)c1 223408803 QMACSEUDNIWMIW-SANMLTNESA-N 371.524 5.759 0 40 FKAB Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C 223449010 WIHMNYSNXCFNBT-HKOYGPOVSA-N 371.480 5.039 0 40 FKAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1C(C)C 224562161 XXHYRHJVSMPIOI-UHFFFAOYSA-N 369.505 5.174 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 225672633 BVCSWQDVUXPBOH-INIZCTEOSA-N 360.910 5.237 0 40 FKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cn1 225906434 KKCNNMBNPFCWKJ-UHFFFAOYSA-N 364.530 5.067 0 40 FKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc2ccccc2s1 390826272 GVEFPZOVPAUWFB-KRWDZBQOSA-N 355.509 5.544 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 408621349 MAECLCGUQWUCCT-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB COc1cc(C)c(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1C(C)C 408735266 PFILDTUWLALAFM-UHFFFAOYSA-N 368.502 5.383 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccccc1 408825224 AUEARGBVSNEAGU-UHFFFAOYSA-N 352.459 5.024 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2cccc(C)c2C)cc1 409122028 YGNWJGIZGKNQMH-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Br)c1 1504250467 QUVKJRBAZPQLAC-UHFFFAOYSA-N 367.111 5.847 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC(C)C 649244 UVGXJDPRHGOZRK-UHFFFAOYSA-N 359.491 5.193 0 40 FKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 940113 NYEUXEWXWIOAAX-NSHDSACASA-N 357.759 5.073 0 40 FKAB O=c1cc(-c2ccccc2Cl)oc2c(Br)cc(Cl)cc12 1080966 UTUCNPNGMNEWGE-UHFFFAOYSA-N 370.029 5.529 0 40 FKAB biogenic,in-vitro COc1ccccc1/N=c1\cc(-c2ccc3c(c2)OCO3)oc2ccccc12 1106365 TWJKEFQDZRVYFB-HKOYGPOVSA-N 371.392 5.070 0 40 FKAB biogenic COc1ccc(-c2nc3ccccc3n2Cc2cc(C)ccc2C)cc1OC 1447791 XMGVLWSMRCPYAY-UHFFFAOYSA-N 372.468 5.386 0 40 FKAB CCOc1ccc(C(=O)CCCCC(=O)c2ccc(OCC)cc2)cc1 1833972 DMJVWMWJDPJGKG-UHFFFAOYSA-N 354.446 5.110 0 40 FKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(O)cc3)c2c1 1892560 SSMOTAROQUNPMO-YYDJUVGSSA-N 371.436 5.609 0 40 FKAB biogenic CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 2185681 ZWPNHPUNUPQKSE-QMHKHESXSA-N 374.459 6.110 0 40 FKAB O=C(Sc1cccc(C(F)(F)F)c1)c1cc(Cl)cnc1Cl 2559312 BJGCRNHWZRXUJB-UHFFFAOYSA-N 352.164 5.340 0 40 FKAB CCCCNC(=S)Nc1ccccc1Sc1ccc(Cl)cc1 2809077 HHOUZQMGUFASLC-UHFFFAOYSA-N 350.940 5.578 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2919350 MSWWFYOZJZSEDP-ZWKOTPCHSA-N 370.859 5.340 0 40 FKAB CCCCCOc1ccc(NC(=O)c2ccccc2Br)cc1 3150686 JWTXCTQIFTZNSR-UHFFFAOYSA-N 362.267 5.270 0 40 FKAB CCCCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OCC 3495706 HKKHPHXJZLBJMU-UHFFFAOYSA-N 355.478 5.387 0 40 FKAB O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4053068 IKZMLJRPGOEGAR-FGZHOGPDSA-N 361.872 5.443 0 40 FKAB aggregator CCCCC(=O)Nc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1 4649097 MUNWGESXQHJBER-UHFFFAOYSA-N 352.478 5.192 0 40 FKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)CCC2CCCC2)c1 4659824 XFUOEWGWYHWQCA-UHFFFAOYSA-N 364.917 5.025 0 40 FKAB O=C(Nc1cccc(Cl)c1)N1c2ccccc2S[C@@H]1c1ccco1 5648938 YWZMEMJWPYVWBP-QGZVFWFLSA-N 356.834 5.776 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 6363979 IRDSXMGOFHVPJM-UHFFFAOYSA-N 360.501 5.274 0 40 FKAB Cc1ccc(C(C)C)cc1OCCCN1CCCC[C@@H]1c1cccnc1 6624403 ZRRHSIONALPLMM-JOCHJYFZSA-N 352.522 5.510 0 40 FKAB biogenic Cc1cccc(-n2cc(-c3ccccc3)c3c(NCCC(C)C)ncnc32)c1 8415068 HXZQTYOHCHPPFW-UHFFFAOYSA-N 370.500 5.854 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)COc3cccc4ccccc34)nc12 9141241 MVHLGNROBXGTMO-UHFFFAOYSA-N 362.454 5.084 0 40 FKAB Clc1cc2c(c(COc3ccc4oc5c(c4c3)CCCC5)c1)OCOC2 12375185 JANIIDLYZCYVFE-UHFFFAOYSA-N 370.832 5.411 0 40 FKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3cccc(C)c3)n2)cc1 17075908 UPSDEPZRDGIVNL-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB CC[C@@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(F)cc3)c(C)nn12 21799298 JZWGFWWPMMLDST-CYBMUJFWSA-N 354.473 5.352 0 40 FKAB Cc1ccc(N(C)C(=O)Oc2ccc3cc(Br)ccc3c2)cc1 26571272 HDZIVDPYNIGMCP-UHFFFAOYSA-N 370.246 5.546 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 38755482 IUCGYBHLOYNMNR-IERDGZPVSA-N 369.505 5.028 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38856754 YBZXSSAVEAMOHF-UHFFFAOYSA-N 350.506 5.438 0 40 FKAB CC[C@H]1CCCN(C(=O)Nc2cccc(C3SCCCS3)c2)C1 43832877 RONBXXGORJADTC-AWEZNQCLSA-N 350.553 5.209 0 40 FKAB C[C@]1(c2ccccc2)CC(c2ccccc2)(c2ccccc2)c2ccccc21 49959299 NHZVDEWMDVTVLX-HHHXNRCGSA-N 360.500 6.731 0 40 FKAB O=C(Nc1cccc2ccccc12)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344358 IQUJIOCKRJIFGF-MSOLQXFVSA-N 356.252 5.889 0 40 FKAB COc1cc([C@H](C)Nc2cnc3ccccc3n2)ccc1OC1CCCC1 84647989 PZCXZJWFLWXRIZ-HNNXBMFYSA-N 363.461 5.133 0 40 FKAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102181010 OSTLLWRZYOJDGD-HDGQQAJQSA-N 365.542 5.461 0 40 FKAB CC(C)=CCC[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118932836 IWHFMVBOQJXVPS-BGLMPXDFSA-N 372.637 7.143 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118935442 YHTRVWPOAJKWBV-HXNVYPELSA-N 374.609 6.625 0 40 FKAB biogenic CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 216371249 TVJVYULGGDBIFG-XMSQKQJNSA-N 367.533 5.636 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2ccccc2Cl)c(C)c1 225295125 GMJJBMBCHNUNJW-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225806791 PFTIOXYXGOMUPN-UHFFFAOYSA-N 364.917 5.522 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1C 225908309 RKBHIGLPHFCFAC-OAQYLSRUSA-N 364.530 5.273 0 40 FKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(F)c1)C[C@]2(C)NC(=O)C1CCCC1 257301728 RZQQVZCWZMAPBT-VUUZQCJOSA-N 373.512 5.157 0 40 FKAB Cc1cccc(-c2c3c(nc4c2[C@H](O)c2ccccc2-4)CC(C)(C)CC3=O)c1 408979900 DHMJUVDIUWTHHY-XMMPIXPASA-N 369.464 5.274 0 40 FKAB CCOc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409115988 KUURHILPWHUSRI-UHFFFAOYSA-N 353.849 6.143 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2cccc(C)c2)cc1 409381931 PGDOUJOUAKYJTE-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Cc1ccc([C@H]2CC(Br)=NO2)cc1Oc1ccc(Cl)cc1 2362804352 OBLJAFGZXSWEBJ-OAHLLOKOSA-N 366.642 5.611 0 40 FKAB Cc1ccccc1NC(=O)OCc1cccnc1Sc1ccccc1 1388873 WLOQOWVJCZGVQV-UHFFFAOYSA-N 350.443 5.290 0 40 FKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(C)c(C)c3)c1-2 1784709 GJSQRYOREMRCHS-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3c(OC)cccc3OC)ccc21 2050817 PIDGUVKAJLWYEG-UHFFFAOYSA-N 374.440 5.084 0 40 FKAB O=C(CCc1cccc(Br)c1)c1cc(Cl)ccc1Cl 2516733 YOEPPZDCFHZCQW-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB Clc1ccc(Oc2ncnc3sc4c(c23)CCCC4)c(Cl)c1 2680232 WNBBVYNVXIXNAY-UHFFFAOYSA-N 351.258 5.669 0 40 FKAB CCN(CC)P(=O)(N(CC)CC)C(Cl)(Cl)Cc1ccccc1 3227322 CNEJNDGTPDXYCB-UHFFFAOYSA-N 365.285 5.237 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2sccc2C)N3)C1 4554594 QYSKWWAONSUICW-YVEFUNNKSA-N 374.575 6.088 0 40 FKAB COc1ccc(CNCC[C@]2(c3ccccc3)CCSC(C)(C)C2)cc1 5231450 WPEDUDCBRDFYRY-QHCPKHFHSA-N 369.574 5.419 0 40 FKAB COc1ccc(-c2nc3c(c(SCCC(C)C)n2)COC(C)(C)C3)cc1 5267390 XUTAOTWWRGCKSY-UHFFFAOYSA-N 372.534 5.142 0 40 FKAB O=C(Nc1cccc(Cl)c1)N(c1ccccc1)c1cccc2ccccc12 6344391 HBFPMFFKPAKZQG-UHFFFAOYSA-N 372.855 6.863 0 40 FKAB Cc1c(C(=O)N[C@@H]2CCSc3ccccc32)oc2ccc(Cl)cc12 7990113 FSWMOPGWUWQGFY-OAHLLOKOSA-N 357.862 5.362 0 40 FKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccccc1 9355721 QMXIWYIOFRWPGW-FQEVSTJZSA-N 357.413 5.020 0 40 FKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc2[nH]ccc2c1 13687322 CSGSNWUZEUMILB-UHFFFAOYSA-N 367.861 5.506 0 40 FKAB O=C(O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl 20139494 HOCWJRIHJAKVNJ-UHFFFAOYSA-N 366.225 5.159 0 40 FKAB CCn1c2ccccc2c2cc(CN[C@H](C)[C@@H](O)c3ccccc3)ccc21 22076202 NAFBMJAIFIWATM-MZNJEOGPSA-N 358.485 5.026 0 40 FKAB CCc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1 27793687 ASKOGGHYIRRTGZ-UHFFFAOYSA-N 355.890 5.811 0 40 FKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1cccs1)CC(O)=N2 32094051 ZUFIYROLGVRVPT-CYBMUJFWSA-N 368.483 5.494 0 40 FKAB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c2cccnc12 41157056 DZXMDXRFUIOOBZ-UHFFFAOYSA-N 352.437 5.314 0 40 FKAB CC(C)c1cc(Br)c2oc(-c3ccc(N)c(Cl)c3)nc2c1 45954146 VQPCHJGESRJHDX-UHFFFAOYSA-N 365.658 5.616 0 40 FKAB Cc1cc(Br)ccc1NC(=S)Nc1ccc(F)cc1Cl 71761752 BOZYRRAAUMZCQA-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB COc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 107040951 QYPHPRRAIZSTNR-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 144660162 IIUROSKZBKPNOQ-QGZVFWFLSA-N 363.482 5.907 0 40 FKAB O=C(CCc1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 220010808 MIXSNWOVGDFGNO-UHFFFAOYSA-N 363.888 5.502 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222996226 CLPSOAZZMLOGCG-HXOBKFHXSA-N 365.517 5.163 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224131866 YTRCISKZGNDRHK-ZDUSSCGKSA-N 365.816 5.645 0 40 FKAB O=C(NCC1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 224277085 DJWNILLMVZUJCW-UHFFFAOYSA-N 357.881 5.229 0 40 FKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1 408527753 HOBXWLHUDZBCKD-UHFFFAOYSA-N 368.392 5.155 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 408562943 GVHBZJLTVLLPIX-SFHVURJKSA-N 361.510 5.214 0 40 FKAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(C)c(C)c1 408834323 VUZLFVFMMIHIRB-UHFFFAOYSA-N 351.475 5.027 0 40 FKAB Cc1ccc(COc2ccc(CNc3cc(Cl)ccc3C)cc2)cc1 409110895 ZKIFUFBYERNWBU-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccccc1Cl 409112960 HHQPYEKOPNETAA-AQTBWJFISA-N 361.828 5.412 0 40 FKAB CC(C)N(CCOc1ccc(F)cc1Oc1cccc(Cl)c1)C(C)C 585266193 HWFSGPRSPXOIEC-UHFFFAOYSA-N 365.876 5.769 0 40 FKAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cccc2ccccc12 1775977503 ISVOPZMKMPMXDH-NRFANRHFSA-N 373.477 5.032 0 40 FKAB Cc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)c1 2072434 QGQLXQZPORHTFB-UHFFFAOYSA-N 351.453 6.171 0 40 FKAB COc1ccc(-c2cc(C(=O)Oc3ccccc3C)c3ccccc3n2)cc1 2318012 LXAZZMKIFOPGND-UHFFFAOYSA-N 369.420 5.438 0 40 FKAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1C)nn3CC(C)C 2430672 XGGGSFYMQOOLFJ-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 2512629 XBLBHDQTUWLCOJ-UHFFFAOYSA-N 351.343 5.295 0 40 FKAB CC(C)c1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 2747475 PDNFIOYPETZRTF-UHFFFAOYSA-N 372.493 6.339 0 40 FKAB O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008100 JCNBYFWKRBBUNS-UHFFFAOYSA-N 373.497 5.057 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1C 3212365 WAEOWOKCSCKHCJ-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1 5673241 AXGUMIPANVDHSE-UHFFFAOYSA-N 367.663 5.287 0 40 FKAB CCCCCC[C@@]1(CCCCCCCCCCC(=O)O)NC(C)(C)CO1 6756411 WJUCIATYSCJYAM-JOCHJYFZSA-N 369.590 6.037 0 40 FKAB in-vitro O=C(Cc1ccccc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 7725451 CSZXLWXBPROAEN-UHFFFAOYSA-N 361.832 5.065 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)c3cc(C)ccc3n2)cc1 8471940 QXWPSKHERDEFPZ-UHFFFAOYSA-N 372.512 5.923 0 40 FKAB CCCCc1ccc2nc(C)c(CN(CCCC)CCCC)c(O)c2c1 8717987 UJEBDMYPJHMZJH-UHFFFAOYSA-N 356.554 5.994 0 40 FKAB FC(F)(F)c1cc(-c2cccnc2)nc2cc(-c3ccc(Cl)cc3)nn12 9925815 ZREJPZXZZDNXIP-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB C[C@H](N[C@H](C)C(=O)Nc1cccc2ccccc12)c1cc2ccccc2o1 12909350 NQEUDEVIGPCRLR-JKSUJKDBSA-N 358.441 5.264 0 40 FKAB Cc1csc(-c2nc(NCc3cccs3)ncc2-c2ccsc2)n1 13227962 BZVTYSLVZVITGU-UHFFFAOYSA-N 370.528 5.311 0 40 FKAB Cc1ccc(/C=C2\C[C@@H](C)CC3=C2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 13496598 ZNYUDPJGWDILSJ-COOXJWIVSA-N 374.553 5.590 0 40 FKAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13613632 HRLNJMIGVXZGRZ-QGZVFWFLSA-N 369.505 5.029 0 40 FKAB S=C(Nc1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 13820590 SPQRUNQCFUXAOV-UHFFFAOYSA-N 352.890 5.416 0 40 FKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(Cl)cc1Cl 14130319 QBFVCXSFSSXPQF-XGICHPGQSA-N 358.146 5.505 0 40 FKAB Cc1cc(C)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c(C)c1 15016767 VAJNDEPIEXFDML-XXBNENTESA-N 374.509 5.916 0 40 FKAB Fc1ccccc1CCNCc1cccc(OCc2ccccc2Cl)c1 16449554 VBUDYUVRDNQBOB-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCOC 16891612 QTRKSBZYBWSRBJ-KTZABMDBSA-N 356.547 5.184 0 40 FKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 17076528 GHKCLRUYLSEZJY-UHFFFAOYSA-N 373.831 5.941 0 40 FKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)C3CCCC3)c2)c1 19686986 RONNOZVRLKYFCT-HSZRJFAPSA-N 362.517 5.143 0 40 FKAB CCCOc1ccc(Br)cc1CNc1cc(Cl)ccc1C 37184652 BDQAZMINJUVLRX-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB CSc1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760813 YMOCZELRQKNUGX-UHFFFAOYSA-N 358.410 5.116 0 40 FKAB Cc1csc(C2(NCc3ccccc3Oc3cccnc3)CCCC2)n1 72308886 QAGXQBBFKFJABQ-UHFFFAOYSA-N 365.502 5.198 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 73638105 MXFLUKILYWZLAC-UHFFFAOYSA-N 350.643 6.034 0 40 FKAB CC(C)c1cc(Br)c2oc(Cc3ccc(Cl)cc3)nc2c1 73638768 GEJMDTGRQWINDI-UHFFFAOYSA-N 364.670 5.958 0 40 FKAB CC(C)[C@H](CNC(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1 78673825 IVVRUOFCDRQLFE-QFIPXVFZSA-N 360.457 5.044 0 40 FKAB CSc1nc(-c2ccccc2)c2c(c1C(=O)Nc1ccccc1)CCCC2 95117559 KKMWQZIQPHOJPZ-UHFFFAOYSA-N 374.509 5.602 0 40 FKAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Oc2ccccc2)cc1 222971270 ZFHXEIGOFXZEBB-UHFFFAOYSA-N 373.452 5.375 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222996737 AKXNMOPWBYZDGB-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1C(C)C 223368864 JMEUAHJSBSJBSB-CQSZACIVSA-N 360.885 5.663 0 40 FKAB C[C@@H](CNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 223393211 UEZGBCNAGOLBBE-SFHVURJKSA-N 361.510 5.512 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COC(C)C 224716023 IDTVISSHVMRGGP-UHFFFAOYSA-N 361.869 5.224 0 40 FKAB CCSc1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225374698 ZZHZMPITDNSZHJ-UHFFFAOYSA-N 354.302 5.677 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 225632888 UJMCUVKSYHDEFH-QFIPXVFZSA-N 367.851 5.236 0 40 FKAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225823068 OXWXAZWZYOKMAU-JOCHJYFZSA-N 357.494 5.408 0 40 FKAB CCOc1cccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225862210 REIXSEFHFVKATC-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB CC(C)(C)C(=O)c1ccsc1NC(=O)c1cscc1C(F)(F)F 622804582 LNMKMSJZQTWQGL-UHFFFAOYSA-N 361.410 5.310 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)o1 680042 JSOAGALSALFCDC-VAWYXSNFSA-N 366.486 5.661 0 40 FKAB C[C@@]1(C(=O)Nc2ccc(Cl)cc2)CC2c3ccccc3C1c1ccccc12 825784 BWNNOPSFWAYRMW-UBVWURDFSA-N 373.883 5.966 0 40 FKAB COP(=O)(OC)O/C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl 2015623 UBCKGWBNUIFUST-BJMVGYQFSA-N 365.964 5.602 0 40 FKAB O=c1oc(-c2ccco2)cc2scc(-c3ccc(Br)cc3)c12 2257806 NAHQQZBAXPIYAR-UHFFFAOYSA-N 373.227 5.544 0 40 FKAB Cc1nc(Sc2ccc3ccccc3c2)c2c3c(sc2n1)CCCC3 2679247 VBCCLHRLGRAWHT-UHFFFAOYSA-N 362.523 6.183 0 40 FKAB Cc1ccc(C(NC(=O)N(C)C2CCCCC2)=C(Cl)Cl)cc1F 3190169 GSBJEPKSZIYAIS-UHFFFAOYSA-N 359.272 5.212 0 40 FKAB CN(C)c1ccc(C[C@@H](c2ccccc2)c2ccc3ccccc3n2)cc1 3845718 VCGODHIYWCESDP-QHCPKHFHSA-N 352.481 5.675 0 40 FKAB biogenic Cc1ccc2c(c1)cc(C(=O)Nc1ccc(OCc3ccccc3)cc1)n2C 4711980 UJKSUCDGAMAUDY-UHFFFAOYSA-N 370.452 5.318 0 40 FKAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc2ccccc12 5027629 NOINQDMODNNNHA-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1ccc2c3c(cccc13)CC2 5514366 KKJOLEXUXBCXBB-AVRDEDQJSA-N 359.469 5.063 0 40 FKAB C/C=C/CSc1cc(NC(=S)c2ccsc2C)ccc1Cl 5566341 NLFLVHAFOCGXJG-ONEGZZNKSA-N 353.965 6.166 0 40 FKAB Cc1ccc(N=[P@@](c2ccncc2)(N2CCCC2)C(C)(C)C)c(C)c1 5570749 HVGLDSAKTUDTRU-VWLOTQADSA-N 355.466 5.666 0 40 FKAB Cc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCCCC2)cc1 6233863 UIQDMQDCXUIIMJ-UHFFFAOYSA-N 355.869 5.659 0 40 FKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1 6476397 XAHATQWGMUNTFN-UKTHLTGXSA-N 374.248 5.553 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1 6860496 ZJPBKKASQJVMIY-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 6922824 AZJXRISHGGWVNA-YBFXNURJSA-N 362.454 5.021 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1c[nH]c2ccccc12 9481455 FZVDIBAHUKOLBU-UHFFFAOYSA-N 368.480 5.049 0 40 FKAB biogenic Cc1ccccc1CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 12730073 JEUKUXRNGRKPGA-UHFFFAOYSA-N 364.426 5.153 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c(Br)c1 14069980 CUBXNXWCIQDZLR-UHFFFAOYSA-N 374.209 5.409 0 40 FKAB CC(C)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 14258136 WYAMUAXXQCUYAK-UHFFFAOYSA-N 351.490 5.875 0 40 FKAB CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC 14427002 NZIXDRRRXFTXPL-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB O=C(CCCc1cccs1)Nc1nc(-c2ccc(F)c(F)c2)cs1 14585775 IWGYTCVGNOJHMU-UHFFFAOYSA-N 364.442 5.111 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccs1)C2=O 17118356 KEFQOADBHMAFFK-XPJDYVRESA-N 368.586 6.743 0 40 FKAB c1ccc([C@@H]2O[C@@H](c3ccco3)N(c3ccccc3)[C@H]2c2ccccc2)cc1 17194167 OINGAVBNLZRPHH-SDHOMARFSA-N 367.448 6.298 0 40 FKAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1nnc(-c2ccccc2)o1 19298309 PUUNGPNASPRLSS-GFCCVEGCSA-N 366.421 5.119 0 40 FKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3oc4ccccc4c3c2)cc1 22700202 SCFYNSICFWBZJM-OAHLLOKOSA-N 373.408 5.195 0 40 FKAB Cc1cc2cc(NC(=O)c3sc(Cc4ccccc4)nc3C)ccc2[nH]1 25129241 LTCPTSIXDVRGFX-UHFFFAOYSA-N 361.470 5.084 0 40 FKAB CCCCC1CCC(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)CC1 27795255 JTFJBTFUPFAXIM-UHFFFAOYSA-N 373.924 6.463 0 40 FKAB O=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 53944021 WJOVSCGLZZRXDU-UHFFFAOYSA-N 372.399 5.070 0 40 FKAB Brc1ccccc1-c1nc2cccc(Cc3ccccc3)c2o1 57352424 AXSMNRKZVCGHHG-UHFFFAOYSA-N 364.242 5.848 0 40 FKAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)c1nc(-c2ccccc2)no1 58358110 AFJKVSKPJMCVBN-LBPRGKRZSA-N 367.405 5.384 0 40 FKAB O=C(Nc1cnc2ccccc2c1)c1c[nH]cc1-c1ccc(Cl)s1 60580994 VHTHFSULQBUDAB-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 101214975 UESRSGGAWUCSIK-IFMALSPDSA-N 373.887 6.144 0 40 FKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 218934518 YCNMIXORZODMMB-OAQYLSRUSA-N 353.506 5.247 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 222885934 BFFDKWQJZFLAGP-KRWDZBQOSA-N 352.261 5.352 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222992628 FRUUGIJKGWFWQN-PGRDOPGGSA-N 367.533 5.636 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465189 GZLKGXOWOHOSQB-QFBILLFUSA-N 359.897 5.300 0 40 FKAB Fc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1Cl 225544041 GYLWJQBGAQOURY-UHFFFAOYSA-N 357.281 5.052 0 40 FKAB O[C@H](c1ccc2c(c1)oc1ccccc12)c1ccccc1Br 226296575 JICVBQIBJVQCSD-LJQANCHMSA-N 353.215 5.430 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247417108 QMRDTBCVNBSBEQ-GZEZKRSXSA-N 369.464 5.835 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 408623173 RUDJNZCDUOOQTB-GOSISDBHSA-N 365.517 6.265 0 40 FKAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409000428 SXQKPIGWUVHRIU-PMVMPFDFSA-N 355.437 5.164 0 40 FKAB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(C(C)C)C2=O)c1 409022438 NWFBOYQXJNYSDX-XDHOZWIPSA-N 367.470 5.019 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccccc2F)c(OC)c1 409110675 FVLOYRDEQCNPDT-UHFFFAOYSA-N 365.448 5.588 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccccc2)c(Cl)c1 409118589 RNWRQHNALLDVTJ-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CC1(C)c2ccccc2C2(c3ccccc3Nc3ccccc32)c2ccccc21 1857794363 NUVQNVZRRXKABN-UHFFFAOYSA-N 373.499 6.766 0 40 FKAB O=C(NC1CCCCCCC1)c1cccnc1SCCC(F)=C(F)F 1398630 IEHRZTWVKVNKHP-UHFFFAOYSA-N 372.456 5.484 0 40 FKAB CCOC(Cc1cccc2ccccc12)(c1ccccc1)c1ccccc1 1727311 OMBHFZNBAXKZSO-UHFFFAOYSA-N 352.477 6.363 0 40 FKAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2-c2ccccc2)cc1OC 1747975 QXNYXGPSBNVWAH-JQIJEIRASA-N 374.436 5.380 0 40 FKAB CC(=O)c1sc(C(C)(C)C)cc1NC(=O)C(Cl)=C(Cl)Cl 2152813 DGYSSWIHCCHIJN-UHFFFAOYSA-N 354.686 5.072 0 40 FKAB Clc1ccc(Cl)c(Oc2nc(-c3ccncc3)nc3ccccc23)c1 2253960 AHNWSAROTSFDLE-UHFFFAOYSA-N 368.223 5.791 0 40 FKAB CC(C)Oc1ccc(-c2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1 2255916 VSLQYYBRBQILIK-UHFFFAOYSA-N 373.431 5.967 0 40 FKAB CCOc1cc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)ccc1O 2349356 VHNYWPYKAVOEQJ-UHFFFAOYSA-N 368.483 5.638 0 40 FKAB Cc1sc2ncnc(Oc3cc(Cl)c(Cl)cc3Cl)c2c1C 3283994 KDXPAVIMZNURCO-UHFFFAOYSA-N 359.665 6.061 0 40 FKAB Cc1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 4070500 SHXHGNPKZHBFKF-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB O[C@H](CN1CCC[C@H]2CCCC[C@@H]21)c1cc2c(c3ccccc13)CCCC2 4409370 UTZUPMNYTGCZNO-AYCKEJKLSA-N 363.545 5.407 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CSc1cccc2ccccc12 4784193 BJHQGIFXECHJTI-UHFFFAOYSA-N 357.862 5.233 0 40 FKAB CCCCc1ccc(NC2=NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 5869451 UAUCDSBEIWFFCH-SFHVURJKSA-N 372.921 5.335 0 40 FKAB Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1C 6340021 SVVNEPVXNCWKAW-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1Cl 6554489 CWNQDQHXXSQZIE-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB CCc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 6709306 ZZBKPSWMQSXPAL-UHFFFAOYSA-N 360.240 6.068 0 40 FKAB O=C(CN(C1=NCCCCC1)c1cccc(Cl)c1)c1ccc(F)cc1 8418249 FMLJBRCPSHPYNT-UHFFFAOYSA-N 358.844 5.141 0 40 FKAB Nc1c(Cl)cc(Cl)c(-c2nc3ccccc3s2)c1Br 8729520 LCOOEGFAZBCRKS-UHFFFAOYSA-N 374.090 5.615 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 12927326 YZGUISVCESIGEZ-KQPPXVQYSA-N 368.889 5.327 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 14028158 WIODSWSCEZMGDT-UHFFFAOYSA-N 366.288 6.205 0 40 FKAB CC(C)[C@@H](C(=O)Nc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 15325406 NVKNRWDXMJBDPS-OAHLLOKOSA-N 350.915 5.472 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 20494064 MFHLQVVYOIBZQU-OAQYLSRUSA-N 361.510 5.860 0 40 FKAB Cc1cccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 21956200 VHNWYAOIBBMQHU-FNORWQNLSA-N 368.230 5.174 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 22530545 MIDJTAZDRXKFSO-LJQANCHMSA-N 374.267 5.943 0 40 FKAB Cc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1C 23390684 WEHDRSAHTSRDQF-UHFFFAOYSA-N 363.461 5.048 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccccc1Cl 27989665 WFHQFLUJZMYEEC-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB Cc1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)o1 36499971 FAXCDVZHMMFRAL-PBJCYCTMSA-N 366.545 6.583 0 40 FKAB biogenic O=C(OCc1nc2ccccc2o1)c1ccccc1SCc1ccco1 37124413 LDRMWSHJSQBLTH-UHFFFAOYSA-N 365.410 5.070 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H]1c1ccc(F)cc1 48332439 HNGCWPIJHYYQMO-INIZCTEOSA-N 353.224 5.502 0 40 FKAB COc1ccc2nc(C)cc(Nc3cc4ccccc4cc3C(=O)O)c2c1 55129222 HZXDZAVSHLLURI-UHFFFAOYSA-N 358.397 5.147 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 63450781 ORXPODOJOITKRB-UHFFFAOYSA-N 370.496 5.372 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212134 OLOANEDIOIJOHC-OAQYLSRUSA-N 374.440 5.348 0 40 FKAB O[C@H](c1ccc(Cl)cc1)c1c(C(F)(F)F)cc(Cl)nc1Cl 91695086 SWYBTJZWSGHTED-LLVKDONJSA-N 356.558 5.142 0 40 FKAB CC(C)c1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 102402255 DVASEIMGQMNAIH-IERDGZPVSA-N 374.444 5.060 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1 108029802 QYFYNBRMXVNETB-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)cc1 223457551 GFRMKXSZSYUWPV-UHFFFAOYSA-N 369.574 6.232 0 40 FKAB CCOc1ccc(C(=O)NC2CCCC2)cc1CSc1ccc(C)cc1 224659567 UDADMJJTFGUEGY-UHFFFAOYSA-N 369.530 5.358 0 40 FKAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 1775971614 XMDXDGRAWCVDRI-UHFFFAOYSA-N 359.878 5.417 0 40 FKAB FC(F)(F)c1cccc(Cc2cn3cc(-c4ccccc4)nc3s2)c1 702460 PNCJVXNXGGETKK-UHFFFAOYSA-N 358.388 5.672 0 40 FKAB c1ccc(-c2oc3ncnc(NCc4ccco4)c3c2-c2ccccc2)cc1 708538 BKKYZSLGYNYHAX-UHFFFAOYSA-N 367.408 5.762 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 904094 OELNPKLOJAARBF-UHFFFAOYSA-N 356.775 5.304 0 40 FKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(OCC)cc1 940249 ZVOYEJYIWHKKPO-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB CC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(C)cc1 1023036 JFBRSUFLLSAEPK-PRRZOPQCSA-N 367.492 5.867 0 40 FKAB Cc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 1248898 JNFOQPZQQNIIJS-UHFFFAOYSA-N 371.426 5.485 0 40 FKAB CC(C)Oc1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1Cl 1392301 ZALLEGDFKZRNSX-UHFFFAOYSA-N 358.652 5.686 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4ccc5ccccc5c4)ncnc32)cc1 2315808 GAYPPWYFAZUAEQ-UHFFFAOYSA-N 351.413 5.021 0 40 FKAB Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1cccc2ccccc12 3147133 CQTBUDYNEBYXTI-UHFFFAOYSA-N 355.224 5.154 0 40 FKAB C[C@@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1ccco1 3765549 FRCBWDRTYXZHRL-SFHVURJKSA-N 372.468 5.034 0 40 FKAB CCCCN(CCCC)CCCCCCCN(CCCC)CCCC 4720935 PHDUOBVVGOISIX-UHFFFAOYSA-N 354.667 6.741 0 40 FKAB O=C1c2cccc3c(NC4CCCCC4)ccc(c23)C(=O)N1c1ccccc1 5553409 QFQJXUZSOYPIED-UHFFFAOYSA-N 370.452 5.385 0 40 FKAB CCc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(C(C)C)cc1)=N2 6134978 UAMNBQDESYZSHM-UHFFFAOYSA-N 368.484 5.201 0 40 FKAB CCOC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1-c1ccccc1 8228714 CKGLEDHIOHOSEW-UHFFFAOYSA-N 371.436 5.591 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(Br)cc2)o1 9198723 ONINTGGEBBNLKL-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)o2)cc1 11689792 FSDLVCUBYCLPJZ-UHFFFAOYSA-N 361.372 5.616 0 40 FKAB O=C(c1ccccc1F)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185191 ZBWGOWWPNADYPV-QGZVFWFLSA-N 370.449 5.300 0 40 FKAB Cc1ccc(C2=NN(c3ccc(C)c(Cl)c3)[C@@H](c3ccccc3)C2)cc1 16292169 YZOSLKKJBHDDKE-HSZRJFAPSA-N 360.888 6.313 0 40 FKAB Cc1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 17074213 QDMGVYQYIYGUCL-UHFFFAOYSA-N 360.407 5.852 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 20044103 UUORVCBWNZHBBD-HSZRJFAPSA-N 361.485 5.979 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 20107651 FNJOOIYQHIJEGG-RBUKOAKNSA-N 359.922 5.405 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)CCc1ccccc1 20492948 NEECEUJQQHCPMD-HNAYVOBHSA-N 361.938 5.348 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCCCCCC1 21335027 FSRXVKGGQOOBNE-UHFFFAOYSA-N 360.885 5.157 0 40 FKAB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 30871490 AZKOEMYJMAHZIN-JGZYNSJSSA-N 364.272 5.283 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2nc(C)c(C)nc2c1 32740699 HTZPOLOGFXSGIO-UHFFFAOYSA-N 367.880 5.277 0 40 FKAB Cc1nc(CC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cs1 32772491 WRJAZISCXAADRA-HXUWFJFHSA-N 370.543 5.085 0 40 FKAB CC(C)(c1ccccc1)c1ccc(OCCC2CCNCC2)c(Cl)c1 42771135 OBTNFDRDKYLRJA-UHFFFAOYSA-N 357.925 5.434 0 40 FKAB CC(C)Oc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 44847711 HWIPSUDDGPMFAA-UXBLZVDNSA-N 364.272 5.110 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC(C)C)c1ccccc1 44904213 SEAUTFUALNHONZ-OALUTQOASA-N 359.897 5.401 0 40 FKAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 61997154 YZXDJYVQYZMHTL-UHFFFAOYSA-N 356.809 5.035 0 40 FKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)cc3C)oc12 67339958 HSIJQYQWVINFBN-FNORWQNLSA-N 355.821 5.364 0 40 FKAB Cc1ccccc1NC(=O)NCc1sc(-c2ccccc2Cl)nc1C 90593316 LIDWQYHIJYZTNS-UHFFFAOYSA-N 371.893 5.402 0 40 FKAB CCOC(=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 95101147 GKTWALKIQDRRLR-UHFFFAOYSA-N 354.352 5.181 0 40 FKAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Cl)c1 95946224 FGPWHXFOIJXCPX-IBGZPJMESA-N 364.832 5.233 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222971864 CEMMBBXYXFWWED-GCJKJVERSA-N 365.517 5.217 0 40 FKAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(Cl)cc21 223237439 YUYLFFHCNAYQRB-UHFFFAOYSA-N 356.691 5.042 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1C(C)C 223273284 ZTUMYHCEUAYEDA-IENJSVCTSA-N 351.490 5.326 0 40 FKAB CC(C)CSc1nnc(NC(=O)CCc2cccc3ccccc23)s1 224982814 YLRAVOVMPPLEQA-UHFFFAOYSA-N 371.531 5.011 0 40 FKAB CC(C)Oc1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225338818 ATKIVZQKYQPIBD-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C 225736534 HIELXOSAXGVXTI-QFIPXVFZSA-N 363.542 5.652 0 40 FKAB CC(C)Cc1nc(CC2CCCC2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265349 MLMWVIJYZGZZTB-UHFFFAOYSA-N 371.908 6.031 0 40 FKAB Cc1ccc(C(=O)c2sc3nc(C)cc(-c4ccc(C)o4)c3c2N)cc1 856097 GKFWGLDWCGEAPZ-UHFFFAOYSA-N 362.454 5.295 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 1100128 JNTLLCSOBPBEPV-SFHVURJKSA-N 359.469 6.031 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 1513668 RPDDVRFQAYEQMC-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 2147687 HCKVILLYYJZSRG-UHFFFAOYSA-N 360.453 6.044 0 40 FKAB biogenic CCOc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2301787 PFQRBJAWBJSRDE-UHFFFAOYSA-N 372.453 5.096 0 40 FKAB Cc1cccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc12 4069866 ZCNGYTUBSWRKAF-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB C[C@]12CC[C@H]3[C@@H](C=C[C@]45C[C@@H](O[C@@H]6CCCCO6)CC[C@]34C5)[C@@H]1CCC2=O 4934711 DVWMKPXIAINHCS-AOOMOBRFSA-N 370.533 5.040 0 40 FKAB C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 5637860 LJDAGWZNXYIWPR-GFCCVEGCSA-N 374.918 5.583 0 40 FKAB O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)c1ccccc1-c1ccccc1 5667789 YJINZDHDINSFGD-WMZHIEFXSA-N 359.469 5.478 0 40 FKAB Cc1ccc2c(COc3ccc(-c4ccccc4)cc3)cc(=O)oc2c1C 6787300 ILIBZZMALXMPNH-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(CC)cc32)cc1 6844132 VGHSTGFUXAVNSY-UHFFFAOYSA-N 369.468 5.082 0 40 FKAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7653953 ZYVRTMJIVSYBRU-LJQANCHMSA-N 360.482 5.100 0 40 FKAB Cc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 7700176 NRUKCABELBGAMQ-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1ccc2c(CC(=O)OCc3csc(-c4ccsc4)n3)coc2c1 7735036 AHQGXDOUJANCOL-UHFFFAOYSA-N 369.467 5.212 0 40 FKAB Cc1ccccc1NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1 7985243 YNMXDOBAAXUUEL-UHFFFAOYSA-N 366.848 5.491 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CCSc2ccccc21 8040011 GQNRUXSKNKZCLS-LJQANCHMSA-N 363.482 5.233 0 40 FKAB CC(C)c1ccc(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1 12541324 IEQLNWAUDQPWDP-UHFFFAOYSA-N 374.871 6.009 0 40 FKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(C)cs1 12595430 IHOKXAKIOSAVRO-UHFFFAOYSA-N 367.492 5.274 0 40 FKAB C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1F)c1ccc2ccccc2c1 12879028 HVYXWUXWGZGEKC-UONOGXRCSA-N 370.855 5.310 0 40 FKAB CCSc1nc(-c2ccccc2)c(NC(=O)CCc2ccccc2)s1 12891252 QNOXFZIAVOAQKD-UHFFFAOYSA-N 368.527 5.493 0 40 FKAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCCc2ccccc21 13669642 HVHIWHGBRUPHAT-UHFFFAOYSA-N 359.494 5.572 0 40 FKAB Clc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 16493566 SUVFYAUIEZUUST-IBGZPJMESA-N 361.832 5.592 0 40 FKAB Cc1ccc(C)c(COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1 17026149 MFVRMEDWOWMLFU-GOSISDBHSA-N 360.501 5.667 0 40 FKAB CCCCn1nc(NC(=O)c2cccs2)c2cc3ccc(C)cc3nc21 17207708 GFLLWOIWRYDYOY-UHFFFAOYSA-N 364.474 5.007 0 40 FKAB Cc1ccc([C@H]2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1C 19926946 FFULXGXTXUEHTD-QGZVFWFLSA-N 351.393 5.101 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 20106673 JKXTZYPYSUDBBZ-HNNXBMFYSA-N 351.471 5.358 0 40 FKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccccc1 20106946 BWJFDMUXQIDXLV-RXVVDRJESA-N 353.506 5.481 0 40 FKAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/c1nc2ccccc2o1 23987018 JJUOFJLXABQPMP-VAWYXSNFSA-N 363.848 5.513 0 40 FKAB CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 28427619 ZWPHIZSVAVKZLG-CQSZACIVSA-N 352.305 5.769 0 40 FKAB CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2CCOC(=O)Nc1ccccc1 43736880 XEMYEKIWQRPWRD-NNLJWKLDSA-N 373.537 5.619 0 40 FKAB biogenic CCSc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 44848266 MFXOBBYLCIKHKV-CSKARUKUSA-N 352.286 5.757 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44947536 ACPQIFIGWFXGED-IBGZPJMESA-N 370.496 5.049 0 40 FKAB O=C(CCNc1ccc2c(c1)oc1ccccc12)C12CC3CC(CC(C3)C1)C2 55174928 DXDIPXKOWOQXSQ-UHFFFAOYSA-N 373.496 6.174 0 40 FKAB COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100902533 SOLFGTIEYURABM-OKNSCYNVSA-N 361.557 5.467 0 40 FKAB COc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101220292 SJGFGKKZTYWLGZ-IFMALSPDSA-N 355.441 5.191 0 40 FKAB Clc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1 106982656 LMVQJFIFTPGXBW-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118931863 LMGRIFIYAJHRKP-RVEABXQPSA-N 358.610 7.041 0 40 FKAB C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)CCC2 223207970 NJAGKEASSZMLJY-GOSISDBHSA-N 371.480 5.245 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSC1CCCCC1 224971603 PLIZFYAVLXBHEI-UHFFFAOYSA-N 353.531 5.078 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cc1 225666550 AFAQULVUSQBWJC-UHFFFAOYSA-N 350.487 5.038 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2)c1 225698000 DDXMDKWPCYKVPF-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12 225898138 RLCTWUXFOZCMPW-JOCHJYFZSA-N 372.509 5.338 0 40 FKAB CC(C)(C)c1cnc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)o1 227163855 MHDSXEIGZAMFQU-UHFFFAOYSA-N 361.873 5.037 0 40 FKAB COc1ccc(/C=C(/C(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 408925786 PVKDVSXLIQMYCF-CJLVFECKSA-N 357.453 5.491 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 409001131 URUJXNBIEKSOJH-HTVRVGPGSA-N 369.464 5.835 0 40 FKAB Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 677212 NJOUJOKZNVQGMK-UHFFFAOYSA-N 360.910 5.073 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2c(ccc3ccccc32)o1 862398 ZVLIZWIGVFKDRD-UHFFFAOYSA-N 356.208 6.145 0 40 FKAB CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc21 1713463 HZTLJZSOMGPVTM-UHFFFAOYSA-N 352.430 5.112 0 40 FKAB biogenic,in-vitro CCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1cccs1 2425237 BTYXSRHXMLWYOT-LJQANCHMSA-N 353.487 5.302 0 40 FKAB Cc1ccc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1C 2649868 OYOOSRZILWSADW-DEOSSOPVSA-N 371.505 6.501 0 40 FKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC(C)(C)C 2889801 HVMNQXZNXFGRSB-UHFFFAOYSA-N 365.882 5.230 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2s1)c1cc2ccccc2o1 3244587 OVUKSXMFCJNVRB-UHFFFAOYSA-N 359.859 5.671 0 40 FKAB aggregator CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Cl 3387816 AGBDOPORALZFOH-KBPBESRZSA-N 359.853 5.038 0 40 FKAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 4287907 CLTJFDKZRVRVHZ-UHFFFAOYSA-N 350.274 5.081 0 40 FKAB Cc1c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccc(Cl)cc12 4520407 RMNDOEVVKFUCKR-QRYOHXEKSA-N 371.908 5.729 0 40 FKAB Cc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1C 5192035 PLXDCKWOIBLECK-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB Cc1ccc(C)c(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)c1 5682225 IVAZRPYMQYBAOS-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(SC(F)F)cc1 5750162 MHEVPXQOOJTSSQ-XCVCLJGOSA-N 371.355 5.255 0 40 FKAB CN(C(=O)c1cc(Cl)ccc1Cl)C(c1ccccc1)c1ccccc1 6451519 CIAOJCCQORMVOT-UHFFFAOYSA-N 370.279 5.855 0 40 FKAB Cc1c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)oc2ccccc12 7117221 VYEOWLISSSBTQA-ZDUSSCGKSA-N 350.443 5.184 0 40 FKAB COc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 7614252 OAEXADWUHRWXCM-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 7643523 PHEQQDXTZCPBOV-CQSZACIVSA-N 368.477 5.073 0 40 FKAB CCc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 11690646 YMYKCKLKQIGTCC-UHFFFAOYSA-N 353.849 5.734 0 40 FKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1cc2ccccc2o1 12919324 BBLVRGIZBUDMIG-ZHACJKMWSA-N 359.347 5.123 0 40 FKAB CN(C(=S)Nc1ccccc1)[C@@]1(c2ccccc2Cl)CCCCC1=O 16155614 YGNOYHQATNMCMW-HXUWFJFHSA-N 372.921 5.007 0 40 FKAB C/C=C\C(=O)N(c1ccc(N(C(=O)/C=C/C)[C@@H](C)CC)cc1)[C@H](C)CC 16891913 VCKUTQXWHQGXHO-NZDRJGSUSA-N 356.510 5.102 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 20105418 LCIDOYAOKJOCTG-WWKNUYBVSA-N 363.501 5.082 0 40 FKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc2ccccc2o1 20139676 YBIUCFZJLVFNBL-UHFFFAOYSA-N 367.788 5.091 0 40 FKAB Cc1cc(C)cc(OCc2nnc(SCc3ccc(Cl)cc3)o2)c1 20196978 VTVULFDRPJEQTH-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cl)c3F)ccc2c1 20933384 OPKIEPHIHGKFKI-LBPRGKRZSA-N 357.812 5.383 0 40 FKAB FC(F)Oc1ccccc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 22312951 CZGLUBNJONIMIO-UHFFFAOYSA-N 367.808 5.019 0 40 FKAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(C)cc4C)cs3)c2C)cc1 38651798 PRDTYAKXYLPLOZ-UHFFFAOYSA-N 360.486 5.291 0 40 FKAB Cc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc23)cc1C 44169591 IOZAHVCJOATYRD-UHFFFAOYSA-N 359.473 5.221 0 40 FKAB Cc1c(Br)cc(-c2nc3ccccc3[nH]2)cc1Br 57331910 WXGQICZELFDGLH-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB Fc1ccc([C@H](NCc2coc(-c3cccs3)n2)c2cccs2)cc1 57383585 IUTSDHHFCWWBTI-SFHVURJKSA-N 370.474 5.483 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 59290169 OZRKOQQWVHMMLJ-UHFFFAOYSA-N 370.699 5.467 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCCC2)cc1 59477538 UROPSWDOOZILOR-JQIJEIRASA-N 372.468 5.589 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(C)cc2Br)c1 71761395 GPSQIMXJBPYRNG-UHFFFAOYSA-N 367.337 5.288 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(F)cc1Br 71761783 KDQPQIQCCCYWIT-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB Cc1c(CSC(C)C)cccc1NC(=O)c1cccc(OC(F)F)c1 78877221 WQXXRKFPYQMWSF-UHFFFAOYSA-N 365.445 5.490 0 40 FKAB CC(C)c1nc2cc(N(C)C(=O)CCc3ccc(Cl)cc3)ccc2o1 95465479 APRBVSHLXHUWQX-UHFFFAOYSA-N 356.853 5.200 0 40 FKAB Cc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Cl 226343409 ZCZORHJNTVHYOH-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408596221 QIWKLWPBRSWYGK-UHFFFAOYSA-N 373.692 5.082 0 40 FKAB Cc1ccc(C)c(-c2[nH]c(=Nc3cc(Cl)cc(Cl)c3)sc2C)c1 409049739 YFADOAUHANYSOD-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB Cc1cc(Cc2nc3ccccc3[nH]2)c(C)cc1Cc1nc2ccccc2[nH]1 842898 FHWNIGJJKIXKND-UHFFFAOYSA-N 366.468 5.238 0 40 FKAB O=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 1016831 ANJWYIXDNUDJIM-HNNXBMFYSA-N 353.472 5.193 0 40 FKAB Cc1c(NC(=O)c2ccccc2Cl)cccc1-c1nc2ncccc2o1 1248765 JCDWPLISJQMBBC-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 2181329 NVNUVZCDDDEXCS-UHFFFAOYSA-N 358.437 5.434 0 40 FKAB CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=O)ccc21 3165108 VYZDZFIMDSJCDL-UHFFFAOYSA-N 365.436 5.480 0 40 FKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccccc1Br 3253570 SFNGQQDOVSPKHQ-UHFFFAOYSA-N 367.198 5.568 0 40 FKAB O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccccc2)cc1 3307262 HULPGAMJJZCMHI-UHFFFAOYSA-N 351.427 5.142 0 40 FKAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCC1CCCCC1 4033063 IUQRWRXPDWPYOL-UHFFFAOYSA-N 362.477 5.004 0 40 FKAB Clc1ccc2nc(Nc3ccccc3Cl)cc(-c3ccccc3)c2c1 4059288 OCCHLNXZTLOLFR-UHFFFAOYSA-N 365.263 6.952 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1ccc(F)cc1)c1c(C)[nH]c2ccccc12 4147611 FTBLZYGWFTVHLS-UHFFFAOYSA-N 368.455 6.585 0 40 FKAB Oc1ccc(Cl)c(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 4164966 JIUAOHTYXJINSE-UHFFFAOYSA-N 372.855 6.188 0 40 FKAB O=C(NCc1cccc(Br)c1)c1ccc(-c2cccs2)cc1 4602704 WFPVVQAAJWRPSU-UHFFFAOYSA-N 372.287 5.108 0 40 FKAB Cc1cc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)[nH]n1 5072020 TXWKARNZLGABHL-UHFFFAOYSA-N 374.416 5.029 0 40 FKAB Nc1ncnc2c1sc1nc(-c3ccccc3)cc(-c3ccccc3)c12 5338508 QELNHEUQQHYVTI-UHFFFAOYSA-N 354.438 5.156 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 5602259 JKGIVOIJYANZNY-UHFFFAOYSA-N 350.805 5.215 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 5776586 LWKNMMKQEZCDIP-UHFFFAOYSA-N 352.846 6.175 0 40 FKAB Cc1ccc(C)c(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)c1 6237568 MWSXWTKBAZVFKJ-UHFFFAOYSA-N 360.841 5.472 0 40 FKAB Cc1ccn2c(NC(=O)c3ccc(Cl)cc3)c(-c3cccs3)nc2c1 6971123 FCSZETIOZHRWNK-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB Fc1ccc(-c2csc(/C=C/c3ccccc3Br)n2)cc1 7141290 RVIQYCFRTHCMOO-JXMROGBWSA-N 360.251 5.882 0 40 FKAB Cc1c(Cl)cccc1/N=C/c1c(OCC(=O)O)ccc2ccccc12 8277703 ZKDIRBRETXTTBI-SSDVNMTOSA-N 353.805 5.016 0 40 FKAB Cc1cccc(OCc2nc(C)c(C(=O)Nc3cc(C)ccc3C)s2)c1 9251008 KSAPFIJJAJQTOL-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 12569638 RLAFKEIOHAFRAM-UHFFFAOYSA-N 373.481 5.285 0 40 FKAB Fc1cccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 13281840 BZEUJZUAMRICJH-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CC(C)CSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12 13640183 BOMBQEDUPIGGKO-UHFFFAOYSA-N 368.893 5.346 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Br)cc1 13672055 OQFZDDRNKMUTHW-UHFFFAOYSA-N 360.251 5.023 0 40 FKAB CC(C)C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 20492467 BMEUYFGQUSQEES-YHBLIXGUSA-N 359.469 5.724 0 40 FKAB Fc1ccc(-c2cc3c(SCc4ccc(Cl)cc4)nccn3n2)cc1 23126583 SJPJPFYZZBXXEK-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB Cc1nc(COc2ccc(CN[C@H]3CCCc4ccccc43)cc2)cs1 24081584 WOPGYJBWBVQHQI-QFIPXVFZSA-N 364.514 5.198 0 40 FKAB C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 26440143 IWJZDETVJSSMLD-LPPUWEFUSA-N 370.540 5.396 0 40 FKAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)o1 27281649 OPZVCTMLYZCOHJ-YVEFUNNKSA-N 368.864 5.343 0 40 FKAB CCCc1cc(Nc2ccc(C(C)C)cc2)n2ncc(-c3ccccc3)c2n1 27585189 SZCXMAPUEUNGSC-UHFFFAOYSA-N 370.500 6.216 0 40 FKAB O=C(c1ccccc1C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 28210663 SLMTUCLWGCJJAC-UHFFFAOYSA-N 369.386 5.548 0 40 FKAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 30006561 FAGSNOAFTCJDHT-ZDUSSCGKSA-N 367.836 5.329 0 40 FKAB Cc1ccc2nc(-c3cccc(O)c3)c(Nc3cccc(Cl)c3C)n2c1 35616298 DMSBLGULMOROCX-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(Cl)cc1Cl 35647452 YJBRYZCKCGDICR-VGOFMYFVSA-N 367.232 5.024 0 40 FKAB O=C(Cc1ccccc1F)N[C@@H](c1ccccc1)c1cc2ccccc2o1 36395561 MLUDHNUVUDOFBL-QHCPKHFHSA-N 359.400 5.020 0 40 FKAB COc1cc2c(C(C)=O)c(C)n(-c3ccc(Cl)cc3)c2cc1C(C)=O 39178324 ZOMQUKHTSIKFCK-UHFFFAOYSA-N 355.821 5.006 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)c(C)c1 39968754 LXIXZORUNXNDKZ-KRWDZBQOSA-N 350.890 5.534 0 40 FKAB Cc1nc(-c2ccc(NC(=O)c3oc4c(F)cccc4c3C)cc2)oc1C 40156311 UANOHIQKWSPGEP-UHFFFAOYSA-N 364.376 5.404 0 40 FKAB O=C(Nc1ccc2nc(-c3ccccc3F)oc2c1)c1ccc(Cl)cc1 41085996 JYIXOVJOLQQGJY-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB COc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 41156469 QNOFAMIVAFFVPQ-UHFFFAOYSA-N 350.201 5.309 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 44849075 IFJSHEHUAHUYBP-QGZVFWFLSA-N 353.506 5.193 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1N 57340675 JZVWIPXXPBZRHH-UHFFFAOYSA-N 351.258 5.351 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl 71761677 NLMFJVSCGZGOKV-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72229845 DZPCONRZEQYWNS-OAQYLSRUSA-N 365.860 5.236 0 40 FKAB Fc1cc(Br)ccc1-c1nc2cc(Cl)cc(Cl)c2o1 73638237 RMXYXNBVNMHOEA-UHFFFAOYSA-N 360.997 5.703 0 40 FKAB COc1ccc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)cc1OC 78401302 OVWDCXBANQJUEY-UHFFFAOYSA-N 361.228 5.135 0 40 FKAB O=C(NCC1(c2cccs2)CCCC1)c1ccccc1SC(F)F 96120207 VGHUHXSTZJWNPJ-UHFFFAOYSA-N 367.486 5.305 0 40 FKAB Cc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)/C=C/c2ccccc2)c1 97105046 NESNVEGKILLIDL-RFAWQRTRSA-N 366.464 5.386 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219613095 HFCGRRGLNSAMPF-PMACEKPBSA-N 359.897 5.382 0 40 FKAB Cc1ccc(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 222793446 BWMJOGPUJVXRBN-UHFFFAOYSA-N 371.893 5.047 0 40 FKAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C 223009412 YNAXBLDZTZGXDS-QGZVFWFLSA-N 365.517 5.497 0 40 FKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl 225541635 XJIIUBDSXYRRRT-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB CCOc1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225862183 GFUBCYYKWRVRML-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1O 226242572 BKAOEHQGWNYOSA-UHFFFAOYSA-N 362.267 5.013 0 40 FKAB O=C(CC1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257250003 JKOWYCZVFZSYJB-FQEVSTJZSA-N 370.468 5.038 0 40 FKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(C)c(C)c1 408834641 LMTLBNUJZXIMNM-UHFFFAOYSA-N 364.514 5.940 0 40 FKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1Cl 409022970 AUGIEUHWKJLNDL-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB CC(C)Cn1c(SCCCc2ccccc2)nnc1-c1ccccc1 409102217 VHXGHRQKGYZBFT-UHFFFAOYSA-N 351.519 5.326 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 409117484 OUVIIGCPGFLUSU-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(OC)cc2)cs1 929078 CQMOYVQJCMNSRG-UHFFFAOYSA-N 372.877 5.139 0 40 FKAB c1ccc([C@H]2O[C@H](c3ccco3)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 1019526 OINGAVBNLZRPHH-UBFVSLLYSA-N 367.448 6.298 0 40 FKAB CC1=Nc2ccccc2Sc2c1c(=O)n(-c1ccccc1)c1ccccc21 1060990 FEMGMWMNSZERCZ-UHFFFAOYSA-N 368.461 5.596 0 40 FKAB biogenic COc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)c(OC)c1 1098161 WDUOCTATPLIRIW-NRFANRHFSA-N 365.454 5.655 0 40 FKAB Cc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12 1261343 ZGFHCBZEJWYMNA-UHFFFAOYSA-N 373.728 5.412 0 40 FKAB Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1 1596319 ARGGMTMMHAJLLT-UHFFFAOYSA-N 366.482 5.089 0 40 FKAB CCCCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 1776876 SJUTWAFCTPELDO-UHFFFAOYSA-N 368.385 5.209 0 40 FKAB Cc1cc2nnc(SCCOc3ccccc3Cl)n2c2ccccc12 1924338 IMQHKKGBWWWVCW-UHFFFAOYSA-N 369.877 5.015 0 40 FKAB Cc1ccc(-c2cc(C(=O)Oc3ccccc3)c3cccc(C)c3n2)cc1 2078931 LQQHDRYWVLUVBM-UHFFFAOYSA-N 353.421 5.738 0 40 FKAB Clc1ccc2c(c1)C[C@@H](NCCCN1CCCC1)c1ccccc1S2 2193143 AUABFJWMUPUBNY-LJQANCHMSA-N 372.965 5.164 0 40 FKAB CCCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1CC 2337423 MXUJKJZUUKEZMX-UHFFFAOYSA-N 368.864 5.080 0 40 FKAB CC(C)(C)c1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 2376671 MTXYPKVAFQKRFY-UHFFFAOYSA-N 368.893 5.471 0 40 FKAB CCOc1ccc(N2C(=O)S/C(=C\C(C)=C\c3ccccc3)C2=O)cc1 2400073 YXVXCRWLOOYZDZ-FQHLDWHWSA-N 365.454 5.273 0 40 FKAB COc1ccc2nc(Nc3nc4ccc(C(C)C)cc4s3)sc2c1 4137706 MCEDLIZSVFXJEG-UHFFFAOYSA-N 355.488 5.782 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(F)cc3)N=C(O)CCN21 4817308 XZUCFKHSEXXKSE-YUAYGMJFSA-N 350.437 5.002 0 40 FKAB O=C(/C=C\c1ccccc1)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12 5029846 DMQRESCOMHWLMW-DJKHGBOQSA-N 364.448 5.512 0 40 FKAB Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5459213 IPWMWDCHILCMCG-TZIWHRDSSA-N 359.860 5.836 0 40 FKAB COc1ccc(N(C)C(=O)c2ccccc2SCc2ccccc2)cc1 5509943 KRLKOMCUURAXRI-UHFFFAOYSA-N 363.482 5.264 0 40 FKAB CC[C@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5554368 LPSJKMPASVIXKK-ZDUSSCGKSA-N 370.928 5.866 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 6396926 LYLURVDOVMHSMS-INIZCTEOSA-N 368.477 5.245 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 6890330 ROYYDNBHJUERMK-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB CCOc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)cc1 8254513 LHAKEXPWBZIJMY-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1-c1ccccc1 10670465 ALALDMWWVLFBLN-OAHLLOKOSA-N 351.833 5.413 0 40 FKAB Cc1c(Cl)cccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11127530 SGXXDCKXWYKSOS-HXUWFJFHSA-N 370.905 5.028 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)cc2F)c2ccccc2)cc1 16243024 FBERIPNEWTXCDC-FQEVSTJZSA-N 368.452 5.349 0 40 FKAB Fc1ccccc1COc1ccc(Cl)cc1CNCCc1ccccc1 16479349 OMSSIDFBBNAFKV-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 20456769 KHAYHVGLYNGNTR-IBGZPJMESA-N 361.938 6.192 0 40 FKAB Cc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c(C)c1 22462917 UQQRCPRYEUNEMO-UHFFFAOYSA-N 361.847 6.978 0 40 FKAB CC(C)(C)c1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 27744952 NMCIWNQBHUDWTN-UHFFFAOYSA-N 350.487 5.288 0 40 FKAB CC[C@H](NC(=O)c1cc(C)nc2onc(C)c12)c1ccc([C@H](C)CC)cc1 36613780 ZKJWUJGXYDNURJ-YJYMSZOUSA-N 365.477 5.234 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc2sccc2c1 40024202 BIYJXJYPFKWDSU-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB COc1ccc(CN(Cc2ccccc2Oc2cccnc2)C2CC2)cc1 58023388 IMGSCTPQMCMLPH-UHFFFAOYSA-N 360.457 5.047 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 72215146 QDFIDWLGSAYJAM-WMZOPIPTSA-N 361.530 5.169 0 40 FKAB c1ccc(CN2CCC[C@H]2c2cccnc2SC2CCCCC2)cc1 72217291 DPHTVSJKGMPQBX-NRFANRHFSA-N 352.547 5.844 0 40 FKAB c1ccc(CN2CCCC[C@H]2c2cccnc2SC2CCCCC2)cc1 72217328 OZLVOGNJRPRSRL-QFIPXVFZSA-N 366.574 6.234 0 40 FKAB O=C1N=C(Nc2cc(Cl)cc(Cl)c2)/C(=C/c2cccnc2)S1 72400930 QMRULFYIPBLTMO-PQMHYQBVSA-N 350.230 5.107 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1 78579497 VDKDGGAAWAQPCH-LJQANCHMSA-N 359.469 5.017 0 40 FKAB Cc1cc(C)n(-c2ccc([C@H](C)N[C@@H](C)c3c(F)cccc3F)cc2)n1 95462664 KIVWDYWOZVVRFT-HOTGVXAUSA-N 355.432 5.179 0 40 FKAB C[Si](C)(C)c1c(Cl)c(Br)cc(C(F)(F)F)c1Cl 195963996 QSXPRMGRQOYHOI-UHFFFAOYSA-N 366.080 5.320 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(C)C 223781484 AUQNYKHAGGTPNT-JOCHJYFZSA-N 351.490 5.485 0 40 FKAB O=C(CCc1ccccc1F)Nc1ccccc1Sc1ccccc1 225828506 CVODYITUUDCBQN-UHFFFAOYSA-N 351.446 5.548 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 408619909 DDRCQSTWPWQGBH-UHFFFAOYSA-N 367.832 5.702 0 40 FKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C)cc1 408680064 YIIVVGODLAHUJH-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB Fc1cccc(COc2ccc3ccccc3c2CNc2ccccc2)c1 409110136 SDZYLSUWTVEYKX-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB Cc1cccc(NCc2c(OCc3ccccc3)ccc3ccccc23)c1C 409117743 MNGGMUBCYWIACD-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Cc1cc2cc(C)c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nc2cc1C 902913 RWSQMJCULYMPPR-CALCHBBNSA-N 356.535 5.042 0 40 FKAB Cc1cc(OP2(=O)Nc3ccccc3-c3ccccc3N2)ccc1Cl 1575831 DZVPMVMAUUXIBN-UHFFFAOYSA-N 370.776 6.340 0 40 FKAB CCCCOc1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 1906274 UEVJHFLTKZSUQD-JXAWBTAJSA-N 374.278 5.240 0 40 FKAB CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849608 MJCAQBZKCWIVPS-QAEIPIRZSA-N 374.565 5.353 0 40 FKAB Clc1ccc2c(c1)N=C(SCc1ccccc1Cl)CCS2 4042687 LVKBFDHPRMQQEL-UHFFFAOYSA-N 354.327 6.453 0 40 FKAB Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 4523596 WFCYBQWVXXBFHV-UHFFFAOYSA-N 373.839 6.083 0 40 FKAB Cc1cc2c(c(=O)o1)[C@H](c1ccccc1Cl)Sc1ccccc1N2 4747380 JYYRIMAUEVNEGP-SFHVURJKSA-N 355.846 5.540 0 40 FKAB Cc1[nH]c(SCc2ncc(-c3ccccc3)o2)nc1Cc1ccccc1 5312504 RIPWJJJMLXZZBR-UHFFFAOYSA-N 361.470 5.256 0 40 FKAB Cc1nn2c(Nc3ccc(F)cc3)cc(C(C)(C)C)nc2c1-c1ccccc1 5575734 VXTBUARRNGEDKA-UHFFFAOYSA-N 374.463 5.885 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(N)c3)c2c1 5687539 KPPHIGPYPMBKGM-UHFFFAOYSA-N 367.452 5.353 0 40 FKAB COc1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 8843819 KESDYMFVYNIFGD-UHFFFAOYSA-N 355.821 5.180 0 40 FKAB CO[C@]1(C)Oc2cc3c(cc2[C@H](c2cccc4ccccc24)[C@H]1C)OCO3 8925712 SONOGXSWMVNWJK-JRVVOHRXSA-N 362.425 5.092 0 40 FKAB CCCCn1nc(NC(=O)C2CCCCC2)c2cc3cccc(C)c3nc21 9356624 HNKPRZIDPOAWAN-UHFFFAOYSA-N 364.493 5.212 0 40 FKAB O=C(NCCSC1CCCCC1)c1ccccc1OCc1ccccc1 13687157 UAPVWSXGLUPCGO-UHFFFAOYSA-N 369.530 5.061 0 40 FKAB CCCCNc1nnc(SCc2csc(-c3ccsc3)n2)s1 14641815 XDOURCZXGHXVOT-UHFFFAOYSA-N 368.578 5.227 0 40 FKAB O=C(Nc1sc2c(c1[C@H](O)c1ccccc1)CCCC2)c1cccs1 15082990 UGVGHGJFWIBCOQ-GOSISDBHSA-N 369.511 5.022 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C)cc1 17073087 ZPKYREJJMQDBGL-UHFFFAOYSA-N 352.481 6.440 0 40 FKAB Cc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1 17207206 JJNKNCSHYKNORL-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB O=C(O)c1cc(NC(=O)c2cccc3ccccc23)c(Cl)cc1Cl 20138897 NJZIYVKURBVNAO-UHFFFAOYSA-N 360.196 5.097 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(COc2ccc3ccccc3c2)o1 24016775 LWSVPRRBTVLTLJ-UHFFFAOYSA-N 361.372 5.403 0 40 FKAB CCCC(=O)c1cn(CCCOc2ccccc2Cl)c2ccccc12 33663302 FJIXKYRJDUBGBM-UHFFFAOYSA-N 355.865 5.747 0 40 FKAB CCCN(Cc1c(C)noc1C)[C@@H](C)c1ccccc1Br 59389262 LKABLZIUZQYMHO-ZDUSSCGKSA-N 351.288 5.027 0 40 FKAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)s1 65551249 QLUIHXLOFIDXRA-FQEVSTJZSA-N 355.890 5.158 0 40 FKAB CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213557 VVKJABXTCUZHES-XLIONFOSSA-N 367.493 5.156 0 40 FKAB NC(=O)[C@H](Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccccc1 84562642 YDPPKRHXYZELBF-LJQANCHMSA-N 370.374 5.011 0 40 FKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H]1O[C@@H](O[C@@H]3C[C@@H]4[C@@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@@H]12 100939466 VUDXCBLBKXFCNA-FTPITGFESA-N 374.565 5.378 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc(OC(C)C)cc2)c2ccccc2)cc1 216308161 XQCXCLFWBKCXFW-HSZRJFAPSA-N 359.469 5.302 0 40 FKAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c1 224007397 GXBRBLNFNFVSHC-UHFFFAOYSA-N 371.525 5.026 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 225333050 VORPABAALUUMNG-UHFFFAOYSA-N 352.305 5.011 0 40 FKAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(C)cc1C 225361830 XYJPELYDLMFGMU-IBGZPJMESA-N 364.316 5.810 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1Cl)CC(C)(C)O2 225672598 FDSMYTDRQZJHIQ-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB C[C@H](CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(C)(C)C 575360348 BXROJDFWHNSPOX-SNVBAGLBSA-N 354.334 6.369 0 40 FKAB CC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969512 APJSFVYNUFVNNK-UHFFFAOYSA-N 371.527 5.368 0 40 FKAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc2ccccc12 677022 KIUBWQBRPJOYTI-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl 753214 WBEBMRZNBAJGJN-UHFFFAOYSA-N 371.072 5.101 0 40 FKAB Brc1ccc2nc(-c3ccccc3)c(NC3CCCCC3)n2c1 904200 QOMDJRDJXNOILO-UHFFFAOYSA-N 370.294 5.508 0 40 FKAB COc1ccc(-c2c/c(=N\c3cccc(C)c3)c3ccccc3o2)cc1OC 1322839 GKQHZEDBTIADHL-LKUDQCMESA-N 371.436 5.658 0 40 FKAB biogenic Cc1ccccc1NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C 1445572 NVXVTFFHRVUKQA-GBLLSMIGSA-N 353.465 5.477 0 40 FKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(Cl)cc2)cc1 2176373 RXBCGGDBSNXGJC-UHFFFAOYSA-N 362.904 5.982 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(N(C)C)cc3)cc(-c3ccccc3)n2)o1 2266718 HLMKGWPPTWRQQH-UHFFFAOYSA-N 354.453 6.050 0 40 FKAB Cc1cc2c(cc1C)CSC(c1ccc3ccccc3c1O)SC2 2267454 USUYEDOCOSWADU-UHFFFAOYSA-N 352.524 6.341 0 40 FKAB c1ccc(CNc2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)cc1 2646134 UIOLTDDMTXVBLX-UHFFFAOYSA-N 354.478 5.993 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 3219698 UDLZCAJVKMWIGI-UHFFFAOYSA-N 372.877 5.341 0 40 FKAB C[C@]12CC[C@H](Cl)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 3843851 JWVPKJKRSPZPMN-HMGBVJPOSA-N 350.930 5.300 0 40 FKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccccc1)c1ccccc1 3846321 XWATVSSARMZAFX-QLBRKBSLSA-N 364.529 6.017 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NCC[C@]4(C)[C@@H]3CC[C@@]21C 4023258 SAWPPQLIWVGNDH-QEOLLVQHSA-N 359.642 6.670 0 40 FKAB CCCCc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137721 ZNIXOJPXDGSIDY-UHFFFAOYSA-N 357.479 6.131 0 40 FKAB Cc1oc2ccc(OC(=O)c3ccc(Cl)cc3)cc2c1C(=O)OC(C)C 4247235 PKZNYNWJWYDPQW-UHFFFAOYSA-N 372.804 5.179 0 40 FKAB biogenic O=C(/C=C/c1ccc(Cl)cc1Cl)n1c2ccccc2c2ccccc21 6995441 ABADYVPUHHBUQE-ZRDIBKRKSA-N 366.247 6.455 0 40 FKAB COc1ccc(OC)c(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 7668961 KDFFSVWMIXEAPF-JLHYYAGUSA-N 367.489 5.603 0 40 FKAB COc1ccc(/C=C(/C(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 8116156 DKABPVZCNDZMEA-CPNJWEJPSA-N 365.379 5.153 0 40 FKAB COc1ccccc1[C@@H](CCN[C@H](C)c1cccs1)c1ccccc1 9547981 YCLCFBSSPRTVOW-MJGOQNOKSA-N 351.515 5.630 0 40 FKAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@@H](C)CC4)c(C)c2cc1Cl 11915503 IDFJHRHXBNBNOJ-VIFPVBQESA-N 358.825 5.068 0 40 FKAB Cc1ccc(/C=C2\C[C@H](C)CC3=C2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 13496599 ZNYUDPJGWDILSJ-NIHKJWTPSA-N 374.553 5.590 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13668624 USLQFMAWKQFDPL-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB O=C(NCC1(c2cccs2)CCCC1)c1ccc(C(F)(F)F)cc1 13803113 ZRZSPFJSZSEDFD-UHFFFAOYSA-N 353.409 5.009 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C 14651857 GHWAQXMAPBIKHY-UHFFFAOYSA-N 362.267 5.107 0 40 FKAB O=C(/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 14658378 CHOLQJRIMZGPNC-QHKWOANTSA-N 369.505 5.338 0 40 FKAB biogenic,in-vitro CCN1C(=O)[C@@H](Cc2ccc(-c3ccccc3Cl)o2)c2ccccc21 15017965 YRLCGORMHNAKHL-KRWDZBQOSA-N 351.833 5.293 0 40 FKAB Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccccc1 16480553 DLXJCELLJYWVEN-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB CCOc1ccccc1C(=O)N(CC)CC12CC3C[C@H](CC[C@H](C3)C1)C2 16778716 FFMGTJAVZVQBMO-VCALTZMKSA-N 355.522 5.154 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 19074424 ILJNYBAGSHSULB-UHFFFAOYSA-N 350.368 5.345 0 40 FKAB CC(C)c1cccc(C(C)C)c1OCCCCCCN1CCN(C)CC1 22037105 BMUOHQOTDYEGDY-UHFFFAOYSA-N 360.586 5.120 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1Cl 32692253 NNZNOBGQWXXIBZ-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB S=C(c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCCC1 33663159 SKBYWAXMXFFAFO-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccc3ccccc23)[nH]n1 44838196 WDCJTRKTWHEHSS-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccccc3Cl)C2=C(O)C1 100715475 IFJOMSRREYHFGG-HXUWFJFHSA-N 352.865 6.211 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224341720 IBMSDTUDZXBNHI-MRXNPFEDSA-N 357.519 5.214 0 40 FKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc2sncc2c1 225172271 OYTHAUCJZALIDV-UHFFFAOYSA-N 368.314 5.090 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1cc(C)ccc1C 225624296 FWELDOXCRDHLAS-UHFFFAOYSA-N 356.535 5.011 0 40 FKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 225698240 UDQYBDXYVLGFQZ-OAQYLSRUSA-N 362.498 5.080 0 40 FKAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C(C)C)cc1 225702295 DAMDHEZIPNOFBA-HXUWFJFHSA-N 354.519 5.183 0 40 FKAB CCO[C@]1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225718361 VOUFRAKWUHMVCS-FXCLAUTBSA-N 361.526 5.405 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225905256 QUJSLNLKYNZKRR-JOCHJYFZSA-N 372.509 5.192 0 40 FKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc1 408788340 CGWUXAXZXJPQCR-PHJXOXRPSA-N 366.530 5.146 0 40 FKAB CC(=O)Nc1ccc(NC(=O)C[C@H](C)CCC=C(C)C)c(C(F)(F)F)c1 567918734 IXUGJBFXJKIJNI-CYBMUJFWSA-N 370.415 5.375 0 40 FKAB Clc1cc(-c2ccccc2)cc2c1[nH]c1ccc(-c3ccccc3)cc12 2362797642 BWWVAZMVKWXMER-UHFFFAOYSA-N 353.852 7.309 0 40 FKAB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccccc1F 1151402 MEVNNFWATKCSRK-ZSOIEALJSA-N 367.829 5.024 0 40 FKAB CCOc1ccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 1281068 HRGZIFBPLYCZLD-HSZRJFAPSA-N 357.457 5.472 0 40 FKAB COc1ccccc1C1=N[C@@H](c2c(Cl)cc(Cl)cc2Cl)N=C1C 1386254 QPXXWHAEAOSNHZ-KRWDZBQOSA-N 367.663 5.618 0 40 FKAB O=C(CCN1CCCCC1)c1cc(-c2ccccc2)oc1-c1ccccc1 1644120 VYBXSGYQJZXXNH-UHFFFAOYSA-N 359.469 5.672 0 40 FKAB O=c1c(-c2ccccc2)coc2cc(OCc3cccc(Cl)c3)ccc12 2423589 XUTZHZGOKFUCBP-UHFFFAOYSA-N 362.812 5.692 0 40 FKAB biogenic Cc1cccc(NC(=S)Nc2ccccc2Sc2ccccc2)c1 3256396 HBXMXPNNOLQETJ-UHFFFAOYSA-N 350.512 5.955 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 5073082 ANXXKNBHDPVURP-UHFFFAOYSA-N 369.465 5.677 0 40 FKAB CCCCN(CCCC)CC(C)(C)[C@@H](O)c1ccc(OC)c2ccccc12 5973403 MOCVRJMWAFRPGX-QHCPKHFHSA-N 371.565 5.810 0 40 FKAB Clc1cc2c(c(CSC3=Nc4ccccc4CS3)c1)OCOC2 6588231 CMGSSPPZTPSBHI-UHFFFAOYSA-N 363.891 5.374 0 40 FKAB Cc1nc2ccc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2s1 6668212 YSHSHKAMYBCPDS-AWEZNQCLSA-N 352.503 5.545 0 40 FKAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CC3)c2c1 6757868 HZHXSXMCOVMKQE-UHFFFAOYSA-N 373.408 5.172 0 40 FKAB biogenic CCc1ccc(C2=NN=C(c3ccc(F)cc3)c3cc(OC)ccc3N2)cc1 6821905 ACFZIAKOLLDNKZ-UHFFFAOYSA-N 373.431 5.021 0 40 FKAB C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1cc2ccccc2o1 6879383 BIMLEPXGAAKYQS-QGZVFWFLSA-N 356.421 5.947 0 40 FKAB Cc1cc(C)c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 6903376 WKKVVSBNYFNHNS-UHFFFAOYSA-N 372.493 5.684 0 40 FKAB CCSc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 7424176 KYSZOQXTOHLGCG-UHFFFAOYSA-N 373.481 5.594 0 40 FKAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1nc2ccccc2s1 8071634 GUNMBZLPCXWOTB-HNNXBMFYSA-N 368.527 5.214 0 40 FKAB O=C(CCc1cccs1)N1CCCC[C@H]1c1nc2ccccc2s1 8394271 XLSUYUJJXRJDCV-INIZCTEOSA-N 356.516 5.044 0 40 FKAB CC(C)Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 12521847 URAMTWGBRSPYLZ-UHFFFAOYSA-N 365.289 5.137 0 40 FKAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Cl)c1Cl 12812884 SIBDVVOPEBNARG-SGTLLEGYSA-N 363.288 5.061 0 40 FKAB COc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1Cl 14118144 PVIIOSWGEUXYFW-UHFFFAOYSA-N 370.861 5.147 0 40 FKAB O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1cccs1 15109252 MUYSLLLNXBRLMS-UHFFFAOYSA-N 367.495 5.172 0 40 FKAB CCC[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 15318053 ZPUSRYDZNGSVCS-CQSZACIVSA-N 353.796 5.464 0 40 FKAB Clc1ccc(COc2ccccc2CNCc2ccccc2Cl)cc1 16449776 KMKMDWUEAZRZPV-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3cccs3)ccc12 16993286 KUNOSCBSKHUVHI-UHFFFAOYSA-N 361.422 5.286 0 40 FKAB biogenic O=C(c1cccs1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19342712 HGJDPZNEVDYZIC-QGZVFWFLSA-N 370.449 5.300 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(C)cc1C 20041814 VROSTPNKRYMLLB-AVRDEDQJSA-N 361.485 5.491 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)NC1CCC(c2ccccc2)CC1 20539463 XSHFCXVCWFVGOA-UHFFFAOYSA-N 362.395 5.553 0 40 FKAB COc1ccc(CN(Cc2ncc(-c3cccc(Cl)c3)o2)C2CC2)cc1 20951807 HBPXLDGAWAUQML-UHFFFAOYSA-N 368.864 5.168 0 40 FKAB CCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCCCC2)cc1 22756392 QBCOVRXTJHPUSW-UHFFFAOYSA-N 351.450 5.096 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1cccc(Cl)c1Cl 23411063 IUGOOCMMIILXTA-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB FC(F)Oc1ccc(/C=C/c2nc3ccccc3o2)c(OC(F)F)c1 23986980 BZECVWUQVZQDGQ-SOFGYWHQSA-N 353.271 5.201 0 40 FKAB C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(F)c(F)c1 24353791 OYVSRYMDDFWZQV-CYBMUJFWSA-N 373.374 5.174 0 40 FKAB Cc1nc(-c2cccc(NC(=O)C3(c4cccs4)CCCC3)c2)cs1 36709793 YJOOPMPSPQWWGQ-UHFFFAOYSA-N 368.527 5.631 0 40 FKAB CC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 62701852 YJURZQGANZNREU-UHFFFAOYSA-N 366.505 5.249 0 40 FKAB Cc1cc(C)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(C)c1 71760789 LSVBUBWTHPSLQR-UHFFFAOYSA-N 354.397 5.319 0 40 FKAB CC(C)Oc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 78578203 MGJWAMYRXXXGJV-UHFFFAOYSA-N 367.873 5.138 0 40 FKAB O=C(O)c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1 98175452 QTRUTHOPVZSHDN-UHFFFAOYSA-N 368.816 5.196 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 219510058 IQFDCIKSJUIWSC-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB O=C(CCc1ccccc1F)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 222820941 CPYOVDYCFGBBND-HXUWFJFHSA-N 367.464 5.101 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1OC(C)C 223148549 KYNUPYKVHKCVDN-NRFANRHFSA-N 367.489 5.149 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223247373 BSMJZGUEGQENFN-VFNWGFHPSA-N 371.908 5.172 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 223412449 BDSGIPSWDOOHDY-OAHLLOKOSA-N 361.466 5.846 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465481 SWAGHTVUODJJRW-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225868693 KUCFTBAWAMRGLY-UHFFFAOYSA-N 372.896 5.364 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3ccccc3Cl)cc2)c1 409116835 MXMSMQVXSAFSNH-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB C[C@H](CC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)CC(C)(C)C 575360529 IHWNLZAPCWKCFA-SNVBAGLBSA-N 354.334 6.369 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 644902 PONCRNGJOKBDMY-UHFFFAOYSA-N 359.347 5.835 0 40 FKAB O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Cl)c3)cc2o1 1934715 OHCXIZFJHGHZSY-UHFFFAOYSA-N 362.812 5.692 0 40 FKAB COc1ccc([C@@]2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1 2063449 QKSWQXUXRQUBIF-SANMLTNESA-N 364.444 6.198 0 40 FKAB CCCCC[C@@H](C)NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2086514 MMCMZEGBVBPOIC-GOSISDBHSA-N 360.501 5.909 0 40 FKAB Cc1ccc(-c2nn3c(-c4ccccc4C)nnc3c3ccccc23)cc1 2359535 OSJZVZFTACPCTH-UHFFFAOYSA-N 350.425 5.228 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(F)cc1 3210721 AUXFLDXGCHQFKS-UHFFFAOYSA-N 373.261 5.570 0 40 FKAB CN(C(=S)Nc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 3287732 BPDRYUBYQPXATQ-UHFFFAOYSA-N 350.462 5.244 0 40 FKAB CCCOc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1 3351841 KYEPRBCJEVRLNP-UHFFFAOYSA-N 363.438 5.372 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1N1CCCCC1 3373993 NQPZRMVPIDVIAU-UHFFFAOYSA-N 363.288 5.165 0 40 FKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc2ccccc12 4135300 QSDXBTJOCBWYAZ-UHFFFAOYSA-N 359.381 5.015 0 40 FKAB O=C(CC1CCCC1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162457 LQJYQFRKVZTJBE-UHFFFAOYSA-N 362.429 5.204 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 4613947 XLWIIFHTZQZGHS-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 4679761 ZDNAMFIRRPYPTP-UHFFFAOYSA-N 366.464 6.278 0 40 FKAB CCc1ccccc1-n1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21 4970153 PORFZALAAVAXAF-UHFFFAOYSA-N 363.464 6.112 0 40 FKAB CCCCOc1cccc(OCCCC)c1C(=O)NCCc1ccccc1 5024271 RJEKFQRINIUDRG-UHFFFAOYSA-N 369.505 5.017 0 40 FKAB CCn1c(SCc2c(F)cccc2Cl)nnc1C1CCCCC1 6356670 QSVFIANNEWOTGK-UHFFFAOYSA-N 353.894 5.431 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCCCC2)c(C(C)C)c1 6616924 NYGOUIGWFLYDRC-UHFFFAOYSA-N 365.583 5.668 0 40 FKAB Cc1cc2oc(NCc3ccccc3)c(-c3ccc(Cl)cc3)c2c(=O)o1 6755549 NNRHCUPQZFWNMI-UHFFFAOYSA-N 365.816 5.627 0 40 FKAB Cc1ccc(Sc2ncccc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 6834204 DMGBTJBBXKUQQA-OAHLLOKOSA-N 366.461 5.171 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCC2=O)cc1 7668603 DSCMFWZSKIYMHR-UHFFFAOYSA-N 364.489 5.313 0 40 FKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1cccs1 8535329 YZEJXMLCYPQMBO-MRXNPFEDSA-N 353.487 5.187 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 9205022 WYCCDMQGWPXOHX-UHFFFAOYSA-N 367.420 5.050 0 40 FKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)CCCCCC4)C1 12610193 FQFPBHLOKLYKPW-CQSZACIVSA-N 351.515 6.340 0 40 FKAB C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2S1 12864005 IYYIQUFAIDCHPQ-GFCCVEGCSA-N 351.393 5.237 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 12979136 VZPCDUPUCFBMNA-ZDUSSCGKSA-N 351.475 5.279 0 40 FKAB CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(C)cc1 13129727 IOPBXWVGCLFARM-ZZEZOPTASA-N 373.319 5.540 0 40 FKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13649203 VGSQCXPOGNHWKM-HRAATJIYSA-N 369.505 5.028 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 13710614 MHDCVKZCKBJGNU-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB Cc1nc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)c2c3c(sc2n1)CCC3 14196836 NAARHGQKSSDSHC-SECBINFHSA-N 368.433 5.110 0 40 FKAB c1ccc2oc(-c3nc4ccccc4nc3-c3cc4ccccc4o3)cc2c1 16525741 YSPIRIHOCVEHNW-UHFFFAOYSA-N 362.388 6.456 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(Cl)cc1 17315196 OLGIOGQAKIOFOF-HNNXBMFYSA-N 353.897 5.052 0 40 FKAB CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 20451695 FVIAOANOXXJRMP-JUALLIRVSA-N 351.490 5.273 0 40 FKAB COc1ccccc1C(=O)N(Cc1cccs1)c1ccccc1Cl 27989670 AQXAHLASKFTBAW-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB O=C1C[C@H](c2ccccc2)S[C@H](c2ccccc2)/C1=C/c1ccccc1 28617241 APOLUKMMVZLGCM-YSXQIUAXSA-N 356.490 6.259 0 40 FKAB Cc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 40142976 PYWRKOKHVFETGD-UHFFFAOYSA-N 363.642 5.145 0 40 FKAB CN(Cc1csc2ccccc12)C(=O)Nc1nc2ccccc2s1 58521842 RCDKQEOXADGLNL-UHFFFAOYSA-N 353.472 5.175 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)Nc3c(Cl)cccc3Cl)ccc2c1 68755554 WXMDASIKKHLKNZ-GFCCVEGCSA-N 374.267 5.897 0 40 FKAB Cc1[nH]c(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)nc1-c1ccccc1 95468302 YPCVPHLYZATDOG-UHFFFAOYSA-N 368.358 6.331 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CN(C)C(=O)c5ccccc5)(C4)C2)C3)cc1 101132820 ALCLDLXLAWVOCS-ITYMFSOSSA-N 373.540 5.605 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)OCC[C@@H]1CC[C@@H]2C[C@@H]1C2(C)C 104176528 WREMQSJLLUEZTM-UXLLHSPISA-N 350.886 5.033 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 216354814 DMTXSHRWWFQWKQ-QRWLVFNGSA-N 351.421 5.014 0 40 FKAB O=C(COc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1 222766755 HJCGBQGTQSDHAI-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223984228 HDBHGLAWFRBIBF-UHFFFAOYSA-N 369.467 5.109 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(C)cc1 224465281 HXKTWNXGVRGRHC-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB CCCOCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCC 224706475 JDXQSWAKLWIQRJ-UHFFFAOYSA-N 365.832 5.057 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccccc2F)CCCC1 225515175 SUWCUBWKCDGDLA-UHFFFAOYSA-N 367.464 5.598 0 40 FKAB COC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCC(C)CC1 225641509 KJJCNETTYQYIOZ-UHFFFAOYSA-N 367.489 5.108 0 40 FKAB C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 245225422 UVDKLLVBUOHGPL-OCGHMNHXSA-N 357.460 5.076 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2)c(Cl)c1 409110669 XPTODPDLOGMIJN-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(C)CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409111472 CKFCOQWSVWXYQF-GILFWBMKSA-N 374.528 5.369 0 40 FKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C)c(Cl)c1 953626 RKSLYFGCYDERPH-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB CCc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336622 CDEJUVHUDVUTEL-UHFFFAOYSA-N 370.880 5.029 0 40 FKAB CCCN(CCC)C(=S)Oc1cccc(C(=O)Nc2cccc(C)c2)c1 1421706 UUZRRGOJZNWOMH-UHFFFAOYSA-N 370.518 5.033 0 40 FKAB CCc1ccccc1-n1sc2c(c1=S)-c1ccc(C)cc1NC2(C)C 2291460 VTZFROFGUPBQQQ-UHFFFAOYSA-N 366.555 6.467 0 40 FKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)[C@@H](C)c1cccs1 2344906 IOHZRYDGQFPHSM-FXAWDEMLSA-N 367.514 5.781 0 40 FKAB Cc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)c2ccccc2)c1 3199239 WJZNMJVKMABBAV-UHFFFAOYSA-N 355.846 5.193 0 40 FKAB Cc1nc(NCc2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1 3297677 MIDSMHKWYHBBFS-UHFFFAOYSA-N 365.889 5.932 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)N1CCCCC1 3443553 AJXKDMVUTLCKPR-GOSISDBHSA-N 363.288 5.159 0 40 FKAB O=C(NCC1CCCCC1)c1ccccc1OCc1ccc(Cl)cc1 3455011 DHTXGOZHJLEBOI-UHFFFAOYSA-N 357.881 5.229 0 40 FKAB O=C(NC1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 3661183 VTYVPHGOQIBTRV-UHFFFAOYSA-N 359.922 5.695 0 40 FKAB CN(CCc1ccc(-c2ccccc2)cc1)C[C@@H]1CCCc2cc(O)ccc21 3783992 UTBRFUHMQQIVFL-DEOSSOPVSA-N 371.524 5.654 0 40 FKAB Cc1cccc(OCCCC(=O)NC2CCCCCCCCCCC2)c1 4042322 XAVAONVKFOPLIW-UHFFFAOYSA-N 359.554 5.944 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1-c1ccccc1 5724995 HXTDVZAOQHWKAD-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 5909631 OJMHEEXGMJLVMN-GOSISDBHSA-N 374.484 5.315 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cc(Cl)ccc3OC)sc2c1 6398115 YFSSEMWGPZXSSI-UHFFFAOYSA-N 374.893 5.553 0 40 FKAB CCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 7262407 KYMLOYYMLCNKIS-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB COc1ccc2cc(/C=C(\Cl)c3nc(-c4ccsc4)no3)ccc2c1 7333530 OZNAYKBLLFEDCJ-MFOYZWKCSA-N 368.845 5.697 0 40 FKAB O=C(NCCCn1ccc2ccccc21)c1sccc1-c1ccccc1 9607852 OOGUOFZWXPNDIY-UHFFFAOYSA-N 360.482 5.190 0 40 FKAB C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cc2ccccc2o1 12900256 BASKNTNRNHZGIV-SNVBAGLBSA-N 373.836 5.931 0 40 FKAB O=C1C[C@@H](c2cccs2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 13518348 WCLFZMGZDCHVQX-KRWDZBQOSA-N 371.465 5.075 0 40 FKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13993720 VUYYFZWNZXYHMG-JTQLQIEISA-N 358.652 5.361 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(C)cc3)c3ccccc3o2)cc1OC 16666761 GDEFECMJXJHDMZ-LKUDQCMESA-N 371.436 5.658 0 40 FKAB CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757616 PKQBLXOWLRCKAC-UHFFFAOYSA-N 359.498 5.980 0 40 FKAB Cc1cc2nc(NC(=S)Nc3cccc(C(F)(F)F)c3)[nH]c2cc1C 19074433 BXWIJCFMKSLANZ-UHFFFAOYSA-N 364.396 5.007 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20035961 OIRUDEPJKBNLMF-UHFFFAOYSA-N 359.513 5.644 0 40 FKAB Cc1ccc([C@H](NC(=O)CSCc2ccccc2)c2ccccc2)cc1 20486863 YADMGBARBUPLFN-HSZRJFAPSA-N 361.510 5.134 0 40 FKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 21706715 NCGJVDMBWFZABW-QGZVFWFLSA-N 368.436 5.500 0 40 FKAB O=C(NCc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22071979 WGCRTBDGISPRPH-UHFFFAOYSA-N 372.255 5.062 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1C(F)(F)F 28210685 OFVOTIPCTOALRD-UHFFFAOYSA-N 373.399 6.109 0 40 FKAB O[C@@](/C=C\c1ccccc1)(Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 31773093 LEJPMTCEIUFHGJ-VCLNNIJQSA-N 366.464 5.220 0 40 FKAB Fc1ccc(CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 65330855 QSIVUBDYSXXOID-UHFFFAOYSA-N 358.507 5.682 0 40 FKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 72214641 PSIXEMOOVYWOSZ-GOSISDBHSA-N 361.530 5.026 0 40 FKAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1Cl 85397508 NQTWXXCLIPYDIK-UHFFFAOYSA-N 373.861 5.138 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(C)cc1C 219322005 FLENRKMUEVYWJD-MOPGFXCFSA-N 359.897 5.382 0 40 FKAB O=C(CCc1ccccc1Cl)Nc1ccccc1Oc1ccccc1 220013373 ONVWGXCWDQIKGK-UHFFFAOYSA-N 351.833 5.704 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 223008553 ATHUYXAXJWSWJH-INIZCTEOSA-N 372.679 5.751 0 40 FKAB Cc1cccnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCCC1 224001973 VVTKFEOKNPYLDU-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB O[C@@H](c1ccc2c(c1)oc1ccccc12)c1ccccc1Br 226296569 JICVBQIBJVQCSD-IBGZPJMESA-N 353.215 5.430 0 40 FKAB Cc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1 937951 FRSWBIPUVISLPB-MQSCRBSSSA-N 367.920 5.750 0 40 FKAB COc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1Cl 957083 WIOWMEDZUAXQCJ-SOFGYWHQSA-N 356.636 5.307 0 40 FKAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 1003763 ZUBPPYVENBVDGN-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB COc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12 1006273 PYAINUJZWZVBOV-UHFFFAOYSA-N 368.845 5.813 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)Oc1ccc(Cl)cc1 1393156 DOWBQWLBGCPWSE-UHFFFAOYSA-N 366.578 5.257 0 40 FKAB CC(C)CC[C@@H](CCNCc1ccccc1)c1ccc(OC(C)C)cc1 2453361 OTKKPECJIQHSHR-QHCPKHFHSA-N 353.550 6.174 0 40 FKAB Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 2521566 ICOAEPDGFWLUTI-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro OC(CSCc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 3128409 KCDNZDYWPDVINK-UHFFFAOYSA-N 356.437 5.134 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccc(-c2nc3ccccc3s2)s1 3348328 SNVFSGUMUVNIJP-UHFFFAOYSA-N 354.431 5.416 0 40 FKAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C(C)(C)C)cc1 3521722 STKUSFXIFLRRCA-CQSZACIVSA-N 366.486 5.398 0 40 FKAB CCOc1ccc2nc(Nc3nc4c(OC)cccc4s3)sc2c1 4121603 GCSDEGRPSPMBLG-UHFFFAOYSA-N 357.460 5.057 0 40 FKAB Cc1ccc(Oc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1C 4183608 VSAUWJLSGZCPGG-UHFFFAOYSA-N 366.873 6.421 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c(C)c1 4670974 WTLRAVAUKYXECS-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB CCCCCCOC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC 4683295 BZGXQJVPKYXMDX-SFHVURJKSA-N 362.510 5.797 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1Cl 5676217 JHBAKKNJOUNZCE-UHFFFAOYSA-N 367.232 5.508 0 40 FKAB CCc1cccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)c1 7270334 SRABJUNFGCLNME-UHFFFAOYSA-N 350.487 5.714 0 40 FKAB C[C@H](C(=O)Nc1nccs1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419628 KBWZHKYBGYKCTJ-JTQLQIEISA-N 355.850 5.173 0 40 FKAB O=C(Cc1ccc2ccccc2c1)Nc1nc2ccc(Cl)cc2s1 13972863 XQSCCCUTAJIPQH-UHFFFAOYSA-N 352.846 5.284 0 40 FKAB Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 15544992 SRQVUQYAYUGXJE-UHFFFAOYSA-N 361.470 5.265 0 40 FKAB Cc1ccc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)c(C)c1 19974144 UZRBLDRQIAMJNG-UHFFFAOYSA-N 369.512 5.030 0 40 FKAB Cc1ccccc1NC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 22072518 LPRFYUMEABMOIT-UHFFFAOYSA-N 355.800 5.178 0 40 FKAB CCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F 44137050 ZMZVSCAMMZODSU-UHFFFAOYSA-N 350.493 6.854 0 40 FKAB CCS[C@H]1CC[C@H](N(C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 72305266 DHMWXFMXBOQOSR-SFTDATJTSA-N 368.546 5.045 0 40 FKAB Cc1ccc([C@H]2[C@@H]3C(c4ccccc4)=NC=C[C@@H](c4ccccc4)N23)cc1 104145814 QGYCSPJHNUOMPZ-NDTJKBBYSA-N 350.465 5.478 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 106971262 AXCQFHALASBJCF-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C 118926157 BEDPXTVFPSLUPA-VYPZBVOESA-N 372.593 6.401 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(F)(F)F 222949937 RQMZHADAJKXZTB-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222968247 UFRZBAASZZYXGV-ZWKOTPCHSA-N 365.517 5.334 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1 224454035 YXYINXONDCLGQI-FQEVSTJZSA-N 367.876 5.010 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C 225337720 PBWGUPFRLKTRPL-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225527353 ZVAOUUHMNCLCCJ-UHFFFAOYSA-N 357.881 5.416 0 40 FKAB Cc1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672331 KTXOOBHWCJGXCP-SFHVURJKSA-N 354.519 5.201 0 40 FKAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C(F)(F)F 225834161 YQBSCYOQXYLWGF-UHFFFAOYSA-N 373.415 5.028 0 40 FKAB CCC[n+]1cc(Br)cc(-c2nc3c(C)cc(C)cc3s2)c1 226773375 BXHXRVVECNFVGW-UHFFFAOYSA-N 362.316 5.040 0 40 FKAB Cc1cccc(C(=O)n2c3c(c4cc(Br)ccc42)CCCC3)c1 227158339 ONINDMLGCFKFQY-UHFFFAOYSA-N 368.274 5.280 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1cccc(Cl)c1 409115442 MGRYGBAPNXLJLC-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1 828359 MUVUKLRYQJFDKC-GCJKJVERSA-N 356.469 5.587 0 40 FKAB C=CC(=O)N1c2c(OCC)cccc2-c2c(ssc2=S)C1(C)C 841602 WUWZCAGBOTWEKL-UHFFFAOYSA-N 363.529 5.372 0 40 FKAB Cc1cc(C)c2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C)cc2c1 881262 RIOHJFYOZUPJSG-UHFFFAOYSA-N 370.905 5.544 0 40 FKAB Cc1c(C)c(C(=O)Cc2ccccc2)c(C)c(C(=O)Cc2ccccc2)c1C 1662252 RFDTXAJUAZZFBG-UHFFFAOYSA-N 370.492 5.771 0 40 FKAB CC(=O)C[C@@H]1CCc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12 1722266 PSUHDCHDMUHPFQ-CUNXSJBXSA-N 364.488 6.666 0 40 FKAB Cc1cc(OCc2ccc(C(C)(C)C)cc2)c2c3c(c(=O)oc2c1)CCC3 1797600 YZZFLGOIVNCQKB-UHFFFAOYSA-N 362.469 5.467 0 40 FKAB O=C(NC1CCCCCCC1)[C@H](Sc1ccccc1)c1ccccc1 2086258 OGWNHESQSQFDOO-OAQYLSRUSA-N 353.531 5.749 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 3093836 IQIPZAGCDOTFKZ-UHFFFAOYSA-N 365.043 5.318 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccco1 4681689 ZITFIBIYYVTNTR-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB COc1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2O)c1 6040796 ZPJRFDBNYCTAJP-UHFFFAOYSA-N 353.421 5.797 0 40 FKAB biogenic COc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 6279043 QNALFAIOEOHFPW-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB Cc1occc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 6586830 QXGFWWKALZDKCY-UHFFFAOYSA-N 350.399 5.242 0 40 FKAB Cc1cc2oc(=O)cc(CSCc3cccc(F)c3)c2cc1C(C)C 6600318 XKUFJAVQLXXXIT-UHFFFAOYSA-N 356.462 5.797 0 40 FKAB CCN(CC)C(=O)Cn1cc(SCc2cccc(C)c2)c2ccccc21 6867099 JJYJHIVQDPBDRL-UHFFFAOYSA-N 366.530 5.110 0 40 FKAB COc1cccc(CNC2CCCCC2)c1OCc1ccc(Cl)cc1 8495291 ACWFPFKRIPXALW-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB CCc1ccc([C@@H](NCc2coc(-c3ccc(OC)cc3)n2)C(C)C)cc1 12758290 YFYFSZKCAHEFIR-QFIPXVFZSA-N 364.489 5.400 0 40 FKAB CC(C)c1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 13841062 TYWAKWGVEJJYTK-UHFFFAOYSA-N 354.563 6.866 0 40 FKAB O=C(c1ccc(CSc2nc3ccccc3s2)cc1)N1CCCCC1 17320262 WDQCAIJJGBOMND-UHFFFAOYSA-N 368.527 5.215 0 40 FKAB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(Cl)c(N)c1 19736709 DPDZPRYITSPGLV-SCLBCKFNSA-N 360.885 5.232 0 40 FKAB CCOc1ccccc1CNc1ccc(OCCOc2ccccc2)cc1 19738245 JWIAWJHIHZFHLW-UHFFFAOYSA-N 363.457 5.155 0 40 FKAB CC(C)N1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19802388 KZUYNEYIJRBPII-LJQANCHMSA-N 372.965 5.114 0 40 FKAB O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 19935080 QIWBPXWOWNLHNE-UHFFFAOYSA-N 371.795 5.289 0 40 FKAB C[C@@H]1CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3ccc(F)cc3)c2C1 20672176 IGSQOBDZICLFAR-LBPRGKRZSA-N 369.827 5.173 0 40 FKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccccc4C)c3)oc2cc1C 21578472 UYCZPIYZXLXJCL-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 22072756 BVEZQBXKNCUBRI-UHFFFAOYSA-N 369.827 5.487 0 40 FKAB Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c1C 27580249 FYQZIZVJZXTRLB-UHFFFAOYSA-N 369.461 5.116 0 40 FKAB COc1ccc([C@@H]2NC(c3nc4ccccc4s3)=Nc3ccccc32)cc1 27753515 GTXVIVYZCJJCTB-FQEVSTJZSA-N 371.465 5.076 0 40 FKAB c1ccc(CN2CCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217230 GYKNAWZMBOWBGV-OAQYLSRUSA-N 352.547 5.844 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1OC 223434699 QTOQMKABSMZXFK-LJQANCHMSA-N 373.880 5.024 0 40 FKAB CCC1(CC)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2O1 225462165 QIEAUOCQBIUCRQ-QGZVFWFLSA-N 374.937 5.709 0 40 FKAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@H](C)C1 225833846 VNDFLKZFVOKEKA-GAJHUEQPSA-N 369.505 5.551 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226343328 MTKFONVBAILWDJ-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247420879 REQSLCDUVILJAA-QGCVXUCCSA-N 353.849 5.335 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)c1 257240243 HSRNBOXURNAWIO-VWLOTQADSA-N 372.464 5.687 0 40 FKAB Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1C 408585930 KIEVCNPFKFSMIZ-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(F)cc1 409117213 WZVFHUBLNNGHRC-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB CC[C@H]1Oc2cccc(-c3c(OC)cccc3OC)c2P1C(C)(C)C 1772768970 MOKJPWHEQPXKKI-CPFIQGLUSA-N 358.418 5.405 0 40 FKAB COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 669331 VXQYLSOVEWICFT-FQEVSTJZSA-N 364.832 5.120 0 40 FKAB CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc12 1179071 GMPDEGXYTHPDRC-IBGZPJMESA-N 362.454 5.490 0 40 FKAB O=c1oc2ccccc2cc1-c1csc(Nc2ccccc2Cl)n1 2956137 PHBWKZDAIIRBJK-UHFFFAOYSA-N 354.818 5.314 0 40 FKAB O=C(Oc1cccc(F)c1)c1ccccc1OCc1ccccc1Cl 3278882 QMVOFEZKBPUXJR-UHFFFAOYSA-N 356.780 5.277 0 40 FKAB CSc1ccc(-c2nc3c(C)cccn3c2NC2CCCCC2)cc1 3909907 DGPRZROYAYECFP-UHFFFAOYSA-N 351.519 5.776 0 40 FKAB CCCCN(CC)CCCCCCCCCCN1CCCc2ccccc21 4366805 CLVLHSYFTVSSNG-UHFFFAOYSA-N 372.641 6.682 0 40 FKAB CCCCN(CC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 5066122 YCOQHQQOPAYXQB-UHFFFAOYSA-N 368.550 5.478 0 40 FKAB CC[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1 6489664 DYYUBWSYMCCGPQ-CQSZACIVSA-N 364.297 6.089 0 40 FKAB COc1cccc(Nc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)c1 6624266 GXBQEZPCJUNFBO-UHFFFAOYSA-N 373.408 5.221 0 40 FKAB biogenic CCc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3cccs3)=NN2)cc1 6821895 TVKRXUSOPUWQGR-UHFFFAOYSA-N 373.525 5.868 0 40 FKAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cc2ccccc2o1 8325211 CRCDCSQZDWKTPB-LJQANCHMSA-N 351.402 5.153 0 40 FKAB O=C(c1c(F)cccc1Cl)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188123 RMGANUMAUMJGGU-MRXNPFEDSA-N 368.839 5.047 0 40 FKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13649209 VGSQCXPOGNHWKM-IERDGZPVSA-N 369.505 5.028 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 13708937 FRIFIUAKQLRVJL-ZDUSSCGKSA-N 359.347 5.265 0 40 FKAB S=C(Nc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 13812371 HMFXLWDYWBPJLZ-UHFFFAOYSA-N 354.862 5.941 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1C 14401097 BUMKPTDEUMDZLY-UHFFFAOYSA-N 363.482 5.472 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1c(Cl)cccc1Cl 20481954 BBBHKNIGRMQAFO-HNNXBMFYSA-N 352.261 5.406 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)c1 23742203 BCRAVTTWTBFFRQ-UHFFFAOYSA-N 368.329 5.791 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 25547216 GFHOQCXDABGYAL-MHFBBLOWSA-N 360.538 5.166 0 40 FKAB Cc1ccc(-c2nnc3sc(/C=C/c4ccc(C(C)(C)C)cc4)nn23)cc1 27024494 NPWZJDVCWQNTRH-NTEUORMPSA-N 374.513 5.629 0 40 FKAB CCCCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 27586062 JPMZKSMYHQVTRG-UHFFFAOYSA-N 356.473 5.665 0 40 FKAB Clc1ccc2c(c1)[C@@H](N1CCOCC1)c1cc(Cl)cc(Cl)c1-2 31716943 ZSAJFHMQCNMWHR-QGZVFWFLSA-N 354.664 5.049 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 72214994 GLBJRQHKZBVNLG-SFHVURJKSA-N 361.530 5.170 0 40 FKAB CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2cccc(O)c2)S1 79502151 LQRKTZSVXURBRO-GOSISDBHSA-N 369.877 5.177 0 40 FKAB CCc1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 100273233 NEAZAMGOLAETDW-GAJHUEQPSA-N 352.522 5.212 0 40 FKAB COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100902532 SOLFGTIEYURABM-GBIGGCNCSA-N 361.557 5.467 0 40 FKAB COc1cc(C)c(C(=O)NCCCc2ccccc2Cl)cc1C(C)C 225665761 IVUJRFZBVSFQQW-UHFFFAOYSA-N 359.897 5.143 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787264 KAPMFWKMJBZRJN-LBPRGKRZSA-N 364.283 5.129 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCCC)c(C)c1 225908582 UTDOCKVCSJOVRI-NRFANRHFSA-N 364.530 5.273 0 40 FKAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 248041740 PFCVPDHSSAWHDG-JCGIZDLHSA-N 355.478 5.313 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 868696 LFEIECLGIAFSPH-UHFFFAOYSA-N 367.880 5.211 0 40 FKAB Cc1ccc(NC(=O)c2sccc2SCc2ccc(Cl)cc2)cc1 1393182 MBVRANPVPFEAPW-UHFFFAOYSA-N 373.930 6.255 0 40 FKAB Cc1cc(C)c(OCc2nc(-c3cc(C)nc4ccccc34)no2)c(C)c1 1426593 XGGHEXGXUGOTNU-UHFFFAOYSA-N 359.429 5.097 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1 2081638 INIHNTYIVGXNKX-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 2401555 CKRQNKWKGZWEIN-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB CCSc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 4316702 NWYGUDREABZLMT-UHFFFAOYSA-N 373.481 5.594 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(Cl)cc2)(c2ccccc2)CCO1 4872077 ADNCXHJRTIMDFL-GOTSBHOMSA-N 371.952 5.737 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc23)cc1 4970037 CPVHDLPKGDDRQL-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB CC(C)(C)c1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 5033372 HVBNKMMLTHEGCQ-UHFFFAOYSA-N 372.443 6.526 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 5671679 SFAXFXHEFXGNPT-UHFFFAOYSA-N 366.686 5.697 0 40 FKAB Clc1ccc(COc2ccccc2-c2ccnc(-c3ccccn3)n2)cc1 5771901 DAGSTIIUGKBUIZ-UHFFFAOYSA-N 373.843 5.438 0 40 FKAB CCN(C(=O)Cc1cccc2ccccc12)c1nc2c(C)cccc2s1 6083849 OMOSQNBKARFTIU-UHFFFAOYSA-N 360.482 5.354 0 40 FKAB CCCC(=O)c1cn(CCCOc2ccccc2OC)c2ccccc12 6203109 IRXQZMPPXDNAPR-UHFFFAOYSA-N 351.446 5.102 0 40 FKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(Cc3ccc(Cl)cc3)c12 6285526 UPFWNKWIPNBJDS-UHFFFAOYSA-N 365.782 5.650 0 40 FKAB O=C(Cc1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 6344153 GRGUQHZNRPKOLS-JOCHJYFZSA-N 364.828 5.050 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 6555326 CHORUSAZLHUUCU-SFHVURJKSA-N 359.469 6.031 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 6778034 FMLFQAGWIBPKEH-INIZCTEOSA-N 364.489 6.527 0 40 FKAB c1csc([C@H]2CCCN2c2ncnc3sc4c(c23)CCCCC4)c1 6881423 DHSFXBMEPXDDDP-CQSZACIVSA-N 355.532 5.363 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CC=C(c2ccccc2)CC1 8313283 FQAKHQYNZBOYBY-UHFFFAOYSA-N 357.453 5.195 0 40 FKAB Cc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2Cl)o1 9573867 WXJYQIKMIZRZDT-UHFFFAOYSA-N 358.228 5.355 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 10336803 MMBFOURDCGQZBN-UHFFFAOYSA-N 369.814 6.054 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13649179 QMWFDJJCQMNJMF-SJORKVTESA-N 355.547 5.651 0 40 FKAB c1ccc(-c2nc(Oc3ccc(-c4nnco4)cc3)c3ccccc3n2)cc1 15166308 KKQABWYDHNXBCT-UHFFFAOYSA-N 366.380 5.139 0 40 FKAB O=C(/C=C/c1sc2ccccc2c1Cl)N(Cc1ccco1)C1CC1 29269786 AWJPKVPRTHDYGW-MDZDMXLPSA-N 357.862 5.352 0 40 FKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NC1CCC(c2ccccc2)CC1 35316309 JAIMCRRHMZCMCC-OBQMCRIKSA-N 366.332 5.420 0 40 FKAB CCCOc1ccc(Br)cc1CNc1ccccc1Cl 37210738 AJNDGFONDIHZAG-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB CC[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 48365515 HVNRLNPKOGEHCJ-FQEVSTJZSA-N 356.897 5.142 0 40 FKAB CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215673 PRWFZDQJQHAAFP-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CC(C)[C@H](NC(=O)c1cccc2c1ccn2C(C)C)c1nc2ccccc2[nH]1 96223928 GKCZYQBYOLUALI-NRFANRHFSA-N 374.488 5.226 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1ccc(C(F)(F)F)cc1Cl 98073313 SBHRWVYVGATUDE-UHFFFAOYSA-N 353.771 5.490 0 40 FKAB C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102181155 RETFDUUCTYPBBO-YAMSLAJTSA-N 368.329 5.763 0 40 FKAB C[C@]12CC[C@H](C3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118935620 PJCQKJZWYFPASB-YFZYAMFLSA-N 358.610 6.587 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 222934640 FPDNHDKNKXUNTC-YADHBBJMSA-N 365.517 5.335 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223105937 UEJNKWDFBRMOFN-GCJKJVERSA-N 365.517 5.217 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCSc2ccccc2)cc1C(C)C 223269571 WFAUWMFKRIWZFR-KRWDZBQOSA-N 371.546 5.487 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1C(C)C 223319229 NTOICUMCTIZWHK-MSOLQXFVSA-N 369.505 5.080 0 40 FKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(Cl)c1 224998906 IFKXEEFIPAGNIC-UHFFFAOYSA-N 372.251 6.346 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)C(C)C 225760343 VLXFVJFLHLYQIG-QGZVFWFLSA-N 366.452 5.698 0 40 FKAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc2c(Cl)cccc12 226366058 NMMBWQAAZCWKMF-UHFFFAOYSA-N 363.800 5.143 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 408585837 JEWUUILUZFAPPB-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cccs1 720107 KLSHNQWNFAHPDR-UHFFFAOYSA-N 366.225 5.461 0 40 FKAB c1csc(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1 844667 ANRYAZIPCAKOHX-HXUWFJFHSA-N 365.479 5.835 0 40 FKAB Clc1ccc(-c2ncc(-c3ccc(Br)s3)s2)cc1 1095954 BDOIVCJZSGXCBT-UHFFFAOYSA-N 356.697 5.955 0 40 FKAB O=C(/C=C/c1ccccc1)N1c2ccccc2C[C@H]1c1c[nH]c2ccccc12 1708997 DMQRESCOMHWLMW-ZXYASIKESA-N 364.448 5.512 0 40 FKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\Cc3ccccc3)c2c1 1892489 OGEDJWLPKOQERF-WNAAXNPUSA-N 369.464 5.772 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 1940019 IOVMVLFMJDNGRE-XNTDXEJSSA-N 356.450 5.615 0 40 FKAB CCCCn1c(C)c(CC(Cl)(Cl)Cl)c2c1CC(C)(C)CC2=O 2190702 BDJHLKQSUHQQND-UHFFFAOYSA-N 364.744 5.664 0 40 FKAB CCOc1ccc(-c2cn3nc(-c4ccc(C)cc4)n4c3c2CCCC4)cc1 2245679 WFZFIXBSGQSVHH-UHFFFAOYSA-N 371.484 5.513 0 40 FKAB Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl 2521559 FZFUUSROAHKTTF-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro CCCCCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 2744842 XLKYGIHMSPYSNH-UHFFFAOYSA-N 352.503 5.582 0 40 FKAB c1ccc2c(Nc3ccc(Nc4cccc5ccccc45)cc3)cccc2c1 3018788 AOGDNNLIBAUIIX-UHFFFAOYSA-N 360.460 7.480 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(Cl)c1 3211113 YCAPTTVQKJQBSX-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB CCCCNC(=O)NCc1c(Cl)cccc1-n1cc(C)c2ccccc21 4054825 SKQHVBMHTIOYEK-UHFFFAOYSA-N 369.896 5.192 0 40 FKAB C[C@@H](C(=O)Nc1cc(F)cc(F)c1)c1ccc(-c2ccccc2)c(F)c1 4667796 LBUMKHQTDMIDBX-CYBMUJFWSA-N 355.359 5.513 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1 5936117 XUQYAIDDONTLEJ-UHFFFAOYSA-N 373.843 5.511 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4OCCC[C@]4(C)[C@@H]3CC[C@@]21C 6255742 WDXZKZJDWQVKNV-XRVNDIMOSA-N 374.653 7.487 0 40 FKAB O=C(Nc1ncccc1OCc1ccccc1)Nc1cccc2ccccc12 6898810 ZOSDHIMKMQDBRY-UHFFFAOYSA-N 369.424 5.458 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21 7092871 RFGHXGTYQCSTLC-XWCIJXRUSA-N 359.347 5.230 0 40 FKAB Cc1ccccc1[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 13005387 YVWOERLZGHAROT-FQEVSTJZSA-N 361.514 5.681 0 40 FKAB CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccc(C)c1 13326499 NINZQCSHFZSKAN-UHFFFAOYSA-N 361.873 5.358 0 40 FKAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1F)c1ccccc1 14123879 IPAKKDGKSZKWAQ-JOCHJYFZSA-N 358.416 5.021 0 40 FKAB Cc1c(C(=O)N[C@@H](C)c2cccs2)oc2ccc(Br)cc12 14602673 XBFDQFFWTGAAST-JTQLQIEISA-N 364.264 5.056 0 40 FKAB CCn1c(SCc2ccccc2)nnc1-c1ccc(Br)cc1 19927672 MOOPRTOPDDXZHQ-UHFFFAOYSA-N 374.307 5.020 0 40 FKAB O=C(c1cccs1)N(Cc1cccs1)c1cccc(C(F)(F)F)c1 27792860 HUISBFKWALQXSB-UHFFFAOYSA-N 367.417 5.675 0 40 FKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 33921103 ZOERYLZCLDLETJ-GGYFNBGWSA-N 365.561 6.046 0 40 FKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C1 38834151 OSNQOSQTLZZGFP-SFHVURJKSA-N 358.485 5.324 0 40 FKAB CCOc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccc2C)cc1OCC 48228543 DWDBLDMYHROLGB-MRXNPFEDSA-N 372.534 5.148 0 40 FKAB CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1ccccc1 48264278 CGZWLUVANISIFT-UHFFFAOYSA-N 350.487 5.023 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1OC(F)F 57315733 YIDSBVYMCGKTGL-ACCUITESSA-N 355.340 5.200 0 40 FKAB Cc1cccc(NC(=O)[C@H](C)SC(c2ccccc2)c2ccccc2)c1 58018093 OVTAJPKYNCSKHD-SFHVURJKSA-N 361.510 5.845 0 40 FKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(C2=NCCCC2)cn1 72215813 WBBBQNZREJWILE-UHFFFAOYSA-N 351.450 5.128 0 40 FKAB Cc1cc(C)c2nc(-c3ccc(I)cc3)sc2c1 73635571 GXOYRAUAXDNGEA-UHFFFAOYSA-N 365.239 5.185 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1C(C)C 223319440 HYPYADKTCBHKNH-SFHVURJKSA-N 369.505 5.000 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223492992 IHMOMRCRUCSJMG-DYESRHJHSA-N 373.924 5.608 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1CSc1ccccc1 224650241 DGKZTAOZDQTVOK-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB CCOc1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 225497807 LESVYKWYBUKHHT-HXUWFJFHSA-N 372.534 5.168 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544340 CIXFTEHKVPGJPY-QGZVFWFLSA-N 369.480 5.844 0 40 FKAB CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225943275 XHVOQDUPWQWEJV-UHFFFAOYSA-N 371.786 5.446 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl 226348277 LHBVXUCHQRILFM-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 227145706 AVDWZIXAAACNMG-JXMROGBWSA-N 352.821 5.143 0 40 FKAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)c2ccccc21 409114091 IPFALPLUSMWIFU-HKWRFOASSA-N 373.427 5.312 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 840436 PBDJCJUIKUEUAN-JTQLQIEISA-N 358.652 5.361 0 40 FKAB Ic1ccc2c(c1)[C@H]1c3cccc4cccc(c34)[C@H]21 988514 JKFPYEGOQFMNLZ-ZWKOTPCHSA-N 354.190 5.035 0 40 FKAB Clc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1 1072835 HEIGOAMDDXABRI-UHFFFAOYSA-N 362.860 5.511 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 1385577 RCJIKSNOUWLCOR-UHFFFAOYSA-N 369.298 5.739 0 40 FKAB COc1ccc(-c2c(C)oc3cc(OCC=C(C)C)ccc3c2=O)cc1 1464237 GTHBXFSLVNSDJY-UHFFFAOYSA-N 350.414 5.122 0 40 FKAB biogenic O=C(Oc1ccc(Cl)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 2147464 UMKPGHVNXKDZNH-UHFFFAOYSA-N 373.235 5.792 0 40 FKAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(C)cc2)ccc1O 3911604 HDRALKDNKOFLJD-UHFFFAOYSA-N 359.429 5.076 0 40 FKAB CCCCC1CCC(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1 4079042 DVDSYPZNIDNRRZ-UHFFFAOYSA-N 361.486 5.279 0 40 FKAB CCCCOc1ccc([C@@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 4348631 BTBXXZMSOPRQCC-BJKOFHAPSA-N 367.533 5.169 0 40 FKAB Clc1ccc(C2=NN(c3ccccc3)c3nc4ccccc4n3C2)cc1 4730364 HEFGSSLWZMQOBV-UHFFFAOYSA-N 358.832 5.246 0 40 FKAB CCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1 4942811 MFQWFCFUAFDMAN-UHFFFAOYSA-N 371.864 5.201 0 40 FKAB Cc1ccc2oc(-c3cc(NC(=O)c4cccs4)cc(C)c3O)nc2c1 4988493 ONEXZHNVUDXAKD-UHFFFAOYSA-N 364.426 5.131 0 40 FKAB C[C@H](Sc1c(Cl)cccc1Cl)c1nnc(-c2ccccc2)o1 5320857 XGIYKWKRABLVLX-JTQLQIEISA-N 351.258 5.897 0 40 FKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)-c2ccccc2CC4)C1 5688995 UOLDCOVAJOBJJT-AWEZNQCLSA-N 371.505 6.447 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)OCc1ccc(Cl)c(Cl)c1 5940373 DQBHKNVKAJBZGS-UHFFFAOYSA-N 374.267 5.444 0 40 FKAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 6871702 PGZDLNVVDKKZLM-UHFFFAOYSA-N 368.362 5.148 0 40 FKAB O=C(COc1cccc2ccccc12)N(Cc1ccccc1)Cc1ccco1 7892274 CUXNCXTUHARTTI-UHFFFAOYSA-N 371.436 5.041 0 40 FKAB Cc1c(Cl)cccc1NC(=O)COc1ccc(C2CCCCC2)cc1 9141621 WHSAKPXYBPWDLI-UHFFFAOYSA-N 357.881 5.714 0 40 FKAB Cc1nc(SCCOc2ccccc2Cl)cc(-c2ccccc2)n1 12016999 OMLSDVYIDWRIAC-UHFFFAOYSA-N 356.878 5.277 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccsc2)n1 12794895 JUISGLMQTZAQSY-UHFFFAOYSA-N 356.516 5.485 0 40 FKAB COc1cccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)c1 12944408 WIJXDIGMDXANGF-VHXPQNKSSA-N 367.408 5.217 0 40 FKAB COCc1nn2c(-c3ccccc3)cc(C)nc2c1-c1ccc(Cl)cc1 20353104 STNSWSIABNFQHJ-UHFFFAOYSA-N 363.848 5.172 0 40 FKAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc2ccccc2c1 32070526 FARPOXHOEUIDQE-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB Clc1ccc2nccc(Sc3ccnc4ccc(Cl)cc34)c2c1 32616710 PCIYWDYTNBTUFI-UHFFFAOYSA-N 357.265 6.241 0 40 FKAB CC(C)=C1C=C(C(C)(C)C2=CC(=C(C)C)c3ccccc32)c2ccccc21 52525180 DNYHPTXCOXMXID-UHFFFAOYSA-N 352.521 7.794 0 40 FKAB CCN(CC)C(=O)c1cccc(NCCC(=O)c2ccc3ccccc3c2)c1 55174962 TWQVDAKZFAURPP-UHFFFAOYSA-N 374.484 5.007 0 40 FKAB CC(C)c1ccc(Cc2noc3nc(-c4ccccc4)cc(C(=O)O)c23)cc1 62710692 CGPKMNUIPFYZMI-UHFFFAOYSA-N 372.424 5.302 0 40 FKAB Cc1ccc(CN(C(=O)Nc2ccncc2)[C@H]2CCc3ccccc32)cc1 63813409 JMBAYBFKDAANIB-QFIPXVFZSA-N 357.457 5.112 0 40 FKAB CCCCCNC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472759 YOQZLPZAGZKKQY-UHFFFAOYSA-N 372.921 5.779 0 40 FKAB CCCC(CCC)C(=O)Nc1ccccc1NC(=O)C(CCC)CCC 95803570 AEZVQZIJXSDREU-UHFFFAOYSA-N 360.542 5.996 0 40 FKAB CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 96037260 DLMKAABRIUMURL-UHFFFAOYSA-N 373.500 5.376 0 40 FKAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118930408 GIYJTJPCTWLLOH-XKMUXQCMSA-N 360.538 5.166 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 216325103 OZNCATNWXXJJAC-VXKWHMMOSA-N 359.469 5.191 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222903648 CTNCQMHPFMJPNP-LSDHHAIUSA-N 373.949 5.577 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223273417 CPWWVBUVEDKXQD-GAJHUEQPSA-N 365.517 5.163 0 40 FKAB Cc1ccc(Nc2ccc(NC(=S)N[C@@H](C)c3ccccc3)cn2)cc1 223959679 JHPCZFJLYPXYDE-INIZCTEOSA-N 362.502 5.181 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(CSc2ccccc2)c1 224656481 LFYBFQFXMMYYMV-MRXNPFEDSA-N 357.519 5.296 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 224867538 KTWNPRDMMIRGID-HXUWFJFHSA-N 365.517 5.797 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266329 AMIVWOOUIQCUTQ-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1C 225516531 LUHVSOMAGKFAMC-SFHVURJKSA-N 365.901 5.288 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 225660560 FOLNDFIAAUHBHY-IFXJQAMLSA-N 361.938 5.651 0 40 FKAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225822972 WOIKRKVKEULKMG-KSFYIVLOSA-N 357.494 5.551 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Cl)cc1)N2 247438806 WRQLDKYQGFAFGI-YDIRCUSSSA-N 353.849 5.335 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 257204749 AWEFYHKUISEXOD-NRFANRHFSA-N 356.469 5.077 0 40 FKAB COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(C)cc1 409117334 QWOAHUSEANKCRY-UHFFFAOYSA-N 361.485 5.812 0 40 FKAB Clc1ccc(-c2nnn(-c3ccccc3)c2-n2cccc2)c(Cl)c1 1889219221 BCAXGKWZSICDQL-UHFFFAOYSA-N 355.228 5.032 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(-c3ccccc3)cc12 1701462 ZDZDHZGQXJEQAW-IBGZPJMESA-N 361.533 5.824 0 40 FKAB COC(=O)c1c(C)c(-c2ccccc2)c(-c2ccccc2)c(C)c1C(=O)OC 1731806 QYFOMSSCSULOTH-UHFFFAOYSA-N 374.436 5.211 0 40 FKAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(C)c(C)c4)sc32)s1 2476106 FAJXWMQRBYPJGB-UHFFFAOYSA-N 353.472 5.084 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 3087177 GSQWKMMVFJRZEN-UHFFFAOYSA-N 365.816 5.120 0 40 FKAB Oc1cccc(Oc2c(F)c(F)c(Oc3cccc(O)c3)c(F)c2F)c1 3091909 RHJINWZWXQEKQN-UHFFFAOYSA-N 366.266 5.239 0 40 FKAB Clc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 3145207 NZPQXNWWINTGET-UHFFFAOYSA-N 351.862 5.624 0 40 FKAB CC(C)c1ccc(-c2ncc(CSc3nnc4ccccn34)s2)cc1 3398173 NEQINAKECIFYKT-UHFFFAOYSA-N 366.515 5.269 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1Cc1ccccc1 4424678 DQZRVUIYEHKYDN-CCEZHUSRSA-N 372.855 5.269 0 40 FKAB COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccccc1F 4678117 BAPCCWQPOZHNLK-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB CC(C)(C)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1 5379965 YOVZLVBEXAOVBU-UHFFFAOYSA-N 365.260 5.253 0 40 FKAB C[C@@H]1CCC[C@H](NC(=O)c2sc3cc(Cl)ccc3c2Cl)[C@@H]1C 5504825 WVKPAUMSQIVGKI-BREBYQMCSA-N 356.318 5.763 0 40 FKAB CCc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1 5624262 FVPCCKKNVVAHOK-UHFFFAOYSA-N 369.515 5.128 0 40 FKAB Cc1ccc(CNC(=O)CSC(c2ccccc2)c2ccccc2)cc1 6654248 RBQBHDSJIHWJNX-UHFFFAOYSA-N 361.510 5.134 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 7990278 XCWOGUGAQDGTGA-UHFFFAOYSA-N 363.288 5.165 0 40 FKAB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C(C)C 8334088 KYUMOFLROJMOQI-LICLKQGHSA-N 374.893 5.580 0 40 FKAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@@H]1CCCc2ccccc21 12923317 MIJJDYYETOIXKV-TZIWHRDSSA-N 365.473 5.213 0 40 FKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3)c2)c1 19690800 FQJOCXGSUTYGEB-XMMPIXPASA-N 370.496 5.267 0 40 FKAB Cc1ccccc1-c1cc2c(SCc3ccccc3Cl)nccn2n1 38651806 XSYAFZRDBMICMX-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB CCCC[Sn](CCCC)(CCCC)c1cc(C)no1 169989160 YYGNJPDQYSBWPH-UHFFFAOYSA-N 372.141 5.039 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 170569488 WSBWIGDONCITOG-UHFFFAOYSA-N 350.245 5.212 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1Cl 222995979 IMYMCTZCARQFJL-HZPDHXFCSA-N 371.908 5.172 0 40 FKAB Cc1cc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)ccc1Cl 225088298 RZNNNSNOTBLHRW-HNNXBMFYSA-N 359.636 5.030 0 40 FKAB CCN(CC)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1Br 226332204 IOAFGMZPTYPCJQ-UHFFFAOYSA-N 358.283 5.147 0 40 FKAB Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 226764605 CERLAVQMAKHQFF-UHFFFAOYSA-N 365.191 5.227 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(C)c2)cc1 244983922 IXTQWBBQOBHRDH-UPVQGACJSA-N 354.453 5.546 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[C@@]1(C)CCC(=O)O1 257373168 KYUZKRJIOGSDGT-RTYBDNEOSA-N 372.549 5.022 0 40 FKAB CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3S[C@H]2c2ccc(Cl)cc2)C1 409336868 WXRXIYDGTKJONV-UXHICEINSA-N 369.917 6.265 0 40 FKAB CCc1cc2cc(C(=O)Nc3ccc(Br)cc3)sc2s1 988474 MYWSRXXNIIQOGW-UHFFFAOYSA-N 366.305 5.540 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2029455 MYPMFDMMAYICPA-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB COc1ccc(-c2c/c(=N\c3cc(C)cc(C)c3)c3ccccc3o2)cc1 2119452 QVXIQTYBSJHRMU-YYDJUVGSSA-N 355.437 5.958 0 40 FKAB biogenic CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NC1CCCCC1 2177019 MRSIDEFCZJCKAG-OJVSJSBUSA-N 373.540 5.759 0 40 FKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(F)cc1 2281514 AZGSNVOMTWQDKC-UHFFFAOYSA-N 354.425 5.458 0 40 FKAB COc1ccc(-c2cn3cc(-c4ccc(F)cc4)c4c3n2CCCC4)cc1 2284543 KAVFISHQRBGZMI-UHFFFAOYSA-N 360.432 5.559 0 40 FKAB COc1ccccc1[C@@H](Nc1ccccc1C)c1c(C)[nH]c2ccccc12 2546267 YOTWPSKFBDGSSP-XMMPIXPASA-N 356.469 5.995 0 40 FKAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cnc(Cl)c(Cl)c1 2632366 FSCSPGDHMJWFKB-UHFFFAOYSA-N 357.196 5.540 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Oc1cccc(Oc2ccccc2)c1 3289459 KRLMWSFDTNEJKU-UHFFFAOYSA-N 373.235 5.934 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 4318354 LWLNKFVUOFWRQO-URVUXULASA-N 371.883 5.581 0 40 FKAB Cc1nn2c(N)c(-c3ccc(Cl)cc3)cnc2c1-c1ccc(Cl)cc1 4600398 SIDFHSHZFMMILK-UHFFFAOYSA-N 369.255 5.261 0 40 FKAB CC[C@H](C)Oc1ccc(-c2ccc(-c3ccc(O[C@@H](C)CC)cc3)cc2)cc1 4673503 CRTXVVQPCWPLKT-PMACEKPBSA-N 374.524 7.375 0 40 FKAB CCCC[C@H](CC)CC[C@H](CCC(CC)CC)OC(=O)c1ccccc1 4691845 VOSOOKGSMUKXBQ-GMAHTHKFSA-N 360.582 7.425 0 40 FKAB O=C1CCCC[C@@H]1Sc1ncnc2cc(-c3ccc(F)cc3)sc12 5040037 HKFRCVRRYDJYQV-HNNXBMFYSA-N 358.463 5.101 0 40 FKAB Fc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)cc1 5684873 LUFPFMIDUNOTDR-OAQYLSRUSA-N 350.824 5.835 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 6449818 QQBSNCBOZSGWPX-AWEZNQCLSA-N 353.849 6.366 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 6651169 MRVNLHVPGFAVKW-GFCCVEGCSA-N 362.267 5.224 0 40 FKAB COc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1Cl 6846289 XOEQSXVCHFTGJX-UHFFFAOYSA-N 355.821 5.478 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 8335533 DLMNBMKQPIHUEM-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB O=C1O/C(=C\c2ccccc2)c2c(-c3ccccc3)ccc(-c3ccccc3)c21 18168849 ADGAWIAHLZXBFY-MOHJPFBDSA-N 374.439 6.689 0 40 FKAB Cc1cccc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)c1 19817323 KJZYADVYXSQNBL-INIZCTEOSA-N 373.481 5.012 0 40 FKAB Cc1ccc(CN2CN(c3ccccc3)C(=S)N(c3ccccc3)C2)cc1 20374893 SMWLFQFCUZERKY-UHFFFAOYSA-N 373.525 5.024 0 40 FKAB CCC[C@H](O)c1nc2ccccc2n1CCCCOc1cccc(C)c1 20897568 WWEBGDLNRBDQKT-NRFANRHFSA-N 352.478 5.037 0 40 FKAB Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 20980391 HOUUWPXTXSOCTI-UHFFFAOYSA-N 366.461 5.617 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1OC 30857101 XVHRYHQDOODDBA-MRXNPFEDSA-N 370.301 5.511 0 40 FKAB CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1)c1ccccc1S2 32229415 UFDCSHQNNVQXAS-HNNXBMFYSA-N 356.560 5.543 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ccc(C)cn12 35606567 TZUKZNUINNKVDY-UHFFFAOYSA-N 357.457 5.630 0 40 FKAB O=C(Nc1cccc(Br)c1)Nc1ccccc1C(F)(F)F 41111122 DRBNXHMYNUJRTA-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB C/C=C/[C@@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc2N1C(C)=O 59379775 FJYFRWQCPYNORK-YCDBXGQUSA-N 369.464 5.264 0 40 FKAB CC(C)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F 63814020 BXIGHABUCSLIBH-FQEVSTJZSA-N 364.464 5.089 0 40 FKAB CC(C)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C(C)C 72213043 OYXCWEJFTGANMW-JOCHJYFZSA-N 351.538 5.432 0 40 FKAB C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102612898 OSTLLWRZYOJDGD-XWCXQPFMSA-N 365.542 5.461 0 40 FKAB Cc1c(C=O)c2cc(OCc3ccccc3)ccc2n1CCc1ccccc1 217774466 OPWXFRLOFCABJT-UHFFFAOYSA-N 369.464 5.584 0 40 FKAB COc1cc2ccccc2cc1C(=O)NCCCc1ccc(C(C)C)cc1 219397080 SMUBQEVTUQTFTF-UHFFFAOYSA-N 361.485 5.334 0 40 FKAB COC(=O)c1cn(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c2ccccc12 222569191 BWHKCHYOGFGOSR-SDNWHVSQSA-N 361.441 5.079 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)c(C)c1 222856567 GAOJTIATAXJMGH-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)CCCC2 223024889 LUIIBAXEGDSBOY-LJQANCHMSA-N 372.306 5.209 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224976886 DSEHRMBEIUAMQM-QFIPXVFZSA-N 366.505 5.035 0 40 FKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 225698214 UDQYBDXYVLGFQZ-NRFANRHFSA-N 362.498 5.080 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)c2ccccc12 225805996 ZLKRGHQBRJYFJF-INIZCTEOSA-N 355.478 5.305 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1Cl 226348248 YVMGNDFXAIGDPJ-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB C[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C 1857795230 WZXRTVOJKUYNIN-IZHWHUGBSA-N 369.555 5.504 0 40 FKAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 671459 DKIOLQYXQABXPC-UHFFFAOYSA-N 359.425 5.087 0 40 FKAB Oc1ccccc1C1=Nc2ccccc2S[C@H](c2ccccc2Cl)C1 984782 FATKUJNJICQVEG-NRFANRHFSA-N 365.885 6.404 0 40 FKAB CCN(CC)CCN1c2ccc(C)cc2Sc2ccc3ccccc3c21 1561933 ZMMOJJVUYBPXGS-UHFFFAOYSA-N 362.542 6.093 0 40 FKAB C[C@H](CCOP(=O)(O)OCC[C@@H](C)CC(C)(C)C)CC(C)(C)C 1688920 LPOAIFBVIQAMFA-HZPDHXFCSA-N 350.480 6.045 0 40 FKAB O=C(c1ccccc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12 2299652 QEFIBKPBSVHOJG-HSZRJFAPSA-N 350.421 5.384 0 40 FKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2cccs2)nc2ccccc12 2740340 LWEILWOTPCQRNO-GJZGRUSLSA-N 350.487 5.366 0 40 FKAB Cl[C@]1(c2ccccc2)OCCOC1(c1ccccc1)c1ccccc1 4722411 GZCUZZBVNFDHCQ-JOCHJYFZSA-N 350.845 5.069 0 40 FKAB CCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 5461541 PUZZALKKBZURHK-UHFFFAOYSA-N 373.452 5.024 0 40 FKAB CCCc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 5554479 OMLUQSQGNMPTDQ-UHFFFAOYSA-N 373.246 5.087 0 40 FKAB O=C(O)/C=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 5648471 BLPUJDWDLFXOJQ-RQOWECAXSA-N 350.214 5.082 0 40 FKAB Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 6396076 BDUSYWCHPFGJFB-UHFFFAOYSA-N 365.864 5.278 0 40 FKAB Cc1cc2nnc(SCCSc3ccccc3F)n2c2ccccc12 6610919 UUYZQYSFAVJYJY-UHFFFAOYSA-N 369.490 5.214 0 40 FKAB CSc1ccccc1C(=O)O[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 7158750 RFXHQNGWAKEGJX-CQSZACIVSA-N 356.487 5.134 0 40 FKAB FC(F)(F)c1cnc(SCc2ncc(-c3ccccc3)o2)c(Cl)c1 7735195 UPZJUWRGOSMKLD-UHFFFAOYSA-N 370.783 5.701 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 10978900 CAUADRZHRBDSSQ-KBPBESRZSA-N 363.910 5.097 0 40 FKAB c1ccc(OCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 13727349 NKIICYRKAOKUKV-UHFFFAOYSA-N 366.530 5.335 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C)c(Cl)c2)s1 15840168 GIDCDSQQOKTKBC-UHFFFAOYSA-N 362.907 5.323 0 40 FKAB CC(C)C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1 22511303 JYAORUZMINDOHI-JOCHJYFZSA-N 351.534 5.820 0 40 FKAB Cc1nc(NC(=O)c2ccccc2SCc2cccs2)sc1C 22699566 OGTFVERAVWPEEQ-UHFFFAOYSA-N 360.529 5.366 0 40 FKAB Cc1ccc(CCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1Cl 23074965 DTSGFLJMOWPCIC-AWEZNQCLSA-N 372.921 5.410 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)c1csc(-c2ccc(Cl)cc2)n1 25470308 LBOLLGSJWGYBHT-LBPRGKRZSA-N 354.862 5.055 0 40 FKAB Cc1[nH]c2ccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc2c1C 32341646 UUXCJRUBCSKWMN-AWEZNQCLSA-N 363.486 5.228 0 40 FKAB O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 32845927 MQEXLTHSWMSWPY-QHCPKHFHSA-N 359.400 5.020 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)Nc1c(F)cccc1F 36709338 QHOPHYMNEVSSEM-UHFFFAOYSA-N 365.339 5.417 0 40 FKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 40485492 ZCNVONDOWOODOT-JOCHJYFZSA-N 373.427 5.187 0 40 FKAB Cc1cc2oc(=O)cc(CN[C@H](c3ccc(F)cc3)C(C)C)c2cc1C 58054139 WCQRQGDAJGIPBU-QFIPXVFZSA-N 353.437 5.036 0 40 FKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 59211015 DHIARLXHXKREMF-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB COc1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1OC 70461595 XAGNVSIQFVSIKQ-UHFFFAOYSA-N 360.413 5.124 0 40 FKAB Cc1[nH]c(-c2ccc(-c3nc4ccccc4s3)o2)nc1-c1ccccc1 95468311 SIHNRJGXELYVHN-UHFFFAOYSA-N 357.438 5.922 0 40 FKAB O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC[C@H]1/C=C/c1ccccc1 95468510 PSCSPVFKPQTDRO-BEBFYNPSSA-N 373.456 5.415 0 40 FKAB C[C@H](Nc1ccccc1-c1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102336435 YYVZRCWKGPBHRM-YOPKZKFMSA-N 362.517 5.095 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 219608752 PIMLQKFHPRYEIH-UXHICEINSA-N 359.897 5.401 0 40 FKAB Cc1nc(-c2cccc(NC(=S)N[C@H](C)c3ccc(F)cc3)c2)cs1 225181050 YCJDBOBDZVPROF-GFCCVEGCSA-N 371.506 5.305 0 40 FKAB Nc1cc(C(=O)O)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225323187 FZDNBZHPIFNBLZ-UHFFFAOYSA-N 354.793 5.156 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCC1 225851038 DKUVDLTXTJYSBV-UHFFFAOYSA-N 355.478 5.305 0 40 FKAB Fc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1F 225860605 NGTFOKKNVOBHRM-UHFFFAOYSA-N 366.864 5.374 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3ccc(Cl)c(Cl)c3)sc2C)cc1C 409049789 YSOQVGCPUHRMCY-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB Cc1cc(OC(=O)c2ccccc2C)ccc1NC(=O)c1ccccc1C 642771 RLHCXTCFFXSNAN-UHFFFAOYSA-N 359.425 5.083 0 40 FKAB CCC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1 822844 MBYLGSKSAXTUIF-UHFFFAOYSA-N 358.393 5.123 0 40 FKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)C3CCC3)C3CCCC3)cc2c1 1364826 ILAZKOFXFIXUFI-UHFFFAOYSA-N 370.924 5.576 0 40 FKAB Cc1ccc(COc2ccccc2C(=S)NCCc2ccccc2)cc1 1443836 PMVGOWGAIZIUIU-UHFFFAOYSA-N 361.510 5.082 0 40 FKAB COc1cc2c(cc1[C@H](C)c1ccc(OCc3ccccc3)cc1)OCO2 1582466 PIELRBUQBZPBSW-MRXNPFEDSA-N 362.425 5.155 0 40 FKAB CCC[C@H](C)NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2105799 PXFVPPJPFKKIEU-AWEZNQCLSA-N 366.892 5.782 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 2708423 WHFKNWZQRPYODP-UHFFFAOYSA-N 353.443 5.223 0 40 FKAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)S1 3145725 PSRLLIWLKSTLSC-LLVKDONJSA-N 363.845 5.009 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3270095 FIRUZBRRSSACEQ-IGVGMEOHSA-N 360.384 5.006 0 40 FKAB CCn1cc(SCC(=O)Nc2cc(Cl)ccc2OC)c2ccccc21 4060542 OPWMTCOSHDMJOT-UHFFFAOYSA-N 374.893 5.054 0 40 FKAB O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(Oc2ccccc2)c1 4063221 DSLNJNAGHHCZGD-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB CCCCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C 5245566 UDYNSYARGTYQBP-UHFFFAOYSA-N 362.473 5.033 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 5646839 WHNODIKZVXPNKR-UHFFFAOYSA-N 373.481 5.351 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1ccccc1)c1ccccc1 6479149 OVWOQKKPBKDXRO-HAVVHWLPSA-N 355.481 6.298 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 6970754 UUYBWTLVJZVGQZ-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 7700222 NWZLSUBJVQKUFM-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB COc1ccccc1-c1nc(-c2cc(C)n(-c3cc(C)on3)c2C)cs1 7846143 ANZLIFBJTPHVCO-UHFFFAOYSA-N 365.458 5.190 0 40 FKAB Cc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 7914794 SONDZZKAWADJJG-UHFFFAOYSA-N 373.481 5.221 0 40 FKAB CCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)cc1 8163392 SWQOESNLYATMHK-LJQANCHMSA-N 369.505 5.669 0 40 FKAB O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3s2)c1 8407082 VAXLEDVXXKPTKW-UHFFFAOYSA-N 350.468 5.206 0 40 FKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3cc(C)ccc3C)[nH]2)cc1O 9110500 TYHXNOZMEWZPIP-UHFFFAOYSA-N 370.452 5.742 0 40 FKAB OC1=Nc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2cc(F)cc(F)c2)C1 9421668 NDSOJRIHKKPULJ-CQSZACIVSA-N 359.763 5.132 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CC[C@@H](C)C4 12633332 IUIKXWSYXJKZOV-HZPDHXFCSA-N 361.554 6.603 0 40 FKAB CSc1cccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 12775149 SARUNPHCUZXQQR-UHFFFAOYSA-N 370.499 5.005 0 40 FKAB CC[C@@H](NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccc(Cl)cc1 12914888 FOIFOLYZXBPFLL-OAHLLOKOSA-N 373.909 5.151 0 40 FKAB O=C(Nc1cc(Cl)ccc1N1CCCCCC1)c1ccc(Cl)cc1 13073275 HKUGMCNNPNMINB-UHFFFAOYSA-N 363.288 5.626 0 40 FKAB COc1cccc(C(=O)N(C)[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 15670856 ZRRRLQKUKVFHHE-HSZRJFAPSA-N 370.452 5.038 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1Cl 20108163 UGZYIPQSJXFKNM-HNNXBMFYSA-N 352.261 5.406 0 40 FKAB Cc1ccccc1NC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072512 ZZLZEQYYPZYRHW-UHFFFAOYSA-N 372.255 5.693 0 40 FKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C)c2ccccc2)cc1 30849597 PUSDPHBAZOCRFI-GBXCKJPGSA-N 373.496 5.285 0 40 FKAB Cc1ccccc1[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 30865676 VNAXYXHQSBLKHK-PGRDOPGGSA-N 361.510 5.381 0 40 FKAB Cc1cc2c(c3ncccc13)OCN(Cc1ccc(Cl)c(Cl)c1)C2 31750087 KDEITHYFXWZGMV-UHFFFAOYSA-N 359.256 5.202 0 40 FKAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ccc(-c2ccccc2)o1 32976429 JRJJGVIAVKCKEL-UHFFFAOYSA-N 374.484 5.427 0 40 FKAB C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCC=C2 36399267 VPQWHHXHXLLCGV-MRXNPFEDSA-N 359.435 5.948 0 40 FKAB COc1ccc2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57353001 XMDHFUVJTDCOCR-UHFFFAOYSA-N 353.447 5.487 0 40 FKAB Cc1ccnc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)OC(C)(C)C)c1 199720217 MGLFLKDUWFRGIW-UHFFFAOYSA-N 366.383 5.351 0 40 FKAB CC(=O)N[C@]1(C)C[C@H](c2ccc3ccccc3c2)O[C@@H]2C[C@H](C)CC[C@H]21 257255228 KGQJWZLFWSRHNX-ZSNNFYQVSA-N 351.490 5.001 0 40 FKAB CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OC 314371899 RTBSZZUHOCRPKY-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB CCc1ccc(CNC(=S)c2cccc(OCc3ccccc3)c2)cc1 408573874 PLHPCKBAAZTVHU-UHFFFAOYSA-N 361.510 5.293 0 40 FKAB CCCn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 409097268 LUWRPAKKOWEKMV-UHFFFAOYSA-N 359.498 5.801 0 40 FKAB CC(C)[C@@H]1CC(CCNCc2ccco2)(c2ccccc2)C[C@@H](C(C)C)O1 524734703 FGZGVDGPFLBUDF-GOTSBHOMSA-N 369.549 5.557 0 40 FKAB CC(=O)Nc1ccc(NC(=O)C[C@@H](C)CCC=C(C)C)c(C(F)(F)F)c1 567918735 IXUGJBFXJKIJNI-ZDUSSCGKSA-N 370.415 5.375 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 712555 JKHVDFHUDFUZKS-UHFFFAOYSA-N 359.535 5.391 0 40 FKAB CC(C)c1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1 955925 RPVIFMJFGJAMNL-UHFFFAOYSA-N 354.431 5.081 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(F)c3)o2)cc1C 997952 JXQZAODABZQEEL-UHFFFAOYSA-N 357.356 5.006 0 40 FKAB Cc1ccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)c(C)c1 2182940 CQBYPBQTVDGCJV-UHFFFAOYSA-N 374.391 5.155 0 40 FKAB CCC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccco1)Cc1cccs1 2261035 FHGIHLKXTMJLCQ-LJQANCHMSA-N 371.477 5.441 0 40 FKAB Cc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C 4375334 XBMMNFQNAPPLPK-UHFFFAOYSA-N 370.905 5.053 0 40 FKAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N(C)c1ccccc1 4826073 RXRIYGXFDMBKNH-NSHDSACASA-N 362.907 5.093 0 40 FKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 4860230 RIBIJZGAASNUKI-LJJIPZOBSA-N 370.427 5.217 0 40 FKAB Clc1cccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)c1 5032145 LSXWGQNZGGRCRV-UHFFFAOYSA-N 368.805 5.026 0 40 FKAB Cc1ccc(CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 5100934 JWQSSOGKDKXTKX-UHFFFAOYSA-N 362.523 6.267 0 40 FKAB Cc1cc(OCc2ccc(F)cc2)c2c(-c3ccccc3)cc(=O)oc2c1 5214122 AMJKTHQGSNMSIA-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB COc1ccc(-c2nc(NC(=O)c3cccc(SC)c3)sc2C)cc1 5222626 APIOLZLHYQQADF-UHFFFAOYSA-N 370.499 5.101 0 40 FKAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 5240702 RZUBIRXBQNNLNB-UHFFFAOYSA-N 370.499 5.183 0 40 FKAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(C(C)(C)C)cc2)c1C 5978386 MARAPTGQFCLWMY-UHFFFAOYSA-N 352.474 5.469 0 40 FKAB FC(F)(F)c1ccc(Cl)c(NC(=S)SC2CCCCC2)c1 6511320 NOZVIGJQYPAGBI-UHFFFAOYSA-N 353.862 6.122 0 40 FKAB CCCCC(=O)Nc1ccc(-c2nc3cc([C@H](C)CC)ccc3o2)cc1 6591905 AXAHMFAHFDKJNY-OAHLLOKOSA-N 350.462 6.137 0 40 FKAB CCCCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7260982 QGLBQRDFXXYVOJ-UHFFFAOYSA-N 367.942 5.659 0 40 FKAB Cc1ccc(C(C)C)c(OCCCCn2c([C@H](C)O)nc3ccccc32)c1 7547510 DCFQUKGKBMYHQG-SFHVURJKSA-N 366.505 5.381 0 40 FKAB Fc1ccccc1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN21 9330656 LOWWIZVCDKJRFX-NRFANRHFSA-N 369.403 5.132 0 40 FKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 10332027 IOTTZKPMIWMENT-UHFFFAOYSA-N 371.524 5.972 0 40 FKAB Cn1c(-c2cc(-c3ccccc3)oc2-c2ccccc2)nc2ccccc21 12539005 INDIAXGOTYDDDZ-UHFFFAOYSA-N 350.421 6.167 0 40 FKAB O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)-c1ccccc1C2 12620387 KMUDKCMVAWQHSQ-UHFFFAOYSA-N 356.450 5.109 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccco2)nn1-c1ccccc1 12852877 KDUDMXOCYQIZRW-UHFFFAOYSA-N 363.804 5.038 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1 13584912 ZHJHRQRNTYRLFA-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1C 13930897 JLFXBRCKQIJNKI-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2Cl)c1C 19558002 TYGCLWLFHILDJO-GOSISDBHSA-N 370.884 5.062 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 20973540 HZIABFIDXXJEAK-UHFFFAOYSA-N 373.250 5.242 0 40 FKAB CC[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1 38772821 UPTGDMRQOKYSCF-QFIPXVFZSA-N 359.469 5.455 0 40 FKAB Cc1sc(NC(=O)c2cccc3ccccc23)nc1-c1ccc(F)cc1 40994217 GFKTVFSZWWAFRC-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB CCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)cc3)cc2)CC1 66351979 LMNCQPQSSCIAFO-UHFFFAOYSA-N 374.612 8.721 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1NC1CCCCC1 72214046 GLOWWJPETAKXFP-GOSISDBHSA-N 359.514 5.288 0 40 FKAB CN(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)c1cccs1 89313903 LYIPRNAYWFVZGD-OAHLLOKOSA-N 365.424 5.030 0 40 FKAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)cc1 95951270 WUYDGQZCRZTGNH-INIZCTEOSA-N 370.522 5.082 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)c(Cl)c2)c1 199710394 NHGDOMLXGBOKCV-UHFFFAOYSA-N 353.249 5.770 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220616 NEYQSICVYGJBGP-XDHUDOTRSA-N 373.496 5.363 0 40 FKAB CCOc1ccccc1NC(=S)NC1(c2ccc(C)cc2)CCCC1 225847713 MGIHIACBNDMUAL-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccccc1F 409110992 ADHSWPMLXRUQSF-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(-c2cccs2)cc1 575617974 FYUHRLJWBDOPSV-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 682943 KKLBXNOZPNYOJK-GOSISDBHSA-N 357.453 5.277 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1-n1c(C)ccc1C 934492 LGFHUBHBBGLHJT-UHFFFAOYSA-N 353.487 5.616 0 40 FKAB CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)[C@H](C)c1ccccc1 1321371 QGOAJGBPGUDRQY-XXBNENTESA-N 361.485 5.606 0 40 FKAB biogenic CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cccc(C)c1C 1339964 MTYNHISMFUWORY-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB COc1ccccc1C(=O)Nc1ccc2nc(SCC(C)C)sc2c1 2245544 VZLSPQPRMOTHBV-UHFFFAOYSA-N 372.515 5.305 0 40 FKAB Cc1cccc(-n2sc3c(c2=S)-c2cc(Cl)ccc2NC3(C)C)c1 2262779 BYDBZUDGVAKYTA-UHFFFAOYSA-N 372.946 6.558 0 40 FKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccccc1 2889656 MRUSRYRZTOQQLJ-UHFFFAOYSA-N 365.454 5.071 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCCCC1 3236319 XWJDSARNVFUMKH-UHFFFAOYSA-N 372.896 5.126 0 40 FKAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1Cl 3444869 WKUBCKTXBJCSBL-SECBINFHSA-N 366.870 5.208 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 3845753 RQNYQAQPXXMMQI-STZQEDGTSA-N 350.502 5.823 0 40 FKAB biogenic Cc1ccc(C2=Nc3ccccc3S[C@@H]2c2nc3ccccc3[nH]2)cc1 4149297 OJJNLFJFPWDBGI-NRFANRHFSA-N 355.466 5.839 0 40 FKAB Cc1ccccc1OC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 4610438 ZOKIZUHWMVGHLB-UHFFFAOYSA-N 353.421 5.738 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)cs/c2=N\Cc2ccccc2)cc1 4614783 BNZNUARUOLDZPS-VHXPQNKSSA-N 356.494 5.615 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4897670 QDDFACYMTXCMLZ-PKTZIBPZSA-N 355.497 5.223 0 40 FKAB CCOc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 5333842 GHITVNUKPAJHBZ-UHFFFAOYSA-N 369.465 5.110 0 40 FKAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1c1cccc(Cl)c1 6586246 CLPIARFTYCNASS-IBGZPJMESA-N 369.251 5.765 0 40 FKAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1 6906279 MQFWBCDRBAQNEP-FZKQIMNGSA-N 370.518 5.337 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OCc1ccccc1 6948522 SIQRZVMXTODRSZ-QFIPXVFZSA-N 357.453 5.073 0 40 FKAB O=C(N[C@@H]1CCSc2ccccc21)C1c2ccccc2Oc2ccccc21 7269138 WYHQOTRSEMNLIN-GOSISDBHSA-N 373.477 5.278 0 40 FKAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1Oc1ccccc1 8092622 UNSJAELURQSPLZ-UHFFFAOYSA-N 374.484 5.166 0 40 FKAB Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 10362722 GKIGCLKTTXFKOF-UHFFFAOYSA-N 365.860 6.012 0 40 FKAB C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1cc2ccccc2o1 12900263 BASKNTNRNHZGIV-JTQLQIEISA-N 373.836 5.931 0 40 FKAB Clc1ccc(Cn2c(-c3ccccc3)nc3ccccc32)c(Cl)c1 13030709 CKGIFQWSKUVACS-UHFFFAOYSA-N 353.252 6.058 0 40 FKAB CC(C)[C@H](CCC[C@@H](C)C[C@@H](O)Cc1ccccc1)Cc1ccccc1 13404722 VTHTXJLWIHKOGX-NQHRYMMQSA-N 352.562 6.301 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1ccccc1OCc1ccccc1 13687430 OVZXYXURGUKEBB-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB COc1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)cc1 14171636 CRCFSLFDRNIDPK-FQEVSTJZSA-N 367.445 5.306 0 40 FKAB Cc1ccc(CSc2nnc(NC(=O)c3ccc(C)cc3C)s2)cc1 14696192 JOKIKVJHXQJBFN-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 20488876 CGRLREQEYPDCCW-OAHLLOKOSA-N 359.510 5.234 0 40 FKAB Cc1cc(NC2CCCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 23114966 BOHITBQGRQADHZ-UHFFFAOYSA-N 360.383 5.078 0 40 FKAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(SCc2cscn2)cc1 25617106 WUZXUWLXCMZXDI-OAHLLOKOSA-N 368.527 5.269 0 40 FKAB O=C(O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)o1 26421258 UKRLPEZBJHQEMC-UHFFFAOYSA-N 351.836 5.047 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c3c(cccc13)CC2 27249130 KTSBNRZCERVZCO-UHFFFAOYSA-N 371.465 5.018 0 40 FKAB CCSc1oc(-c2ccc(C)cc2)nc1-c1nc2ccccc2s1 27562080 JJDUYMXFCSMDFA-UHFFFAOYSA-N 352.484 6.039 0 40 FKAB CC1=N/C(=C/c2cc3cccc(C)c3nc2Sc2ccc(C)cc2)C(=O)O1 27572972 YJALLJMOGLTVBZ-XDHOZWIPSA-N 374.465 5.319 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1 28210827 HIMIGLKSHANRCU-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(C)cc1 44085554 BDOZVBUXAJGYLZ-UHFFFAOYSA-N 359.292 5.332 0 40 FKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 59211014 DHIARLXHXKREMF-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB CC(C)C[C@H](C)N(C(=O)c1ccnc(Cl)c1)c1ccc2[nH]ccc2c1 60346967 ARBDNPPMMYVYJG-AWEZNQCLSA-N 355.869 5.298 0 40 FKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 67259758 LQJUJQAUPZLRFI-UHFFFAOYSA-N 372.493 5.295 0 40 FKAB COc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)cs2)cc1 80821174 FTYKYWMGGSMYGG-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CCOc1ccc(-c2nc(-c3cccc(N)c3)sc2C)cc1OCC 85397359 XTRMLKBEQWERJV-UHFFFAOYSA-N 354.475 5.165 0 40 FKAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2cccc(Cl)c2)c1 95946330 OHILTEXNYFGNIU-IBGZPJMESA-N 364.832 5.233 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3c[nH]c4ccccc34)C2=C(O)C1 104104527 YNZRTRWTGXGKNE-JOCHJYFZSA-N 357.457 6.039 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3)CCCC1)CC(C)(C)O2 222925510 MGZLKXLFWOZQPU-HXUWFJFHSA-N 363.501 5.225 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224977222 DFSNAGDZGZKJOW-QFIPXVFZSA-N 366.505 5.090 0 40 FKAB S=C(NCCCc1cccc2ccccc12)Nc1ccccc1Cl 225808108 KTXKMGCDBXPOCL-UHFFFAOYSA-N 354.906 5.412 0 40 FKAB CCc1cc(Br)cc(C)c1NC(=O)c1cccc(Cl)c1 226092854 FSVRYHINOJNXCQ-UHFFFAOYSA-N 352.659 5.226 0 40 FKAB C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1 245227260 IWJZDETVJSSMLD-MZBJOSPHSA-N 370.540 5.396 0 40 FKAB S=C(c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)N1CCCC1 408573169 IQQYTYRCBLQPIQ-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 408587576 SBGIAWSNWMCLRA-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB CCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409118422 QILLREOCZCATJR-UHFFFAOYSA-N 363.457 5.888 0 40 FKAB CC(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409135593 QNDDNMREGYTWNJ-GJEUKYARSA-N 360.501 5.121 0 40 FKAB Cc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 705045 LYZQOAAVAUPCLH-UHFFFAOYSA-N 365.483 5.168 0 40 FKAB CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(Br)c1 709105 CLGIHDXZGSGMRL-UHFFFAOYSA-N 372.262 5.303 0 40 FKAB COc1cc(Nc2nc(-c3ccc(C)cc3)cs2)c(OC)cc1Cl 714794 PIZNEGCCPRNJRI-UHFFFAOYSA-N 360.866 5.533 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1 998865 WTCSNZCGFFWOBI-DHZHZOJOSA-N 368.527 5.821 0 40 FKAB FC(F)(F)c1cc(Oc2ccc(-n3cccc3)cc2)cc(C(F)(F)F)c1 1046212 XGBWMSNWVGQVAJ-UHFFFAOYSA-N 371.280 6.307 0 40 FKAB Clc1ccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)cc1 1807513 XNVJAWYYBNOQIO-UHFFFAOYSA-N 359.860 5.605 0 40 FKAB CC1(C)C[C@@](C)(c2ccc(F)cc2)c2ccccc2N1C(=O)c1ccccc1 2323059 NWTGVHIXICBDTD-VWLOTQADSA-N 373.471 5.961 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cccc(F)c3)n2)cc1C 2733540 FYQLVUNZCWKCAV-UHFFFAOYSA-N 370.471 6.579 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)NC1CCCCC1 2736992 VOQNTGZXYVELEH-UHFFFAOYSA-N 351.475 5.418 0 40 FKAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3Cc3ccccc3)cc2C1 3369324 XYKMZFROGPACEW-MRXNPFEDSA-N 361.510 5.716 0 40 FKAB CCCn1c(SCc2ccc(F)cc2)nc(CC(C)C)c1CC(C)C 4024033 AJOIUDNIRYGANU-UHFFFAOYSA-N 362.558 6.122 0 40 FKAB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC 4171227 UCLGIKKXOIONJU-GPDNFFQDSA-N 351.534 5.656 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(C)c1 4577591 VUZGURMZSLTKEG-JOCHJYFZSA-N 355.481 5.557 0 40 FKAB COc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)cc1 5019712 GVUDVRZUCUYKRA-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB O=C1c2c(oc3c2C(=O)c2cccc4cccc-3c24)-c2cccc3cccc1c23 5884592 BSKLBGYJSOVFNV-UHFFFAOYSA-N 372.379 6.009 0 40 FKAB Cc1ccc(-c2n[nH]c(SCc3ccc(Cl)cc3Cl)n2)cc1 6300867 SOLCESIQXWVGOY-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB CCOc1ccc([C@H](CCN2CC3CCC(CC3)C2)c2ccccc2)cc1 6411293 NQCHWGIDYBIPJN-UXIGSVSMSA-N 363.545 5.729 0 40 FKAB Cc1ccc(NC(=S)SCc2ccc3c(c2)OCO3)cc1Cl 6488192 XUFDGPREHJWYSQ-UHFFFAOYSA-N 351.880 5.007 0 40 FKAB O=C(NCc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1 7684691 UEOYMXGAWKVDJB-UHFFFAOYSA-N 367.901 5.562 0 40 FKAB O=C(OCc1ccccc1F)/C(=C/c1ccc(F)cc1)c1cccs1 7782624 XLRTWJRSYBOJRC-SFQUDFHCSA-N 356.393 5.310 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1 8302436 IUTHJLUTFRTMSB-RMKNXTFCSA-N 350.643 5.063 0 40 FKAB Cc1nc2cc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)ccc2o1 8369456 SRPHKMWEYKMDLG-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB O=C(NCCC1=CCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383049 QHGCCXNPJVQHBZ-UHFFFAOYSA-N 367.876 5.191 0 40 FKAB COc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1 8470341 BHZQFRXTQHHXCH-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)cc(Cl)c1 12971706 RBSIMMSZRHTKSN-SNVBAGLBSA-N 365.285 5.436 0 40 FKAB CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757801 CHKBPNFQDITVAP-UHFFFAOYSA-N 351.862 5.463 0 40 FKAB Cn1cnnc1SC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 24716422 XZBNYDSTDVKNFY-UHFFFAOYSA-N 350.274 5.004 0 40 FKAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 40104002 PKUVGSXQQQFIEU-AWEZNQCLSA-N 373.884 5.159 0 40 FKAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1Oc1cccnc1 58417317 CYUDYSHLXFYHSM-PMACEKPBSA-N 362.404 5.064 0 40 FKAB Clc1ccc(CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 65330850 ZBBNOFJQJLHROT-UHFFFAOYSA-N 374.962 6.197 0 40 FKAB CCCOc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1 69701144 QGWVQRYZPYXEBR-UHFFFAOYSA-N 353.465 6.666 0 40 FKAB CCN(CC)c1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)c(C)c1 71761793 YCKCIXMVBGJZQN-UHFFFAOYSA-N 361.942 5.612 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72229846 DZPCONRZEQYWNS-NRFANRHFSA-N 365.860 5.236 0 40 FKAB Cc1ccc(F)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 98073340 LPUXTBLWOUPSPS-MRXNPFEDSA-N 361.416 5.107 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CSc2ccc(C)cc2)c2ccccc2O1 223193835 DRSUFQABMDZRPI-LJQANCHMSA-N 369.530 5.286 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2OC(C)C)cc1C(C)C 223354990 UQNNDBNZBIPKFD-KRWDZBQOSA-N 369.505 5.405 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 223441307 GXFMBMNVGZQRAT-RBUKOAKNSA-N 367.533 5.554 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c2ccccc12 225840006 QPOHOUGKNHSMBG-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 408901207 CBOSAGUHQHHIMW-QFGUUYLXSA-N 353.443 5.105 0 40 FKAB CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 1772492275 NTISSUBFZAIVDS-HHFQUTRZSA-N 370.577 5.686 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)OC)cc2)nc1-c1ccc(F)cc1 845838 JFTBYFGJFGNOQB-UHFFFAOYSA-N 370.449 5.432 0 40 FKAB CCOP(=O)(CCOc1cc(Cl)c(Cl)cc1Cl)OCC 1694639 RMLMYKSAELCSQG-UHFFFAOYSA-N 361.589 5.292 0 40 FKAB Cc1c(C)c2c(cc(C)c3c(-c4ccc5ccccc5c4)coc32)oc1=O 2145885 KJJFPHWRELMSQE-UHFFFAOYSA-N 354.405 6.285 0 40 FKAB biogenic CCCSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 2236844 NDXPLHGKYBLYQO-UHFFFAOYSA-N 368.546 5.190 0 40 FKAB COc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 2444413 NIQSHFRVLGQLJZ-NQIIRXRSSA-N 373.968 6.609 0 40 FKAB CC[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 2720683 JSMSFABWPBPGNR-CQSZACIVSA-N 363.486 5.066 0 40 FKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)c1 2974717 SPVPQGYVEBDNHJ-UHFFFAOYSA-N 368.484 5.750 0 40 FKAB C[C@@H]1SC2(CCCCC2)N(c2ccc(Oc3ccccc3)cc2)C1=O 3619029 GUESMEZHBBRROU-INIZCTEOSA-N 353.487 5.608 0 40 FKAB COc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccccc2)cc1 4628967 KGRQARDJXIZCPH-SSZFMOIBSA-N 368.436 5.388 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 4676064 UXVYGIBJGVASFV-JTHBVZDNSA-N 358.416 5.376 0 40 FKAB Cc1sc(C(=O)Nc2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 4749026 GWTSDCSGDOLFCB-UHFFFAOYSA-N 352.503 5.172 0 40 FKAB CC(C)c1ccc2c(c1)C(c1ccccc1)=NN=C(c1ccc(F)cc1)N2 5977360 IGJPOCOSVFXIHW-UHFFFAOYSA-N 357.432 5.574 0 40 FKAB C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)\c1ccc2ccccc2n1 6337986 XVWBMOXOQUURSQ-FYWRMAATSA-N 374.447 5.653 0 40 FKAB CC(=O)c1cn([C@H](C)C(=O)Nc2cccc(Cl)c2C)c2ccccc12 6960691 CRJJWQWVLNYZRX-CYBMUJFWSA-N 354.837 5.005 0 40 FKAB Cc1ccc(C)c(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)c1 8410744 LFEWYSIMKITIBO-UHFFFAOYSA-N 372.921 5.139 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)nc12 9141255 LWFYJRAJUNIQJM-UHFFFAOYSA-N 354.519 5.458 0 40 FKAB CCc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 10339044 QDSZYCUZEVBPDT-UHFFFAOYSA-N 359.469 5.399 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1occc1COc1ccccc1 11327693 KWHWOBOEQDSUBN-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB Cc1cccc(-c2cc(Cl)nc(SCc3ccccc3Cl)n2)c1 12016178 OYLJOMDLZKGPAW-UHFFFAOYSA-N 361.297 6.051 0 40 FKAB CC(C)(C)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12587548 ODZGFEHHQVWQGQ-UHFFFAOYSA-N 351.475 5.085 0 40 FKAB Cc1nc(COc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cs1 12993477 CXWLAVOYPMCMNW-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CCc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)C2 20672078 QLHIPZOWPOVFAG-UHFFFAOYSA-N 359.473 5.333 0 40 FKAB CCc1sc(-c2nnc(CN3CCc4sccc4[C@@H]3CC)o2)cc1C 23881612 KPTCEBBVUUHBNP-AWEZNQCLSA-N 373.547 5.240 0 40 FKAB Cc1cc(C)c(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)c1 24673667 YAXRKQRFEBTTGX-KRWDZBQOSA-N 370.924 5.196 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 32692273 JBWGCOWZWMNPGK-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB C[N+]1=C(/C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 33374037 IGKHMEOCUZSGPT-MJZABRMRSA-N 370.540 5.511 0 40 FKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Cl)cc1 72229868 ORBFYLAFALXNMW-LJQANCHMSA-N 372.251 5.327 0 40 FKAB O=C(Nc1cccc2ccccc12)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344355 IQUJIOCKRJIFGF-QZTJIDSGSA-N 356.252 5.889 0 40 FKAB NC(=O)[C@@H](Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccccc1 84562640 YDPPKRHXYZELBF-IBGZPJMESA-N 370.374 5.011 0 40 FKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c(C)noc1-c1ccccc1 95939702 VRTLOWYDVPVPHQ-AWEZNQCLSA-N 370.836 5.018 0 40 FKAB CCOc1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 98073089 RCKLPWDEVUKUHN-QGZVFWFLSA-N 373.452 5.059 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224471395 WEJJYSGJUGUMBA-HXUWFJFHSA-N 373.452 5.999 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(OC2CCCC2)cc1 224979813 JMEONBCHDORSRB-UHFFFAOYSA-N 371.480 5.856 0 40 FKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3Cl)oc12 226286287 JYPCPRTXFWCKIU-UHFFFAOYSA-N 374.827 5.617 0 40 FKAB CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)c2ccccc21 409121263 YTBJODXIQMBXBN-PGMHBOJBSA-N 357.453 5.536 0 40 FKAB Fc1cc(C(F)(F)F)cc(F)c1Oc1ccccc1Br 1504250525 ZBZPBGUPJNJOFC-UHFFFAOYSA-N 353.084 5.538 0 40 FKAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1 877683 QPDZHAFWZYHTEW-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB COc1ccc(C(=O)Oc2ccc(C)c(CC(Cl)(Cl)Cl)c2)cc1 1626882 GVYYKCPAEPDMGG-UHFFFAOYSA-N 373.663 5.136 0 40 FKAB CCCOc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 2049929 UAOCOZSGLGPMQX-UHFFFAOYSA-N 369.262 5.362 0 40 FKAB CCc1cc2c(=S)c(-c3cc4ccccc4o3)c(C)oc2cc1OC 2154256 APGQPHOQRGUMAG-UHFFFAOYSA-N 350.439 6.455 0 40 FKAB biogenic Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc5ccccc5c4)c12)CCC3 2232892 OXYNCTVOHCQOBB-UHFFFAOYSA-N 366.416 6.157 0 40 FKAB Cc1ccccc1Nc1nc(C(F)(F)F)c(-c2ccc(F)cc2)s1 3117408 GSUQMJCILFKIEK-UHFFFAOYSA-N 352.356 6.020 0 40 FKAB CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(C)cc2)cc1 3911606 NFCRHWCFYXHEDG-UHFFFAOYSA-N 359.498 6.084 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 4657372 GLHBEILTOBXCIA-QZGUCNERSA-N 369.549 5.218 0 40 FKAB c1ccc2[nH]c(C34CC5CC(C3)CC(c3nc6ccccc6[nH]3)(C5)C4)nc2c1 4816043 QYUFADCIDDVFOI-UHFFFAOYSA-N 368.484 5.229 0 40 FKAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1Cl 4849226 WFQIRUYPNLVEFF-UHFFFAOYSA-N 356.878 5.181 0 40 FKAB O=C(Nc1ccccc1)c1cc(Oc2ccc(Cl)cc2)nc2ccccc12 4995307 RCMPQPWSDKUKBQ-UHFFFAOYSA-N 374.827 5.933 0 40 FKAB Cc1cc(Nc2ccccc2)nc(SC(=O)CCCc2ccccc2)n1 5739932 VUKVTLIASKOIIM-UHFFFAOYSA-N 363.486 5.170 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1Cc1ccccc1 6441619 XNFMCRPDGBJBJV-UHFFFAOYSA-N 351.833 5.192 0 40 FKAB CC(C)c1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6510233 KHVSGMYKERBGDA-CYBMUJFWSA-N 365.304 5.406 0 40 FKAB Cc1c(Sc2ccc(Cl)c(C(F)(F)F)c2)c(=O)[nH]c2ccccc12 7738366 VYPAEJCGCSVFQZ-UHFFFAOYSA-N 369.795 5.660 0 40 FKAB CCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 7966845 MUJKRDGOBSVEHW-UHFFFAOYSA-N 364.367 5.086 0 40 FKAB O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 8105722 GVBWZMWDSSSCHX-GFCCVEGCSA-N 374.868 5.109 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 9064415 ZLXRKAFVOQEMSD-KRWDZBQOSA-N 352.478 5.107 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 9064464 RNLBGLKBXILZHU-KRWDZBQOSA-N 352.478 5.105 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 9141298 AANLKMHOMGAYLP-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)o1 9573865 WLCAZCNUPBRKFC-UHFFFAOYSA-N 358.228 5.355 0 40 FKAB Cc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 12523999 UHYFWUIPTTXUHJ-IZHYLOQSSA-N 370.521 6.363 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccs1 14258070 OKYJIQUIPXYUMX-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)c1 19199962 UUZHNUCGNKGLMT-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)C3CCCC3)CC2)n1 19691156 PRWQGJRWICKNRN-UHFFFAOYSA-N 366.480 5.092 0 40 FKAB Cc1cccc(-n2nc(C)c3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)c1 20632872 HAXFFVOPEKUGQN-HXUWFJFHSA-N 358.485 5.525 0 40 FKAB O=C1C[C@@H](c2cccc(Cl)c2)c2snc(-c3cccc(F)c3)c2N1 35324476 WZNQXJCCCGABOL-AWEZNQCLSA-N 358.825 5.077 0 40 FKAB CC(C)Oc1ccc([C@H](CCNCc2ccco2)C2CCCCC2)cc1 50690244 DIECDKRJLGHYQI-HSZRJFAPSA-N 355.522 5.911 0 40 FKAB CSc1nc2ccccc2n1[C@H](c1ccccc1)c1ccc(Cl)cc1 59459358 UEKAIAVMUWYIPT-HXUWFJFHSA-N 364.901 6.049 0 40 FKAB Cc1cccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 64472485 IBBKFWPJKJKRRF-UHFFFAOYSA-N 372.493 6.075 0 40 FKAB CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215344 DPVJBLMBRCJOLT-LJQANCHMSA-N 373.541 5.169 0 40 FKAB Nc1cc(Cl)c(NC(=O)c2ccccc2F)cc1NC1CCCCC1 72229198 UHMHHRPWTUYALZ-UHFFFAOYSA-N 361.848 5.058 0 40 FKAB O=C(O)c1ccc(Nc2ccnc3c(Oc4ccccc4)cccc23)cc1 78401566 QAEHRSWCWURMLF-UHFFFAOYSA-N 356.381 5.469 0 40 FKAB CC(C)(C)OC(=O)CCCCCCNCc1cnc(-c2ccccc2)s1 78869103 ZMJUQLZBDOBCLW-UHFFFAOYSA-N 374.550 5.192 0 40 FKAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1)[C@@H]2O 118916255 LZOCUXGUHLCYSF-GKVUEOLRSA-N 364.573 6.474 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3OC(C)C)ccc21 219737079 ZZBNLPRIYIGBNH-UHFFFAOYSA-N 372.468 5.854 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533497 OYBNLEJIDUDFLP-SFHVURJKSA-N 351.490 5.705 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225564001 WQDXJIVNZCMMOI-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB CC(C)C(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 408627985 PBHBDELFGXDTQM-UHFFFAOYSA-N 365.285 5.865 0 40 FKAB COc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 409113020 DEFGZEVJXWSSNR-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 679099 OKSXLICBYNUOTD-DYESRHJHSA-N 358.485 5.519 0 40 FKAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 861931 LASKZRYSAKGDGK-UHFFFAOYSA-N 351.833 5.119 0 40 FKAB CC(=O)c1c(OCc2ccccc2)cc(OCc2ccccc2)c(C)c1O 988108 ZGGGWSNSAFGICS-UHFFFAOYSA-N 362.425 5.061 0 40 FKAB Cc1cc(Br)ccc1NC(=O)Cc1cccc2ccccc12 1017010 BFJLJWNLQAEKHR-UHFFFAOYSA-N 354.247 5.092 0 40 FKAB CCCC(CC)=C(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 1569555 DNPPVUXGTAVNDX-UHFFFAOYSA-N 366.457 5.549 0 40 FKAB CCOP(=O)(Cc1c(C)cc(Br)c2ccccc12)OCC 1592241 JCNSYLMSRVRGRG-UHFFFAOYSA-N 371.211 5.677 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(Cl)c2ccccc12 1706391 ZWESMUVWWIABJU-QFIPXVFZSA-N 361.957 6.209 0 40 FKAB CCC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccco1 2112035 JBHCGQIMUASSDG-JOCHJYFZSA-N 363.542 5.420 0 40 FKAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 2629250 BDMRYXRGSFGQAQ-UHFFFAOYSA-N 373.496 5.841 0 40 FKAB Cc1ccc(-c2nc(N(C)c3ccccc3)s[n+]2-c2ccccc2)cc1 2666201 SHOFSTZYWGIDHA-UHFFFAOYSA-N 358.490 5.163 0 40 FKAB O=C(OCc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1O 3357528 WRENBEIJGNYTAK-UHFFFAOYSA-N 354.789 5.195 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 4285639 VSVORUIMESBOHI-AJSBUHFISA-N 355.566 6.056 0 40 FKAB CCNc1cc(Nc2ccccc2)c2c3c(onc13)[C@H]1CCCC[C@@H]1C2=O 4624058 JGAOFCXXZCNXHP-GJZGRUSLSA-N 361.445 5.473 0 40 FKAB COc1ccc(-c2cnc(NCc3c(Cl)cccc3Cl)n2C)cc1 4679292 XOSZMIVTARGIBO-UHFFFAOYSA-N 362.260 5.015 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccc(Cl)cc3)n2c1 4733524 RHFLVGMDAPQRQE-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 4953969 BMPBIQJSNCTEEZ-LJQANCHMSA-N 364.832 5.233 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1 4969952 NVLCCVUWOYLQAN-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1ccnc(/C=C/c2ccc(Cl)cc2)c1 5125258 FIDFDSHBKIWNIN-LVMGUKCRSA-N 371.956 5.828 0 40 FKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]1(C)[C@H]2C 5276199 RCUTXCNUFHNHOK-YQTBEINKSA-N 374.565 5.078 0 40 FKAB Clc1cccc(SCc2cccc(-c3nc4ccccc4s3)c2)c1 5949221 WLZFLCCWWYURDL-UHFFFAOYSA-N 367.926 6.909 0 40 FKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@@H]3c2ccco2)cc1 6719852 DVPRIHSLUFOSFX-GOSISDBHSA-N 373.412 5.167 0 40 FKAB Cc1ccc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1 7737180 ZYNSLSYEXFPUCX-CPNJWEJPSA-N 352.430 5.480 0 40 FKAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2ccccc2s1 7988497 PYGRRHMASQRUQW-HXUWFJFHSA-N 372.493 5.356 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 10978895 CAUADRZHRBDSSQ-ZIAGYGMSSA-N 363.910 5.097 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)NC(c1ccccc1)c1ccccc1 22525528 RASAWVRYMBTVBZ-QFIPXVFZSA-N 359.469 5.058 0 40 FKAB O=C(Nc1sc(-c2ccccc2)nc1-c1cccs1)c1ccccc1 26688341 HEBJKSYQMHFQJW-UHFFFAOYSA-N 362.479 5.791 0 40 FKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 28210371 BIKRJCRWKCYTMU-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478278 QSCGMEDHBRRLIH-UHFFFAOYSA-N 365.742 5.001 0 40 FKAB CC(C)c1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 101972300 ORVQZBOBMKTHDR-IBGZPJMESA-N 350.853 5.111 0 40 FKAB C[C@]12CC3CC(C(=O)Nc4c(F)c(F)cc(F)c4F)(C1)C[C@](C)(C3)C2 102572891 CLEOFNJQYFEPDU-RKLQTORHSA-N 355.375 5.178 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 216799056 ROQQJDARBRCJCX-HUUCEWRRSA-N 354.881 5.911 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219324996 GZGNNKZEYGSUBU-PMACEKPBSA-N 359.897 5.382 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 222896241 MKHQWAWQYNFBSY-FGZHOGPDSA-N 353.506 5.310 0 40 FKAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCCC2 222908135 DAAKONBLSDWLGB-GOSISDBHSA-N 355.481 5.723 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(F)(F)F)c1 222945865 FHDSTZCZZUNFTK-INIZCTEOSA-N 351.368 5.118 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)c2ccccc12 225805942 CNODFNUGFBLQGD-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 263584647 YAAVDCPESOODKU-HCGLCNNCSA-N 362.601 8.550 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccccc1 408589216 ZCPKTLIJVZBREY-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB CCCc1sc(=Nc2cccc(C)c2C)[nH]c1-c1ccc(OC)cc1 408754646 GNUPIYNRVSOECA-UHFFFAOYSA-N 352.503 5.554 0 40 FKAB Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2)c1 649691 DDQPOCYPJMXUML-XMMPIXPASA-N 366.464 5.264 0 40 FKAB biogenic Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)c1 672896 JYUDYSIILHFINO-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2C(C)(C)C)cc1 712563 OLGXKENUYMKLFV-UHFFFAOYSA-N 359.535 5.391 0 40 FKAB COc1ccc(C(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c(O)c1 1612529 GWTMZTWKLYUKOI-UHFFFAOYSA-N 371.436 5.365 0 40 FKAB CCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 2078806 WBYWZSCUUGZVJB-UHFFFAOYSA-N 353.849 5.821 0 40 FKAB CCOc1ccc(-c2cc(=O)oc(-c3ccc(-c4ccccc4)cc3)n2)cc1 2216210 IMRBOOSOVBIXNQ-UHFFFAOYSA-N 369.420 5.435 0 40 FKAB Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(Cl)c1 2269539 IHSKGJBPBBSHFW-UHFFFAOYSA-N 365.263 6.718 0 40 FKAB CCCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2449770 FLCCBBQGXYTXOS-UHFFFAOYSA-N 370.928 5.868 0 40 FKAB O=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 2964126 AOWOZGQTFWRSIU-UHFFFAOYSA-N 374.248 5.890 0 40 FKAB O=C(c1ccccc1)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 3491312 XNMNJISWZSTNGJ-UHFFFAOYSA-N 364.444 6.164 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 4136376 KICACBVQBZQHRD-UHFFFAOYSA-N 371.440 5.269 0 40 FKAB c1ccc(-n2ncc3c(SCc4cccc5ccccc45)ncnc32)cc1 5500846 HYYRTJUWZHRCAL-UHFFFAOYSA-N 368.465 5.261 0 40 FKAB Cn1nc(C(F)(F)F)c2cc(COc3ccc(C(C)(C)C)cc3)sc21 5632570 ZQIVNWBYRULPAG-UHFFFAOYSA-N 368.424 5.530 0 40 FKAB O=C(Nc1ccncc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 6605671 MDCSBOBVOLTFAS-SFHVURJKSA-N 354.862 5.207 0 40 FKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(C)cc3)n2C)cc1 6709641 MZPAOXYSKBZCQC-MRXNPFEDSA-N 367.518 5.118 0 40 FKAB Cc1occc1-c1nnc(SCCOc2ccc(Cl)cc2Cl)o1 7193992 CBMKEPKTABFGKR-UHFFFAOYSA-N 371.245 5.116 0 40 FKAB Clc1ccc(-c2cnc(CSc3nc(-c4ccccc4)n[nH]3)o2)cc1 7294322 WVIUTJROXULDGI-UHFFFAOYSA-N 368.849 5.072 0 40 FKAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl 7587646 GAXNJXCTEOYKPL-JTQLQIEISA-N 369.679 5.037 0 40 FKAB COc1ccc(-c2nc(CC(=O)Nc3ccccc3C(C)C)cs2)cc1 8113535 JIRMYOLHTKGGHD-UHFFFAOYSA-N 366.486 5.123 0 40 FKAB COc1cc(C(=S)NC2CCCCC2)ccc1OCc1ccc(C)cc1 9188053 LTAPDVHRENFEBX-UHFFFAOYSA-N 369.530 5.180 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccccc1 9698436 SFMMGGUZCYIHIO-IBGZPJMESA-N 359.454 5.098 0 40 FKAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Cl)cc2)cc1 9871407 VSWSWENBZASLRE-LJQANCHMSA-N 358.869 5.498 0 40 FKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1F 10220057 LXGCCIAIYPVXMX-GOSISDBHSA-N 373.431 5.261 0 40 FKAB COc1ccc(/C=C2\OC(=O)C(c3ccccc3)=C2c2ccccc2)cc1 12563758 FGKHIOKNVHPCOD-PGMHBOJBSA-N 354.405 5.204 0 40 FKAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc(C(C)(C)C)cc1 13670545 KJHREHQXDGQBMN-CYBMUJFWSA-N 360.295 5.238 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1Cl 13709034 GQXHCAYEVGWFQG-ZDUSSCGKSA-N 374.267 5.230 0 40 FKAB CC[C@@]1(C)Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 13810660 CGPCWSZRLBYPDI-YLJYHZDGSA-N 356.853 5.018 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1F 15003792 INNCNWWQHRWMQX-UHFFFAOYSA-N 369.436 5.426 0 40 FKAB Fc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 16399557 CHMYGOKWFLDVHL-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB CCCCCCOc1ccc(CNc2cc(Cl)ccc2Cl)cc1 19738060 ZQJUDLRHTVHMSP-UHFFFAOYSA-N 352.305 6.565 0 40 FKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C)c2ccccc2)cc1 30849584 PUSDPHBAZOCRFI-RDPSFJRHSA-N 373.496 5.285 0 40 FKAB C[C@H]1c2ccsc2CCN1C(=O)CC(c1ccccc1)c1ccccc1 32781403 HFPCXPPSGGJHRZ-KRWDZBQOSA-N 361.510 5.416 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccccc1Cl 32845903 DYXWTQXLGHGRTG-NRFANRHFSA-N 361.828 5.606 0 40 FKAB Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3C)c2c(C)c1Cl 39892932 KWBAFXLYMKRANK-UHFFFAOYSA-N 362.256 5.846 0 40 FKAB O=C(Nc1cccc(Cl)c1)N1CCc2sccc2[C@H]1c1ccccc1 40002651 ODIWUAJHGJGDFG-LJQANCHMSA-N 368.889 5.581 0 40 FKAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1OCC(C)C 48299711 LNNUJRSCGLCDME-KRWDZBQOSA-N 358.507 5.324 0 40 FKAB Fc1cc(CNCc2csc3ccccc23)ccc1Oc1cccnc1 63549219 HYGJYWWXWLRQPT-UHFFFAOYSA-N 364.445 5.518 0 40 FKAB CC[C@H](c1ccccc1)[C@H]1CCCN1c1cc(C)nc(-c2ccncc2)n1 72280818 AZIBCNRCPOKMJF-NHCUHLMSSA-N 358.489 5.010 0 40 FKAB Cc1cccc(COc2ccc3occ(C(=O)c4ccc(F)cc4)c3c2)c1 96184254 SZFYCGONXOIAQM-UHFFFAOYSA-N 360.384 5.690 0 40 FKAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccc(C(C)(C)C)cc1)CC3 96759335 FEKAKPAZYDKLDC-QINSGFPZSA-N 364.514 5.262 0 40 FKAB C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)o1 96947980 JREMBPQYEKFAAR-DOHQZPEGSA-N 367.470 5.300 0 40 FKAB CCCCCC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 102112567 OSFNDDZNYOZTMY-HSZRJFAPSA-N 374.488 5.041 0 40 FKAB Nc1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1 216880858 AZAVYTNLOWCYAK-UHFFFAOYSA-N 359.479 5.822 0 40 FKAB C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)CCC2 223157263 SDKGLPSZXADFHV-WZGTUUFSSA-N 367.492 5.593 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCCOc2ccccc2)cc1C(C)C 223320244 DTCKFOPGIJRAMG-SFHVURJKSA-N 369.505 5.163 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C 223400638 PXRBSIAIOGJXER-CKMDTHJYSA-N 359.469 5.623 0 40 FKAB Cc1cc(C)c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 225642474 QXXIGPCKADWALW-UHFFFAOYSA-N 373.540 6.332 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 225711929 HNZRITQBTAKCHR-FQEVSTJZSA-N 356.535 5.528 0 40 FKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(C(C)C)n2)c1 585265021 CKLVXXYYVGNQIU-UHFFFAOYSA-N 361.441 5.458 0 40 FKAB Clc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1757699 DWYGBMJKORQIRA-UHFFFAOYSA-N 354.034 5.366 0 40 FKAB Cc1cc(Cl)ccc1OC(=O)Cc1coc2cc(C)c(C(C)C)cc12 3308468 WEIUSVCJGOAMTA-UHFFFAOYSA-N 356.849 5.975 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(Cl)cc1Cl 3338626 GLQAROQVOYCFHD-LBPRGKRZSA-N 353.318 5.301 0 40 FKAB Cc1ccccc1Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1 3352220 SYOQSYPMZYKXQU-UHFFFAOYSA-N 369.559 6.180 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NCC[C@]4(C)[C@@H]3CC[C@]12C 4023256 SAWPPQLIWVGNDH-OBLMWKTISA-N 359.642 6.670 0 40 FKAB O=C(CCSc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 4078584 NPRCAIARRSLMSV-UHFFFAOYSA-N 358.463 5.070 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccco2)N3)C1 4545733 APMNTGVKHXITMK-RHPXVONCSA-N 370.518 5.652 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc(-c3ccccc3)cc12 5561603 ZDZDHZGQXJEQAW-LJQANCHMSA-N 361.533 5.824 0 40 FKAB O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1ccccc1-c1ccccc1 5667798 YJINZDHDINSFGD-CVDCTZTESA-N 359.469 5.478 0 40 FKAB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 5678069 LUDYRLJUIVUWKQ-KPKJPENVSA-N 365.647 5.501 0 40 FKAB O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1c1ccccc1 5873307 PDAQOMOYBDRSJS-ZROIWOOFSA-N 350.226 5.234 0 40 FKAB O=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)SCc1ccccc1 6927478 USSKDXGUUSFJRP-PFONDFGASA-N 372.704 5.859 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 7073057 QTOLJQNFGWBICQ-QGZVFWFLSA-N 371.480 5.789 0 40 FKAB Cc1ccc(NC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c(C)c1 8369680 MBYRXGJMMWUXAK-UHFFFAOYSA-N 370.456 5.345 0 40 FKAB CCCCCc1c(C)c2cc3c(-c4ccc(F)cc4)coc3cc2oc1=O 11691921 SWQOIMUBAJZMDZ-UHFFFAOYSA-N 364.416 6.386 0 40 FKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(Cl)c1 14137652 NKNQIOJJNKQDTL-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 14257934 IXKPLKRCWYSQJH-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 16711506 VPWJWCCRKORTCG-NKFKGCMQSA-N 362.420 5.796 0 40 FKAB COc1ccc(C)cc1NC(=O)CCc1sc(C)nc1-c1cccs1 19933169 BTCJQXGCQGXDPC-UHFFFAOYSA-N 372.515 5.068 0 40 FKAB CC(C)c1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 28284604 HQILHHFKFPFZSB-UHFFFAOYSA-N 371.786 5.500 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 32772716 DBHNRCBBLQJYHU-HGZMWJMZSA-N 366.461 5.202 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C 33644800 YZJKEAJITIYJKL-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB Cc1ccc(/C=C2/CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(C)cc2)cc1 38189584 CPCCYTXCYNMEGO-CBIIRDDDSA-N 368.484 5.084 0 40 FKAB Cc1ccc(C)c(-n2c(S)nc3cc(-c4ccccc4)sc3c2=O)c1 100430495 GKJVFPKOROGQFP-UHFFFAOYSA-N 364.495 5.020 0 40 FKAB C1=N/CCCCCCC/N=C/c2ccccc2NCCNc2ccccc2/1 104206026 PRILACDJQKZFKE-SIHVKLMXSA-N 362.521 5.013 0 40 FKAB Clc1ccc(COc2cccc(CNc3ccccc3)c2)c(Cl)c1 107027196 UYYVCHUAZFYROK-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 215142169 ANXAVAPXTIEDBS-CXUHLZMHSA-N 361.825 5.024 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(Cl)c1 224995709 KJACTUBMALWORP-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1 225899679 NZALHKLKBPUIAA-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB COc1ccc2oc(-c3cccc(-c4nc5cc(OC)ccc5o4)c3)nc2c1 226237332 FWHUZTHACLBBGM-UHFFFAOYSA-N 372.380 5.320 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)cc1Cl 408601244 JHKIHHKMDKXBFB-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB Cc1ccc(Oc2ccccc2)c(NCc2c(Cl)cncc2Cl)c1 1776004911 RBHVAKZVECAQJA-UHFFFAOYSA-N 359.256 6.101 0 40 FKAB COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2049238398 PDFYDMTVIFSSKW-DCXDKPGMSA-N 372.593 6.401 0 40 FKAB Clc1cccc(SCSc2cccc(Cl)c2Cl)c1Cl 2362803834 RCJHJUSSJDJFJE-UHFFFAOYSA-N 370.153 7.142 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2cccnc12 856081 JMQGEQWKAAJVEZ-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB O=C(Nc1ccc(Cl)cc1)OCCSc1nc2ccccc2s1 1573520 ZKJALWCKLCBUBM-UHFFFAOYSA-N 364.879 5.291 0 40 FKAB Cc1ccc(C)c2c1Sc1c(ccc3ccccc13)N2CCCN(C)C 1608877 YVPBESDCGKPQTK-UHFFFAOYSA-N 362.542 6.011 0 40 FKAB Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)cc1 2119152 MZCJQWDMZQLYIP-LYBHJNIJSA-N 355.393 5.369 0 40 FKAB biogenic CC(C)c1ccccc1NC(=S)N1CCC(Cc2ccccc2)CC1 2354713 UJMBMWUBCLVYOH-UHFFFAOYSA-N 352.547 5.462 0 40 FKAB CC(C)c1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2919348 MSWWFYOZJZSEDP-QZTJIDSGSA-N 370.859 5.340 0 40 FKAB CC(C)C1c2cc3ccccc3cc2C(C(C)C)c2cc3ccccc3cc21 3028289 WIHDQIPMJABDDN-UHFFFAOYSA-N 364.532 7.882 0 40 FKAB CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4141325 MOWXARNTFQIZBD-LADGPHEKSA-N 370.452 5.328 0 40 FKAB CC1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 4282022 ZANPOYAXSSKGTP-YOMPXFNTSA-N 366.892 5.790 0 40 FKAB O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 4452632 VRIAJBLDZFHBRP-OAQYLSRUSA-N 370.876 6.586 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=N)Nc2ccc(Br)cc2)cc1 4955983 LZUSYFXNVMPVQU-AWEZNQCLSA-N 359.311 5.840 0 40 FKAB CCCCCCSCCO[C@@H](CCCC)CSCCCCCC 5418292 XKVPHAZCHLCENY-FQEVSTJZSA-N 362.689 7.189 0 40 FKAB Cc1cc(C)n(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1 6586171 CFGNMOFHZWADKC-UHFFFAOYSA-N 354.453 5.735 0 40 FKAB Nc1c(Cl)cc2oc(-c3cccc(Br)c3)nc2c1Cl 6925910 SBYMAWJOLJCEJF-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB Cc1cc(C)c2oc(-c3cc(NC(=O)C(F)(F)F)ccc3Cl)nc2c1 8053910 KROHBAOASHATJX-UHFFFAOYSA-N 368.742 5.266 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 9066459 IFZNGEUIPQKFEE-UHFFFAOYSA-N 365.245 5.156 0 40 FKAB C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 9711253 IQFVXQYCQBTRNE-GFCCVEGCSA-N 362.351 5.012 0 40 FKAB O=C(Nc1cccc(OC(F)(F)F)c1)c1csc(-c2ccsc2)n1 12912336 HSOLVZUENSUJEI-UHFFFAOYSA-N 370.377 5.023 0 40 FKAB Cc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 15228081 HVONOKCZZSXGMQ-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB Clc1ccc(C2=N[C@@H](C3CCCCC3)N3[C@@H](c4ccccc4)[C@H]23)cc1 19833603 YWYLMPYWIUGPLF-SVKILVKPSA-N 350.893 5.475 0 40 FKAB COc1ccc2c(c1)[C@H]([C@@H](C(C)=O)C(=O)c1ccccc1)c1ccccc1O2 19880317 NJMXHEIVFQAPSR-DHIUTWEWSA-N 372.420 5.021 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)CCc1ccccc1 20040591 ISPUUMSGSPKGJV-MBSDFSHPSA-N 361.485 5.135 0 40 FKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc2ccccc2o1 20139668 JNBRCLNIMGFPMW-UHFFFAOYSA-N 367.788 5.091 0 40 FKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(C)cc(C)c1 21580247 FDVASXFATAZZKK-UHFFFAOYSA-N 371.440 5.108 0 40 FKAB O/N=c1/cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 30822737 MHYUHMLPPRUCOI-GYHWCHFESA-N 361.441 5.418 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1Cl 30863356 NRAJZKQEYMMNKP-HNNXBMFYSA-N 352.261 5.406 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 33597032 PUFBECYWDSUZHU-OAHLLOKOSA-N 372.843 5.797 0 40 FKAB CCc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 35040493 QLYDMQZDHSNIMQ-LFIBNONCSA-N 359.903 5.308 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccco2)cs1 36395386 IGHNUDVSPBQARE-UHFFFAOYSA-N 367.455 5.087 0 40 FKAB CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCC)cc3)cc2)CC1 100003615 COTNZLSNYGTOSH-KDURUIRLSA-N 366.501 6.378 0 40 FKAB CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 100156658 PBIFTROFCZATFC-USTZCAOPSA-N 354.456 7.075 0 40 FKAB COc1cccc(/N=c2/ssc3c2-c2cc(C)ccc2NC3(C)C)c1 103438286 DLIWCKVTMCJDCC-XUTLUUPISA-N 368.527 5.687 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223021760 MDXRTDSUHWLJEK-VGOFRKELSA-N 367.558 5.622 0 40 FKAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc2c(c1)CCCC2 223126736 IZLCZIIBABXSGA-JOCHJYFZSA-N 365.517 5.335 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223492937 IHMOMRCRUCSJMG-UWJYYQICSA-N 373.924 5.608 0 40 FKAB Cc1ccc(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1C 225110404 SOUQZHXUNPCVTD-QFIPXVFZSA-N 362.425 5.170 0 40 FKAB Cc1nc(-c2cccc(NC(=S)NCc3ccc(Cl)cc3)c2)cs1 225179906 DIFZXKCKJHEZCP-UHFFFAOYSA-N 373.934 5.259 0 40 FKAB CCc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225673366 WYWOQPFKIOHSBG-SFHVURJKSA-N 354.519 5.146 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(F)cc2F)c2ccccc2)c1 225699418 AJQMBKVGVVLBPH-FQEVSTJZSA-N 368.452 5.349 0 40 FKAB CCOc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225808280 QDSHCVSEIRVVLN-UHFFFAOYSA-N 364.514 5.158 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 408681820 TXDCDUARGLYLLO-SFHVURJKSA-N 361.441 5.502 0 40 FKAB O=C1N(c2cccc3ccccc23)[C@H](c2ccc(Cl)cc2)N2CCCN12 636281 HQWTXOOWPXMPNR-HXUWFJFHSA-N 363.848 5.055 0 40 FKAB Cc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 666502 WXCPXBZZXSAPDE-UHFFFAOYSA-N 356.219 5.270 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(CC)cc2)cc1 706208 ZEIQSAYXZMXZIN-HSZRJFAPSA-N 372.468 5.419 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C)c1 948599 KZNBKKGCBAFNKY-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB CC(C)(C)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 1797615 AFCOKBLEAWYBLB-UHFFFAOYSA-N 362.469 5.548 0 40 FKAB Cc1cc(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 2091931 KLGASFBQRCQNCE-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic CCCCc1nc2sc3c(N(C)CCCC)ncnc3c2c2c1CCC2 2209845 LGXPFVOEPCHHLV-UHFFFAOYSA-N 368.550 5.307 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccnn1C1CCCCC1 2640192 ZZLWSPGBZRCUHU-UHFFFAOYSA-N 353.253 5.339 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3270099 FIRUZBRRSSACEQ-HRNYAPDYSA-N 360.384 5.006 0 40 FKAB Cc1cc(Nc2cccc(Cl)n2)n(-c2ccc(Cl)c(Cl)c2)n1 3290138 RMSKKDGVDJTHQT-UHFFFAOYSA-N 353.640 5.280 0 40 FKAB CCc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 3327580 KQVJLWZMLDVQTK-OLZOCXBDSA-N 366.288 5.201 0 40 FKAB Cc1ccc2c(c1)-c1sc(C(=O)Nc3cccc(Cl)c3)cc1CS2 4091864 AHJLKHRFKOEQEE-UHFFFAOYSA-N 371.914 6.235 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 4524101 IUOVUHKJLLXHLL-CJSKEXKKSA-N 364.316 6.261 0 40 FKAB CC1=C(C)[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N(C(C)(C)C)C1=O 4699613 LUECEIKBSLLEMU-JOCHJYFZSA-N 358.485 5.853 0 40 FKAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 4854529 KQHPHCQQIRHKLU-HXUWFJFHSA-N 365.864 5.087 0 40 FKAB Cc1ccc(-n2cc3c(-c4cccc5ccccc45)nnc(C)c3n2)cc1 5795059 YHVIYDLFIWZLPL-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1 6398138 BHQLUAPINCIGSO-UHFFFAOYSA-N 368.502 5.678 0 40 FKAB CC(=O)c1cn([C@@H](C)C(=O)Nc2cccc(Cl)c2C)c2ccccc12 6960695 CRJJWQWVLNYZRX-ZDUSSCGKSA-N 354.837 5.005 0 40 FKAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cccc(Cl)c1 7348747 ZQCOJVNZTBFBPO-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C(F)(F)F)cc1 7706044 QYWUYHXPCDPPJM-LLVKDONJSA-N 364.392 5.148 0 40 FKAB CCOc1cc(CNC2CC2)ccc1OCc1ccc(Cl)cc1Cl 8254567 YLZDASXLRHDYHX-UHFFFAOYSA-N 366.288 5.223 0 40 FKAB Cc1cc(NC(=O)CSc2ccc3ccccc3c2)c2ccccc2n1 12499064 OQYROOLYHBPGDP-UHFFFAOYSA-N 358.466 5.427 0 40 FKAB COc1c(C)cccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 14258034 VZFSDUXTOKRTEP-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB Cc1cc(C)c(NC(=S)NCCSCc2ccsc2)c(Cl)c1 15155733 JTNHXJWRWYZOKJ-UHFFFAOYSA-N 370.996 5.238 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(C)cc3C)cc2-c2ccc(C)cc2C)cc1 17075311 GJWMCZOKXYIFIU-UHFFFAOYSA-N 366.508 6.748 0 40 FKAB Cc1nc(CSc2ccccc2C(=O)N(C)c2ccccc2)cs1 29293143 RQDDSQRFPIVXDO-UHFFFAOYSA-N 354.500 5.020 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1Cl 38849700 ASYUVORZLPVCRY-OAHLLOKOSA-N 356.897 5.133 0 40 FKAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 40144884 BHHLRZLOXGMDDC-JTQLQIEISA-N 368.308 5.053 0 40 FKAB Cc1ccc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)o1 58414226 SGVNGSUVPFNGFE-GNISGLHKSA-N 357.862 5.222 0 40 FKAB O=C(C=C1CCCCC1)Nc1ccc(OCc2cccnc2)c(Cl)c1 65780012 KOCQAFQVLDPNTB-UHFFFAOYSA-N 356.853 5.143 0 40 FKAB c1ccc(COc2ccc([C@@H]3CCCCN3Cc3ccccc3)cn2)cc1 72212046 GFMAJFRLAZITRO-QHCPKHFHSA-N 358.485 5.388 0 40 FKAB CC(C)CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215445 AGHLVHDRAJMNKN-LJQANCHMSA-N 373.541 5.169 0 40 FKAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)[C@H](C)c2ccc(C)s2)n1 84205235 GYXOICQZSMWNFF-MRXNPFEDSA-N 368.506 5.084 0 40 FKAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@H](c2ccsc2)SC1 95473208 NNYKFOBOBUIJIX-HNNXBMFYSA-N 361.879 5.011 0 40 FKAB CC(/C=C\C=C(/C)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C)=C\C(=O)O 96171652 GVGQZXQAFNUDJB-PRRNPZCCSA-N 352.518 6.272 0 40 FKAB CCCCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105363814 ULKPKSITLDMDMJ-UTNFEIGLSA-N 365.558 5.325 0 40 FKAB biogenic Cc1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1Cl 106972107 AUNVAJLZYRLVRU-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1C 219303435 SPFCFCSDUVAKGK-FPOVZHCZSA-N 353.506 5.264 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c(C)c1 219529873 DZBKKEGJZQVTSQ-KRWDZBQOSA-N 353.462 5.031 0 40 FKAB C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2 223256676 IGVQDIGQWMSAAE-ZDUSSCGKSA-N 362.300 5.292 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1Cl 225719292 ZDUGDGWIHHMIIU-AUUYWEPGSA-N 353.890 5.053 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12 225898162 RLCTWUXFOZCMPW-QFIPXVFZSA-N 372.509 5.338 0 40 FKAB CC(C)Oc1ccc(NC(=O)C(C)(C)Cc2ccccc2)c2ccccc12 225942476 PSROFEHZENWBGJ-UHFFFAOYSA-N 361.485 5.834 0 40 FKAB O=C(Nc1cccc(Cl)c1)/C(=C/c1ccccc1Cl)c1ccccc1 408908208 VLHCNLRIOLOBLO-CPNJWEJPSA-N 368.263 6.173 0 40 FKAB O=C(Nc1cccc2ccccc12)c1sc(Cl)nc1-c1ccccc1 632973 DAVNVLYMCFQHTR-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c1C 645873 XTYNIWYDZBGAKF-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB O=C(C[C@@H](SCc1ccco1)c1ccc(F)cc1)c1ccc(Cl)cc1 706973 AGAOTMACFXQZBY-HXUWFJFHSA-N 374.864 6.320 0 40 FKAB CC(C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)o2)cc1 934713 VFSZRIXSNXFONW-UHFFFAOYSA-N 357.409 5.983 0 40 FKAB CCc1ccccc1N1C(=O)c2ccc(Oc3ccc(C)c(C)c3)cc2C1=O 992809 ILQAGPLNSXTURO-UHFFFAOYSA-N 371.436 5.459 0 40 FKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 1015341 DTFCRVAPEUHXJM-WXPCENJTSA-N 367.492 5.805 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 2086513 ZAUJUGOUXNUERQ-UHFFFAOYSA-N 358.485 5.663 0 40 FKAB CCCOc1ccc(OC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 3583836 PUVUPBCVKRXYLP-UHFFFAOYSA-N 371.820 5.311 0 40 FKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)[C@H](O)c1ccccc1 4403838 IUZXDEIEFTZAQM-BKKFENPESA-N 362.557 6.554 0 40 FKAB Cc1ccc(C(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)cc1 4980022 UQNUCFKXUIPQRK-UHFFFAOYSA-N 362.429 5.722 0 40 FKAB Fc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1F 5028591 MKBBRSOUFVCWDJ-UHFFFAOYSA-N 371.390 5.530 0 40 FKAB ClC1(Cl)[C@@H]2[C@H](c3ccccc3)c3ccccc3O[C@@]21c1ccccc1 5604292 OHYNJWCJIONDAU-NJYVYQBISA-N 367.275 5.910 0 40 FKAB Clc1ccc(SCc2cccc(-c3nc4ccccc4s3)c2)cc1 5949220 NCLSSEMABCZZEI-UHFFFAOYSA-N 367.926 6.909 0 40 FKAB Clc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 6058583 SSCLJZPHFTXQPQ-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB CCc1cccc(C)c1NC(=O)CSCc1ccc(Cl)c(Cl)c1 6152415 DJIQNXORTPXBIM-UHFFFAOYSA-N 368.329 5.736 0 40 FKAB CC(C)(C)c1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 6159420 NCJIUDNFZIJLNG-UHFFFAOYSA-N 366.502 6.108 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6168532 KCCRHWBPIJZZGL-RMPHQQPNSA-N 369.549 5.300 0 40 FKAB COc1cc(C)c(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1OC 6259068 LQFIMFHVKNIRNG-IBGZPJMESA-N 361.869 5.044 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1[C@@H]2[C@H]2CC[C@@H]1C2 6673400 HLZNOJRSHYTLRA-MERIUBAWSA-N 353.849 5.335 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc1 6747599 YUARKQMIMUPWMT-UHFFFAOYSA-N 367.420 5.050 0 40 FKAB CC[C@H](NC(=O)C(c1cccs1)c1cccs1)c1ccc(F)cc1 12199820 PXYHPRWZSKKRLB-HNNXBMFYSA-N 359.491 5.348 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccs2)cc1Cl 12543676 HWYNMYAKEHUAQH-SFHVURJKSA-N 370.861 5.181 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)c(C)c1 12562341 DKUVCGBODDVWHA-HNNXBMFYSA-N 365.502 5.174 0 40 FKAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)c1 13758150 UDERETUPSOSGOU-VWNXMTODSA-N 370.452 5.246 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccn2)nc2ccccc12 15413833 AUNYQXJTPZLGBX-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB COc1cccc(C(=O)N(C)[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 15670855 ZRRRLQKUKVFHHE-QHCPKHFHSA-N 370.452 5.038 0 40 FKAB Cc1cccc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 15835502 BHIBHIBLTNXMDR-NRFANRHFSA-N 360.482 5.399 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1Cl 20461833 VZOJDRDSPBZBEW-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB Fc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(Cl)c1 22517491 UUCVOSVKZKGDPQ-UHFFFAOYSA-N 372.705 5.127 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)c1 33777977 RGARWTGHLDMRCB-QTJGBDASSA-N 369.464 5.473 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl 64982318 PVNPYYPOYBJVID-MRXNPFEDSA-N 372.896 5.045 0 40 FKAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(Cl)cc2Cl)S1 71287047 YTPGRFQBPPQIFN-CYBMUJFWSA-N 356.278 5.363 0 40 FKAB C[C@@H]1CC=C(C[C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)C1(C)C 106937387 RKNFSNLCHNXQDD-CUHUQNRHSA-N 372.512 5.939 0 40 FKAB Clc1ccc(NCc2ccccc2OCc2ccccc2)c(Cl)c1 106971970 WHAGVGWDTYTJMA-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc(COc2ccccc2CNc2ccc(Cl)cc2Cl)cc1 106974746 ITEUIHCYTSZBEG-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCOC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924338 UEYAIUYANUAWRC-CVSNRTSLSA-N 374.609 6.625 0 40 FKAB Cc1cc(C)c(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c(C)c1 170564510 URWMZGMHKKZSBR-UHFFFAOYSA-N 360.461 5.015 0 40 FKAB CC1=C(C)[C@@H](SCc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 199414395 PIZGHKHKHILCHF-UZUQRXQVSA-N 365.542 5.446 0 40 FKAB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223016255 XZADYFFECLVWBT-ZGQNHIEXSA-N 353.893 5.500 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223047509 UGLYXNANTNMTHC-HXUWFJFHSA-N 369.530 5.474 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 223106314 IEYSJIQCVDZVIY-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB CC(=O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817349 XOOFWSKEHUVEJD-UHFFFAOYSA-N 355.437 5.395 0 40 FKAB in-vitro O=C(/C=C/c1ccccc1)NCCSCc1ccc(Cl)cc1Cl 408914447 WVBQVTMHJBSPBZ-RMKNXTFCSA-N 366.313 5.056 0 40 FKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 408923657 ZGZCCOCBYICYLY-KIJZHVTOSA-N 357.453 5.113 0 40 FKAB O=C(CSc1nc2ccccc2o1)n1c2c(c3ccccc31)CCCC2 849822 ATRMQBYXVCNPPB-UHFFFAOYSA-N 362.454 5.094 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1OCC 949061 CNOOTBHDKNQLNO-UHFFFAOYSA-N 364.445 5.171 0 40 FKAB Cc1cccc(C)c1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1 1370147 BTUHIRZCYMKQSQ-SFTDATJTSA-N 369.553 5.143 0 40 FKAB Cc1c(Cl)cccc1NC(=O)Oc1cc(Cl)c(Cl)cc1Cl 1640298 KEAHDEUZFCRXGT-UHFFFAOYSA-N 365.043 6.220 0 40 FKAB Fc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1F 2210518 NPCOAKNUAULLRW-UHFFFAOYSA-N 351.331 5.458 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cccc(Cl)c1 2556191 GDRUGQXXCSHOSV-FGZHOGPDSA-N 364.828 5.242 0 40 FKAB Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 2740957 GLOXZIXPBBMEAT-UHFFFAOYSA-N 368.214 5.757 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 3241812 UDPLEBPWIZXTOK-UHFFFAOYSA-N 363.436 6.016 0 40 FKAB Cc1ccc(N[C@@H](c2c[nH]c3ccccc23)P2(=O)O[C@@H](C)[C@@H](C)O2)cc1 3877391 SUJTZZWELBPEGF-OGDPSESOSA-N 370.389 5.604 0 40 FKAB CCC(=O)N(CC[C@@]1(C(C)C)CCO[C@@](C)(CC)C1)Cc1ccccc1 4073187 KGQNTWJYGRFRTB-XZOQPEGZSA-N 359.554 5.437 0 40 FKAB biogenic O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc(Cl)s1 4134642 LUEFABPESBGBHP-UHFFFAOYSA-N 370.886 5.515 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 4481733 DODWUPMGAZVXLR-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB COc1ccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 4690451 LJHQKNRRORWXGL-JTQLQIEISA-N 365.216 5.192 0 40 FKAB CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCCS1 5513402 YCNTYPIGYVTFBO-HOTGVXAUSA-N 374.590 7.121 0 40 FKAB in-man S=C(c1ccccc1OCc1ccc(Cl)cc1Cl)N1CCCC1 5867879 KYDCIHXLXMJOOQ-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB Cc1cc(C(C)c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 5959437 ZNXDRZUWXVDRPT-UHFFFAOYSA-N 354.534 6.461 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 6022975 IOZWKLQHKRFXCN-UHFFFAOYSA-N 370.924 5.880 0 40 FKAB COc1ccc(-n2c(N)c(-c3nc4ccccc4s3)sc2=S)cc1 6715058 LDSUNYVDXPXJKF-UHFFFAOYSA-N 371.512 5.136 0 40 FKAB CCOc1cc(CNCCc2ccccc2)ccc1OCc1cccs1 8254744 WYEZPQFCRSKJIM-UHFFFAOYSA-N 367.514 5.058 0 40 FKAB Cc1ccc(C(=O)c2sc(N3CCCCC3)nc2-c2ccccc2)cc1 8715564 LDCDCWSHWXJAMJ-UHFFFAOYSA-N 362.498 5.340 0 40 FKAB CCCCSc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccc(C)cc1-2 9186493 WCOCOQNLEXBHSV-UHFFFAOYSA-N 368.546 5.396 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)cc1Cl 12806609 DMXLXMCKXDNOKR-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)cc1 13218272 WEHGYWLYAWUDEC-UHFFFAOYSA-N 360.460 6.872 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14258418 IWXMAKZOZZUTPS-UHFFFAOYSA-N 358.441 5.062 0 40 FKAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(F)c1 15314112 JDFXWKRRXPTNFR-UHFFFAOYSA-N 371.415 5.239 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 20461468 HYZAIRCTENWXQE-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB Cc1ccc(C(=O)CCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C 40056864 QKDBFECRMSJNRD-KRWDZBQOSA-N 363.457 5.232 0 40 FKAB CCOc1cccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)c1 40139739 CUFIGVHAQLXYPV-DHDCSXOGSA-N 361.228 5.124 0 40 FKAB Cc1cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc(Br)c1N 73634780 NSHOAGCAUDKXIV-UHFFFAOYSA-N 371.065 5.190 0 40 FKAB Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)c(Br)c1 73639340 PMRJTVMKJGIKCS-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O[C@H]3C[C@@H]4[C@H](O3)[C@]3(C)CC[C@H]4C3(C)C)C[C@H]21 95871133 VUDXCBLBKXFCNA-HTFXFZDQSA-N 374.565 5.378 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 96171306 GWWVEUALXDKZLE-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB COc1nc2ccc(Br)cc2cc1Cc1cccc(Cl)c1 96675822 KBLPNVOUQLBKNJ-UHFFFAOYSA-N 362.654 5.250 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 222847799 SHFGVUATNJZCHZ-KRWDZBQOSA-N 373.924 5.288 0 40 FKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc2c(c1)CCCC2 223083427 RTCRRZONQMJLKX-HSZRJFAPSA-N 365.517 5.335 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223491847 VTPJMWDKLHRYNZ-AVRDEDQJSA-N 353.506 5.209 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(Cl)cc1Cl 225371602 SMXVSOXHWJLCGD-UHFFFAOYSA-N 350.289 5.997 0 40 FKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 245240322 PDFYDMTVIFSSKW-DGJNRDHSSA-N 372.593 6.401 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)N[C@H](C)CO 256930368 SQKRUBZPTNJQEM-HSEKBXBQSA-N 361.570 5.629 0 40 FKAB in-vitro O=C(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1OCc1ccccc1 257255166 KGJWGBJVBBGSDI-UHFFFAOYSA-N 372.342 5.650 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1Cl 408624564 XSYZDDKXFPXGBZ-UHFFFAOYSA-N 368.569 5.918 0 40 FKAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 409095390 HKCFUEVFRHRGGP-UHFFFAOYSA-N 357.910 5.404 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccccc2C)cc1 409115787 KNOIMAKYJSVTBT-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1c1ccc(Cl)cc1 409195556 QUSLRPKMMXHIQR-YRNVUSSQSA-N 356.255 5.296 0 40 FKAB CC/C(=C(\C1=CC=C=C[CH]1)c1ccc(OCCN(C)C)cc1)c1ccccc1 1570003471 GLNZSFVAWYJUNH-QPLCGJKRSA-N 370.516 5.803 0 40 FKAB CC[S@](=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 1775974128 LIHPWKYXZINZGA-SANMLTNESA-N 363.482 5.042 0 40 FKAB Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCCCC4)n3n2)cc1 1341201 DYOIDYFQCZKZFS-UHFFFAOYSA-N 368.484 5.362 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C)c(C)c1 1772956 YDAPDNCZXMRRDS-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB Cc1cccc(-n2sc3c(c2=S)-c2cc(C)cc(C)c2NC3(C)C)c1 2280065 ACOILBSNBQAKMU-UHFFFAOYSA-N 366.555 6.521 0 40 FKAB COP(=O)(OC)[C@H](Nc1ccccc1)c1ccc(Br)cc1 2333743 OQZLOYFRRCSQLK-HNNXBMFYSA-N 370.183 5.046 0 40 FKAB Cc1ccccc1/C=C/[C@@]12N=C(O)CCN1c1ccc(F)cc1C2(C)C 2449705 AUZZKSZTGIKHDN-RSNBEDGSSA-N 350.437 5.002 0 40 FKAB Cc1ccc(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 2650393 UOMRMNWWKJWLDH-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB CCC1(CC)O[C@@H](/C(Br)=C/c2ccccc2)Nc2ccccc21 4359627 SZKSLTLEAUBBMJ-FCUDFIOSSA-N 372.306 5.906 0 40 FKAB CCCCCC1CCC([C@H]2CCc3nc(-c4cccs4)ccc3C2)CC1 4599537 QZGSYXZNKVHEIS-MHJFOBGBSA-N 367.602 7.302 0 40 FKAB C[C@@H](NC(=O)c1sc2ccccc2c1Cl)C12CC3CC(CC(C3)C1)C2 5517124 RVXGCTNBYKFCAD-CSNVJCEJSA-N 373.949 5.889 0 40 FKAB Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)c(Cl)c1 5528420 BOOBOFHIQQHKGE-UHFFFAOYSA-N 361.257 5.105 0 40 FKAB C(=C1\CCCC[C@@H]2C1=NN(c1ccccc1)[C@@H]2c1ccco1)\c1ccco1 5947332 DBTDHOIKTFMTBK-WTXFVXPUSA-N 358.441 6.064 0 40 FKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 6454426 QEWRLWWZHNJUOG-JTQLQIEISA-N 370.699 5.222 0 40 FKAB Cc1c(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)oc2c(F)cccc12 6822616 LULKTCWCXALQQY-VAWYXSNFSA-N 372.399 5.698 0 40 FKAB c1ccc(Nc2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 8780182 LTHBKYBFBWUURP-UHFFFAOYSA-N 371.516 5.026 0 40 FKAB O=C1C[C@H](c2ccco2)Cc2c1c(Nc1ccccc1)nn2-c1ccccc1 10157224 AFHDOQRFRHHYLJ-MRXNPFEDSA-N 369.424 5.122 0 40 FKAB CC(C)c1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 10186201 PKMZCLCZMNUTLQ-QFIPXVFZSA-N 364.514 5.189 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)c3cc4ccccc4o3)o2)cc1 12887909 BTHWKTZPTYITKT-AWEZNQCLSA-N 373.408 5.386 0 40 FKAB CCCCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1 13785835 CTDNNVNTVMAAAL-LNVKXUELSA-N 370.493 5.787 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccccc2Cc2ccccc2)cc1C 14128858 XXJMQUNHMLZBBK-UHFFFAOYSA-N 361.510 5.625 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 17073603 JTCCKKXDAWJNET-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB N[C@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 19897260 XYWOIRSXJAXQRI-IBGZPJMESA-N 373.776 5.648 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 30847563 OBRPKUBPOLCASL-IBGZPJMESA-N 355.890 6.003 0 40 FKAB O=C(Nc1ccc2cc[nH]c2c1)c1ccc2c(ccn2Cc2ccccc2)c1 32100598 IVOQHJNQCALJLV-UHFFFAOYSA-N 365.436 5.423 0 40 FKAB Cc1noc(C)c1CCC(=O)Oc1ccc(Cl)cc1Cc1ccccc1 32894360 DHZWZIXQTVSQRT-UHFFFAOYSA-N 369.848 5.074 0 40 FKAB Fc1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1 38651612 ZQEPSDCGSQFUFO-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)c1ccc(F)cc1 40013707 GYSNVAFTJRDWAB-LBPRGKRZSA-N 369.267 5.154 0 40 FKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 44087155 OEPROKDEYXLOLL-UHFFFAOYSA-N 363.255 5.163 0 40 FKAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Cl)c1 57508820 XYKXAGQFBGZXCH-IFXJQAMLSA-N 370.905 5.108 0 40 FKAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1 59498090 IZMBHGWKQHJGCS-NRFANRHFSA-N 362.860 5.415 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c1 65695283 USLSMLKVSCJDSD-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCCCCCC2)cc1 72332669 LWTRYEPXNYFKFM-QHCPKHFHSA-N 374.528 6.451 0 40 FKAB CCCCCCCCCCCC[C@H](C(=O)O)c1cccc2ccccc12 81948304 QKIFRGHSBSAKFI-QHCPKHFHSA-N 354.534 7.319 0 40 FKAB CCN(CC)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)C(C)C 89967823 VFUXAAVNFGEROP-KRWDZBQOSA-N 353.432 5.032 0 40 FKAB C[C@H](N[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 94986217 OHYNAAXWPNIVOJ-RYUDHWBXSA-N 361.329 6.136 0 40 FKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 100495354 WSOOFVQQOJRHLQ-FCQUAONHSA-N 358.466 5.447 0 40 FKAB COC1C[C@@H]2CC[C@@H](C1)C2C(=O)N1c2ccccc2C=Cc2ccccc21 104723533 KWPDRIQPPFKLTA-LFDKBHOUSA-N 359.469 5.286 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NCC(=O)O 150374050 YLEARPUNMCCKMP-BHVWNTRMSA-N 361.526 5.333 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 196420652 SCSHRDRDAUTHLE-NSHDSACASA-N 373.827 5.156 0 40 FKAB Clc1cc(Cl)c2oc(-c3ccc4c(c3)-c3ccccc3C4)nc2c1 216773749 OKTUIISYYQUUGF-UHFFFAOYSA-N 352.220 6.373 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224282472 XQFKMEIUDKBQFH-KRWDZBQOSA-N 369.505 5.118 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224610448 HLBUWZMLHVYZST-MRXNPFEDSA-N 359.425 5.609 0 40 FKAB CCCCCNC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224667074 HAWOZSNUIUIGMO-UHFFFAOYSA-N 371.546 5.606 0 40 FKAB CCCc1ccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224981317 CCXGFRRBVASGFI-UHFFFAOYSA-N 373.496 5.044 0 40 FKAB CC(C)c1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225808081 IVVIBRITHPUDNO-UHFFFAOYSA-N 362.542 5.882 0 40 FKAB CCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12)C1CC1 225837210 IAFHJOQOJRYJRT-QRQCRPRQSA-N 355.478 5.161 0 40 FKAB CCc1cc(Br)cc(C)c1NC(=O)c1ccccc1Cl 226097652 ACOMYAFDPAPOBO-UHFFFAOYSA-N 352.659 5.226 0 40 FKAB Cc1ccc(C)c(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)c1 408528856 LNZATRMNSAJJBV-UHFFFAOYSA-N 354.409 5.133 0 40 FKAB O=C(NC1CCCCCCC1)c1ccc(CSc2ccccc2)cc1 408577324 YNVNTZLDLRJNLK-UHFFFAOYSA-N 353.531 5.822 0 40 FKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccccc1 409111577 CUQMDFJZXDTTSY-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C(c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 1382863 QAIIYMOYRSEIEW-UONOGXRCSA-N 370.073 5.742 0 40 FKAB C[C@@H](C[C@H](C)C(c1ccccc1)c1ccccc1)NCCc1ccccc1 1771836 VZZPVBUNJLZTII-VXKWHMMOSA-N 357.541 6.066 0 40 FKAB CCCCCOc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775057 NODQUUNICBNEOQ-UHFFFAOYSA-N 352.430 5.717 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1 2437565 XSXQHKKBQOYNGY-UHFFFAOYSA-N 356.516 5.605 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccccc1Cl 2556190 SFIYUOFJQWFWKH-FCHUYYIVSA-N 364.828 5.242 0 40 FKAB O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2789021 QVQZCSALKZJGPM-UHFFFAOYSA-N 360.034 5.147 0 40 FKAB Clc1ccc(Sc2snnc2-c2ccc(Cl)c(Cl)c2)cc1 3128717 GIZAKWSCWYEYFW-UHFFFAOYSA-N 373.717 6.317 0 40 FKAB CCN(C(=S)Nc1cccc(Cl)c1C)c1cccc2ccccc12 3254302 WWUBUGGKVSAIEP-UHFFFAOYSA-N 354.906 6.025 0 40 FKAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2ccccc2)cc1 3340421 IUAAYUXWMXNYOH-UHFFFAOYSA-N 370.279 5.933 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 4184747 SDKLKIBUDRTCMP-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1 4267142 KRWJRAPDTNHNSU-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4562060 HCVTXESBLPDBRY-IHLLOCCUSA-N 370.496 5.915 0 40 FKAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 4618325 OMNNKKGSFFCEFU-NSHDSACASA-N 358.290 5.308 0 40 FKAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccccc3)C[C@@H]21 5030345 LRPDOTWBSRVELO-UKAYHFCDSA-N 362.473 5.145 0 40 FKAB Cc1cccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1C 5390599 IYTYMXPQABDVRA-LICLKQGHSA-N 372.877 5.063 0 40 FKAB Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)c2ccccc12 5534252 QYOKUCFZPURHMR-UHFFFAOYSA-N 373.161 5.020 0 40 FKAB Cc1ccc(N=[P@](c2ccncc2)(N2CCCC2)C(C)(C)C)c(C)c1 5570744 HVGLDSAKTUDTRU-RUZDIDTESA-N 355.466 5.666 0 40 FKAB CCCCc1ccc(C(=O)CSc2nnc(-c3ccccc3C)o2)cc1 6054042 GBHMLXFAYQMBAA-UHFFFAOYSA-N 366.486 5.363 0 40 FKAB CCc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 6399105 HPAOBDRGTWZFNJ-UHFFFAOYSA-N 368.864 5.730 0 40 FKAB COc1c(C)cccc1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 6479194 CMWADRVTZNFURE-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB Cc1cc(C(=O)CSc2ccccn2)c(C)n1Cc1ccccc1Cl 6820655 SPHHCWSDKNVBEQ-UHFFFAOYSA-N 370.905 5.177 0 40 FKAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc2ccccc12 7699729 RBAYBYNHAQKROZ-ATVHPVEESA-N 358.466 5.172 0 40 FKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccccc1 8113847 NPYGIEAIXISBEA-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc3ccccc23)c1 8340825 XIXNNMNLBCGBRN-UHFFFAOYSA-N 372.424 5.276 0 40 FKAB CC(C)Sc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 8739050 CXXGSAQGFFPGRB-JOCHJYFZSA-N 368.546 5.332 0 40 FKAB Cc1cccc(OCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 9449198 RKZXWQKRBJMRLI-UHFFFAOYSA-N 357.759 5.075 0 40 FKAB C1CCC(CCCO[C@H]2OCCO[C@H]2OCCCC2CCCCC2)CC1 12618376 KLEJPDQZUKOUTD-SZPZYZBQSA-N 368.558 5.440 0 40 FKAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N(C)C)CC[C@H](C)C3 12812862 MSCMMUQSMVBMHM-ZDUSSCGKSA-N 364.514 5.098 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1cccc(Cl)c1 13039934 NJSJKQVMBBKCOY-MRXNPFEDSA-N 372.940 5.876 0 40 FKAB O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(Cl)c(Cl)c1 13915523 LYJKMJPHTQTRID-WZUFQYTHSA-N 369.045 5.249 0 40 FKAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14246901 HTCHAJGOHRJMHW-LJQANCHMSA-N 372.493 5.469 0 40 FKAB C[C@H]1CCc2c(sc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15085194 NLMOBQMMOIAEES-HZMBPMFUSA-N 365.420 5.366 0 40 FKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)oc2ccccc12 15833269 VQMOUXKDTOQUJX-CYBMUJFWSA-N 368.502 5.601 0 40 FKAB Cc1ccccc1Cn1nc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 17074212 KQYRSGFQGDBQPE-UHFFFAOYSA-N 360.407 5.852 0 40 FKAB Cc1ccc(C)c(Cn2nc(-c3ccccc3C)cc2-c2ccccc2C)c1 17075316 DJWYINSJBDQLJH-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)cc(Cl)c1 20039902 QAJPHMMOBNICLB-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB Cc1ccc(CNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 20238920 QXRPSGBNQZRXIT-UHFFFAOYSA-N 361.510 5.358 0 40 FKAB CCCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cc(C)ccc3nc21 21596592 JBTXJOBFOAFCJD-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB Cc1ccc([C@H](NC(=O)Cc2csc(C(C)C)n2)c2ccccc2)cc1 31698742 YMNFDWZXBUCKFE-OAQYLSRUSA-N 364.514 5.023 0 40 FKAB O=C1/C(=C\c2ccc(-c3ccccc3)cc2)N=C(S)N1c1ccccc1 34927067 GZCOCKSRYYNFEH-HMMYKYKNSA-N 356.450 5.027 0 40 FKAB CCCCCn1c(SCc2ccccc2F)nc2ccccc2c1=O 67259012 AYLUEWQGWLOIKE-UHFFFAOYSA-N 356.466 5.018 0 40 FKAB Cc1cc(F)ccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 71761238 MRFMFOPKQIGJCH-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215345 DPVJBLMBRCJOLT-IBGZPJMESA-N 373.541 5.169 0 40 FKAB O=C(N[C@@H]1CCc2cc(F)ccc21)c1[nH]c2ccc(Cl)cc2c1Cl 84459435 BJJWGELZWKZBFK-CQSZACIVSA-N 363.219 5.031 0 40 FKAB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914874 XFQZMLHHLMNCGB-QIRQPCKNSA-N 362.554 5.102 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c(C)c1 170569326 ZVVHGVIYHYWTPE-UHFFFAOYSA-N 360.461 5.015 0 40 FKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223098318 IQLVNQBKNHCELC-FGZHOGPDSA-N 369.480 5.129 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 224336460 STQRBHLZFDYGGF-LJQANCHMSA-N 364.533 5.196 0 40 FKAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 224644654 HTYRHUVRBZTSGO-UHFFFAOYSA-N 365.860 5.930 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225256173 AVGFBEXOFKNMKN-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(C(=O)N2CCCC2)c1 225480569 YCNXAGMOKBEGIP-UHFFFAOYSA-N 373.456 5.041 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1 225480721 ZBNZMPLKFAFLOC-CQSZACIVSA-N 367.287 5.026 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1F 225642891 FBNIHLBWWHCPNT-UHFFFAOYSA-N 374.264 5.013 0 40 FKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1Cl 225760633 DVCLTQCDHIHWLF-GOSISDBHSA-N 362.926 5.341 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(-c3ccc(Br)cc3)oc12 226247589 USPYYENREPQZNW-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247417124 QMRDTBCVNBSBEQ-YMTGICSTSA-N 369.464 5.835 0 40 FKAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](CCc3ccccc3)O[C@H]21 257245824 IRFUIKKFHSOENA-RBDMOPTHSA-N 352.474 5.335 0 40 FKAB CCCOc1ccccc1CNc1ccc(Br)c(Cl)c1 408557321 MNKUHFNYVJSWCM-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 408677378 DDYFAUAJFRFWBZ-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB COc1ccccc1[C@@H](Nc1ccccc1F)c1c(C)[nH]c2ccccc12 1298085 BKKALZKXSYLBSO-HSZRJFAPSA-N 360.432 5.826 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2069867 JTHQBJRRPXVKBQ-HNNXBMFYSA-N 372.896 5.747 0 40 FKAB CCCCSc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 2348916 UZMLTDQJFVINLM-UHFFFAOYSA-N 372.515 5.449 0 40 FKAB CCCCn1c(COc2ccc3ccccc3c2Cl)nc2ccccc21 2689226 CTSMIULAMMMKCT-UHFFFAOYSA-N 364.876 6.222 0 40 FKAB CCN(CC)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3167704 QOXJJNLGEPBPOX-UHFFFAOYSA-N 355.443 6.350 0 40 FKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1c(F)cccc1F 3211911 WHFPRGPCFBGICO-UHFFFAOYSA-N 371.770 5.102 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 3212086 BURNVDYRJIDPTD-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB Cc1ccccc1-n1cc(-c2ccc(Cl)cc2)nc1SC(F)F 3227022 DKQFYWVGKWIWSX-UHFFFAOYSA-N 350.821 5.816 0 40 FKAB CCOc1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1OC 3328127 ZMVLOMNIUOMYJB-UHFFFAOYSA-N 351.427 5.631 0 40 FKAB Fc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 3901158 VSZJIJMMBIPRNM-GYHWCHFESA-N 355.372 5.348 0 40 FKAB Cc1nc(-c2ccc3ccccc3n2)cn1Cc1c(Cl)cccc1Cl 4002655 XCNULICSXAEVCW-UHFFFAOYSA-N 368.267 5.762 0 40 FKAB CCCCOc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 4471916 XBADBQWOCLSEKT-JWGURIENSA-N 371.436 5.363 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 4699735 PPMTWSWQNAGAHL-UHFFFAOYSA-N 363.844 5.237 0 40 FKAB O=[S@](Nc1ccc2c(c1)oc1ccccc12)C12CC3CC(CC(C3)C1)C2 4717759 IDSCAIONINBKAA-NQSUFOHHSA-N 365.498 5.630 0 40 FKAB CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCC 4778127 SJKILKFUOWJLHT-UHFFFAOYSA-N 372.550 5.160 0 40 FKAB Cc1nc(SCc2coc(-c3cccs3)n2)c2c(C)c(C)sc2n1 4799323 WQGAVRVDHLSYLU-UHFFFAOYSA-N 373.528 5.625 0 40 FKAB Cc1ccc([C@@]2(CCN[C@@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 5032903 CGUCFXKLVWDOLG-WPYKKVEZSA-N 371.590 5.870 0 40 FKAB Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)N[C@H](C)c1ccccc1 5234456 RKGFLZVYPSIHFA-GFCCVEGCSA-N 374.267 6.053 0 40 FKAB S=c1ccn(CCCCCCCCCCn2ccc(=S)cc2)cc1 5373080 IMJVLPXADDFRHV-UHFFFAOYSA-N 360.592 6.570 0 40 FKAB CCCCOc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6264443 AHSKPQAAPDNSBS-UHFFFAOYSA-N 374.893 5.689 0 40 FKAB COc1cc2sc(NC(=O)c3cccc4ccccc34)nc2cc1Cl 6441341 GMKBYANBMMGDOE-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB Cc1cc(C)cc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 7504083 BFKZCLDSGLMQLX-NRFANRHFSA-N 355.441 5.555 0 40 FKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc2ccccc2c1 8071806 RCHOEGUNSQWUCN-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB CCn1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 8089874 SJERWAURWAZSAH-MHWRWJLKSA-N 360.866 5.019 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1 8196589 HHNPOOOJXNMDPZ-OAHLLOKOSA-N 350.462 5.993 0 40 FKAB CCCN(CCC)c1ncnc2c1sc1nc(C)c3c(c12)CCCC3 8628286 YPSLFUPYOBYARG-UHFFFAOYSA-N 354.523 5.053 0 40 FKAB COc1ccc(-c2cc(=S)oc3cc4c(cc23)CCC(C)(C)O4)cc1 8765103 LRXKJBRMVZKSBG-UHFFFAOYSA-N 352.455 5.941 0 40 FKAB biogenic C/C=C/c1ccc(OCCSc2nc3cc(C)ccc3[nH]2)c(OC)c1 9250288 FLMQJUFWHTZMMH-SNAWJCMRSA-N 354.475 5.084 0 40 FKAB c1ccc2sc(-c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2c1 11114601 QGSPKJSQEVEUKE-UHFFFAOYSA-N 351.540 6.493 0 40 FKAB Fc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)c(F)c1 13820606 BMCSVOKRRLAKAA-UHFFFAOYSA-N 354.425 5.041 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 22258094 VANTVPKKOBMSOJ-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1occc1-c1nnc(SCc2csc(Nc3ccccc3)n2)o1 25677265 VSXRXXJKABJHTN-UHFFFAOYSA-N 370.459 5.130 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSc2ccc(F)c(Cl)c2)cc1C 32719101 YQFKIAUQAONILF-CYBMUJFWSA-N 351.874 5.065 0 40 FKAB CC(C)C(NC(=O)c1ccc(OCCSc2ccccc2)cc1)C(C)C 44947853 WVWNPNHTSGXFPL-UHFFFAOYSA-N 371.546 5.268 0 40 FKAB Cc1cc(C)c2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57352881 JQKKWYOFRWVEOR-UHFFFAOYSA-N 351.475 6.095 0 40 FKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1C1CCCC1 59094281 PWJACLTYCLAXQJ-UHFFFAOYSA-N 370.905 5.457 0 40 FKAB CCCOc1ccc(Cl)cc1CNc1ccc(Br)cc1 106975771 RUVIDTNPIGCONC-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB C[C@H]1CCC[C@H](C)N1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 216799143 ROQQJDARBRCJCX-GJZGRUSLSA-N 354.881 5.911 0 40 FKAB Cc1cccc(CSCC(=O)Nc2ccccc2Oc2ccccc2)c1 222739395 KUZHSAYIJWWWCG-UHFFFAOYSA-N 363.482 5.659 0 40 FKAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224184398 FXIQMFKTCAPMNQ-UHFFFAOYSA-N 369.505 5.054 0 40 FKAB CCCCOc1c(C)cc(NC(=O)C2(OCCC)CCCCC2)cc1C 225658342 ZPKMOCMYZQSZJL-UHFFFAOYSA-N 361.526 5.550 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)c(C)c1 225711106 CHZKEROSOCFTIB-KRWDZBQOSA-N 366.452 5.760 0 40 FKAB Cc1ccc(CSCC(=O)Nc2ccccc2Oc2ccccc2)cc1 408576490 WEXIXNUIRITDPL-UHFFFAOYSA-N 363.482 5.659 0 40 FKAB CCCOc1ccc(Cl)cc1CNc1ccc(Br)cc1C 408604629 FDPCNQOCMOUIQG-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccccc2F)c1 409117790 NBLWJBVNPXFAEX-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COc1ccc(-c2cc(C)nc(SCc3cccc4ccccc34)n2)cc1 409385152 JOYQVDFACPWOPH-UHFFFAOYSA-N 372.493 5.906 0 40 FKAB CC(C)(CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccsc1 1889186487 QPXOUDRFWNFOLN-UHFFFAOYSA-N 363.526 5.364 0 40 FKAB CCC(CC)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 683192 SRWURFZCLRMZIA-UHFFFAOYSA-N 362.832 5.106 0 40 FKAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(F)(F)F 856758 QYTOOJMQSIVGAU-UHFFFAOYSA-N 368.405 5.046 0 40 FKAB O=C(CSc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 3283636 AOTINAHKMOGWLV-UHFFFAOYSA-N 353.390 5.290 0 40 FKAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 3515006 RENKPCWTCILQOJ-UHFFFAOYSA-N 360.693 5.055 0 40 FKAB CCCCC1CCC(C(=O)Nc2nnc(S[C@@H](C)CC)s2)CC1 4079432 ZSMBRWHFLVRNOQ-HSBZDZAISA-N 355.573 5.364 0 40 FKAB CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 4215293 ZZKWNLZUYAGVOT-UHFFFAOYSA-N 360.910 5.201 0 40 FKAB in-man O=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 4217296 GDHQAOKGZLRWCG-UHFFFAOYSA-N 365.432 5.163 0 40 FKAB in-man Cc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@H](c3ccco3)C2)cc1 4306654 GAYCSMRJYXITHU-LJQANCHMSA-N 364.832 5.233 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)NC1CCCCC1 5898281 HIUFXCUPXIABJU-UHFFFAOYSA-N 374.843 5.164 0 40 FKAB Cc1ccsc1[C@H]1Nc2ccccc2[C@H]2c3[nH]c4ccccc4c3CCN12 6674702 RMSNLCWEXPLUNX-GMAHTHKFSA-N 371.509 5.610 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1Br 6963688 AYNVUFGIINQPII-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@H]2CCCC[C@@H]21 7987574 IYFJSEBFOVBBRR-JPYJTQIMSA-N 371.484 5.092 0 40 FKAB Cc1cc(-c2csc(Cc3nc4ccccc4s3)n2)c(C)n1C1CC1 8133229 NCYQIEZGHFOWMW-UHFFFAOYSA-N 365.527 5.764 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 8562936 KIOWHDFPAZFGIP-UHFFFAOYSA-N 358.652 5.686 0 40 FKAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 9137736 VAONTEJIESYNOO-UHFFFAOYSA-N 372.468 5.027 0 40 FKAB O=C(c1ccc(F)cc1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185200 GWAFWEQRNZUSHH-QGZVFWFLSA-N 370.449 5.300 0 40 FKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 12194913 ILSQVBUIQAZJJU-NFBKMPQASA-N 374.509 6.114 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@@H](C)C5)[C@H](C)CCC3)c1 12610211 FPILJRVAZJCQIJ-HZPDHXFCSA-N 361.554 6.836 0 40 FKAB Cc1ccc([C@H](NC(=O)CCSc2ccccc2)c2ccccc2)cc1 15322055 MXYIXGZOEAMPRB-HSZRJFAPSA-N 361.510 5.383 0 40 FKAB Clc1cc(Cl)cc(CNc2ccc(OC[C@H]3CCCO3)cc2)c1 19738235 DACXPKOCFYTQRY-GOSISDBHSA-N 352.261 5.163 0 40 FKAB C[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 20492009 HNZXYPITZVDYEB-LJQANCHMSA-N 370.496 5.130 0 40 FKAB COc1ccc(-c2cc(C(=O)N(C)c3ccccc3)c3ccccc3n2)cc1 23243539 OTLPTNHSTMGREY-UHFFFAOYSA-N 368.436 5.187 0 40 FKAB CCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32593721 WCHWDCWVSSIHAG-UHFFFAOYSA-N 355.825 5.186 0 40 FKAB c1ccc(Cc2nc3ccccc3n2CCc2cccc3ccccc23)cc1 35167727 YLSHOWOLNLETQK-UHFFFAOYSA-N 362.476 6.023 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccccc4[C@H]3C2)o1 36352200 YHUCPPGUICXRCA-NQIIRXRSSA-N 364.832 5.484 0 40 FKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O 36440830 YHGJECVSSKXFCJ-KUBAVDMBSA-N 356.550 7.329 0 40 FKAB endogenous,in-man O=C(Nc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1cccs1 70758785 FGSVMCGQLZQRSL-KRWDZBQOSA-N 358.463 5.128 0 40 FKAB CC[C@@](C)(NC(=O)c1ccccc1)c1nc(-c2cc(C)sc2C)cs1 72294564 MUWPUQHRUIDKPW-HXUWFJFHSA-N 370.543 5.544 0 40 FKAB Cc1ccc(NC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2cccs2)s1 79046248 JNPQMBLJHKQJOB-HUUCEWRRSA-N 364.536 5.018 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223466894 CBYFOKRVQOFICK-PZJWPPBQSA-N 353.506 5.264 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(OC)cc1 224323223 KVVQSSVPNWZXNO-LAUBAEHRSA-N 369.505 5.162 0 40 FKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224600834 COBHRGIXBVVFPE-CQSZACIVSA-N 361.397 5.001 0 40 FKAB CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(OC)c(C)c1 225211153 NUQVPYFFQKKYBP-FQEVSTJZSA-N 351.490 5.083 0 40 FKAB Cc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1Cl 226287090 OBOWVROTXPYZLL-UHFFFAOYSA-N 374.827 5.617 0 40 FKAB C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)C1 226358000 STNOHSOGHQPZAB-BEFAXECRSA-N 362.425 5.196 0 40 FKAB O=C1[C@H]2CCCC[C@H]1[C@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 229959135 OFAKSWDVJNOYBN-MUGJNUQGSA-N 374.311 5.755 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(CSc2ccccc2)cc1 408908164 UKQGJKXMMQDQLF-XNTDXEJSSA-N 363.457 5.770 0 40 FKAB CCOc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408994879 HLJRZHDJKPBDBM-PKTBXOATSA-N 363.457 5.080 0 40 FKAB CCc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 409027976 WLOVSEDWNCALPC-LTGZKZEYSA-N 361.872 6.082 0 40 FKAB CCN(Cc1ccccc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 1069145 ADXITUFABCHCQF-JOCHJYFZSA-N 361.510 5.569 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Cl)cc1 1261993 DVAWYHIFYXSPTI-FARCUNLSSA-N 356.636 5.307 0 40 FKAB CCSc1nc(-c2ccc(OC)cc2)nc2c1Cc1cc(C)ccc1O2 2688030 VEQMSQBODKPFQQ-UHFFFAOYSA-N 364.470 5.269 0 40 FKAB Cc1ccc(C(=O)c2ccccc2C(=O)OCCCc2ccccc2)cc1C 3333819 IPVKLXYBFLRIDU-UHFFFAOYSA-N 372.464 5.324 0 40 FKAB CC[C@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 4106659 WGCHZPAAZDBMAC-AWEZNQCLSA-N 373.499 5.065 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccncc2)N3)C1 4109067 UTZQGBSECKTNMR-GUYCJALGSA-N 355.507 5.113 0 40 FKAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4322224 MUZUZXBNNZQLPH-RRIFHVCJSA-N 358.696 5.135 0 40 FKAB Clc1ccc([C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1 6097770 RNXLWANBOVVBBX-LJQANCHMSA-N 369.921 5.540 0 40 FKAB Cc1nc(Cl)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)n1 6939691 FHYFTHKKKYTTRE-UHFFFAOYSA-N 366.035 5.043 0 40 FKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 8087671 CYJKEPDXKOZXAO-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB CCCCC1CCC(C(=O)NC2c3ccccc3Nc3ccccc32)CC1 8916580 SXQCYMQADNKXCJ-UHFFFAOYSA-N 362.517 5.946 0 40 FKAB COc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc(Cl)c1OC(C)C 11214377 GFQWWMKCLQAUIF-IBGZPJMESA-N 373.880 5.017 0 40 FKAB CC[C@@H](C)c1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12553333 XOFXTHHQPUGRQH-DGCLKSJQSA-N 355.507 5.288 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 14400600 BVWIKZJPFZZUIY-CYBMUJFWSA-N 365.395 5.409 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CS(=O)(=O)c1ccc(C)cc1 17104313 IIMOCWXERPQCQP-DXMXTUCYSA-N 360.563 6.188 0 40 FKAB CCCCOc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1 19738142 ZAWBVUJWMYPBSK-UHFFFAOYSA-N 354.277 5.663 0 40 FKAB O=C(NCc1csc(-c2ccccc2)n1)c1c(Cl)cccc1Cl 20478402 TXOUDTQNDICRAF-UHFFFAOYSA-N 363.269 5.047 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NC1CCCCC1 22053507 YTVNBAJOGZYNBE-UHFFFAOYSA-N 363.383 5.097 0 40 FKAB Cc1csc(N(C(=O)CSc2ccccc2Cl)c2ccccc2)n1 25243195 GFONMAOYUGDYAU-UHFFFAOYSA-N 374.918 5.562 0 40 FKAB Cc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1 27580752 NRVRNWVONDVEKN-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB Clc1cccc(COc2ccc(CNc3ccccc3Cl)cc2)c1 33556282 XPWWSHJTOBLQDT-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3C)n2c1 35616262 HZYYGIBYSTYJRF-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(F)c1 35647319 GSFFDWYZLUOFHV-VGOFMYFVSA-N 367.232 5.024 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1c(C)noc1-c1ccc(Cl)cc1 35681756 YJOVPOCSVLMJKZ-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB Fc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)cc1 36614021 QDQAMIDNHWGSNN-UHFFFAOYSA-N 363.770 5.486 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)C1CC1 40096280 DWMCZAMWOIRCAZ-UHFFFAOYSA-N 350.506 6.130 0 40 FKAB O=C(c1ccc(CSc2nc3cc(Cl)ccc3o2)cc1)N1CCCC1 48725714 DPRFCAJYYXYFTM-UHFFFAOYSA-N 372.877 5.010 0 40 FKAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(Cl)s1 57281312 MAIFPVPSKGWEEC-UHFFFAOYSA-N 370.905 5.286 0 40 FKAB Clc1ccc2oc(Nc3nc4c(Cl)c(Cl)ccc4s3)nc2c1 57352962 MAEIFEMGPHDTGB-UHFFFAOYSA-N 370.648 6.141 0 40 FKAB CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213558 VVKJABXTCUZHES-PXNSSMCTSA-N 367.493 5.156 0 40 FKAB c1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)cc1 85714668 OPOMAWRFBYTVIL-UHFFFAOYSA-N 350.381 5.014 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 100066775 QBYJBZPUGVGKQQ-HQWHBTJSSA-N 364.914 5.270 0 40 FKAB in-vitro COc1ccc(-c2nnc(-c3ccc(OCc4ccccc4)cc3)s2)cc1 199409267 HZVWTVQVUOYWJM-UHFFFAOYSA-N 374.465 5.460 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 199719971 IVYQPUITOZQKKV-UHFFFAOYSA-N 352.356 5.482 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218961726 UUBCFRGTGRTYHK-UHFFFAOYSA-N 373.452 5.059 0 40 FKAB CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 223012783 JHHUNTPNIKYTFU-LJQANCHMSA-N 362.300 5.753 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc2c(c1)CCCC2 223097484 VSUOZUHBYIWDNG-XZOQPEGZSA-N 365.517 5.299 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1C(C)C 223378827 ZCPHFYQGMBJNJX-IBGZPJMESA-N 367.533 5.554 0 40 FKAB COc1ccc(C(=O)NCCC(C)C)cc1CSc1ccc(C)cc1 224341651 QTNVFANTGWIWTI-UHFFFAOYSA-N 357.519 5.072 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224471448 WEJJYSGJUGUMBA-FQEVSTJZSA-N 373.452 5.999 0 40 FKAB Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1Cl 225659181 STUMTHMBYQAPBT-OAHLLOKOSA-N 360.954 5.691 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc12 225676525 UXXAQPVRWZMPKS-UHFFFAOYSA-N 373.496 6.079 0 40 FKAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c1 225827877 WGSOEVBMTHAGDP-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 225870585 YMEDNLBSQQKWPC-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 408721924 MYKLJVHXOMVOGN-UHFFFAOYSA-N 365.436 5.371 0 40 FKAB Cc1cccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)c1 409107779 QKZBPDUPRORLHS-UHFFFAOYSA-N 357.482 5.535 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccnc1 809528 UNMQPYOKBVQSOK-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc21 835914 ATHMWDKFTHWIDR-UHFFFAOYSA-N 361.894 5.039 0 40 FKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccccc1F 982932 MMOCNMCPINVNRT-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 1015339 DTFCRVAPEUHXJM-OVVICAPSSA-N 367.492 5.805 0 40 FKAB CCc1nc(SC/C=C(\C)Cl)c2c3c(sc2n1)COC(C)(C)C3 2336474 ABEGFEXIYXADDD-UXBLZVDNSA-N 368.955 5.340 0 40 FKAB Cc1ccccc1CSc1ncnc2sc(C)c(-c3ccccc3)c12 2888478 CMXRTFVYLOZIPH-UHFFFAOYSA-N 362.523 6.267 0 40 FKAB CCc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 3115794 COCYDONNNXNQPX-UHFFFAOYSA-N 356.513 5.891 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)Oc1cccc(C(F)(F)F)c1 3410186 TZZYLTIXNZYTIO-UHFFFAOYSA-N 370.326 5.753 0 40 FKAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1-c1ccccc1 3452764 HIIXEUJIRIQCBO-UHFFFAOYSA-N 368.480 5.081 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2ncsc2c1 4032385 VUJRZXWSDYGTDG-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CCC2=O 4083598 NIXXKMPUWREKQR-XIQUIRNFSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro CC1=N/C(=C/c2cc3ccccc3nc2Sc2ccc(C)cc2)C(=O)O1 4115696 SKFHNHXUVAYALN-XDHOZWIPSA-N 360.438 5.011 0 40 FKAB C[C@@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 4427712 CTWBZPZGQUGJLG-WUMKDDEVSA-N 368.500 5.051 0 40 FKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Cl)c1 4560685 ZDKYMTGIPNVMCE-UHFFFAOYSA-N 365.904 6.060 0 40 FKAB C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccccc1 4663595 JOWSFZRBXSGBFR-GOSISDBHSA-N 354.453 5.181 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(C(F)(F)F)c1 4719193 PDHBCOCXPWNRQD-UHFFFAOYSA-N 371.786 5.465 0 40 FKAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccccc3)C[C@H]21 5030350 LRPDOTWBSRVELO-VRVFXRSRSA-N 362.473 5.145 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(C(F)(F)F)c1 5192667 GIESDMPBIJNEKF-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)ccc1Cl 5234070 VBDRHQLEYIOUSV-UHFFFAOYSA-N 357.862 5.116 0 40 FKAB CCOc1ccc2nc(SCc3cc(F)c(F)cc3Cl)sc2c1 5908261 HIAOUPRCJOTPRX-UHFFFAOYSA-N 371.861 5.919 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 5951247 QKIHCOCXVDIEOD-UHFFFAOYSA-N 365.395 5.917 0 40 FKAB Cc1ccccc1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 6302786 XQPJRSHCEORWTC-UHFFFAOYSA-N 357.478 6.609 0 40 FKAB CCCCc1ccc(NC(=O)CSc2nnc(C3CCCCC3)o2)cc1 6374325 HCVLBDAFNBJDRP-UHFFFAOYSA-N 373.522 5.191 0 40 FKAB CCCCOc1ccc(C2=NNC(c3ccco3)=Nc3ccc(C)cc32)cc1 6480974 KBIYVKJXBHRTBA-UHFFFAOYSA-N 373.456 5.201 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(OCc2csc(C)n2)cc1 7918768 YIAHSGMHXLKKOC-UHFFFAOYSA-N 366.486 5.154 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Br)cc1 8049227 WNNRAKGZCSOFSX-UHFFFAOYSA-N 350.281 5.202 0 40 FKAB Fc1ccccc1-n1cnnc1SC(c1ccccc1)c1ccccc1 10037727 UCNBJIKYNLDXNF-UHFFFAOYSA-N 361.445 5.288 0 40 FKAB COc1ccc(F)cc1-c1csc(Cc2nc3ccccc3s2)n1 12787720 GTAMAHADUFOJBR-UHFFFAOYSA-N 356.447 5.158 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 13709368 HRZFQRFGWVRTIL-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(F)(F)F 14429796 OEKBCZIJQDOJQI-UHFFFAOYSA-N 355.359 5.554 0 40 FKAB O=C(C[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccccc1 16971000 WTKRBWMQAHGKHB-HXUWFJFHSA-N 365.270 5.854 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2c(C)c(C(=O)c3ccccc3)oc2c1 17135877 HDDMJTLRUSUFDL-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB biogenic O=c1oc2ccccc2c2c1[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)O2 19897617 UUZJMTRXPLSITF-LJQANCHMSA-N 370.379 5.498 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 20035974 ZIZZRZOPQHQTDV-VXKWHMMOSA-N 353.506 5.364 0 40 FKAB Cc1nc(Nc2cc(Cl)ccc2Oc2ccccc2)sc1C(=O)O 20156579 DMZPZIBQUSPOCZ-UHFFFAOYSA-N 360.822 5.339 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C(C)C 20452145 CPDQVRDQGYEPEF-SFHVURJKSA-N 361.938 6.281 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2)cc1 30872729 LJIUTBSWHPGEKZ-QFIPXVFZSA-N 369.505 5.101 0 40 FKAB Cc1nn(C(C)C)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 36616888 LQCDRUJUSUXNNQ-UHFFFAOYSA-N 370.230 6.232 0 40 FKAB Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccccc1 38756141 AQLKXKKWJFFYFN-GBXCKJPGSA-N 373.496 5.285 0 40 FKAB Brc1ccc(-c2ccc([C@@H]3C=Cc4ccccc4C3)cc2)cc1 50400185 IKIUSSGGHKEPRW-OAQYLSRUSA-N 361.282 6.469 0 40 FKAB in-vitro Fc1ccc([C@@H]2C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1 101218758 QNLCNRIJDAJCIB-PZJWPPBQSA-N 361.395 5.461 0 40 FKAB C[C@@H](NC/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12 115880045 WFYGIZJPNJFYOP-IQIBNGDESA-N 355.403 6.223 0 40 FKAB Fc1ccc(CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 170134709 CTYWEIAONGUBII-UHFFFAOYSA-N 356.828 5.299 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CCCSc1ccc(Cl)cc1 222684142 XNDOWSKWWNDSHW-UHFFFAOYSA-N 354.302 5.813 0 40 FKAB CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C 223270294 XIMPUOKGNJTVIF-HSZRJFAPSA-N 359.469 5.222 0 40 FKAB CCO[C@@](C)(C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1)C1CC1 225725657 SKXRMWTZRLECBV-HSZRJFAPSA-N 367.489 5.026 0 40 FKAB Cc1ccnc(N(Cc2ccc(Cl)cc2Cl)C(=O)OC(C)(C)C)c1 228947990 LMRPZURHUBFNML-UHFFFAOYSA-N 367.276 5.639 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@H](C)C1 260814454 IJRROPUHENNOKO-SGXKBVARSA-N 361.526 5.486 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cs1 409086423 VNOCGXJQKALMNI-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB Cc1cc(C)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)c1 409128558 PNOQPSFSOSGZMR-XSFVSMFZSA-N 365.498 5.281 0 40 FKAB O=C(OC[C@H]1CC[C@H](CO)CC1)N(c1ccccc1)c1ccc(Cl)cc1 1542984508 SOTUVEZYMKEAIA-QAQDUYKDSA-N 373.880 5.413 0 40 FKAB CC1=Nc2cc(C)ccc2Oc2c1c(=O)n(-c1ccccc1)c1ccccc21 1084159 KUVBAIHWIFOMHK-UHFFFAOYSA-N 366.420 5.546 0 40 FKAB Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)O 1578570 GBGDJTGJJQHTCJ-UHFFFAOYSA-N 363.432 6.095 0 40 FKAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1ccccc1Cl 2424120 CROLGMNCQXTWCB-ZOXUKVPXSA-N 352.865 5.208 0 40 FKAB Cc1cccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c1C 2769543 VCAPARBSYTWFEZ-UHFFFAOYSA-N 371.480 5.623 0 40 FKAB Cc1sc(-c2c(F)cccc2F)nc1OCc1ccc(Cl)cc1 3128627 BAMCGKOAAQRWPZ-UHFFFAOYSA-N 351.805 5.629 0 40 FKAB COC(=O)CCCc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c12 4137194 VAUYGBZTEDZAKW-UHFFFAOYSA-N 363.244 5.032 0 40 FKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 6639816 KEMUPQLUNRDIPB-FQEVSTJZSA-N 374.871 5.383 0 40 FKAB CCCCCN(CCCCC)CC(=O)Nc1cc(C)nc2ccccc12 6663982 MHAQQKBQNDYPLT-UHFFFAOYSA-N 355.526 5.164 0 40 FKAB Cc1c(C(=O)Nc2cc(F)ccc2F)oc2ccc(Br)cc12 7004922 UBOYXPDQQOVHEC-UHFFFAOYSA-N 366.161 5.034 0 40 FKAB CCc1cccc(C)c1NC(=O)COc1ccc2oc3ccccc3c2c1 7647058 BQHPJRPTJQAQFK-UHFFFAOYSA-N 359.425 5.474 0 40 FKAB COc1ccc2cc(C(=O)CSc3nc4cc(C)ccc4[nH]3)ccc2c1 12624105 UKQVAYHBGJFLQU-UHFFFAOYSA-N 362.454 5.008 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(O)cc1 12630011 VWFGCBVCVNWHSH-UHFFFAOYSA-N 355.441 5.072 0 40 FKAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 13154132 MUZUZXBNNZQLPH-IGQOVBAYSA-N 358.696 5.135 0 40 FKAB CC(C)(C)OC(=O)N1CCC(c2ccc(OCc3ccccc3)cc2)CC1 16697187 ZAMAOAKAEZPBBM-UHFFFAOYSA-N 367.489 5.380 0 40 FKAB CCN(CC)c1nc(/C=C\c2ccc(Cl)cc2)nc2ccc(OC)cc12 17299593 VZMRCJJGKHJHHQ-JYRVWZFOSA-N 367.880 5.308 0 40 FKAB CCCc1cc(Nc2cccc(OC)c2)n2ncc(-c3ccccc3)c2n1 23114896 IDMUPEGHSHQXJV-UHFFFAOYSA-N 358.445 5.101 0 40 FKAB C[C@@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc2S1 24585837 XENXGXUEAOATHJ-GFCCVEGCSA-N 372.540 5.403 0 40 FKAB CCOc1cc2c(-c3cccs3)cc(C(F)(F)F)nc2cc1OC 24926969 AJZLHFDJIXIJCL-UHFFFAOYSA-N 353.365 5.389 0 40 FKAB COc1ccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 26424373 DWVUJZNQHMXMDM-UHFFFAOYSA-N 366.364 5.109 0 40 FKAB O=C(Nc1sc(-c2ccccc2)nc1-c1cccs1)c1ccco1 27793415 OKHZYDWKMMPZEU-UHFFFAOYSA-N 352.440 5.384 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccc(F)cc3c2C)o1 28231962 RNLVZZOXEKUTAP-UHFFFAOYSA-N 367.376 5.217 0 40 FKAB CCOC(=O)c1cccc(Nc2c(-c3ccccc3)nc3cc(C)ccn23)c1 35622068 XUWMZOUFFMREIK-UHFFFAOYSA-N 371.440 5.230 0 40 FKAB Fc1ccc(-c2cnc(CSc3nccn3-c3cccc(F)c3)o2)cc1 36648301 NSUFNJJRVXLKQQ-UHFFFAOYSA-N 369.396 5.098 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl 44884346 XZRKWMHTCXUSMW-HNNXBMFYSA-N 372.679 5.121 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)no2)cc1 46086507 XLBZNDBMLJDZTF-UHFFFAOYSA-N 364.445 5.390 0 40 FKAB Cc1nc(CN(C)C(=O)c2ccccc2Nc2cccc(C)c2C)cs1 58412263 HMUCULIVKNNGMN-UHFFFAOYSA-N 365.502 5.084 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 58839958 JXJZFTWBIYPVGP-JTQLQIEISA-N 358.652 5.361 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 59294221 ASTRWKDLKYGELY-KRWDZBQOSA-N 367.533 6.294 0 40 FKAB CC(C)(C)n1cnc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc21 75278176 KFFPWUHBXSRICT-UHFFFAOYSA-N 362.260 5.350 0 40 FKAB CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223016748 IMSTUXRIYQLCJB-NRFANRHFSA-N 353.531 5.233 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 408627120 KJUUKOVDVSZEKP-VGOFMYFVSA-N 373.843 5.535 0 40 FKAB CCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 408629329 XDDFUZSREZAKDC-UHFFFAOYSA-N 372.896 5.227 0 40 FKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 408923446 XVZZQWXQYBLIPE-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB CCOc1ccc2ccccc2c1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409114545 IEOXMWSSWKFODG-JCMHNJIXSA-N 371.480 5.782 0 40 FKAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 1003764 ZUBPPYVENBVDGN-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB O=C(N[C@H](c1ccccc1)C(Cl)(Cl)c1ccccc1)c1ccccc1 1712328 CZHBXWZDLKZHAW-LJQANCHMSA-N 370.279 5.488 0 40 FKAB O=C(/C=C/c1ccccc1)Oc1ccc2cc(Br)ccc2c1 2069547 QMVORYZKJBSZEV-IZZDOVSWSA-N 353.215 5.221 0 40 FKAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(Cl)cc1 2157841 AZQZPPARXSAMBV-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB CCCCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 2302991 YLXYJVXSJVQDJT-UHFFFAOYSA-N 368.440 5.571 0 40 FKAB Clc1cccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)c1 2359403 NTZKIJAUWPINPM-UHFFFAOYSA-N 369.855 6.545 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1Cl 2649590 CMUUIYCEEKBJTI-UHFFFAOYSA-N 362.829 5.603 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1Br 3271511 BKLOYQDGTPIMNY-UHFFFAOYSA-N 360.034 5.113 0 40 FKAB C[C@H](NCC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 4028853 RWXOIELWFZDPDK-TUACAJSNSA-N 365.561 5.791 0 40 FKAB biogenic COc1ccccc1-c1coc2cc(Nc3ccc(C)cc3)ccc2c1=O 4372133 IAFUMTKQRCBWLV-UHFFFAOYSA-N 357.409 5.521 0 40 FKAB biogenic CC(C)(C)c1ccc(-c2nnc(NC(=O)CCc3ccccc3)s2)cc1 4578459 HHANKGGXXCFRDK-UHFFFAOYSA-N 365.502 5.074 0 40 FKAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 4662657 ZMMAYTNESFRHRK-UHFFFAOYSA-N 358.696 5.802 0 40 FKAB COc1cc(CNCc2cccs2)ccc1OCc1cccc(Cl)c1 5019841 YXZPUNVUPNERPS-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)cc1Cl 5466193 PGTJWHNGNXMQHB-UHFFFAOYSA-N 352.261 5.136 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 5899038 HJIPEQICMPIYJV-UHFFFAOYSA-N 360.910 5.061 0 40 FKAB Clc1ccc(COc2ccc(CNC3CCCCCCC3)cc2)cc1 7522207 NIIJDTIPNBFQMM-UHFFFAOYSA-N 357.925 6.122 0 40 FKAB Cc1c(C(=O)N[C@H]2CCSc3ccccc32)oc2ccc(Cl)cc12 7990114 FSWMOPGWUWQGFY-HNNXBMFYSA-N 357.862 5.362 0 40 FKAB COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl 8161646 ZKIIDCXTQFKVEO-UHFFFAOYSA-N 361.681 5.464 0 40 FKAB CCCCNC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 8687944 YFBXBGBMQKLKQL-UHFFFAOYSA-N 355.532 5.358 0 40 FKAB aggregator Cc1ccc(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 10009788 VQNHVAQZTUUAEM-UHFFFAOYSA-N 373.540 5.952 0 40 FKAB COc1cccc2cc(-c3csc(NC(=O)c4cccc(C)c4)n3)oc12 10747463 JYXMVARMLRUXSS-UHFFFAOYSA-N 364.426 5.126 0 40 FKAB C[C@]1(c2cccc3ccccc23)Nc2ccccc2-c2nc3ccccc3n21 13776980 MPERLBUNVVYSOI-VWLOTQADSA-N 361.448 6.003 0 40 FKAB COc1ccc(Cc2c(Cl)nc(SC)nc2SC(C)(C)C)cc1 15584157 UVEJRRVPPMXTIU-UHFFFAOYSA-N 368.955 5.342 0 40 FKAB CCCc1nnc(-c2cc3ccccc3n2Cc2c(F)cccc2Cl)o1 15881478 PGHBJMDCAYMYGI-UHFFFAOYSA-N 369.827 5.485 0 40 FKAB CCCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCC)cc2)cc1 16637204 WLRBHFTXZPIXMU-UHFFFAOYSA-N 356.491 5.315 0 40 FKAB C[C@@H](Nc1nc2ccccc2nc1N[C@H](C)c1ccccc1)c1ccccc1 16778546 VWOHMLSLHIFAMF-QZTJIDSGSA-N 368.484 5.976 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=S)Nc2ccc(Cl)cc2Cl)C1 19075258 OTBFWMJIFLSYBW-SJCJKPOMSA-N 357.350 5.591 0 40 FKAB CC[C@@H](c1ccc(OC)cc1)N(C)CN(C)[C@@H](CC)c1ccc(OC)cc1 19323868 YXAIRMNQLUEZSJ-GOTSBHOMSA-N 370.537 5.127 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19690595 ASPAGCBEUBBHEK-QHCPKHFHSA-N 374.459 5.102 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cl 19932337 NCSYDYAKXASEEE-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 20457532 PRYDQPUTOXUSAH-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1ccc(F)cc1)C1CC1 21630688 QTVXRZCCYDASSK-UHFFFAOYSA-N 372.490 5.124 0 40 FKAB Cc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c(C)c1 22245749 XIYABQISSOFSJM-UHFFFAOYSA-N 355.438 5.203 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3-c3cccs3)cc2c1 25876851 CDKJUZZESSYHNS-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB Cc1ccc(/C=C2/CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(C)cc2)cc1 33357559 CPCCYTXCYNMEGO-QFXXMJIKSA-N 368.484 5.084 0 40 FKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 35496648 XCTJAVKFSVMULV-UHFFFAOYSA-N 371.509 5.459 0 40 FKAB Cc1cccc(-c2csc3c(=O)n(Cc4ccc(Cl)cc4)cnc23)c1 44166790 IWVRZVUQYQWVNM-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB Fc1ccc([C@@H](NCc2coc(-c3cccs3)n2)c2cccs2)cc1 57383586 IUTSDHHFCWWBTI-GOSISDBHSA-N 370.474 5.483 0 40 FKAB Cc1cccc(-c2csc(C(=O)NC3CCCCC3)c2-n2cccc2)c1 67245127 KNQDBRSFKSDBDC-UHFFFAOYSA-N 364.514 5.577 0 40 FKAB Cc1cc(Br)ccc1NC(=S)Nc1cccc(F)c1C 71760543 XQEBGKMNSGEPHB-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 78458246 FOBSYSFGAZUKGG-MSOLQXFVSA-N 353.506 5.326 0 40 FKAB CN(CCCNc1cc(C(F)(F)F)nc2ccccc12)Cc1ccccc1 89346028 RDCAJDULOLPCGV-UHFFFAOYSA-N 373.422 5.188 0 40 FKAB C[C@]12C[C@@H](c3ccccc3)N(Cc3ccccc3)[C@H]1CCCCC2(F)F 95951588 QLHHPUDOSJNERU-FKBYEOEOSA-N 355.472 6.218 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H]4C(F)(F)[C@@]45C=CCC[C@]5(C)[C@H]3CC[C@]12C 118936518 SGMJHXMWTPRENE-WBODHPSISA-N 364.476 5.372 0 40 FKAB CC1=C(C)[C@H](SCc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 199414415 PIZGHKHKHILCHF-HXOBKFHXSA-N 365.542 5.446 0 40 FKAB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)c(C)c1 224870369 DFCJCBNGCPTLDB-JOCHJYFZSA-N 359.469 5.552 0 40 FKAB Cc1ccccc1[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 225630239 VZYHJGDGWZZEMS-XMMPIXPASA-N 355.481 5.393 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3ccc(C)cc3C)CCCC2)cc1 225841678 HCXPREVHUKIUKB-UHFFFAOYSA-N 368.546 5.458 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253617387 KIQFUORWRVZTHT-IWGVVXIASA-N 374.565 5.715 0 40 FKAB Cc1ccccc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 409109998 PEPNTSSXBPZYBW-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB COc1ccc(-c2nc3ccccc3c(C(=O)NC3CCCCC3)c2C)cc1 672783 HBZDEZNICBECKY-UHFFFAOYSA-N 374.484 5.281 0 40 FKAB COc1cccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c1 840472 HIORUUZRQAWFBA-LWCKNFILSA-N 369.464 5.177 0 40 FKAB COc1ccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCCCC5)cc1 2093869 JUEDKUJQJAIPDS-UHFFFAOYSA-N 360.409 5.484 0 40 FKAB biogenic Fc1ccccc1-c1nc(Oc2ccc3ccccc3c2)c2ccccc2n1 2228847 LBFCWBOOVRFLKH-UHFFFAOYSA-N 366.395 6.381 0 40 FKAB Cc1ccc(Sc2ncccc2COC(=O)Nc2ccccc2C)cc1 3105733 OEYDJZHNQNTOCC-UHFFFAOYSA-N 364.470 5.598 0 40 FKAB CC(C)(C)c1csc(NC(=O)c2sc3ccccc3c2Cl)n1 3200697 KJWHEYZAADAUHZ-UHFFFAOYSA-N 350.896 5.561 0 40 FKAB Cc1ccc(C)c(NC(=O)CCCSc2nc3ccccc3s2)c1 3323801 JBIOTJJCFKTWPR-UHFFFAOYSA-N 356.516 5.424 0 40 FKAB Cc1ccc(C(C)C)c(Oc2ncnc3sc(-c4ccccc4)cc23)c1 3438523 IPRQSUGTMFXCEG-UHFFFAOYSA-N 360.482 6.582 0 40 FKAB CSC1(SC)[C@H](C(=O)Nc2cccc3c2[C@@H](C)CC3(C)C)C1(C)C 4107566 UWPPUOHXVZXPPS-BLLLJJGKSA-N 363.592 5.488 0 40 FKAB O=C1c2cccc3cccc(c23)C(=O)N1C(c1ccccc1)c1ccccc1 4414559 PSKGZOBRXRXUDS-UHFFFAOYSA-N 363.416 5.225 0 40 FKAB CCCC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 4699590 UEIKTCQVPXXKFE-UHFFFAOYSA-N 356.853 6.010 0 40 FKAB O=C1[C@H](C[C@@H]2CCC[C@H](C3=CCCCC3)C2=O)CCC[C@H]1C1=CCCCC1 4762711 PDNWKQHNXHCVTK-CWBXHPNXSA-N 368.561 6.348 0 40 FKAB Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2C)c(C)c1 4893291 FHGRNZBNOLIENW-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB CC(C)c1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1cccs1)=N2 6190895 ACLUATKTPZQEEE-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB CCCCNc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@H]21 6309860 QTDBDFJHXDVZBM-OXQOHEQNSA-N 356.539 5.329 0 40 FKAB CCc1cccc(C)c1NC(=O)c1sc2cc(Cl)ccc2c1Cl 6451091 UTJKYSPLWNFTOB-UHFFFAOYSA-N 364.297 6.331 0 40 FKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCC 6892284 DGCBOLVCZULQCW-UHFFFAOYSA-N 369.848 5.543 0 40 FKAB CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccccc1 7445387 VMTGHPSBKHNTQP-UHFFFAOYSA-N 352.522 5.394 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 7684195 YCCBCQZATXUFLV-UHFFFAOYSA-N 372.877 5.260 0 40 FKAB O=C(Nc1ccnn1Cc1ccccc1)c1cc2c(Cl)cccc2s1 7987172 RASKYVXGFBCMDK-UHFFFAOYSA-N 367.861 5.052 0 40 FKAB Cc1ccc(C)c(C(=O)COc2ncnc3scc(-c4ccccc4)c23)c1 8150654 BXUWNCQBBVNTDQ-UHFFFAOYSA-N 374.465 5.237 0 40 FKAB CCn1c(C)cc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)c1C 9219818 DNYYPPRKLASAMV-UHFFFAOYSA-N 359.539 5.028 0 40 FKAB CC(C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 12521827 AOXWPJGHXHPHMJ-UHFFFAOYSA-N 365.289 5.137 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 13709090 NOLZNIGZNMTFAS-CYBMUJFWSA-N 359.347 5.265 0 40 FKAB O=C(Nc1ccc2cc[nH]c2c1)c1cn(Cc2ccccc2)c2ccccc12 32088721 LRBPKAWQTNNTCX-UHFFFAOYSA-N 365.436 5.423 0 40 FKAB COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br 35038739 NBGKBIZELWAZQB-UHFFFAOYSA-N 361.066 5.377 0 40 FKAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)[nH]n2)cc1C 72427514 CDKRQKTWCZQTBU-UHFFFAOYSA-N 363.461 5.083 0 40 FKAB Cc1ccc(-c2nc(SCc3ccccc3)c(-c3ccccc3)o2)cc1 94992784 IHEUFRRNFNYJOO-UHFFFAOYSA-N 357.478 6.609 0 40 FKAB C[C@@H](NCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100744608 GUYRJBUAYYRZRL-WTIAFYNJSA-N 351.534 5.716 0 40 FKAB OC1=C2C(=Nc3ncnn3[C@@H]2/C=C/c2ccccc2)C[C@@H](c2ccccc2)C1 102626448 PBEWGUDXKHEQPV-KALAYHLKSA-N 368.440 5.008 0 40 FKAB O=C(NCc1ccc(Cl)cc1)c1cc2cc3ccccc3nc2s1 223126998 MOZOPHMLXRCDQP-UHFFFAOYSA-N 352.846 5.033 0 40 FKAB CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(C)c1 223356081 MBBFDTJVIKEZDM-LJQANCHMSA-N 357.519 5.062 0 40 FKAB CCCCOCc1cc(C(=O)NC2CCCCCCC2)ccc1OCC 224732597 QPLIXIRNMBBQKM-UHFFFAOYSA-N 361.526 5.245 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2)c1 225698745 ZSLAIJHSNVWAEG-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(-c3cccc(F)c3)cc1)OC2(C)C 257212698 CEPFIPUEUYSOAU-VLNSVQMVSA-N 354.465 5.366 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[P@](=O)(Nc1ccccc1)c1ccccc1 263621538 CPRRSKIORQJWCQ-AQHVHYGPSA-N 355.462 6.163 0 40 FKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cc2ccccc2s1 390826273 GVEFPZOVPAUWFB-QGZVFWFLSA-N 355.509 5.544 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)no1 669748 YLBIAMGGBPGJDY-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CC(=O)C[C@H]1CCc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12 1722265 PSUHDCHDMUHPFQ-AMGIVPHBSA-N 364.488 6.666 0 40 FKAB CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 1746114 UFSKSILNILVPKX-UHFFFAOYSA-N 356.516 5.498 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 2230496 GVVLJRQUKLIHKI-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1cccc(-n2ncc3c(Nc4cccc5ccccc45)ncnc32)c1 2313281 ZHOHDIVVJZTSOQ-UHFFFAOYSA-N 351.413 5.021 0 40 FKAB c1ccc([C@H]2C[C@@H](c3ccccc3)n3c4c(c5ccccc53)CCC[C@@H]42)cc1 2329084 FHODAKNLNSDHSR-MZKUHISZSA-N 363.504 6.838 0 40 FKAB Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cccc(C)n12 3911578 QRQSEQKSNBPAMN-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB Cc1ccc(Sc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)o2)cc1 4546900 LHLIRGPGQFVKFG-QGOAFFKASA-N 361.422 5.084 0 40 FKAB CC(C)(C)c1ccc(OCCOC(=O)c2ccccc2)c(C(C)(C)C)c1 4592457 AXDUDSSGSXQWKR-UHFFFAOYSA-N 354.490 5.517 0 40 FKAB COc1ccc(CC[C@H]2CCC[C@H](CCc3ccc(OC)cc3)N2C)cc1 4777735 LGWKVDLUCCAJJF-FGZHOGPDSA-N 367.533 5.122 0 40 FKAB O=C(CN(Cc1ccccc1)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 4836873 WRNGLZHHFVXOOE-UHFFFAOYSA-N 373.540 5.474 0 40 FKAB Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N(C)c3ccccc32)c1C 5337817 YBODKJQYJZOYGW-HXUWFJFHSA-N 356.469 5.350 0 40 FKAB COc1ccc(-c2cc(NC(=O)c3cc4ccccc4o3)ccc2OC)cc1 7639302 MRGYXXQDRQJPGX-UHFFFAOYSA-N 373.408 5.369 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1nc2ccccc2s1 8061959 SXZTUDZULKWRDM-UHFFFAOYSA-N 357.485 5.042 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Cl)c2Cl)c1 12403290 QDXVXKJCMHPOID-UHFFFAOYSA-N 352.261 5.443 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 13708970 KMYWOLNPILSSRZ-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB CCOCc1c(C(=O)Nc2c(C)cc(C)cc2Cl)oc2ccccc12 14668923 JLWTVQXIVYKYAB-UHFFFAOYSA-N 357.837 5.492 0 40 FKAB CCc1ccccc1NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 16707063 CXWRCQMXIKDZST-VAWYXSNFSA-N 352.434 5.164 0 40 FKAB Clc1cc(Br)ccc1-c1ccc(CNCc2ccco2)o1 20875715 FXCIMZAEDKKJFX-UHFFFAOYSA-N 366.642 5.245 0 40 FKAB CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3ccccc3)n2)s1 21908420 MUBWGNBOOAEZCQ-UHFFFAOYSA-N 356.516 5.201 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(SCc2cscn2)cc1 23042528 MVAXCZVHVRJOJS-UHFFFAOYSA-N 368.527 5.811 0 40 FKAB COc1ccc(Cl)cc1C(=O)Oc1ccc(C2SCCS2)cc1 24103894 XZEPBJQCHUKBTA-UHFFFAOYSA-N 366.891 5.046 0 40 FKAB C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(F)c(F)c1 24353798 OYVSRYMDDFWZQV-ZDUSSCGKSA-N 373.374 5.174 0 40 FKAB c1ccc(Nc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 25066843 VTYACJUGTYUOGR-UHFFFAOYSA-N 353.450 6.255 0 40 FKAB Cc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2)cc1 27795405 BXGAEVXSZMATAS-HSZRJFAPSA-N 354.453 5.338 0 40 FKAB COc1ccc([C@@H](NC(=O)/C=C(/C)c2ccccc2)c2ccccc2)cc1 67192387 WMOMDRTXZCXXML-VOVXGKMXSA-N 357.453 5.004 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 96586417 YBAPYBHPBWXZIG-MRXNPFEDSA-N 351.490 5.096 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc(Cl)c(Cl)c2)C1 100984447 KFGHSKGKPPWWMO-YVEFUNNKSA-N 357.350 5.591 0 40 FKAB CCCCc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225371988 OVURWSSBADBCJZ-UHFFFAOYSA-N 350.289 5.907 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(C)C)cc2)C(C)C)c(C)c1 225763250 ISXOFMPYFREOFS-OAQYLSRUSA-N 354.563 6.111 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC 408618792 GQEJWSNTWACPMJ-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB CC(C)(C)c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1747434 RQELVCWJMZSPSM-UHFFFAOYSA-N 357.664 6.164 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3occ(-c4cccc(OC)c4)c3cc12 2092738 DKXJVCKYMQCELD-UHFFFAOYSA-N 362.425 5.866 0 40 FKAB biogenic Cc1oc2cc(OCc3ccccc3F)ccc2c(=O)c1-c1ccccc1 2405380 IAFRHEWIUWTGPV-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB biogenic C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 2568910 YRMXCILLNZAXNX-MCLUHZGWSA-N 371.524 5.318 0 40 FKAB CCOC(=O)c1cc(-c2cc3ccccc3o2)nn1-c1ccc(C)cc1C 3264492 NKWWPUWSUIMQGN-UHFFFAOYSA-N 360.413 5.079 0 40 FKAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)cc1 3616555 XKLARGZPGFUVRT-LNVKXUELSA-N 368.933 6.608 0 40 FKAB CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 3850062 OLFAUBNLGRKABZ-BOPJXXHASA-N 360.538 5.037 0 40 FKAB biogenic O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(Cl)s1 4278877 AGDUAQJTGVPFFJ-UHFFFAOYSA-N 374.918 5.656 0 40 FKAB Clc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccccc3)C2)cc1 4315164 KINMCNBHKCUFFU-NRFANRHFSA-N 367.279 6.349 0 40 FKAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1ccc(Cl)cc1 4817425 IDMRNQJNHYZNKB-ZOXUKVPXSA-N 352.865 5.208 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2C)cc1 5343541 GTJKVJWXDGVCJB-DTQAZKPQSA-N 354.453 5.572 0 40 FKAB O=C(COc1cccc(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 6051378 RIJUQWFASZOQDK-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 6609040 RNRNEPUFBRYSTN-NSHDSACASA-N 357.759 5.073 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Cc2coc3ccc4ccccc4c23)C1 6763544 QJGUROOSGHVEBM-UUOWRZLLSA-N 361.485 5.556 0 40 FKAB COc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccccc1 6857429 WIGYNVLLOQBJEZ-UHFFFAOYSA-N 355.522 5.579 0 40 FKAB Cc1cn2c(/C=C/c3nc4c(ccc5ccccc54)s3)c(C)nc2s1 12530922 KUQXITFBXRNXNN-CSKARUKUSA-N 361.495 5.946 0 40 FKAB Cc1nc2cc(NC(=O)c3sc4cc(F)ccc4c3Cl)ccc2o1 12623801 CDGDYBGSPMGSCO-UHFFFAOYSA-N 360.797 5.396 0 40 FKAB CC(=O)c1ccc(OC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 12777554 ZOWNVXQGWCHOCR-UHFFFAOYSA-N 365.454 5.355 0 40 FKAB O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 12959518 IKZMLJRPGOEGAR-FCHUYYIVSA-N 361.872 5.443 0 40 FKAB aggregator O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2s1 14066712 WOHRHZCCMNTTJW-UHFFFAOYSA-N 371.505 5.853 0 40 FKAB Cc1nc(-c2ccccc2)nc(SCCC(C)C)c1Cc1ccccc1 16808420 DNZTXYRQAWRSNN-UHFFFAOYSA-N 362.542 6.181 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccccc3C)n2)cc1 17073081 DCTNLIICLBEOOZ-UHFFFAOYSA-N 352.481 6.191 0 40 FKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20450978 CRVMGRNWSQIMBS-KRWDZBQOSA-N 368.546 5.283 0 40 FKAB Cc1cccc(-n2nc(C)c3c2C[C@H](c2ccc(Cl)cc2)CC3=O)c1 20632875 OLGJOEDANMDRHU-INIZCTEOSA-N 350.849 5.055 0 40 FKAB Cc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)c2ccccn2)o1 21786871 INRLATJBUSXPOC-UHFFFAOYSA-N 364.376 5.024 0 40 FKAB O=C(Nc1ccccc1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22053656 UANASTJILHLWKS-UHFFFAOYSA-N 357.335 5.096 0 40 FKAB CCOC(=O)c1sc2nc(Oc3ccc(Cl)cc3)cc(C)c2c1C 25066953 QEZRSLRYSJBWRK-UHFFFAOYSA-N 361.850 5.536 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 40913300 MSBFMBLMAQHHFB-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 52537289 IRGDHDMYMZWFND-UHFFFAOYSA-N 368.569 5.486 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412637 GOKPHXWFHJFFBQ-UHFFFAOYSA-N 365.742 5.001 0 40 FKAB O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)[C@H]1CC=CCC1 58003573 NUJPCGPMXBVWDT-HJGBXLFDSA-N 350.506 5.362 0 40 FKAB CC(C)(C)c1ccc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)cc1 58307723 BCSBKLAMVRVWNF-XMMPIXPASA-N 354.437 5.452 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217598 BYCRWMUFTSEONN-QGZVFWFLSA-N 356.491 5.305 0 40 FKAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348602 MATHOWLCAFMVTE-NRFANRHFSA-N 356.469 5.077 0 40 FKAB Cc1nc(CNc2ccccc2-n2cccn2)oc1-c1ccc(Cl)cc1 84061461 BBJYRMZBKHUWQS-UHFFFAOYSA-N 364.836 5.101 0 40 FKAB OCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216848654 LSQDQNYDVKGWNW-UHFFFAOYSA-N 352.044 5.372 0 40 FKAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(C)C 223259662 AQLJLXCIFZQNKJ-MRXNPFEDSA-N 351.490 5.107 0 40 FKAB Cc1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCCC1 223996703 LISNBDYAFFOBJR-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224290270 QXXCUMOHCMRMKG-KRWDZBQOSA-N 351.490 5.403 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1C 225708163 ODCWWOGIWKZPJZ-KRWDZBQOSA-N 368.546 5.672 0 40 FKAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225822992 WOIKRKVKEULKMG-AOMKIAJQSA-N 357.494 5.551 0 40 FKAB CCN1Cc2ccccc2OC2(CCC(N(C)CC3CCCCC3)CC2)C1 257333092 YACBARBSHOTRNY-UHFFFAOYSA-N 370.581 5.094 0 40 FKAB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2)C1=O 409057276 JNJPCDNQMQNVDH-RGEXLXHISA-N 367.470 5.102 0 40 FKAB CCc1ccccc1NCc1c(OCc2ccccc2)ccc2ccccc12 409118310 OWTDMJSZVBJWAO-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB Cc1ccccc1CNc1ccccc1NC(=O)c1cccc2cccnc12 543013006 WFWSXCCVYBHCFT-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccc3ccccc23)cc1 723785 FNFNBTULDTWBIW-QHCPKHFHSA-N 353.421 5.490 0 40 FKAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 859800 LAUGVCHLHYFQSS-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB Cc1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccccc1 1447909 ZPCKTEMDRKDFHI-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB biogenic CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 1512744 VIKKDSXARSJISU-UHFFFAOYSA-N 374.278 5.202 0 40 FKAB C[C@]12C(c3ccccc3)=C(c3ccccc3)[C@H](c3ccccc31)[n+]1ccccc12 1564565 IHHJUAPMWDWYNN-NSOVKSMOSA-N 372.491 5.808 0 40 FKAB CCc1ccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 3331391 OQXSSXUQNKOVHB-UHFFFAOYSA-N 359.709 6.018 0 40 FKAB CSc1nnc(Cc2sc(-c3ccccc3)nc2-c2ccccc2)o1 4091648 OEMQLTMHMGLEAJ-UHFFFAOYSA-N 365.483 5.173 0 40 FKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 4703932 URFCIXAKDFUYOS-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc(F)c(F)cc23)cc1 4970095 MAWUEKULTUELNY-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)o1 5100018 SFCCSRVKUMNCNR-GHTZIAJQSA-N 364.832 5.484 0 40 FKAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Cl 5958855 UDCOSTBNPXRMHL-INIZCTEOSA-N 350.845 5.776 0 40 FKAB CCCCCN(CCCCC)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 6203457 SOZHRVNSGBVVPJ-DXIQSLLYSA-N 351.575 5.427 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1C 6215871 AUYLJNGQICLFQF-CSKARUKUSA-N 358.397 5.357 0 40 FKAB CCCCOc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 6309921 UHCQYPKFXUYUOP-OXJNMPFZSA-N 357.523 5.296 0 40 FKAB COc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 6368953 KEUJARIGTJDGBD-OAQYLSRUSA-N 365.860 5.775 0 40 FKAB O=C(/C=C/c1ccco1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 6480260 DBKLKPZRMUNNKE-VQHVLOKHSA-N 363.196 5.603 0 40 FKAB CCCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 6654737 VZGKZZWHLILLCU-AQTBWJFISA-N 369.511 5.593 0 40 FKAB CCOc1ccccc1NC(=O)c1ccccc1OCc1cccc(C)c1 6941746 RXOAKROTUXUEIL-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB COc1cccc(CNC2CCCCCC2)c1OCc1ccccc1Cl 8495573 JYBLIQRUFVDFBV-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB Cc1cc(Br)ccc1Nc1ccc(Br)cc1C=O 8703714 AHEUUSMGGXYZHI-UHFFFAOYSA-N 369.056 5.076 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 9064416 ZLXRKAFVOQEMSD-QGZVFWFLSA-N 352.478 5.107 0 40 FKAB CC(C)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 10333368 YEOZHFDSWOKMLY-UHFFFAOYSA-N 357.497 5.648 0 40 FKAB O=C(c1cccs1)N1CC[C@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 11859833 MBIDDUUZOZSLPT-ILZDJORESA-N 359.922 5.503 0 40 FKAB Clc1ccc2o/c(=N\c3ccccc3)c(-c3nc4ccccc4[nH]3)cc2c1 13000409 HUXNLZNIJZZWEO-GYHWCHFESA-N 371.827 5.862 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)c1 14258059 GAYLLCHBYPBNNZ-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Clc1ccc([C@H](Nc2ccc(Cl)cn2)SC2=NCCS2)cc1 22027567 ZFFOPCBSSGIERY-CQSZACIVSA-N 370.330 5.335 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 58824292 UYXUELFMZDPSPU-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CN(c1ccccc1)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214234 XANCTIXFGMASSP-QFIPXVFZSA-N 371.484 5.217 0 40 FKAB CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2cccc(O)c2)S1 79502148 LQRKTZSVXURBRO-SFHVURJKSA-N 369.877 5.177 0 40 FKAB CC(C)(C)c1ccc2cc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)[nH]c2c1 84284529 VZJKHWAIABEXRP-UHFFFAOYSA-N 374.484 5.101 0 40 FKAB C[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 85221209 GDEHAOJGPHEOSO-HNNXBMFYSA-N 371.402 5.669 0 40 FKAB in-vitro C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc2cc[nH]c2c1)C1CC1 95364787 MWDLTVLIKQFCBB-ZDUSSCGKSA-N 372.390 5.553 0 40 FKAB Cc1ccc(NC2=C[C@@H](c3ccccc3Cl)N(c3ccc(C)cc3)C2)cc1 103753753 NNRSYRWWAQXDLG-DEOSSOPVSA-N 374.915 6.514 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 216354772 DMTXSHRWWFQWKQ-FOIQADDNSA-N 351.421 5.014 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)c(C)c1 219303216 ACOKBMBLMPFDLF-TZIWHRDSSA-N 353.506 5.264 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223097543 VSUOZUHBYIWDNG-PKTZIBPZSA-N 365.517 5.299 0 40 FKAB CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc2c(c1)CCCC2 223108643 FEFQOFSACBTFPS-NRFANRHFSA-N 367.558 5.947 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225470207 FYUFCRMGOPQTGW-MRXNPFEDSA-N 354.519 5.364 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)c(C)c1 225614114 QMVYNHFBCZQGLD-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB COc1cc(C)c(C(=O)Nc2cc(Cl)ccc2Cl)cc1C(C)C 225656310 JSXCNWVAIFJSKT-UHFFFAOYSA-N 352.261 5.686 0 40 FKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)cc2)c1 408572250 FVTRVIRQVHEXNT-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB CCCC(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 408619906 DAXJOHKPUOPEMY-UHFFFAOYSA-N 366.848 5.484 0 40 FKAB Cc1nc2cccc(C(=O)Nc3ccccc3NCc3ccccc3C)c2[nH]1 555084206 NWBHETDPYVTYRQ-UHFFFAOYSA-N 370.456 5.044 0 40 FKAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1cnccc1Oc1ccccc1 667691388 ZMJCBKSZQYCWNE-MJGOQNOKSA-N 358.388 5.028 0 40 FKAB COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1 844118 CXGMKIXPRAIOPJ-UHFFFAOYSA-N 362.379 5.698 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 943149 LEQDJUIUKQKOQC-UHFFFAOYSA-N 366.258 5.677 0 40 FKAB Cc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1040892 NHJMFSKWXNKRRC-UHFFFAOYSA-N 359.800 5.398 0 40 FKAB O=C(Oc1cccc2ccccc12)c1ccccc1C(=O)c1ccccc1 1646456 KETXTACUVUIUHI-UHFFFAOYSA-N 352.389 5.290 0 40 FKAB CC(C)(C)c1ccc(SCC(=O)c2ccc(Br)cc2)cc1 4740845 GMSJORDFHLLWTQ-UHFFFAOYSA-N 363.320 5.722 0 40 FKAB CCN1c2ccccc2C(OC)(c2ccc(N(C)C)cc2)c2ccccc21 4824926 NPBZIEDQTVXBCX-UHFFFAOYSA-N 358.485 5.162 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccccc1Cl 5219199 IHWAYHZZOHDNDZ-VAWYXSNFSA-N 364.857 5.271 0 40 FKAB COc1cc2oc(-c3ccc(O)cc3O)cc2c(OC)c1CC=C(C)C 5854532 DKVBYQAVNNRVNN-UHFFFAOYSA-N 354.402 5.037 0 40 FKAB endogenous,in-man C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Cl 5958857 UDCOSTBNPXRMHL-MRXNPFEDSA-N 350.845 5.776 0 40 FKAB Cc1ccnc(N[C@@H](c2ccc3c(c2)OCO3)c2c(C)[nH]c3ccccc23)c1 6796989 LPAYQRCLAPQUNT-QHCPKHFHSA-N 371.440 5.110 0 40 FKAB Clc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1 6829529 SHJPWEKZZARIQF-RVDMUPIBSA-N 371.867 6.638 0 40 FKAB C[C@H](NC(=S)NCc1cccs1)c1ccc(-c2ccccc2)cc1 7982975 BSTWVOMIBYMHGR-HNNXBMFYSA-N 352.528 5.140 0 40 FKAB Cc1ccccc1-c1nnc(SCCSc2ccc(Cl)cc2)o1 7990242 QADPMMHQGRXVJV-UHFFFAOYSA-N 362.907 5.583 0 40 FKAB CCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 8084976 FVQIBTOBSWGYRM-BUVRLJJBSA-N 359.425 5.277 0 40 FKAB CCCCN(CCCC)C(=O)c1cc(-c2ccccn2)nc2ccccc12 16740428 YJNICGSQSOBTFE-UHFFFAOYSA-N 361.489 5.339 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@H]1c1ccccc1 22552117 ZVPOYVLMLUMDNB-FQEVSTJZSA-N 350.849 5.174 0 40 FKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1 38834149 BEJFQJRKQIFHNK-UHFFFAOYSA-N 358.485 5.324 0 40 FKAB C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1cc(-c2ccco2)on1 40067112 NJGWQQFKDWYFAZ-LLVKDONJSA-N 351.233 5.434 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3[nH]c4ccccc4c3Cl)c2)cs1 40145088 AGNSFXNOUAYZFQ-UHFFFAOYSA-N 367.861 5.506 0 40 FKAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1Oc1cccnc1 58417307 CYUDYSHLXFYHSM-WOJBJXKFSA-N 362.404 5.064 0 40 FKAB Clc1cc(Cl)cc(Nc2nc(-c3ccccc3Cl)cs2)c1 67321772 VRKSBUFEDSIKHE-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB Brc1ccc(Cc2nc3cc(-c4ccccc4)ccc3o2)cc1 73638787 DTTUUWCXZBBJAE-UHFFFAOYSA-N 364.242 5.848 0 40 FKAB C[C@H](c1ccncc1)N(C)C(=O)/C=C/c1sc2ccccc2c1Cl 84667360 ZZYSUJFHIFKISA-SBDDDAINSA-N 356.878 5.183 0 40 FKAB C[C@H](OC(=O)c1cc(N)ccc1Cl)c1ccc2c3c(cccc13)CC2 216850900 UWPPNZUSBZIKAC-LBPRGKRZSA-N 351.833 5.092 0 40 FKAB CC(C)c1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219460798 IADWIQOEQLDYKN-UHFFFAOYSA-N 372.468 5.342 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2)cc1CSc1ccc(C)cc1 224334804 JUKOMCSULDOVSP-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB Cc1cccc(CSCCNC(=S)Nc2ccc(F)c(Cl)c2)c1 225337662 UPWDTLFRLXBSBL-UHFFFAOYSA-N 368.930 5.007 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)c(C)c1 225355447 SZFWZIRWMDVJLY-CQSZACIVSA-N 350.289 5.420 0 40 FKAB C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(F)cc1 225474335 RDFIMEZHRAHLFD-CQSZACIVSA-N 358.482 5.195 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)/C(=C/c1ccccc1)c1ccccc1 408580880 RTMNESGKMXWYRK-SAPNQHFASA-N 368.263 6.173 0 40 FKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1 408826990 JZLPDJNXXRLKCT-UHFFFAOYSA-N 363.844 5.609 0 40 FKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409208341 FHBARAWRNHSVQK-LICLKQGHSA-N 368.845 5.371 0 40 FKAB Cc1cc(=NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)cc[nH]1 1776004914 RHYFILYACZGJRL-UHFFFAOYSA-N 360.791 5.148 0 40 FKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 1023593 KXKWGUOBESJNJC-WXPCENJTSA-N 367.492 5.949 0 40 FKAB Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2Cl)cc1 1400179 XAMYILVKUGHBQY-UHFFFAOYSA-N 370.239 5.034 0 40 FKAB Cc1cccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c1 1437019 FNSTUJFCNMQLFF-HETPVDKPSA-N 353.465 5.477 0 40 FKAB c1ccc2sc(SCN(C3CCCCC3)C3CCCCC3)nc2c1 1666225 WSADMJNRWCWRJT-UHFFFAOYSA-N 360.592 6.313 0 40 FKAB in-vitro CCN(c1ccc(Br)cc1)c1ccc(Br)cc1 1686634 FHIKFPXFLDHXGZ-UHFFFAOYSA-N 355.073 5.370 0 40 FKAB CCCOC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1876351 ONAHIGSBSGVJAO-UHFFFAOYSA-N 352.540 5.174 0 40 FKAB CCCc1cc(NCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 2205239 FQTCHNCYDNUVBM-UHFFFAOYSA-N 356.473 5.269 0 40 FKAB CC(C)Oc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2327259 HVPLMXBOIAYWSJ-UHFFFAOYSA-N 361.470 5.182 0 40 FKAB Cc1cc2c(O)c(-c3ccc(C(C)C)cc3)c3sc(=O)oc3c2cc1C 2403986 RAFAKQDYNKRLSJ-UHFFFAOYSA-N 364.466 6.121 0 40 FKAB COc1ccc([C@@H](CCN[C@H](C)c2cccs2)c2ccc(F)cc2)cc1 2447698 DHVFCGXMEZIXNM-IERDGZPVSA-N 369.505 5.769 0 40 FKAB CC(C)CC[C@H](CCNCc1ccccc1)c1ccc(OC(C)C)cc1 2453362 OTKKPECJIQHSHR-HSZRJFAPSA-N 353.550 6.174 0 40 FKAB CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 2715228 WROAFLSTZVACCL-UHFFFAOYSA-N 372.472 5.308 0 40 FKAB FC(F)(F)c1cccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1 3893372 JCXCAEYEWBFNTP-MRXNPFEDSA-N 365.424 5.024 0 40 FKAB biogenic CC(C)COc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 4713242 LTMUSLBZRBEFGZ-HYARGMPZSA-N 371.436 5.219 0 40 FKAB Nc1nc(C(c2ccccc2)c2ccccc2)nc2sc3c(c12)CCCC3 4794704 JTZIQPKPWWKCAH-UHFFFAOYSA-N 371.509 5.333 0 40 FKAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 5461568 MHVFYFSNWRTKAU-UNMCSNQZSA-N 373.887 6.144 0 40 FKAB N=C1CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@@H](c3ccccc3)N12 5811836 ZFMXFZRSVPPFHE-PJCYSGFTSA-N 371.509 5.645 0 40 FKAB O=C(Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1)c1ccco1 5949356 WKRRMRBAPHKRPY-UHFFFAOYSA-N 353.381 5.228 0 40 FKAB CCCCc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1 6264746 YGGZZZZYVUTIAX-UHFFFAOYSA-N 350.487 5.334 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 7073102 XMEJDTUKMJBYKE-MRXNPFEDSA-N 373.452 6.117 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 9355705 HZJQZHVRJFKKOY-OAQYLSRUSA-N 371.415 5.176 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 14427179 JDQCEJHSWOHGJT-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB O=C(CSCc1cccc(Cl)c1)NCc1ccc(Cl)cc1Cl 20238064 AOPJBTXXLPZSPE-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CSC2=Nc3ccccc3CS2)cc1 21627700 SCVAUPGPYBFZFP-AWEZNQCLSA-N 370.543 5.094 0 40 FKAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 22411273 OSKWDBODAKBVPB-UHFFFAOYSA-N 363.461 5.048 0 40 FKAB c1ccc2sc(CN3CCC(c4nc5ccccc5s4)CC3)nc2c1 23935381 ZMLFHGNWIPDOBX-UHFFFAOYSA-N 365.527 5.286 0 40 FKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1C(C)(C)C 24354762 QRGCREZAOIPBNM-UHFFFAOYSA-N 354.475 5.190 0 40 FKAB CC[C@H](C)NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 28427626 ZWPHIZSVAVKZLG-AWEZNQCLSA-N 352.305 5.769 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 40478332 NTDWAFUNPSNSPP-UHFFFAOYSA-N 373.387 5.260 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cc(F)ccc1F 51354404 OXNLWURTRBBPDH-UHFFFAOYSA-N 354.356 5.188 0 40 FKAB COc1cc(CNc2ccccc2)ccc1OCc1ccc(Cl)cc1 59472356 OBOQSTNYGXXLED-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCC)cc1 67259694 URNBNCOTJSQJQQ-UHFFFAOYSA-N 350.487 5.132 0 40 FKAB O=C(CC1CCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380339 PVOUAYAXWUAJCX-QGZVFWFLSA-N 371.912 5.016 0 40 FKAB CC1(C)c2ccccc2-c2cc(Nc3ccc(-c4ccccc4)cc3)ccc21 95829999 NJXDAKUYTRAHCM-UHFFFAOYSA-N 361.488 7.404 0 40 FKAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)cc1 100917978 JWNZKHBGYMZUBL-QURGRASLSA-N 362.454 5.099 0 40 FKAB CC(=O)Nc1nc(C23C[C@@H]4C[C@H](CC(c5ccc(C)cc5)(C4)C2)C3)cs1 100928395 KGWXDKSOHBCQQJ-WZGNDQMWSA-N 366.530 5.200 0 40 FKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(C)cc2)cc1 106974866 DHTCPLDJEUMPMS-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)c1ccccc1 118914813 GUFISKMWHBUYOH-DMOOCHNQSA-N 352.562 6.307 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2)c(C)c1 223366530 PZVMUNYNPDISAJ-OAQYLSRUSA-N 367.851 5.615 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223959510 NDNJUPJILPDHQH-WOJBJXKFSA-N 369.505 5.045 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1C 224120580 GRMOHYVSXKCCQN-GHTZIAJQSA-N 353.506 5.462 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)NCCCc1ccccc1Cl 225358962 IOKZXHPBUKFMPY-UHFFFAOYSA-N 370.707 5.328 0 40 FKAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225694279 NTQAVNHFBLIPGF-QFIPXVFZSA-N 355.478 5.108 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C)c(C)c2)c2ccccc2)c1 225697723 SEWQDZPGOQBGDS-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB COc1ccc(SCCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225802324 ZCQWSQQKVJQPRC-UHFFFAOYSA-N 374.575 5.287 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc12 408587115 QHQFJSNUJDBGMM-UHFFFAOYSA-N 353.849 5.924 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 408681844 ZSXTXURBCDQXEY-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB Cc1cncc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 536342532 WPVQHZJGMFTASU-UHFFFAOYSA-N 370.374 5.006 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H]3C[C@H]3c3cccc(F)c3)sc2c1 1775977876 YMGPTSDPJIBOHN-BBRMVZONSA-N 373.880 5.536 0 40 FKAB COc1ccc(-c2nc(C)c(-c3csc(-c4ccccc4)n3)s2)cc1 633717 IRBGTLMEDNCKTH-UHFFFAOYSA-N 364.495 5.918 0 40 FKAB Cc1nc2c(Cl)cc(Cl)cc2c2c1CCN2c1ccc(Cl)cc1 707772 RLKKKKUCRYEUSF-UHFFFAOYSA-N 363.675 6.198 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(OC)c1 948604 QNWYDISFCHJSBQ-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c(C)c1 1265023 VPMTUNVPBRPSNB-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB Clc1ccc(Cl)c(Nc2ncnc3sc4c(c23)CCCC4)c1 2302648 QHIDYBOMYGMSSO-UHFFFAOYSA-N 350.274 5.621 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3nc(SCCC(C)C)sc3c2)c1 2438446 XHRVYKDODIMTAB-UHFFFAOYSA-N 370.543 5.995 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(F)cc2)N3)C1 4553422 YGYFJTRIWUSPDH-ACJLOTCBSA-N 372.509 5.857 0 40 FKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 4610381 WYLOTAVVMPOAMI-UHFFFAOYSA-N 370.427 5.856 0 40 FKAB CCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@H]2c3ccc(OC)cc3CC[C@@H]21 4825765 WVDKBHOKKLQPOC-QORCZRPOSA-N 362.513 5.880 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(Cl)cc23)cc1 4970088 STKDUPWFPSYWSG-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1 5947344 XNRMPDQDWATQBQ-DHZHZOJOSA-N 358.224 5.905 0 40 FKAB CCCC(=O)c1cn(CCOc2ccc(Cl)c(C)c2)c2ccccc12 6203111 UCNRGRHBAANACJ-UHFFFAOYSA-N 355.865 5.665 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 6440282 QQBSNCBOZSGWPX-CQSZACIVSA-N 353.849 6.366 0 40 FKAB CC[C@H](C)c1ccc([C@@H](CC)NC(=O)/C=C/c2ccccc2OC)cc1 6489604 JAEKZFZDVOSJNR-OLRRJOLSSA-N 351.490 5.489 0 40 FKAB CC[C@H]1CCc2c(sc3ncn4nc([C@@H]5C[C@@H]5c5ccccc5)nc4c23)C1 6489714 HROCJKXDDUZIEW-IAOVAPTHSA-N 374.513 5.125 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1 7278074 RPYVXTHSKYKRQY-UHFFFAOYSA-N 359.516 5.206 0 40 FKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1sc2ccccc2c1Cl 7652791 GTKIRUHKAFHTCB-UHFFFAOYSA-N 369.829 5.076 0 40 FKAB COc1cccc2c1N(C(=O)C(C)C)C(C)(C)c1ssc(=S)c1-2 9926592 YAFVCHXGBMCFBG-UHFFFAOYSA-N 365.545 5.452 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(C1=NCCC1)c1ccc(F)cc1 10165997 SIEPLSMUXVLZQX-UHFFFAOYSA-N 366.223 5.363 0 40 FKAB CC(=O)N(c1ccccc1)c1nc(COc2cccc(Cl)c2)cs1 10562637 BIAMGFMGMQSXJJ-UHFFFAOYSA-N 358.850 5.060 0 40 FKAB C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccccc1F 12848703 ICELTSHTKHOXGL-LIRRHRJNSA-N 354.450 5.037 0 40 FKAB CCCCCc1c(C)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c1=O 18266665 KNBKNCFCAVXCQL-UHFFFAOYSA-N 363.461 5.347 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccc(C)cc1 20105102 DTRSFYDGWCQNLS-RBUKOAKNSA-N 361.938 5.787 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1 20492950 NEECEUJQQHCPMD-DNVCBOLYSA-N 361.938 5.348 0 40 FKAB CC(=O)Nc1cccc([C@H](C)NCc2ccc(-c3ccc(F)cc3)s2)c1 28925018 REXMAPMKBJMTNR-AWEZNQCLSA-N 368.477 5.363 0 40 FKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OC 33741254 CPQOVRCGNZGMFQ-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB Clc1ccc(C2=N[C@@H](C3CCCCC3)N3[C@H]2[C@H]3c2ccccc2)cc1 34895829 YWYLMPYWIUGPLF-AEGADVIYSA-N 350.893 5.475 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1 41157616 ISBKLMCCFMBHLK-QGZVFWFLSA-N 362.473 5.381 0 40 FKAB COc1cc(Br)c2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 45920238 SEGHTVNOCQLFQP-UHFFFAOYSA-N 360.251 5.563 0 40 FKAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1C 48441760 OFRYIXYNMXWHIU-UHFFFAOYSA-N 358.441 5.263 0 40 FKAB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1cccc2ccccc12 49544219 VTHZPFSJUIIRPC-SFHVURJKSA-N 351.475 5.216 0 40 FKAB Cc1cccc(C)c1Nc1nc(-c2ccccc2)c2ccc(Cl)cc2n1 75106544 VERNHATXSONWNR-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB Cc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1Br 95916040 WBFYIFXKCJELDO-UHFFFAOYSA-N 351.243 5.656 0 40 FKAB O=C(NC1CC1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 96939907 MGEYFVPCXGHODK-YPKPFQOOSA-N 360.482 5.065 0 40 FKAB Cc1ccc(COc2cccc(CNc3ccc(Cl)c(Cl)c3)c2)cc1 106974445 DJPVNMUTVNUNRV-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(-c3ccccn3)c2C)c1 119337413 RYXSNWTWWIQWPF-UHFFFAOYSA-N 364.832 5.165 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCS[C@H](c2ccccc2Cl)CC1 208046821 MDGQCPRPEOQXQT-IBGZPJMESA-N 371.889 5.407 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219603244 MWVFATPEYAVACY-MGPUTAFESA-N 373.924 5.672 0 40 FKAB COc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)cc1C 222653297 HQAXZXFDARLMKM-UHFFFAOYSA-N 363.482 5.336 0 40 FKAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C 223775059 WBUHXEYHYZNAAE-RUZDIDTESA-N 373.496 5.150 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2ccccc2Cl)cc1 225586611 ZETGQIWBHFJQBG-UHFFFAOYSA-N 350.940 5.117 0 40 FKAB CCO[C@@]1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225718340 VOUFRAKWUHMVCS-QRFQSNJMSA-N 361.526 5.405 0 40 FKAB CCN(CC)c1ccc(-c2nc3cc(C)ccc3o2)cc1Br 226332111 PGVXAFYUAGQXBC-UHFFFAOYSA-N 359.267 5.412 0 40 FKAB CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(C)cc1 408561956 MANRPXUDWIWZAC-FCQUAONHSA-N 364.514 5.157 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)oc12 408570969 ZXSJCEUVDRTBKY-UHFFFAOYSA-N 358.397 5.437 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1ccc(Sc2ccccc2)o1 409106661 OPWYUBYBPCMNOA-ATVHPVEESA-N 351.452 5.516 0 40 FKAB CCc1c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)oc2cc(C)c(C)cc12 526052238 IAEJSIKFJIVFIE-UHFFFAOYSA-N 359.429 5.254 0 40 FKAB O=C(CCc1ccccc1)c1ccc(COc2cc(F)ccc2F)cc1 575358033 CZQOETLEPVQCKJ-UHFFFAOYSA-N 352.380 5.359 0 40 FKAB O=C(c1cccc(F)c1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442792 ALFXILLVNJLIDZ-UHFFFAOYSA-N 372.403 5.198 0 40 FKAB Cc1cc(C)c(NC(=O)CC2c3ccccc3Oc3ccccc32)c(C)n1 1425357 QEWVTOIEQLVEPI-UHFFFAOYSA-N 358.441 5.273 0 40 FKAB Cc1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1 1447953 WSBYQZXOBNESOP-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB biogenic c1ccc(-c2cc3ccccc3c(-c3ccccn3)c2-c2ccccc2)cc1 1564559 XSSPNGDBEXMGBO-UHFFFAOYSA-N 357.456 7.236 0 40 FKAB Cc1cc(C)c2c(n1)nn1c(Nc3cc(Cl)cc(Cl)c3)cc(C)nc21 2339826 GEQDWXMQMCRTJD-UHFFFAOYSA-N 372.259 5.253 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3cc(F)c(F)c(F)c3F)c(C)c2)cc1 3353801 LRVBFCWIVFIFML-UHFFFAOYSA-N 374.333 5.746 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(Oc4cccc5c4OC(C)(C)C5)c23)C1 3458713 AEQMZTHCICAIIA-LBPRGKRZSA-N 366.486 5.322 0 40 FKAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)o1 4248219 NXQMCDKMHWMAFT-LLVKDONJSA-N 362.863 5.048 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)c1 4663695 BAIPQPIUEVEOFP-UHFFFAOYSA-N 358.850 5.143 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H]5[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 4744027 JTSBNWGLFUOUIT-AOIDOXAVSA-N 364.476 5.372 0 40 FKAB CCCC[C@](O)(c1ccccc1)[C@@H]1CN(C(C)(C)C)[C@@H]1c1ccccc1 5045990 JGHGHADLIVEPGD-AKFKNWHVSA-N 351.534 5.536 0 40 FKAB CC(C)(C)CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 5726604 QCJZPTJPZJLLEU-UHFFFAOYSA-N 362.517 6.082 0 40 FKAB O=C(CCC1CCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5772900 UBXXPGKLZOJCFS-UHFFFAOYSA-N 369.892 5.870 0 40 FKAB Cc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 5864283 TWTQJJHKNZVFED-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB Cc1ccc(CN(CCCOC(C)C)C(=O)Nc2cccc(Cl)c2)o1 6667725 SNJJNNMOHHFUPT-UHFFFAOYSA-N 364.873 5.091 0 40 FKAB Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1C 6966699 XLCRFFKMXCHEMD-UHFFFAOYSA-N 361.363 5.082 0 40 FKAB COc1ccc(CNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 7539358 RNVCPCUQLKEZDZ-UHFFFAOYSA-N 362.256 5.552 0 40 FKAB C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C(C)(C)C)cc1 8265316 CSWGJOWTLXRPDU-GFCCVEGCSA-N 364.917 5.824 0 40 FKAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@H]1c1ccncc1 12557784 ODGKTTZNQWDASH-KRWDZBQOSA-N 368.889 5.441 0 40 FKAB FC(F)(F)c1cnc(N[C@H](c2ccccc2)c2ccccn2)c(Cl)c1 12557901 IDWRKHVTPSIWCO-MRXNPFEDSA-N 363.770 5.350 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)c1ccccc1 13398726 GUFISKMWHBUYOH-PQQMCHICSA-N 352.562 6.307 0 40 FKAB biogenic O=C(Nc1cc(-c2ccccc2Cl)nn1-c1ccccc1)c1ccccc1 13704369 OMWDAJQIBZZXPV-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757741 BFQCWATUPUKVDH-UHFFFAOYSA-N 365.889 5.853 0 40 FKAB CCc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 19842392 QATIZVULOCDWKW-UHFFFAOYSA-N 362.561 5.093 0 40 FKAB Cc1ccccc1NC(=O)Nc1ccccc1C(=O)Nc1ccccc1C 20246642 KYNYCEXEHXKVBA-UHFFFAOYSA-N 359.429 5.200 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 20453645 VMBAYMCLWUABRM-LEWJYISDSA-N 353.506 5.364 0 40 FKAB O=C(Nc1ccc(Cl)cn1)c1cccc(OCc2ccccc2Cl)c1 22258194 HMAGRIRXOVXKLR-UHFFFAOYSA-N 373.239 5.220 0 40 FKAB Cc1nc(-c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)co1 32776588 HKCWSTXLBDGPSL-UHFFFAOYSA-N 365.191 5.348 0 40 FKAB O=C(c1cc(Nc2cccc(Cl)c2)c2ccccc2n1)N1CCCCC1 44169565 KUVYTTCQFFQUDJ-UHFFFAOYSA-N 365.864 5.258 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1 46086484 BGHKSRZYGXJDRE-UHFFFAOYSA-N 371.864 6.134 0 40 FKAB Clc1cc(C23CC4CC(CC(C4)C2)C3)cc(Cl)c1Br 55107277 JMLWCTXPELDJQC-UHFFFAOYSA-N 360.122 6.224 0 40 FKAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(Br)c1 58367672 IJOINHYTFBZMQC-AWEZNQCLSA-N 373.294 5.282 0 40 FKAB CCN(CC)c1ccc(NC(=S)Nc2cccc(C(C)C)c2)c(C)c1 71326238 UTZSFZVZTFLNNT-UHFFFAOYSA-N 355.551 5.774 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@H]2O 118932259 OEECLXWCHUIMAU-QTWFKZBCSA-N 374.565 5.222 0 40 FKAB biogenic CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 222896188 MKHQWAWQYNFBSY-YADHBBJMSA-N 353.506 5.310 0 40 FKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(Cl)cc2)c1 225564242 GECBWEPCZOTTBQ-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225705309 WRUMBBJZQBYGMM-JOCHJYFZSA-N 363.542 5.652 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c2cccnc12 225888791 QXHGUCROQFLQKR-UHFFFAOYSA-N 370.493 5.092 0 40 FKAB COCOCCCCCCCCCCCCCCCCCCOCOC 261491079 YPCURPJYCUXOOP-UHFFFAOYSA-N 374.606 6.469 0 40 FKAB Cc1cc(C)n(C(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)n1 646998 YENVFVMNGKKKLA-UHFFFAOYSA-N 369.468 5.527 0 40 FKAB Cc1cc(C)c(NC(=O)CSc2ccnc3cc(Cl)ccc23)c(C)c1 1422670 ORXVTACLEDQXNR-UHFFFAOYSA-N 370.905 5.544 0 40 FKAB CCO[C@H](c1ccc(OC)cc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1572797 AUJGOUPFFHBOFK-JOCHJYFZSA-N 370.533 6.122 0 40 FKAB Cc1cc[n+](-c2c3c(nc4ccccc24)-c2ccccc2C(C)(C)C3)cc1 1744717 ZBNDUDHUBIZVCM-UHFFFAOYSA-N 351.473 5.321 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 1837790 MGLFRSABXSINBU-UHFFFAOYSA-N 363.844 5.440 0 40 FKAB Cc1c(-c2ccccc2)n(N(C)c2ccccc2)c2nc3ccccc3nc12 2077874 DAJPYTBZKHTXJC-UHFFFAOYSA-N 364.452 5.459 0 40 FKAB COc1ccc(CNCC[C@H](CCC(C)C)c2ccc3c(c2)OCO3)cc1 2129754 YFTWMEXXHMQNTA-IBGZPJMESA-N 369.505 5.124 0 40 FKAB biogenic CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c2ccccc2n1 2420129 YAELTUUCGJMCSE-UHFFFAOYSA-N 371.465 5.271 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(F)c(F)cc1Cl 3339950 JYBIQAMSJOTYIC-UHFFFAOYSA-N 351.563 5.282 0 40 FKAB O=C(c1ccccc1F)c1cn(CCCOc2ccccc2)c2ccccc12 4711407 DJJKXMGPIDWLHV-UHFFFAOYSA-N 373.427 5.481 0 40 FKAB CC1(CNC(=O)c2cc(Cl)ccc2Cl)C2CC3CC(C2)CC1C3 5043978 WBBXVYMFSXKITN-UHFFFAOYSA-N 352.305 5.186 0 40 FKAB O=C(NCC1CCCCC1)c1cccnc1Sc1ccccc1Cl 5937811 PSCAMNXMCSNGOA-UHFFFAOYSA-N 360.910 5.196 0 40 FKAB CCN(C(=O)c1cc(SC)ccc1Cl)C12CC3CC(CC(C3)C1)C2 5937894 SVPKZLMOKLVPFX-UHFFFAOYSA-N 363.954 5.493 0 40 FKAB Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)oc2c(F)cccc12 8193061 KAQWJBLQGLTHRD-UHFFFAOYSA-N 367.376 5.174 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1Cl 13709032 GQXHCAYEVGWFQG-CYBMUJFWSA-N 374.267 5.230 0 40 FKAB Cc1ccc(C(=O)[C@H](Sc2nncn2C(C)C)c2ccc(C)cc2)cc1 14157541 IVZZKFHGRFKMAW-HXUWFJFHSA-N 365.502 5.192 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 14258044 WPELJMVLCCGRJV-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2ccccc2)o1 15587654 QMSYQDQGPVADAS-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB Fc1ccc(COc2ccc(Cl)cc2CNCc2cccs2)cc1 16430632 NUOCNHZBHJJXCU-UHFFFAOYSA-N 361.869 5.409 0 40 FKAB Clc1ccccc1COc1cccc(CNCCc2ccccc2)c1 16479381 UIDKPECCIGZURX-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(C)c1 16740468 IKBNGRGMYQRVNJ-UHFFFAOYSA-N 367.452 5.272 0 40 FKAB N=C(c1ccccc1)c1ccccc1C(O)(c1ccccc1)c1ccccc1 17301331 GZJWZFDJAKHOOK-UHFFFAOYSA-N 363.460 5.387 0 40 FKAB CCOc1ccc(CCC(=O)Nc2ccc3ccccc3c2)cc1OCC 22523076 ATQIFNCEBFTMAY-UHFFFAOYSA-N 363.457 5.209 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1cc2cc(Br)ccc2o1 28250114 DFGWZOIXHDLKEA-UHFFFAOYSA-N 372.262 5.572 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1Cl)[C@@H]1Cc2ccccc2O1 30061204 GZBAUOAVZITPHL-FQEVSTJZSA-N 365.816 5.075 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2cccnc2Oc2ccccc2)c1 40087988 AKYZTPDTDPCHPM-UHFFFAOYSA-N 370.861 5.502 0 40 FKAB Cc1ccc2nsnc2c1NC(=O)c1cccc2c(Cl)cccc12 57313505 BMUUDLDORJHPKZ-UHFFFAOYSA-N 353.834 5.059 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2cc(Cl)cc3cccnc23)cc1Cl 59744908 LGLLSRXQFVYWPJ-UHFFFAOYSA-N 366.635 5.030 0 40 FKAB COc1ccc(Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 69383104 FBBYPYZJGFOKGC-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 107041342 XBPKWQIMTZQIAS-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB Brc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cn1 199826290 JOUFHFASUMIPSW-UHFFFAOYSA-N 367.290 5.047 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(OC(C)C)c1 222923994 YSSPVSDJJQOTMN-OAQYLSRUSA-N 369.505 5.567 0 40 FKAB FC(F)(F)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 225460225 BDZUVHUYIKGXMH-MRXNPFEDSA-N 350.409 5.069 0 40 FKAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C(F)(F)F 225831199 OSDBLCKBQWWOHA-UGSOOPFHSA-N 373.415 5.028 0 40 FKAB COc1ccc(Cl)cc1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408994343 YQEZPYCMIHIKTD-UHFFFAOYSA-N 374.893 5.385 0 40 FKAB Brc1ccc2[nH]cc([C@H](c3ccccc3)N3CCCC3)c2c1 1775971513 RGKWHLDDUPRDSR-IBGZPJMESA-N 355.279 5.116 0 40 FKAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)CCC1CCCC1 1330038 PMSPEKMIMGOWSQ-UHFFFAOYSA-N 356.491 5.218 0 40 FKAB CSc1nc(SCc2ccccc2)c2c3c(sc2n1)CCCC3 2240320 NBGMIVHQOLFHAM-UHFFFAOYSA-N 358.557 5.584 0 40 FKAB Cc1ccc(C2=CC(Cl)=C(c3cccs3)Oc3ccccc32)cc1 2294565 LRNKYFPRNDHQDH-UHFFFAOYSA-N 350.870 6.488 0 40 FKAB biogenic OC1=N[C@H](c2c(Cl)[nH]c3ccccc23)Nc2sc3c(c21)CCCC3 2492846 RZPBKRHDOJRQPO-INIZCTEOSA-N 357.866 5.191 0 40 FKAB O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)N1CCCC1 3125748 UBTXBTAVWLQQMG-UHFFFAOYSA-N 357.925 5.046 0 40 FKAB c1ccc(C(Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)cc1 3318687 CLYMRGHECJCQAM-UHFFFAOYSA-N 374.534 6.062 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 4539999 BHYWYIWEYPDZIN-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB CC(C)[C@]12CC[C@@]3(CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]3C1)[C@H](CN)C2 4802662 CFSIKOAGZWBLPX-MIOLOHRCSA-N 361.570 5.085 0 40 FKAB in-vitro Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc(Cl)c1 4906973 WCIYXIMDOLOBIX-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB CC[C@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 5476455 XPBCDFDNYPRIDQ-INIZCTEOSA-N 356.878 5.596 0 40 FKAB CC(C)(C)c1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1 5904342 OMECUXFFZUZXJL-ZHACJKMWSA-N 368.527 5.821 0 40 FKAB Fc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1Cl 6189080 FBMGJJLLEDZNRW-UHFFFAOYSA-N 374.655 5.322 0 40 FKAB C[C@H]1CCCC[C@@H]1NC(=S)N(C)C(c1ccccc1)c1ccccc1 7637415 HUWABKCWWUAPQK-PXNSSMCTSA-N 352.547 5.161 0 40 FKAB Cc1ccc(C)c(-c2nc(CC(=O)Nc3ccccc3C)sc2C)c1 7844918 WBAVVWALFPQGRC-UHFFFAOYSA-N 350.487 5.225 0 40 FKAB CCc1cccc(C)c1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 8060494 UCBRBPVGNUCMSI-UHFFFAOYSA-N 370.905 5.895 0 40 FKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCC(C)C)ncnc32)cc1 8412678 LUXFJJQWFAVETC-UHFFFAOYSA-N 370.500 5.854 0 40 FKAB Cc1ccc(C)n1N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 8475558 FQJRVGLZDDRSLM-UHFFFAOYSA-N 373.283 5.390 0 40 FKAB C/C=C\CSc1cc(NC(=S)c2ccsc2C)ccc1Cl 8665640 NLFLVHAFOCGXJG-ARJAWSKDSA-N 353.965 6.166 0 40 FKAB Cc1cc(-c2csc(-c3cccnc3)n2)c(C)n1CCc1cccs1 8755429 PUFZQFRTOMTGFQ-UHFFFAOYSA-N 365.527 5.595 0 40 FKAB CCc1ccc(/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 12413236 RFPDCAMJICWKPJ-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB Cc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 17311314 RNJTWGNLOSEBNV-UHFFFAOYSA-N 373.525 5.258 0 40 FKAB O=C(CSc1nc2ccccc2n1C1CCCCC1)Nc1ccccc1 20436714 RMUHTRJRQTUHKU-UHFFFAOYSA-N 365.502 5.272 0 40 FKAB O=C(CCc1cccs1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24877794 CBAMQKRWLDHVFN-JOCHJYFZSA-N 361.466 5.333 0 40 FKAB S=c1[nH]cc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 26423121 ICODQVLYYGIAJV-UHFFFAOYSA-N 365.683 5.618 0 40 FKAB Cc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 27584888 NTJFAKYLFGKRCZ-UHFFFAOYSA-N 356.473 5.880 0 40 FKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccccc1)CC(O)=N2 32102188 VFPQEQMCPCNZLC-MRXNPFEDSA-N 362.454 5.432 0 40 FKAB CCOCc1ccccc1CNC(=O)c1sccc1-c1ccc(C)cc1 32809506 ZKCSVOVYUNEXHM-UHFFFAOYSA-N 365.498 5.190 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1C 38755833 SODCZNIWPMZPLD-LJQANCHMSA-N 353.849 5.598 0 40 FKAB CCOC(=O)CCCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214402 OTAFIWSCQVQRSD-UHFFFAOYSA-N 351.657 5.343 0 40 FKAB CC(C)CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214861 QULLXQWXIGPPBI-GOSISDBHSA-N 361.530 5.024 0 40 FKAB c1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccc4ncccc4c3)C2)cc1 72380358 LPDNLOYBIBDEJW-NRFANRHFSA-N 368.484 5.005 0 40 FKAB CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)Sc2ccccn2)c(C)c1 79060588 RVKYFZOVKUQFOT-CABCVRRESA-N 360.548 5.400 0 40 FKAB O=C(Cc1cccc(Cl)c1)Nc1c(O)c(Cl)cc(Cl)c1Cl 95450660 FRTACGOYBUAFKV-UHFFFAOYSA-N 365.043 5.187 0 40 FKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccco1 102615379 MUBVXISYJOHYCQ-OAQYLSRUSA-N 364.445 5.482 0 40 FKAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 223427374 AYZKBFLXJSLQJX-SNAUHIFDSA-N 365.517 5.568 0 40 FKAB COCc1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 223428758 QXAOWKQSDBTNIF-XQNSMLJCSA-N 373.452 5.021 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Cl)cc1 225677192 UHKJWJAWGKQFTI-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2)c1 225697976 DDXMDKWPCYKVPF-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OCC 408565827 AWYLBZQSIPAXIV-PKNBQFBNSA-N 359.853 5.179 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 408628790 AHPWOEDGFPCDEH-UHFFFAOYSA-N 370.924 5.952 0 40 FKAB CCOC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(C)cc2)n1 408726755 UAXRWVNPOZMHFG-UHFFFAOYSA-N 356.425 5.178 0 40 FKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1 409109857 MVEAELWVRZCUGW-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1CCCc1ccccc1 409125469 MOIYURKNKUJHAT-GHRIWEEISA-N 357.862 5.009 0 40 FKAB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1cccc2ccccc12 677870 SGUANJHUERUZTK-UHFFFAOYSA-N 357.796 5.447 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Cl 840439 RQPVSYFWOZTCFE-JTQLQIEISA-N 358.652 5.361 0 40 FKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c2c1 857094 GMIWYNGWFVDBIS-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Cc1ccc2ccccc2c1NC(=O)c1sc2cc(F)ccc2c1Cl 863032 IEMGSMZUAIQFIF-UHFFFAOYSA-N 369.848 6.408 0 40 FKAB Cc1cc(/C=C(/C(=O)O)c2cc(Cl)sc2Br)cs1 984447 PRBFJJQGUBRBNQ-YCRREMRBSA-N 363.685 5.159 0 40 FKAB COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)c(OC)c1 1036414 MVRJPJLFUVYEMI-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C 1510611 BOOXZRUOLFQSOH-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OCOC(C)=O)cc1 1705432 RZWYEKGKFDVTDP-VXKWHMMOSA-N 356.462 5.282 0 40 FKAB O=C(NC1CCCCCC1)c1cccc(COc2ccc3ccccc3c2)c1 2750831 HSJWANNUZDMTSJ-UHFFFAOYSA-N 373.496 5.871 0 40 FKAB CCCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2751521 QZZVLQQFQOUVEW-UHFFFAOYSA-N 373.283 5.739 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 3256193 USLPFTGXSMOQFX-UHFFFAOYSA-N 373.235 6.143 0 40 FKAB FC(F)(F)c1cccc(CSc2nnc(NC3CCCCC3)s2)c1 3274335 LETUVUHMNKDKNJ-UHFFFAOYSA-N 373.469 5.594 0 40 FKAB O=C(Oc1cccc(Cl)c1Cl)c1ccc(Oc2ccccc2)cc1 3280371 ZLIURICQPIDNDM-UHFFFAOYSA-N 359.208 6.005 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 3451193 GAJATBPDZMYUKI-SFHVURJKSA-N 372.468 5.047 0 40 FKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2ccccc2)n1 4365286 UHUUOLUQFFROOB-UHFFFAOYSA-N 363.770 5.428 0 40 FKAB Cc1ccccc1C(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 4988509 PFQWEYNAOZXBLH-UHFFFAOYSA-N 358.397 5.070 0 40 FKAB Cc1ccccc1CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 5237623 VIISCPWFASBVIF-UHFFFAOYSA-N 364.495 5.252 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ccc2c(c1)OCCCO2 5365812 YALTYOXHWDSCIR-AWEZNQCLSA-N 367.470 5.001 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1OCC 8038107 UGJYADULSCUZCB-UHFFFAOYSA-N 369.505 5.814 0 40 FKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063232 TXEZELUTILJBSF-UHFFFAOYSA-N 370.924 5.062 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3cccs3)c2C1)CCCC4 12610102 GUEUNTDAVKRCTL-ZDUSSCGKSA-N 353.556 6.419 0 40 FKAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(Cl)sc1Cl 12622183 AFVXQMGRNHKTPR-JTQLQIEISA-N 362.278 5.161 0 40 FKAB CC(C)c1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 12801584 XZBSQGKTAQVYDU-MRXNPFEDSA-N 369.515 5.134 0 40 FKAB CC(C)CN(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1 12817214 SKCXJYKSPXIFOQ-UHFFFAOYSA-N 363.486 5.009 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 13069973 ZFXVEUTZBZQLJT-OAHLLOKOSA-N 359.897 5.063 0 40 FKAB C/C(=N\NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1 13408733 IYDBAKSZTCQSKT-QMZJXTFRSA-N 369.553 5.310 0 40 FKAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Cl)cc1Cl 18192520 FTDRDGLQWKRINJ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1C 22245761 ZNDZKLPBYVDWAR-UHFFFAOYSA-N 355.438 5.203 0 40 FKAB C[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 29511022 QYSKKWUIQMPDCJ-OAHLLOKOSA-N 364.420 5.020 0 40 FKAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1OC 32115041 QRLRHGOHMMKYIJ-UHFFFAOYSA-N 374.868 5.038 0 40 FKAB Cc1c(Cl)cccc1Nc1c(-c2ccc(O)cc2)nc2cccc(C)n12 35616525 IYRSACLXCTXOQM-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CSc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 40487495 JIDYEQGOCGVHLM-GMAHTHKFSA-N 372.493 5.651 0 40 FKAB Clc1ccc(Nc2nc(NCCC3=CCCCC3)nc3[nH]cnc23)cc1 49029857 DLPWSSFNDXZZHB-UHFFFAOYSA-N 368.872 5.052 0 40 FKAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(Oc3ccccc3)cc2)cc1 59472462 HGYAOCWBMQDDGO-UHFFFAOYSA-N 370.408 5.338 0 40 FKAB CC(C)=C1OC(=O)C(C)(C)[C@@H]2C=C(/C=C/c3ccccc3)c3ccccc3N12 71789348 NEIVHDSOBDWYQG-FRFYRWIFSA-N 371.480 5.806 0 40 FKAB CC(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1cccc2ccccc12 72289139 JKUKLURDKNGWAL-JOCHJYFZSA-N 362.473 5.063 0 40 FKAB O=C(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 102424372 NGNPHNWIFLLNLJ-RZUBCFFCSA-N 353.893 5.442 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1C 107019589 FTOYFLGZBXHJIO-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)n1 170564507 NNPOVTGJIOAZEZ-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB Cc1ccccc1[C@H]1CCN(C(=O)c2cc3ccccc3o2)CCS1 219280780 VRGLTTPQUJLYHA-HXUWFJFHSA-N 351.471 5.062 0 40 FKAB CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc2c(c1)CCCC2 223069028 LYGJBUKWUOQEEO-LJQANCHMSA-N 363.457 5.201 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 223395006 CPXDOKRKBYKQIH-PMGBHYCQSA-N 362.300 5.809 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1C 224556379 CSRTUCXOCGACNL-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)c(C)c1 225374096 KJIAFFYCNUJOGA-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544295 IRXLOBRVBKWOCS-UHFFFAOYSA-N 369.480 5.845 0 40 FKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1C 225789000 SABIBFBEPDGVNI-KRWDZBQOSA-N 356.535 5.181 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 250113040 JYTFDKSVRVWORY-IAEISPRFSA-N 353.849 5.335 0 40 FKAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(CC3CCCC3)n2)c1 585265648 WLKWFANRPRDCAT-UHFFFAOYSA-N 353.462 5.275 0 40 FKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 828050 OPFNNHMMADVHKR-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB Cc1cccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)c1 1413917 JJZUKUIWVSSLPV-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1ccc(OCCSc2nc3ccccc3n2Cc2ccccc2)cc1 2056529 IGVVBNKMJIXCAO-UHFFFAOYSA-N 374.509 5.564 0 40 FKAB CC(C)CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2406039 WKGYNOXZQIVVRW-UHFFFAOYSA-N 354.523 5.310 0 40 FKAB CP(=O)(Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 2577692 SGNRMAWWRRHDMZ-UHFFFAOYSA-N 351.120 5.619 0 40 FKAB in-vitro O=C(NCc1cccs1)c1sc2cc(OC(F)F)ccc2c1Cl 2790848 WRUDBVDQKYFUMN-UHFFFAOYSA-N 373.833 5.148 0 40 FKAB CCCCCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1 3150691 LPFUZAPRRWLCIZ-UHFFFAOYSA-N 362.267 5.270 0 40 FKAB c1ccc(-c2oc3ncn4nc(C5CC5)nc4c3c2-c2ccccc2)cc1 3246581 PFMKEQBPWQJXBI-UHFFFAOYSA-N 352.397 5.082 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 3297661 JCEKEJDNKAJINF-MRXNPFEDSA-N 357.453 6.281 0 40 FKAB CCCCC(=O)OCC1(COC(=O)CCCC)[C@@H](C)C=C(C)C[C@H]1C 4023594 XDMBDIBUEQTDBG-ZWKOTPCHSA-N 352.515 5.062 0 40 FKAB biogenic Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1Cl 4603004 RKGSGSVCGPILRD-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1Cl 4798158 AIWLWRKJNPSWTF-HXUWFJFHSA-N 366.823 5.559 0 40 FKAB CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1 5498823 BZQNDPCRIURTJK-JXFKEZNVSA-N 351.556 5.279 0 40 FKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 6959191 MVRIJUXUUIKFLU-UHFFFAOYSA-N 360.668 5.666 0 40 FKAB CC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 7094295 MTAPBJGHDVFGTP-UHFFFAOYSA-N 368.285 5.068 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 14707104 SMLLRAOTMLFTCB-LJQANCHMSA-N 373.496 5.485 0 40 FKAB CCCCCC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 20976039 SOAUHLJGYCCBTO-UHFFFAOYSA-N 364.493 5.371 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@H]1c1ccsc1 48234721 JEUAIMBIMFJWGK-INIZCTEOSA-N 355.488 5.241 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 57378627 NEFVCGXCFRYHTD-LBPRGKRZSA-N 360.379 5.029 0 40 FKAB CC[C@](CCCN(c1ccccc1)c1ccccc1)(OC)c1ccccc1 67340235 OTXHDMBXEVLDGX-RUZDIDTESA-N 359.513 6.557 0 40 FKAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@@H](c2cccnc2)S1 71283697 LEXJLIRSMYUYBD-QGZVFWFLSA-N 356.495 5.155 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)c1 113932654 WAQLDRBUNXHCFF-AWEZNQCLSA-N 365.901 5.207 0 40 FKAB Cn1c(C(=O)N(c2ccccc2)c2ccccc2)cc2cc(Cl)ccc21 199414700 OAGQEQHUDRMHPT-UHFFFAOYSA-N 360.844 5.810 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 222594800 ZKIFGHNTELODBJ-QGZVFWFLSA-N 351.490 5.403 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 222885990 BFFDKWQJZFLAGP-QGZVFWFLSA-N 352.261 5.352 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 222891522 NBQSBKIQOTXLMC-VGSWGCGISA-N 367.533 5.581 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223371862 JYFPDYQDXKOQLT-LAUBAEHRSA-N 369.505 5.162 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224423667 YPLFFEWDQBERTR-MRXNPFEDSA-N 359.469 5.468 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)c(C)c1 225476515 WBOZBDHJEBAAGQ-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(Cc3ccc(Br)cc3)oc12 226246635 CCYUBNBXTPDZEZ-UHFFFAOYSA-N 367.246 5.280 0 40 FKAB COc1ccc(Cl)cc1-c1cccc(C(=O)O)c1OCc1ccccc1 257276640 NUOHVAWPDDXOGV-UHFFFAOYSA-N 368.816 5.293 0 40 FKAB COc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 408585674 HCICTGWMOYKBQH-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB Cc1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408971974 NAGBTTCTNVELMU-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB CC(C)n1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 703988 LETVQNXAIOBXNK-GOSISDBHSA-N 369.468 5.291 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4F)c3C)nc2c1 1413945 CIAGYBJOBLXKSJ-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB Clc1ccccc1CSc1nc2cc(Cl)c3cccnc3c2o1 1440839 LDBCYZSYINAYTR-UHFFFAOYSA-N 361.253 5.975 0 40 FKAB Clc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2295936 CCUDHLUWZKQNRR-UHFFFAOYSA-N 351.862 5.439 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1F 3213984 BMBHFJJDCFRMQO-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB O=C(OCc1ccc(Cl)cc1)c1c(Cl)ccc(Cl)c1Cl 3258485 BKAIYMZVEQKLOR-UHFFFAOYSA-N 350.028 5.657 0 40 FKAB Clc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1Cl 3259457 MUVFRDIOVXMCFB-UHFFFAOYSA-N 372.280 6.409 0 40 FKAB CCCOc1ccccc1Oc1nc(C)nc2sc3c(c12)CCCC3 3418598 UVCLZQYSOKZHOW-UHFFFAOYSA-N 354.475 5.460 0 40 FKAB O=C(CSc1c(Cl)cccc1Cl)N[C@@H]1CCCc2ccccc21 3424195 RHMVLLIBVRPCQJ-MRXNPFEDSA-N 366.313 5.279 0 40 FKAB Fc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3cccs3)C2)cc1 4357033 VPWCKRYQNMPPNX-GOSISDBHSA-N 356.853 5.896 0 40 FKAB Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3cccc(F)c3)cc2)o1 5002013 YGAYWLBDIYBUPI-UHFFFAOYSA-N 362.360 5.301 0 40 FKAB Cc1ccccc1[S@](=O)Cc1c(C(=O)c2ccccc2)oc2ccccc12 5218772 XGBZICVNTXHROB-MHZLTWQESA-N 374.461 5.280 0 40 FKAB Cc1ccccc1OCCn1cc(C(=O)C2CCCCC2)c2ccccc21 6422591 WDJHWQAJZGVVGL-UHFFFAOYSA-N 361.485 5.792 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)Cc1ccco1 6526994 RSJNEQOFSGVWJS-UHFFFAOYSA-N 365.216 5.414 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OCc1ccccc1 6948518 SIQRZVMXTODRSZ-JOCHJYFZSA-N 357.453 5.073 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3cccs3)cs2)c1 6968448 ZMUMETWDCBPPNM-UHFFFAOYSA-N 366.920 5.499 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 7511491 BQRUOICKEMUVLH-UHFFFAOYSA-N 360.693 5.768 0 40 FKAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1N(c1ccccc1)c1ccccc1 9730822 YPMDHKWUVJERSM-HSZRJFAPSA-N 360.501 5.664 0 40 FKAB CCc1cccc(CC)c1NC(=O)CNc1ccccc1-c1ccccc1 11618682 WRJOCPSMRRJMPB-UHFFFAOYSA-N 358.485 5.529 0 40 FKAB Cc1ccc2cc(NCc3cc4cc(C(C)C)ccc4[nH]c3=O)ccc2n1 13561292 KQDZUDQQNMBSIT-UHFFFAOYSA-N 357.457 5.120 0 40 FKAB Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C 14255328 BGOGEXNOQWPENG-UHFFFAOYSA-N 364.681 5.064 0 40 FKAB Cc1ccc2nc(-c3cccc(NC(=O)c4cccnc4Cl)c3)oc2c1 16348702 OIVVWYRIGMOTOZ-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 16349113 SNBKDTKZKULWRP-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1C 20454653 FBIYOUUZBPMLJJ-HXUWFJFHSA-N 353.849 5.598 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 20461071 GLVDHFRXWYLSKS-GFCCVEGCSA-N 351.924 5.571 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3cc(C)ccc3C)ccc21 20461953 OQKGWOHVQJEMSR-UHFFFAOYSA-N 356.469 5.612 0 40 FKAB COc1ccccc1-c1cc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 21150512 NVPDYGVISFZXCN-UHFFFAOYSA-N 364.836 5.110 0 40 FKAB Cc1ccc(/N=c2\scc(-c3cccc(C)c3)n2-c2cccc(C)c2)cc1 27525553 XUQURBXVIIBUSV-IZHYLOQSSA-N 370.521 6.363 0 40 FKAB Cc1ccccc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 27793599 VPPFVYSTHRZLBK-OAQYLSRUSA-N 354.453 5.038 0 40 FKAB Cc1nccn1-c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 32501721 ULDBAUJUVUWHBS-UHFFFAOYSA-N 367.861 5.301 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCCCCC3)cc2)c(C)c1 38856135 XTJSMWALKFBBLR-UHFFFAOYSA-N 350.506 5.240 0 40 FKAB COCc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 46032606 UOHAOGBPOCZBBL-JOCHJYFZSA-N 372.468 5.013 0 40 FKAB Cc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)c2cccnc12 65487834 HWAIPNHBBWLKQA-UHFFFAOYSA-N 353.784 5.069 0 40 FKAB Cc1ccc(-c2nc(-c3ccc(-n4nncc4C(C)(C)C)cc3)cs2)cc1 65595648 YDNASWBNGOSTLT-UHFFFAOYSA-N 374.513 5.664 0 40 FKAB CCS[C@@H]1CC[C@@H](N(C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 72305267 DHMWXFMXBOQOSR-NHCUHLMSSA-N 368.546 5.045 0 40 FKAB Clc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 73639167 XMQHVMRCUUHJOJ-UHFFFAOYSA-N 358.622 6.064 0 40 FKAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223149794 GKESFRPAXCEWFK-AORWBKJGSA-N 360.284 5.373 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223196995 NDXIONAHKHSQSH-IRXDYDNUSA-N 365.517 5.118 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)c(C)c1 225055078 UIXZCHCRLLNDJI-UHFFFAOYSA-N 361.510 6.156 0 40 FKAB c1ccc([C@@H]2C[C@H](c3ccccc3)n3c4c(c5ccccc53)CCC[C@H]42)cc1 229932061 FHODAKNLNSDHSR-KYPHJKQUSA-N 363.504 6.838 0 40 FKAB CCCn1c(Cc2ccccc2)nnc1SCCCc1ccccc1 409098421 OSUHEVZAMBGYSB-UHFFFAOYSA-N 351.519 5.004 0 40 FKAB O=C(NC[C@H](c1ccsc1)c1ccco1)C1(c2cccs2)CCCC1 675007837 TXSAZNOFQDEPFE-MRXNPFEDSA-N 371.527 5.163 0 40 FKAB CC(C)(c1ccncc1)c1noc(-c2[nH]c3ccc(Cl)cc3c2Cl)n1 1775987002 PKUUAALBSBLOBZ-UHFFFAOYSA-N 373.243 5.246 0 40 FKAB C[C@H]1CC(C)(C)N(C)c2ccc(-c3nc(O)cc(-c4ccccc4)n3)cc21 1857624809 ZVLMXORNJOBLBE-HNNXBMFYSA-N 359.473 5.238 0 40 FKAB O=c1c2c(-c3ccc(Cl)cc3)csc2[nH]c(=S)n1-c1ccccc1 632027 BSPJUVWKUMMBCA-UHFFFAOYSA-N 370.886 5.430 0 40 FKAB CC(C)Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 892223 QQVNETBTCQJZNF-UHFFFAOYSA-N 373.283 5.992 0 40 FKAB Cc1ccc2nc3sc(-c4nnc(-c5ccccc5)o4)c(N)c3cc2c1 907317 QANIPIUPYAPNGJ-UHFFFAOYSA-N 358.426 5.057 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(Cl)c(C)c1Cl 1729522 XZAYNBYDWJBGPA-SFHVURJKSA-N 360.369 6.018 0 40 FKAB CCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc23)cc1 1777769 RYHXSDXWZDONSV-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB Clc1ccc(Oc2ncnc3sc4c(c23)CCCCC4)c(Cl)c1 1895256 UDXITGILJJXJFM-UHFFFAOYSA-N 365.285 6.059 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccc(C)c(C)c3)c2c1 2079382 YJFKTDOQZZGBBU-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB CCOC(=O)CCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242957 HEORLJCWMDPBAM-UHFFFAOYSA-N 370.289 5.030 0 40 FKAB Cc1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 2695667 KIYDDIAUNOOODU-UHFFFAOYSA-N 362.476 6.137 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 2708425 NMONIVDHRRRWGP-UHFFFAOYSA-N 351.427 5.027 0 40 FKAB O=C(Nc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)C(=O)c1ccccc1 3327238 XRVWQKKRGIQJNR-FQEVSTJZSA-N 363.844 5.020 0 40 FKAB CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 4113823 YEQWUTURGFFZLM-HKBOAZHASA-N 365.860 5.379 0 40 FKAB Cc1nc2cc(C(=O)O[C@H](C)c3ccc(F)cc3)ccc2n1-c1ccccc1 4289269 XHUNBAYLOGKCKO-OAHLLOKOSA-N 374.415 5.391 0 40 FKAB Cc1cccc(-c2c(NC(=O)c3ccco3)sc3ccccc3c2=O)c1 5352121 OXKNWCJWTNRZEN-UHFFFAOYSA-N 361.422 5.082 0 40 FKAB O=C(Oc1ccc(Cl)c2ccccc12)N(c1ccccc1)c1ccccc1 5900713 ZGODARQZGBSQQU-UHFFFAOYSA-N 373.839 6.830 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C)c(C)c1 6438945 LIJVSQZABGXENH-FNORWQNLSA-N 350.245 5.271 0 40 FKAB C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 8266990 ZFKULNWBQFXRIJ-SNVBAGLBSA-N 369.715 5.150 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1c(Cl)cccc1Cl 8479350 OOYDDGXCYKFMSG-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB CCc1ccc([C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2cccs2)cc1 10447650 SKYJDFGEXFSOFU-HSZRJFAPSA-N 374.509 5.240 0 40 FKAB Cc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 12609039 PGLZKBZCYJNXGT-UHFFFAOYSA-N 366.464 5.700 0 40 FKAB Cc1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCC3)cc1 13756003 OLHUXSZOWLLBNJ-UHFFFAOYSA-N 363.530 5.540 0 40 FKAB CCOc1cc2c(cc1/C=C/c1nc3cc(Cl)ccc3o1)O[C@@H](C)C2 15352362 VWQCXMGTLGZXSS-NTYUQYKDSA-N 355.821 5.374 0 40 FKAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3cccc(Cl)c3)c2C)cc1 17314627 JADZBAXKCRBADF-INIZCTEOSA-N 367.924 5.361 0 40 FKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Oc2ccccc2)cc1 20064329 NEOQYNMLAAXPEQ-INIZCTEOSA-N 361.416 5.600 0 40 FKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20454252 BCXHQMBBDNSCEZ-AVRDEDQJSA-N 367.533 5.655 0 40 FKAB COc1cccc2c1ncc1c(-c3ccccc3)nn(-c3cccc(F)c3)c12 21017328 AQGBRIYWQRNLTB-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccccc2Cl)cc1 30858824 MCDXZEWAOQUWCE-YPNIWSFNSA-N 357.881 5.265 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30860726 AKJLRUUQPNXQKK-FOIQADDNSA-N 373.924 5.672 0 40 FKAB Cc1noc(C)c1CSc1ccccc1C(=O)NC1CCCCCCC1 36226609 GXDZOGQVJMBZLH-UHFFFAOYSA-N 372.534 5.426 0 40 FKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2F)N1c1ccc(F)cc1 40485780 CBLKJFFAPVLDHY-HXUWFJFHSA-N 363.363 5.022 0 40 FKAB Cc1ccc2c(Nc3ccccc3C)c(C(=O)N3CCCCCC3)cnc2n1 49004727 RTMNZELCJAKWIK-UHFFFAOYSA-N 374.488 5.006 0 40 FKAB C=Cc1ccc(CSc2nccn3nc(-c4cccc(OC)c4)cc23)cc1 57510836 BUBJLAHRCFDZCT-UHFFFAOYSA-N 373.481 5.340 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 72214698 SCMHPBPKBOWNEA-SFHVURJKSA-N 361.530 5.169 0 40 FKAB C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 105762689 VWYRUAJOAWWHQP-ZHPDPMBESA-N 351.874 5.248 0 40 FKAB C[C@]12CC[C@H]3[C@@H](C=C[C@@]45C[C@@H](O[C@@H]6CCCCO6)CC[C@]34C5)[C@@H]1CCC2=O 118936521 DVWMKPXIAINHCS-BARXSCCESA-N 370.533 5.040 0 40 FKAB O=C(c1ccc2[nH]ccc2c1)N1CCS[C@H](c2ccccc2Cl)CC1 206995508 PMCXJXDVSVTNJU-IBGZPJMESA-N 370.905 5.142 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C 223398598 BAHYXNBPRPRIMP-INIZCTEOSA-N 361.938 5.376 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223495479 HNFOSLJZNCQWPN-WOJBJXKFSA-N 367.533 5.688 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225538128 FHVTYGVVCJKVTM-QGZVFWFLSA-N 368.546 5.672 0 40 FKAB Cc1ccc(C2(NC(=S)Nc3ccc(C)c(Cl)c3)CCCC2)cc1 225852504 JIMINXQZYRYMAO-UHFFFAOYSA-N 358.938 5.713 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C)n1 225868247 FQOPDMNHRSTMDY-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(Cl)c3)oc2c1 226283890 FYWHXYUCRKDQTL-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB Cc1cc(C)c2oc(C3=CCN(Cc4ccc(F)cc4Cl)CC3)nc2c1 226307846 BMGPANURNTUFBL-UHFFFAOYSA-N 370.855 5.526 0 40 FKAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257348797 IYZAKBWNGQBORB-MMCSLPJJSA-N 360.538 5.168 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(CSCc2ccccc2)cc1 408783541 OFISRVCIPVOEMO-UHFFFAOYSA-N 361.510 5.989 0 40 FKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 408826762 KSJKCJTWHQZUIP-UHFFFAOYSA-N 356.878 5.668 0 40 FKAB CC1(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)CCCCC1 1615159450 UQAWBIBWUBRTMU-XLIONFOSSA-N 372.528 5.002 0 40 FKAB COC(=O)c1c(C)n(CCC2=CCCCC2)c2c1cc(O)c1ccccc12 719876 JHUNQKHWATYKNT-UHFFFAOYSA-N 363.457 5.486 0 40 FKAB Cc1cc(C)cc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 863025 KTDQVRIJXLWNCU-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB Cc1cc(C)cc(OC(F)(F)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 1393226 INLIHGOXCIHUKR-UHFFFAOYSA-N 360.187 5.221 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c(C)c1 1437021 YKBQATXAKYFIBZ-CORXRNQCSA-N 367.492 5.785 0 40 FKAB COc1ccc(C2=C(c3ccccc3)c3c(OC)cc(OC)cc3OC2)cc1 1593136 PQWGLYOCOBTJBN-UHFFFAOYSA-N 374.436 5.064 0 40 FKAB CCN(CC)CCCCCCNc1cc(OC)c(Cl)c2cccnc12 1596773 YJYDXOOEIQLFBV-UHFFFAOYSA-N 363.933 5.211 0 40 FKAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(Cl)cc1C 1911107 BGMILKCCIIIWKD-UHFFFAOYSA-N 368.864 5.679 0 40 FKAB C(=C/c1ccccc1)\CSc1nnc(-c2ccccc2)n1-c1ccccc1 2453641 MGXIFOVZBQLXSF-JLHYYAGUSA-N 369.493 5.740 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(c5ccccc5)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849765 DVFACKFNDPANLI-HUVRVWIJSA-N 350.546 6.084 0 40 FKAB biogenic CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162421 LGOBFHRLVCCSRN-UHFFFAOYSA-N 350.418 5.060 0 40 FKAB Cc1ccc(C)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4361200 CJKCUQWDOVKXGB-UGKGYDQZSA-N 360.482 5.607 0 40 FKAB CSc1ccc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc1 4733437 NREKPJRHQMQPBA-UHFFFAOYSA-N 374.513 5.985 0 40 FKAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1c(C)cccc1C 4849323 JXQUTOYEAHDFJS-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB C[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2 4899324 NNLZRTQGMULSBB-NYTDYGLBSA-N 365.561 5.682 0 40 FKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1/C=C/c1ccccc1 5163972 MHPOIPJBSNLYKQ-KXKTWFEWSA-N 351.453 5.755 0 40 FKAB Cc1c(-c2ccccc2)sc2[nH]c(=S)n(-c3ccccc3)c(=O)c12 5265789 XBRZNWJSJLWIIY-UHFFFAOYSA-N 350.468 5.085 0 40 FKAB C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]1(C)[C@H]2C 5275372 RCUTXCNUFHNHOK-CPJFKCOKSA-N 374.565 5.078 0 40 FKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 5556053 HRSLEIVTVCMXNX-LADGPHEKSA-N 372.443 5.685 0 40 FKAB CCN(c1ccc(NC(=S)Nc2cccc3ccccc23)cc1)C(C)C 5636931 ZDIMUCRHGFEEFG-UHFFFAOYSA-N 363.530 5.883 0 40 FKAB COc1cc(C)c(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1OC 6259065 LQFIMFHVKNIRNG-LJQANCHMSA-N 361.869 5.044 0 40 FKAB Fc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cc1 6399566 VJPUHMOGNZKYRW-UHFFFAOYSA-N 363.417 5.173 0 40 FKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ncc(C(F)(F)F)cc1Cl 6944495 RPEKCDJODJWRJV-SNVBAGLBSA-N 374.815 5.182 0 40 FKAB COc1ccc(CNCc2ccccc2OCc2ccccc2Cl)cc1 7538272 FOYMJTODPRXXCJ-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2n1 8590685 ZDZXLWYQGNAFBF-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1C(C)(C)C 12915331 DDOJZQXGOILBTQ-UHFFFAOYSA-N 356.516 5.730 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccc(Cl)cc1Cl 20043396 LFXBLZQJQJUFLD-WEVVVXLNSA-N 354.664 5.319 0 40 FKAB C[C@H]1CC(=O)c2c(Nc3cccc(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20672221 YFBOHJLBOLZXKM-GFCCVEGCSA-N 369.827 5.173 0 40 FKAB c1ccc(-c2nc(NC3CCCC3)c3oc(-c4ccccc4)nc3n2)cc1 28287216 UKBWLWZGYKVJMJ-UHFFFAOYSA-N 356.429 5.306 0 40 FKAB Cc1oc(-c2cccs2)nc1CN(C)[C@H](C)c1cc2ccccc2o1 30005728 BVLUCCZKNJWURU-CYBMUJFWSA-N 352.459 5.651 0 40 FKAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccc(Cl)cc1 33394510 WGIATYJKJMFNLS-GUSDSWBTSA-N 370.861 5.002 0 40 FKAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)c2ccc3ccccc3c2)c(C)c1 40157336 HENCQGHEXCXIDG-LJQANCHMSA-N 360.501 5.397 0 40 FKAB Cc1cc(C)cc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 64472422 QTOJZJHVKYTQOD-UHFFFAOYSA-N 372.493 6.075 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1SC1CCCCC1 72217299 WAYTVOZJDMGQJA-KRWDZBQOSA-N 362.539 5.578 0 40 FKAB Fc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1 107040802 XDNVTKYUVCRGAX-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 219065203 HDRNQKPNSWGGMK-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224893384 WVPIFWQBNKPZPE-UHFFFAOYSA-N 374.827 5.914 0 40 FKAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)OCc1ccccc1 225132870 GWPHKCVZMBIMEU-FQEVSTJZSA-N 364.466 5.050 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 225199155 JCLYPGFGDYQBQM-QGZVFWFLSA-N 373.496 5.776 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br 225322537 RSVVCJKWUBWKOG-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225616291 LEYDKWIFYNNVTD-UHFFFAOYSA-N 363.542 5.446 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225653941 LPBQTHJGORFHEN-LJQANCHMSA-N 355.906 5.443 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225736572 CUVCEYWJBGQSDC-AVRDEDQJSA-N 363.542 5.651 0 40 FKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Cl)cc3)oc12 226286436 RMANSOROBDYBCH-UHFFFAOYSA-N 374.827 5.617 0 40 FKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 227145984 JNJITYZEHWZYID-WEVVVXLNSA-N 370.811 5.282 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc3ccccc13)N2 247411476 PJSKYJZDYXRLSG-AHGSGWTFSA-N 369.464 5.835 0 40 FKAB O=C(O)c1cccc(NCc2cn(Cc3ccccc3F)c3ccccc23)c1 408611673 QQHOYCPWVZAFRO-UHFFFAOYSA-N 374.415 5.139 0 40 FKAB O=C(OCC(F)(F)F)c1ccc(COc2ccc3ccccc3c2)cc1 998818 JMGDUKUVFJROHW-UHFFFAOYSA-N 360.331 5.138 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(C)c1 1986265 WOKIJBWGWYSUTC-UHFFFAOYSA-N 365.454 5.153 0 40 FKAB CCCCCNC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12 2081713 VSTULDNIDCODFL-UHFFFAOYSA-N 362.473 5.139 0 40 FKAB Cc1ccc(C)c(COc2ccc3c(=O)c(-c4ccccc4)coc3c2)c1 2104932 YVSDHMMYBCUDOT-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB biogenic O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2cc1O 2127225 RECQANCHHAZCPJ-UHFFFAOYSA-N 366.631 5.758 0 40 FKAB O[C@@H](CSCc1cccc(C(F)(F)F)c1)CSc1cccs1 2159532 WYZVNMJMUVOHAK-ZDUSSCGKSA-N 364.479 5.153 0 40 FKAB CCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 2221297 RBXBVUFQXYVFSX-UHFFFAOYSA-N 354.523 5.283 0 40 FKAB CCOc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1 2226156 SOMPCMMQAFOCNN-UHFFFAOYSA-N 357.413 5.145 0 40 FKAB Cc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(C)ccc32)cc1 2687730 GEMUOPLPMBUFMR-UHFFFAOYSA-N 363.464 5.868 0 40 FKAB Cc1cccc(OCCCn2c(Cc3ccccc3)nc3ccccc32)c1 2713379 RIKMFQREVMURLV-UHFFFAOYSA-N 356.469 5.405 0 40 FKAB COc1cccc(CN(C)c2nc(-c3cccs3)nc3ccccc23)c1 3326027 KOBSMOHGGZVOGI-UHFFFAOYSA-N 361.470 5.003 0 40 FKAB COc1cc2ccccc2cc1C(=O)OCc1ccc(Cl)c(Cl)c1 3329763 LBAHRDDPINRPMO-UHFFFAOYSA-N 361.224 5.512 0 40 FKAB FC(F)(F)c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 3583567 BJUXJOGDJWVPPL-UHFFFAOYSA-N 369.140 5.185 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H]1C[C@H](c2ccccc2)CCC1=O 3851760 CBLGISWYJDCLIC-XNXZFIKKSA-N 371.521 5.079 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)ccc1Cl 4072583 UYPDQAUKTNIGAY-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB Cc1cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2cc1C 4676527 BLJZUQNNGHIOJH-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 5415511 WMNWIQKWZBIACU-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB O=C(COc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 6215661 FPORWILFSDXIIC-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 6495726 XAWDPCSJNHBAJH-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccccc3c2C)cc1 6810710 RSTBELBGVGBZII-UHFFFAOYSA-N 359.425 5.485 0 40 FKAB C[C@@H]1CCCC[C@H]1NC(=S)N(C)C(c1ccccc1)c1ccccc1 7637417 HUWABKCWWUAPQK-YLJYHZDGSA-N 352.547 5.161 0 40 FKAB O=C(Nc1cccc2ncccc12)C1c2ccccc2Oc2ccccc21 7757889 PUYXZNXZBHDDKI-UHFFFAOYSA-N 352.393 5.111 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc(Cl)c1Cl 8382750 ZVECJSBIOSYJNM-UHFFFAOYSA-N 360.240 5.798 0 40 FKAB Fc1ccccc1Nc1nn(-c2ccc(Cl)c(Cl)c2)c(=S)s1 13988014 QMSIMCNXPZDCJP-UHFFFAOYSA-N 372.277 5.853 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3csc(-c4ccccc4)n3)sc2c1 14226881 JWZCOUMTGYWSOM-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB Clc1ccc(COc2ccc(CNCc3ccccc3)cc2)c(Cl)c1 16480120 HAQJONIFNYLPTK-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB Cc1cc(C)cc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)c1 18129877 WQMNBDGGONSLIX-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB Fc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 19321440 CMYCMFFKLWWPFO-UHFFFAOYSA-N 360.476 5.232 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(F)(F)F 20041400 KSIXIWPTXTUTLH-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB CN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)nc2ccccc12 20911231 ABQXTJGAPGAHDF-UHFFFAOYSA-N 356.878 5.099 0 40 FKAB Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)c1 26439927 BCRCBMUYJMQKMF-CLJLJLNGSA-N 370.540 5.143 0 40 FKAB O=C(Cc1cccs1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29013001 ZNSDTLNMPBBLSH-UHFFFAOYSA-N 368.405 5.072 0 40 FKAB CC(C)(C)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc1 33888662 JLYYFFPVASOOPO-ICFOKQHNSA-N 371.480 6.107 0 40 FKAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 39978244 MMRQREMOUJLIGU-UHFFFAOYSA-N 360.413 5.772 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351962 YKMBGNYMTDNQTG-KKSFZXQISA-N 369.505 5.028 0 40 FKAB COc1ccc(-c2csc(Nc3cccc4ncccc34)n2)cc1OC 69570311 NJBOXMZRXOYFMI-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB CC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(O)c(Cl)c2)S1 79488884 LEOFPQFLFGBJRG-SFHVURJKSA-N 369.877 5.177 0 40 FKAB O=C(Nc1cccc2[nH]ccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 84490431 MNYKGLZANQYCDN-UHFFFAOYSA-N 372.268 5.458 0 40 FKAB Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1Br 95917319 ZOCDQVGLVQLRKZ-UHFFFAOYSA-N 367.242 5.781 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219388302 DUWVKMAZLUGMHY-DNVCBOLYSA-N 361.938 5.705 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CCCOc2ccccc2)c2ccccc2O1 223000113 FSBOMSCHSPEXQN-FQEVSTJZSA-N 367.489 5.044 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C 223503407 HUYFSNFOPHLJLL-OAHLLOKOSA-N 364.316 5.729 0 40 FKAB CC1(C)C[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2O1 224980033 TYCXKGJEGUHYQR-QFIPXVFZSA-N 371.480 5.315 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(Cl)c1 225624482 XLAVRUXRGIXFAZ-UHFFFAOYSA-N 362.926 5.048 0 40 FKAB CCO[C@@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225718512 OHDHMAZCQDHTLF-AOMKIAJQSA-N 361.526 5.262 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)c2ncccc12 225887357 HANCLIBFRNLMJE-QFIPXVFZSA-N 372.509 5.338 0 40 FKAB O=C(NCCc1ccc(-c2ccoc2)s1)C1(c2cccs2)CCCC1 390829335 DRISVCWMQARQQA-UHFFFAOYSA-N 371.527 5.240 0 40 FKAB COc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 409118347 PEYFWIOIBVJFBO-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB O=C(Cc1cccs1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359059 OSONBWDGKPRBJH-UHFFFAOYSA-N 369.489 6.643 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1Cl 779054 ZPBLIHJGRYMLSP-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB COc1cccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 855427 AINKXEPEWPXEIY-VGSWGCGISA-N 372.468 5.287 0 40 FKAB FC(F)(F)c1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12 1595313 UYZOKZWTJAWDPE-UHFFFAOYSA-N 350.343 5.983 0 40 FKAB C[C@H]1CCCCN1c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1774692 YWAWBODWGXXKGY-KRWDZBQOSA-N 359.517 5.973 0 40 FKAB Cc1ccc(C)c(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 1779162 UIKPQQNQVJPNSJ-UHFFFAOYSA-N 366.505 5.091 0 40 FKAB Cc1c2occ(-c3ccc4c(c3)OCO4)c2cc2c3c(c(=O)oc12)CCCC3 2101781 VETBQEMENGERBC-UHFFFAOYSA-N 374.392 5.122 0 40 FKAB biogenic Clc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)c(Cl)c1 2246770 CWDDTBBMYFILNS-UHFFFAOYSA-N 368.223 5.791 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(Br)c2)cc1Cl 2662391 AEPJSJUZZDQLJH-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(F)c(F)cc1Cl 3280388 GDVUKMQGZJBCNL-UHFFFAOYSA-N 365.788 5.099 0 40 FKAB CC(C)(C)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1 3285675 YYLMFRFSDVYWND-UHFFFAOYSA-N 361.272 5.813 0 40 FKAB Cc1ccccc1C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655355 DCQAWAGOFYJPSH-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB Cc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccs1)=N2 4130002 CPJDXCOMGCROCA-UHFFFAOYSA-N 351.862 5.144 0 40 FKAB C[n+]1ccccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 4933009 PKIUEZARCIXOPC-UHFFFAOYSA-N 363.484 6.151 0 40 FKAB CCOc1ccc(Oc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 6079099 PNIORORJJLFGDM-UHFFFAOYSA-N 362.454 5.858 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1c(Cl)cccc1Cl 6864416 SHBUMAZWSDCQFU-UHFFFAOYSA-N 374.292 6.397 0 40 FKAB CCCCNCc1cc(Br)ccc1OCc1ccccc1F 7261665 DMWVXABQECIICS-UHFFFAOYSA-N 366.274 5.057 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1 7847327 BQCSRDTYWTWNJA-UHFFFAOYSA-N 374.390 5.741 0 40 FKAB O=C(OCc1cccc(F)c1)/C(=C/c1ccc(F)cc1)c1cccs1 7986478 YYMUEVPHXGHMES-LDADJPATSA-N 356.393 5.310 0 40 FKAB Fc1ccc(/C=C2\CCCC3=C2N=C(S)N[C@@H]3c2ccc(F)cc2)cc1 8686620 JDCHOZXTHQAWCS-LBKOFNPBSA-N 368.452 5.417 0 40 FKAB aggregator Cc1ccc2nc(N(Cc3ccccn3)C(=O)C3CCCCC3)sc2c1 10187609 UGZPYYKNIULIEA-UHFFFAOYSA-N 365.502 5.113 0 40 FKAB CC(C)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12916848 VIOPWPFIECSMJZ-UHFFFAOYSA-N 362.477 5.265 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccccc2F)cc1 13670185 WXNOCPDDRQYXLU-UHFFFAOYSA-N 373.537 5.105 0 40 FKAB O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1Cc1ccc(F)cc1 13942301 IYEOMBUVWPWIGM-JOCHJYFZSA-N 356.400 5.052 0 40 FKAB Cc1cc(CSc2ccccc2C(=O)Nc2cccc(Cl)c2)on1 14139270 HBBNVYSYESZKFD-UHFFFAOYSA-N 358.850 5.181 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccccn1 14625066 XQEZZDOTETWIOC-UHFFFAOYSA-N 369.496 5.247 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1Sc1ccc(Cl)cc1 16249295 QKDKUURAEIAKLF-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB O=C(NCc1cccs1)c1ccc(COc2cccc3ccccc23)o1 28224985 OEJUOTMOCDVFPZ-UHFFFAOYSA-N 363.438 5.003 0 40 FKAB CC(C)(C)c1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1 32034868 TXMNCBFIQUYAMQ-UHFFFAOYSA-N 360.457 5.210 0 40 FKAB CCCOc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)c2cccnc12 32623689 NKFBCIWTJNGYHL-UHFFFAOYSA-N 374.440 5.639 0 40 FKAB O=C(Nc1cccnc1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32647221 SUQIXFUPXPZMGA-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 34553986 TUPDNAUFOQVZDL-KKSFZXQISA-N 354.519 5.159 0 40 FKAB COc1ccc2cc(CNc3ccccc3OC(F)F)c(Cl)nc2c1 58367112 RUFPVVGAQYOSRE-UHFFFAOYSA-N 364.779 5.110 0 40 FKAB CCC(C)(C)NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 65403050 CPAYXNFXTZXAEJ-UHFFFAOYSA-N 356.413 5.056 0 40 FKAB Cc1c(NC(=O)N2CC[C@H]2c2ccccc2)cccc1OC1CCCC1 95351202 IDJMXTVJEPQXFN-FQEVSTJZSA-N 350.462 5.295 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1C 148172755 JEPTYJDEXWEBRQ-UHFFFAOYSA-N 364.470 5.029 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1Cl 225659153 STUMTHMBYQAPBT-HNNXBMFYSA-N 360.954 5.691 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1 225661484 XNZZNBNCONGCRQ-VGSWGCGISA-N 359.510 5.322 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccc(F)cc2F)c2ccccc2)c1 225699443 AJQMBKVGVVLBPH-HXUWFJFHSA-N 368.452 5.349 0 40 FKAB COc1ccccc1NC(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12 825300 VSFZBLNKXJSUHZ-QNAFOZIXSA-N 369.464 5.321 0 40 FKAB CCc1cccc(CC)c1NC(=O)/C(Br)=C/c1ccccc1 955902 BZAUMUIFEDPOFG-LGMDPLHJSA-N 358.279 5.186 0 40 FKAB CCc1ccccc1NC(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12 1022750 AUFKOIQMEYGAAB-GNCHDMCWSA-N 367.492 5.875 0 40 FKAB Cc1ccc(C)c(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 1326991 OLVWQUZWQMUUHY-UHFFFAOYSA-N 365.502 5.021 0 40 FKAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 1830830 KLONBEYMRHXBQF-KRWDZBQOSA-N 353.786 5.717 0 40 FKAB O=C(Oc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl 1860993 BFJKNNSDLHVSHE-UHFFFAOYSA-N 373.235 5.792 0 40 FKAB CCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21 1902042 UOZNFQGLDVSMHC-XMSQKQJNSA-N 350.506 5.935 0 40 FKAB C[C@@H](C(=O)Nc1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1 2183245 GWQXFRWKUSTNOD-CQSZACIVSA-N 353.824 5.888 0 40 FKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(C(C)C)cc3)nc2c1Cl 2786469 WGPLQLQMYIBIKD-UHFFFAOYSA-N 353.775 5.500 0 40 FKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1Cl 3124199 DTDHEAYVTKYCDB-UHFFFAOYSA-N 365.043 5.318 0 40 FKAB O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)N1CCCCC1 3125747 AYQJYDIJVJSIQI-UHFFFAOYSA-N 371.952 5.437 0 40 FKAB Cc1ccc(NC(=S)N(C)C(c2ccccc2)c2ccccc2)cc1C 3285576 GHJPBLCHQJJHST-UHFFFAOYSA-N 360.526 5.722 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1 3299449 DEQWWOJJTAHLQN-UHFFFAOYSA-N 361.300 5.492 0 40 FKAB aggregator COc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)cc1Cl 3434470 NLSOKESRCRVDED-UHFFFAOYSA-N 374.746 5.020 0 40 FKAB c1sc(C23CC4CC(CC(C4)C2)C3)nc1C12CC3CC(CC(C3)C1)C2 3900098 SIZXQCBNNFYZNH-UHFFFAOYSA-N 353.575 6.079 0 40 FKAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl 4174213 QMUXFUIWFZBDJE-GOSISDBHSA-N 366.873 5.393 0 40 FKAB CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](C)C2 4194467 PNBLMCSFJZKFIA-LLVKDONJSA-N 356.516 5.498 0 40 FKAB CN(C/C=C/c1ccccc1)CCOC(c1ccccc1)c1ccccc1 4215341 QTKQVDXGCWKEHE-SDNWHVSQSA-N 357.497 5.438 0 40 FKAB in-man Cc1sc(NC(=O)c2ccc(OC(C)C)cc2)nc1-c1ccccc1 4269332 WGEQJNGNGFGUTC-UHFFFAOYSA-N 352.459 5.158 0 40 FKAB CCCCCCOC(=O)C[C@H]1C[C@H](C(=O)OCCCCCC)C1(C)C 4403543 LQWWBUISXKONLQ-QZTJIDSGSA-N 354.531 5.286 0 40 FKAB Clc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4665048 POBOJHJMTUJOGH-FYYLOGMGSA-N 358.872 5.868 0 40 FKAB biogenic C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1cccnc1 5446993 VOQZMRPTRCTZDA-UHFFFAOYSA-N 371.490 5.890 0 40 FKAB Fc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 5462221 JNZGJCKYOYGQOC-FPOVZHCZSA-N 361.395 5.461 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc2ccccc12 6496642 DDSDJQMFHUAFHM-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 8335531 JTWCBPODKWWKRZ-UHFFFAOYSA-N 351.833 6.001 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)oc2c1 9141084 BZXLRJAVYHCFPG-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CCc1ccc(NC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1 9528989 DVDWHBCVSODXLW-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)cc1 12274530 RVBQNSMGGSSPLO-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)cc1 12567201 AHVOQKOWYIGJGT-LJQANCHMSA-N 358.869 5.498 0 40 FKAB CCCCC1CCC(C(=O)NCc2csc(-c3ccc(C)cc3)n2)CC1 15832623 BIZLEZPFTLTWSL-UHFFFAOYSA-N 370.562 5.731 0 40 FKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccc(Cl)cc2)n1 17075350 ODDACCPRLDZSHR-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3ccc(Cl)cn23)c1 35616412 DKHZCPAMQUNXDL-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CCc1ccc2oc(-c3ccc4nc(-n5nc(C)cc5C)sc4c3)nc2c1 40542391 WOIOOUZAGDHGHD-UHFFFAOYSA-N 374.469 5.469 0 40 FKAB Cc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)cc1 49005234 LURJIACLQIXBIO-KRWDZBQOSA-N 374.488 5.005 0 40 FKAB Fc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)ccc2o1 73638238 SCZIMAQIEZLFPL-UHFFFAOYSA-N 368.205 6.063 0 40 FKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc(C3CC3)on2)cc1 95347493 AFBQUQBUPAFYSI-UHFFFAOYSA-N 368.820 5.558 0 40 FKAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)cc1 96037345 FXWCIVMQXXHJJP-UHFFFAOYSA-N 359.473 5.529 0 40 FKAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222972255 HCWRPHBARAZFEI-MRXNPFEDSA-N 359.469 5.218 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1C 223432212 UPMFWNSPAPYXAS-KRWDZBQOSA-N 357.453 6.002 0 40 FKAB CC(C)CCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191679 DOXHRGXMVXTSKX-UHFFFAOYSA-N 365.955 5.219 0 40 FKAB CC[C@H](CNC(=S)Nc1ccc(OC(C)C)cc1)Cc1ccccc1 225632973 YSUNJLOKZHUCBV-KRWDZBQOSA-N 356.535 5.029 0 40 FKAB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]2[C@@H]2[C@H]1[C@H]1CC[C@@H]2[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C1)[C@H]1[C@@H]2CC[C@H](C2)[C@H]31 245241167 YJUVCBGGFBYMBC-SDJSLTHWSA-N 362.557 5.048 0 40 FKAB Clc1ccc(-c2nnc(Sc3ccccn3)n2-c2ccccc2)cc1 409104798 FNABKPLRMKMBEQ-UHFFFAOYSA-N 364.861 5.134 0 40 FKAB CCCn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1 409105889 PBPUOQXUZUIDJO-UHFFFAOYSA-N 373.909 5.180 0 40 FKAB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccccc2)c1 409110820 AGNKHOZMYJIDFU-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(C)cc3C)cc2Cl)cc1 409115512 RXQXPVXRJPKNCT-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB CC(C)(C)[C@H]1COC(c2cccc(C(c3ccccc3)c3ccccc3)n2)=N1 1988181063 HIAYJUBYJYLRGE-JOCHJYFZSA-N 370.496 5.453 0 40 FKAB Cc1cc(OCc2ccc(C(=O)NC3CCCCCC3)o2)ccc1Cl 649019 NSXPDNAEPHJMQU-UHFFFAOYSA-N 361.869 5.273 0 40 FKAB COc1ccccc1NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C 840276 XEPGBYGCMFBBTQ-JUIQIXIKSA-N 369.464 5.177 0 40 FKAB O=C(C[C@@H](C(=O)O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 1397587 RVDBAESUSIZMQG-GFCCVEGCSA-N 357.620 5.088 0 40 FKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12 1797590 XZFLXWQXKRINLW-UHFFFAOYSA-N 374.411 5.410 0 40 FKAB Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1Br 2079682 VUWWTSYVKZTGHY-UHFFFAOYSA-N 374.061 5.421 0 40 FKAB CN(Cc1ccccc1)c1nnc(-c2ccc(F)c(F)c2)c2ccccc12 3211013 WBMAPASVZUQFBQ-UHFFFAOYSA-N 361.395 5.211 0 40 FKAB COc1cc2ccccc2cc1C(=O)NCCc1ccc(Cl)cc1Cl 3331042 MFIRJSHKWLVNNX-UHFFFAOYSA-N 374.267 5.128 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 3998019 XXNRZZXPXAFYRJ-YUSVDLJSSA-N 357.497 5.328 0 40 FKAB O=C(COc1ccc(Cl)cc1)Nc1nc2ccc3ccccc3c2s1 4075753 TVJJGKMDLVWKBS-UHFFFAOYSA-N 368.845 5.120 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 4545801 ZZAIYMFWNNSMHI-WOJGMQOQSA-N 371.480 6.428 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1 4822033 JUGAGURZUCFILE-PKTZIBPZSA-N 355.497 5.223 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4897672 QDDFACYMTXCMLZ-GOTSBHOMSA-N 355.497 5.223 0 40 FKAB CCc1ccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)cc1 6168825 IOEIZRQUQUEYGM-UHFFFAOYSA-N 360.866 5.157 0 40 FKAB O=C(Nc1ccc(Br)c(Cl)c1)c1cc2ccccc2o1 6755855 MYCWKSHICSXYON-UHFFFAOYSA-N 350.599 5.101 0 40 FKAB Cc1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1C1CC1 7617558 HNQWHBPZBBIYMF-SFHVURJKSA-N 355.894 5.457 0 40 FKAB Cc1cc(=O)oc2cc(OCc3cc(-c4cccs4)on3)c(Cl)cc12 9722156 UNHYZCNCLYNAAY-UHFFFAOYSA-N 373.817 5.050 0 40 FKAB CCOc1ccccc1NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 11689985 LMYHZPREIAIXOY-UHFFFAOYSA-N 353.393 5.056 0 40 FKAB C[C@H](OCCCNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 12910390 VZMAZRGXWIZTPN-LBPRGKRZSA-N 370.251 5.030 0 40 FKAB CCOC(=O)c1cc(Nc2cccc(CC)c2)c2cc(Cl)ccc2n1 15829160 LYPHDYDSXGUGSC-UHFFFAOYSA-N 354.837 5.371 0 40 FKAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1 16201287 GMDCFVLYYICTLY-PXPBSWCZSA-N 363.379 5.094 0 40 FKAB Clc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12 16842521 BBMHNUXFYHYUKK-UHFFFAOYSA-N 351.862 5.342 0 40 FKAB OC(CNCc1ccc(Cl)cc1Cl)(c1ccccc1)c1ccccc1 20219105 RUBBJTFKKHUEPV-UHFFFAOYSA-N 372.295 5.019 0 40 FKAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072940 WBYOIKZHLMPXGT-UHFFFAOYSA-N 364.276 5.195 0 40 FKAB O=C(Cc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182633 SYTPYCMLABWSSQ-UHFFFAOYSA-N 362.376 5.010 0 40 FKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)CC1 38856756 HLRLDVPKIVSMHG-UHFFFAOYSA-N 350.506 5.294 0 40 FKAB CCCOC(=O)c1cccc(Nc2cc(C)nc3ccc(OCC)cc23)c1 41127717 DCUPOTVVIBJGNS-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C1CCCCC1 59447466 HIDXAJGBBRSQND-UHFFFAOYSA-N 354.837 5.667 0 40 FKAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2ccc(O)cc2)S1 71284907 GWJPGVDVCINYES-QGZVFWFLSA-N 357.479 5.076 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 78458901 OULXLMOUFRGQTK-OALUTQOASA-N 353.506 5.380 0 40 FKAB O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)Oc1ccccc1 85397248 SCGINETYOHUIFI-SDNWHVSQSA-N 364.828 5.538 0 40 FKAB CC(C)c1ccc(/N=c2/ssc3c2-c2ccccc2NC3(C)C)cc1 100707445 JPUQRQPMECZMSK-LSDHQDQOSA-N 366.555 6.493 0 40 FKAB Cc1ccc(OC[C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 219129708 HXEKWBCFFMKMAB-FQEVSTJZSA-N 373.496 5.101 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 224505433 RYRSNZSJMOOKCD-SFHVURJKSA-N 367.533 5.672 0 40 FKAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc(Cl)c1 225109425 OWGJQIIMYRBZCH-FQEVSTJZSA-N 368.816 5.207 0 40 FKAB Cc1cccc(C2(C(=O)Nc3cc(C)c(OC(C)C)c(C)c3)CCCC2)c1 225511209 WUOBGWNUAPDQDV-UHFFFAOYSA-N 365.517 5.850 0 40 FKAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225747246 NIKXEIATUHYPRS-GOSISDBHSA-N 371.546 5.103 0 40 FKAB COc1cccc(NC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 225759830 BXUDQNXRSNPKRB-UHFFFAOYSA-N 364.470 5.632 0 40 FKAB CC(C)c1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1 226269329 XERQHPWBOJKRKL-UHFFFAOYSA-N 362.351 5.143 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 408623939 VMOHCMKWCRHORP-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB c1ccc2sc(Sc3ccc(-c4nc5ccccc5s4)o3)nc2c1 409192073 UJUSCFGCDMZKJV-UHFFFAOYSA-N 366.492 6.317 0 40 FKAB O=C(Oc1ccc2ccccc2c1Cl)c1ccc(Cl)cc1Cl 1805421 BENBKLKGHVADAX-UHFFFAOYSA-N 351.616 6.019 0 40 FKAB COc1ccc2[nH]c(C)c(CCNCCC3=C(C)CCCC3(C)C)c2c1 2192299 SPDZJFFIYJXAGX-UHFFFAOYSA-N 354.538 5.534 0 40 FKAB Cc1ccc(SCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1C 2652935 CBBMJJUUAKZMGT-UHFFFAOYSA-N 354.302 5.649 0 40 FKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@@H](OC(C)=O)C[C@H]21 4478068 SGEFBVJZEOLACL-KKSHJYNMSA-N 372.505 5.055 0 40 FKAB CC[C@@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 4727406 CLIBUSQNMXYUIO-OAQYLSRUSA-N 355.437 6.232 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Cl)cc3)N=C(O)CCN21 4812449 SCDRCBGQKHIIGQ-YUAYGMJFSA-N 366.892 5.516 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCCCC1 5816122 PSDWMGVIITUJIB-UHFFFAOYSA-N 354.294 5.178 0 40 FKAB CCC(=O)c1ccccc1OCCCCN1CCCC[C@H]1c1cccnc1 6624461 HTCFVNAHTFRWGD-NRFANRHFSA-N 366.505 5.061 0 40 FKAB biogenic CCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 7261246 DJJUOGMZFBGFDI-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1OCc1ccccc1 7687510 DWWFKZRMMHXNIC-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N[C@H]1CCSc2ccccc21 8040013 GQNRUXSKNKZCLS-IBGZPJMESA-N 363.482 5.233 0 40 FKAB O=C(Nc1ccccc1)c1ccc(CSc2ncccc2Cl)cc1 11253094 QDAXTWUCBFVTED-UHFFFAOYSA-N 354.862 5.280 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 14257158 KTLLHONFTZQHST-UHFFFAOYSA-N 367.470 5.205 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Cl)cc2C)s1 15840166 BQTQAKOWAWBPAX-UHFFFAOYSA-N 362.907 5.323 0 40 FKAB Fc1ccc(CCNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 16399551 SVWPYMOXZCVOIN-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 20036872 WYQJIQCECUGEOR-UHFFFAOYSA-N 367.445 5.249 0 40 FKAB Cc1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 20366998 STSSOJGOZQQGBA-QHCPKHFHSA-N 365.436 5.314 0 40 FKAB Cc1c(C(=O)Nc2cc(-c3ccc(F)cc3)no2)oc2ccc(Cl)cc12 27992163 TWTASHYZVLPWSP-UHFFFAOYSA-N 370.767 5.441 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(c1ccccc1)c1ccccc1 28051454 AXGKWTBTGAMUCU-UHFFFAOYSA-N 357.240 6.364 0 40 FKAB Cc1[nH]c2ccccc2c1C[C@@H](c1ccncc1)c1c(C)[nH]c2ccccc12 32253788 BQQHCTBFOJLJAR-QFIPXVFZSA-N 365.480 6.036 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CCc2ccccn2)cc1 45221968 QFPRDSWQBBGODY-UHFFFAOYSA-N 374.528 5.412 0 40 FKAB COc1ccccc1NC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 59950460 UICNTNPEWBMNJZ-INIZCTEOSA-N 361.445 5.512 0 40 FKAB Cc1ccc(F)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 67297458 OBJLCBNFVVZEOM-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB CC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 67322041 UJVARFOATPNWPW-UHFFFAOYSA-N 357.866 5.474 0 40 FKAB C[C@H]1CCCCCN1C(=O)Nc1cccc(CSc2ccccn2)c1 72285064 GEAQPSKUXSANDJ-INIZCTEOSA-N 355.507 5.170 0 40 FKAB O=C(Nc1cc(F)cc(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 96171094 RGWAAWRJJQGFHQ-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC 106957022 HXEIVFFQOAMHBF-UHFFFAOYSA-N 374.695 6.056 0 40 FKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc1 196401310 ZUUDODCWAWBIHJ-UHFFFAOYSA-N 371.358 6.058 0 40 FKAB CSc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222687329 ALZUPHZGMBVSBL-UHFFFAOYSA-N 351.924 5.573 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225457519 YCGNNXZJJLPNOV-UHFFFAOYSA-N 368.502 5.927 0 40 FKAB CCOc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1 225806329 VRIHEVBRYQXWRA-UHFFFAOYSA-N 356.535 5.128 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 408629035 IXCWEYSXMPSVIG-UHFFFAOYSA-N 372.896 5.227 0 40 FKAB O=C1S/C(=C/c2ccc3[nH]c4ccccc4c3c2)C(=O)N1c1ccccc1 408903225 VYLFQQKWUOEAAQ-DEDYPNTBSA-N 370.433 5.562 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 1301431 IJESRGAPOSTFEX-UHFFFAOYSA-N 357.413 5.266 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(Br)c(C)c1 1644104 MRSVNCAPTXUDBP-IBGZPJMESA-N 370.375 5.473 0 40 FKAB Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2F)cc1 1791323 HGMNMTNIOZIQOK-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 2056202 UUXSBAYSYLYODE-RQZCQDPDSA-N 372.877 5.063 0 40 FKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 2183139 YSFWBWUGHQSDLO-UHFFFAOYSA-N 370.543 5.137 0 40 FKAB C[C@@H](NC(=O)Nc1cc(F)c(F)cc1Cl)c1cccc2ccccc12 2335149 MFYKNGWHSHFUGR-LLVKDONJSA-N 360.791 5.654 0 40 FKAB CC(C)c1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2557765 BTYGCLSOJGJMDF-UHFFFAOYSA-N 351.519 5.644 0 40 FKAB O=C(C1CCCC1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3362930 KRFCJZYGQWAVGA-UHFFFAOYSA-N 356.878 5.805 0 40 FKAB COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccc(F)cc1 4223007 VYZVOPVCTYKVIF-KRWDZBQOSA-N 365.448 5.264 0 40 FKAB COc1ccc(-c2cc(C(=O)Oc3ccccc3)c3cc(C)ccc3n2)cc1 4514934 NBVMUGFWRWVYHZ-UHFFFAOYSA-N 369.420 5.438 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(CCc3ccncc3)c2)cc1Cl 4709076 ZMRZAGWITINBOW-UHFFFAOYSA-N 350.849 5.081 0 40 FKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 4952381 DBZOBNOZAJVOAZ-UHFFFAOYSA-N 365.241 5.018 0 40 FKAB C[C@H](NC(=O)c1cc2ccccc2nc1Cl)C12CC3CC(CC(C3)C1)C2 5574886 KFRHWZPDIJTFPY-QRYOHXEKSA-N 368.908 5.223 0 40 FKAB CC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1-c1ccccc1 6235255 GJTPUMQPJPLUDW-UHFFFAOYSA-N 362.410 5.011 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 7224752 VENRFGNGRAOHIU-LJQANCHMSA-N 374.484 5.843 0 40 FKAB Cc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 7537898 JFJLBMXVOXIARA-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Cl)o2)cc1C 8726618 LQEOQDQILCPXQC-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB O=C1C[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)c2sccc2N1 12428710 OBLUJBZKEUFJEB-KRWDZBQOSA-N 369.873 5.455 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3F)ccc2c1 12864833 VBANLTKSTSHBNA-ZIAGYGMSSA-N 369.411 5.108 0 40 FKAB O=C(Nc1cccc2ccccc12)N(Cc1ccccc1)c1ccccc1 16479670 YUAYJQDVYNGRIF-UHFFFAOYSA-N 352.437 6.079 0 40 FKAB Cc1ccc([C@@H](C)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 17319592 OGQWQIYAMYCRBZ-LJQANCHMSA-N 371.484 5.351 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(C)C)cc1 20042406 LCFYUSPZKJCSKC-GOSISDBHSA-N 363.910 5.637 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 20455026 BDLNKYCBFVURGJ-YWZLYKJASA-N 357.469 5.158 0 40 FKAB Cc1cc(C)cc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22245764 MVSUEJJQKGVMSA-UHFFFAOYSA-N 355.438 5.203 0 40 FKAB CCCCc1ccc2nc(NC(=O)COc3ccc(CC)cc3)sc2c1 32118943 OOHFJCKDVGPCTG-UHFFFAOYSA-N 368.502 5.219 0 40 FKAB COc1ccc(C(=O)N(C)[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 32593871 HFIHNFAZPHEXFI-HSZRJFAPSA-N 370.452 5.038 0 40 FKAB CCOc1cccc(/C=C(/Cl)c2nc(O)c3cc(Cl)ccc3n2)c1 40139810 DSOYUDNEJRMFJH-OQLLNIDSSA-N 361.228 5.124 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 40995215 GDXSWDPTAUBRIS-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB CCCCn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 67259691 YBOYZYZQXJNBET-UHFFFAOYSA-N 352.503 5.106 0 40 FKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CCC[C@@]4(C)[C@@H]3CC[C@@]21C 71775098 VOYKELMCSUDIBK-NLPVQUKCSA-N 368.649 8.050 0 40 FKAB CCc1cc(N)cc2nc(-c3cccc4c(Br)cccc34)oc12 73642683 DRRZCUOQPNQLRV-UHFFFAOYSA-N 367.246 5.555 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 78458093 RLVZGAWXKJFESH-IRXDYDNUSA-N 353.506 5.191 0 40 FKAB O=C(NCCc1cccc2ccccc12)N1CCCCC[C@H]1c1ccncc1 84598405 JOSJPVUJMDYMKQ-QHCPKHFHSA-N 373.500 5.104 0 40 FKAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nc2ccsc2s1 84636326 JZPMEIJRUXRWNK-GFCCVEGCSA-N 357.504 5.190 0 40 FKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OC 106970848 IQIJLBCGPQIFGI-UHFFFAOYSA-N 360.668 5.666 0 40 FKAB CC(C)Oc1cccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)c1 113941175 DTHZWDLSLGYXSD-UHFFFAOYSA-N 359.425 5.303 0 40 FKAB O=C(CSCc1ccccc1Cl)NCc1ccc2ccccc2c1 222748684 NTHIJTGATXJBPR-UHFFFAOYSA-N 355.890 5.043 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 222891400 NBQSBKIQOTXLMC-JTSKRJEESA-N 367.533 5.581 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222996289 CLPSOAZZMLOGCG-UZUQRXQVSA-N 365.517 5.163 0 40 FKAB CSc1ccccc1NC(=O)c1cc2cc3ccccc3nc2s1 223133539 SKSDXLYRTKWJCQ-UHFFFAOYSA-N 350.468 5.424 0 40 FKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c3c(cccc13)CC2 225199414 KGYVFHKMCWCNAY-MRXNPFEDSA-N 371.480 5.223 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(F)c1)c1ccccc1 225504606 FSVVKDQCXNFEEJ-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1snnc1-c1ccccc1 225760812 NANILPWBXJOWGM-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB Cc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 225774397 LATLVWZGZZKDJQ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c2ccccc12)C1CC1 225859005 YJSLKGOUOLACFM-QFIPXVFZSA-N 355.478 5.161 0 40 FKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 248162207 HPZOHGFNBBOZSE-XSIBGMEISA-N 371.571 5.386 0 40 FKAB CC(C)(C)SCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408921170 UGCFAXBPXCTCLL-OBGWFSINSA-N 373.949 5.529 0 40 FKAB O=C(Sc1nc2cc3ccccc3cc2[nH]1)c1ccc2ccccc2c1 409393718 ZGSZOUBCSZLZAS-UHFFFAOYSA-N 354.434 5.802 0 40 FKAB O=C(NCc1cc(-c2ccsc2)cs1)c1c(F)cccc1Cl 1775969829 MYJLZYRHXWOZOO-UHFFFAOYSA-N 351.855 5.199 0 40 FKAB Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c(C)c1 1327000 UGZYYVZZHDZOND-UHFFFAOYSA-N 365.502 5.021 0 40 FKAB COc1ccc(-c2oc(-c3c(C)c(C)cc(C)c3C)c3ccccc23)cc1 1626839 MCXLCGUCUDPBEB-UHFFFAOYSA-N 356.465 7.009 0 40 FKAB Cc1cc(OC(=O)Nc2cc(Cl)ccc2C)c(C(C)C)cc1Cl 1752977 KIVHFFZOZDZOAL-UHFFFAOYSA-N 352.261 6.345 0 40 FKAB Cc1ccc(OC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1 2061869 ULXMLEUXPYIORS-NSHDSACASA-N 373.663 5.637 0 40 FKAB C[C@H]1CCCC[C@@H]1NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2 2073052 FTCPIVITLHZQEE-KKSFZXQISA-N 370.496 5.309 0 40 FKAB Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc4ccccc24)S3)c1 2696527 IWBDHQMFHHTLHA-IBGZPJMESA-N 371.465 5.284 0 40 FKAB FC(F)Oc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1 2803539 TUIKMYAUNOAAHP-UHFFFAOYSA-N 356.250 5.024 0 40 FKAB CCC(=O)c1ccc(OC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 3352577 MPQDSVIOEQZDIN-UHFFFAOYSA-N 364.441 5.605 0 40 FKAB Cc1ccccc1OCc1nn2cc(-c3ccccc3)c3c2n1CCCC3 3394774 NFWWSVBJKBFZNF-UHFFFAOYSA-N 357.457 5.027 0 40 FKAB Cc1nc2c(cc(Oc3ncc(Cl)cc3Cl)c3ccsc32)s1 3433882 MPDLGYHFNCEZMD-UHFFFAOYSA-N 367.282 6.314 0 40 FKAB COc1ccc(CNCC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1 4073653 ZHEVIZJQOHGJNM-PKTZIBPZSA-N 361.570 5.433 0 40 FKAB biogenic CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](SC(C)=O)CC[C@H]12 4758883 RVOGPLZAOZWWPL-OQEHDIDLSA-N 372.530 5.116 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4ccccc4C)c23)cc1 5072423 ITGBPCFQUCCTIW-UHFFFAOYSA-N 362.523 6.267 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 5274750 PTOPAWVETZHSNI-ANRSDYALSA-N 367.301 5.034 0 40 FKAB Clc1ccc(OCc2cccc(-c3nc4ccccc4s3)c2)cc1 6943065 TUFKMCNJWSSNDY-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB COc1ccccc1CNc1ncnc2scc(-c3ccc(C)cc3)c12 7973471 MPRVFQJWXDXITJ-UHFFFAOYSA-N 361.470 5.287 0 40 FKAB CCOc1cc(CNC2CCCCCC2)cc(Br)c1OCC 8253813 ZKNGULJBEGUQGR-UHFFFAOYSA-N 370.331 5.059 0 40 FKAB CCCCCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120357 WIFGEKHKHAXRFL-UHFFFAOYSA-N 350.462 5.308 0 40 FKAB Clc1ccccc1CNCc1ccc(OCc2ccccc2)c(Cl)c1 10474117 KHBSUQDEEKNOIX-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccccc2)o1 14427093 QUMMELGADJOXCD-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB Cc1cc(-c2nnc(SCc3cccc4ccccc34)n2C)cs1 17072974 WFHOUYFTVMCIMV-UHFFFAOYSA-N 351.500 5.298 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(C)cc1 20458169 XTCHFUBOADREDX-QHCPKHFHSA-N 361.485 5.055 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCCCCC2)cc1 38853498 RXADHZOWGNRLSI-UHFFFAOYSA-N 360.860 5.107 0 40 FKAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 44914945 NUDOMGHODUGNDE-UHFFFAOYSA-N 367.452 5.159 0 40 FKAB Cc1cccc2sc(-c3cccc4c(Br)cccc34)nc12 45946809 JBBKBCTWWXOUSX-UHFFFAOYSA-N 354.272 6.187 0 40 FKAB O=C(NCC1(c2ccccc2)CCC1)c1c[nH]cc1-c1ccc(Cl)s1 65554691 HSFQOXYSNJGCDG-UHFFFAOYSA-N 370.905 5.248 0 40 FKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c(F)c1 67297451 JWXGFQDVKMLPKC-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB FC(F)(F)CCCCCCCCCCCCCCCCC(F)(F)F 169795199 LHTRNLWYVFUZLR-UHFFFAOYSA-N 362.442 8.353 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616225 DKMUQQQFXYXQPZ-GOSISDBHSA-N 363.542 5.588 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1C 225716538 AYZDSWFGDHMSIU-HXUWFJFHSA-N 356.535 5.528 0 40 FKAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225810052 AFILLIUTHWBTOV-HXOBKFHXSA-N 369.505 5.553 0 40 FKAB CCOc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225862513 RQIRXQTYGXRIDB-UHFFFAOYSA-N 368.546 5.317 0 40 FKAB CCCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(C)cc1 408562236 OGZILLJBBZKKAW-MRCUWXFGSA-N 370.543 5.300 0 40 FKAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1CCc1ccccc1 409006458 JQFMDKNEDPPTJE-HKWRFOASSA-N 359.450 5.119 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)c(C)c1 409109265 AREOIRDVOWJKEH-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCOC(=O)c1cnc2ccccc2c1Nc1cccc(Cl)c1Cl 940223 MWSWGQPGOJMPMJ-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(F)c(F)cc1Cl 1049836 BQLAPLJKHHHQHK-UHFFFAOYSA-N 374.612 5.250 0 40 FKAB Cc1[nH]c2ccc(-c3nnc(SCc4ccccc4F)o3)cc2c1C 1223301 NXYDUYIKEWXQNM-UHFFFAOYSA-N 353.422 5.266 0 40 FKAB O=C(C[C@H](Sc1ccccc1)c1ccc(Cl)cc1)c1cccs1 1463122 QETRDXKHERGDKY-IBGZPJMESA-N 358.915 6.508 0 40 FKAB Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(C=O)c2O)c1O 1679825 IPEUTWIZNUODQD-UHFFFAOYSA-N 354.490 5.405 0 40 FKAB CCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(Cl)cccc12 2079646 JKGONMBUWDEKDP-UHFFFAOYSA-N 369.848 5.521 0 40 FKAB CC(C)CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 2369436 JTIDRBGCSBOQBU-UHFFFAOYSA-N 370.543 5.616 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 3214199 WSNXXFDUENFHPS-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc2ccccc2c1 4079073 WQRCTJMXCDKABI-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB O=C(c1cccs1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 4318357 MBIDDUUZOZSLPT-QRFRQXIXSA-N 359.922 5.503 0 40 FKAB CCN(CC)CCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 4699216 NGXNAGHFDSKXPZ-GDAWTGGTSA-N 362.561 5.447 0 40 FKAB CCCCOc1ccc(-c2nnc(SCc3ccccc3C)n2C)cc1 13325574 UUVWJBQMQUGVNW-UHFFFAOYSA-N 367.518 5.262 0 40 FKAB COCCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 13774012 KOBBCYLXLMJDBO-VZCXRCSSSA-N 358.894 5.139 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C)c3C)o2)cc1Cl 17075166 HAMXCFPUTDPDSX-ZRDIBKRKSA-N 365.860 6.177 0 40 FKAB Cc1cccc(C)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 19295166 OIEGIHYYMPNOSU-UHFFFAOYSA-N 356.878 5.262 0 40 FKAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cccc(Cl)c1Cl 20018171 BQXQFGDCKPULHI-QGZVFWFLSA-N 362.281 5.574 0 40 FKAB FC(F)(F)c1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)nc1 29391011 UYLLJRUAHSCTKU-UHFFFAOYSA-N 371.771 5.096 0 40 FKAB CN(Cc1ccsc1)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 35400256 ATYBVWIFXJCLQM-NRFANRHFSA-N 360.482 5.285 0 40 FKAB Clc1ccc2oc(/C=C/c3ccccc3OCc3cccnc3)nc2c1 58381571 MABLRQAYSWZNSX-JXMROGBWSA-N 362.816 5.626 0 40 FKAB Cc1ccc(F)cc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 71761612 IGEZJGMLFYVYNG-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215508 UQWHCCRHGDIBTJ-IBGZPJMESA-N 373.541 5.313 0 40 FKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccco1 102615375 MUBVXISYJOHYCQ-NRFANRHFSA-N 364.445 5.482 0 40 FKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccco1 102626008 HDAOXXNADPRZJB-HXUWFJFHSA-N 350.418 5.092 0 40 FKAB CC1(C)[C@@]2(c3ccccc3)[C@H]3CC(Br)=C[C@@H]3[C@]12c1ccccc1 104280670 ZCUSLGXRRGHAJZ-SEIRJHJZSA-N 365.314 5.831 0 40 FKAB CCCO[C@@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 118914929 XXOMRYJCPZNLCW-FHEJEKGWSA-N 374.565 5.488 0 40 FKAB biogenic COc1cc(C)c([C@@H](C)NC(=O)CSc2ccc(C)cc2)cc1C(C)C 223266846 FIBLDNZZBGFCJO-QGZVFWFLSA-N 371.546 5.405 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(-c2ccccc2)on1 224064875 PYYOGKRMDYBGPA-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 224940046 KUUHGVSQNQYXHJ-UHFFFAOYSA-N 368.546 5.166 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1 225333813 ODFQKENYNNFCNU-CQSZACIVSA-N 350.289 5.064 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225736630 CUVCEYWJBGQSDC-GCJKJVERSA-N 363.542 5.651 0 40 FKAB CCc1ccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)cc1 225850284 YUAFRTUVNHBASV-UHFFFAOYSA-N 354.519 5.014 0 40 FKAB Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1-c1ccc(C(=O)O)o1 226355854 QBTNWSFCYNJKEF-UHFFFAOYSA-N 363.413 5.329 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)c1 995129 FDFIAMAVOOLPLP-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 1261997 QSSADXKZILCNHD-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CCCN(C(=O)c1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356418 CYFBDLUDGWXRFY-UHFFFAOYSA-N 369.490 5.152 0 40 FKAB Brc1ccc(CSc2ccc(Br)cc2)cc1 2123931 ONXXYZLRCZUDSJ-UHFFFAOYSA-N 358.098 5.504 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3nc(SCCC(C)C)sc3c2)cc1 2378978 ODYMZRLWPLUESG-UHFFFAOYSA-N 370.543 5.995 0 40 FKAB Cc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1 2742286 OGLSNKMOSIAEOC-SFHVURJKSA-N 366.464 5.701 0 40 FKAB O=C(Nc1ccc(-c2ccccc2)cc1)c1sc2ccccc2c1Cl 3106987 GLHNRRUDFJUQBU-UHFFFAOYSA-N 363.869 6.474 0 40 FKAB COc1ccc2c(c1)CC1(CCC(c3ccc(C(C)(C)C)cc3)CC1)C2=O 3851691 FZPSSPGJJLWUQF-UHFFFAOYSA-N 362.513 6.076 0 40 FKAB biogenic O=C(c1ccccc1)[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4053070 IKZMLJRPGOEGAR-YADHBBJMSA-N 361.872 5.443 0 40 FKAB aggregator CC(C)c1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 4280481 HBCKFPHXVUCAMA-LOSJGSFVSA-N 372.464 5.712 0 40 FKAB Cc1cccc(NC(=O)c2cccc(NC(=O)CCC3CCCC3)c2)c1 4659808 MOQAJRUWDMFXBO-UHFFFAOYSA-N 350.462 5.156 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cn3ccc4ccccc43)ccc21 4676137 VRGWFIYGMLOBJE-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CCCOc1ccc(-c2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1 4860376 GYEXFBKCMOGHHV-UHFFFAOYSA-N 373.431 5.968 0 40 FKAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 5034757 HHDQNGOPMAAIBG-UHFFFAOYSA-N 368.893 5.471 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 5034780 UFYIFDHLBBFTOI-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 5863317 ODDZHZHTWDPKDV-UHFFFAOYSA-N 353.874 5.738 0 40 FKAB Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 6590076 RMSRNNIVFLVVCY-IRXDYDNUSA-N 350.487 5.517 0 40 FKAB CCOc1ccc(-c2onc(C)c2-c2ccc(Br)cc2)c(O)c1 6719468 RDVOUMMHRSPPOT-UHFFFAOYSA-N 374.234 5.184 0 40 FKAB biogenic CC(C)(C)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 6882483 ZFRHTGUVKPKMGS-UHFFFAOYSA-N 353.893 5.960 0 40 FKAB Cc1ccc([C@H](NCc2coc(-c3cccs3)n2)c2ccccc2)cc1 7542003 VWCMWKUNCFDBMY-OAQYLSRUSA-N 360.482 5.591 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCCc2ccccc21 8126702 KWJRQOOZJRWYEU-OAQYLSRUSA-N 350.506 5.066 0 40 FKAB Clc1ccc(COc2cccc(CNCc3cccnc3)c2)c(Cl)c1 8418415 FTCMQDRTDPJLPK-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB O=C(CCCc1cccs1)Nc1nc(-c2c[nH]c3ccccc23)cs1 9722972 CHXYSGBICPDVPY-UHFFFAOYSA-N 367.499 5.314 0 40 FKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc2)cs1 12563288 GIGFLPANFQVJBL-GFCCVEGCSA-N 371.893 5.211 0 40 FKAB Cc1ccc(C)c(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c1 12744168 BPJWAEDWOIXNEO-UHFFFAOYSA-N 361.847 6.978 0 40 FKAB O=C(/C=C/c1cccc2cccnc12)OCc1ccc(Cl)c(Cl)c1 12823040 IELDAPAZIGLOJP-VQHVLOKHSA-N 358.224 5.298 0 40 FKAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 13154131 MUZUZXBNNZQLPH-PFNKYVCDSA-N 358.696 5.135 0 40 FKAB CCCN(Cc1ccccc1)C(=S)Nc1ccc(SC(F)F)cc1 13636513 FPIKUQZNKFCULG-UHFFFAOYSA-N 366.502 5.610 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 14022391 OFRPOJMTQSJNKT-JOCHJYFZSA-N 361.441 5.583 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(F)cc1F 16383758 KIYAGUFHQSPWHI-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB COc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 20484392 JOXOSNPKKOMXQK-SECBINFHSA-N 374.651 5.061 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)c(Cl)c1 21577796 SVHDRJJGHFSBQP-UHFFFAOYSA-N 367.251 5.375 0 40 FKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1 39795142 IXAYBOFHCZDZNZ-UYRXBGFRSA-N 361.422 5.183 0 40 FKAB COc1ccc(-c2cnc(SC(C)C)n2-c2ccc(Cl)cc2)cc1 44087509 SURDJSRWKLZQGC-UHFFFAOYSA-N 358.894 5.702 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 44848012 QJRSSXMJIYECOJ-UTKZUKDTSA-N 371.546 5.388 0 40 FKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 44883136 XBPWGWWLLCKWSI-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB Cc1occc1CN(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 58062729 QGKKDUGHNRYIRB-HXUWFJFHSA-N 351.471 5.080 0 40 FKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](CC(C)C)C3=C(O)C2)cc1 102741155 XPHGYKBWPQGWFU-RDJZCZTQSA-N 366.461 5.597 0 40 FKAB C1=N\CCCCCCC/N=C\c2ccccc2NCCNc2ccccc2/1 104206018 PRILACDJQKZFKE-GJEUYDLNSA-N 362.521 5.013 0 40 FKAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118930411 GIYJTJPCTWLLOH-QGZPSTLZSA-N 360.538 5.166 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 216243761 PGLFVDYDOUQMBA-SFHVURJKSA-N 361.510 5.778 0 40 FKAB CCOC(=O)/C=C/c1ccc(OC)c(OCc2cccc3ccccc23)c1 216897657 POWARYAVTNIEOJ-WYMLVPIESA-N 362.425 5.004 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225256224 WRBSVOUDSXKDGK-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225262446 WMYVYCVIUCVHMK-UHFFFAOYSA-N 371.440 5.189 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 225719402 FHZDLKHXZCQKCN-CYBMUJFWSA-N 365.901 5.152 0 40 FKAB CCOc1ccccc1NC(=S)N[C@@H](c1ccc(C)cc1C)C(C)C 225763708 BAFXKFOSHSLQKW-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(N)c1 226348353 CNXWRPRLPSCKLF-UHFFFAOYSA-N 370.836 5.142 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1cccc(OCc2ccccc2)c1 851912 QFXUXZNPWSMJEI-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccc(F)cc2s1 1421285 UNIYENPRBRONJI-UHFFFAOYSA-N 371.220 5.003 0 40 FKAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 1735767 FBKXMUJLHIWBRY-AWEZNQCLSA-N 370.279 6.151 0 40 FKAB in-vitro CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2)cc(C(C)(C)C)c1O 1869157 XZJFOYCEAFGPNS-UHFFFAOYSA-N 374.912 6.285 0 40 FKAB O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 2079582 GEJQYMZIMCLBIG-UHFFFAOYSA-N 373.839 5.912 0 40 FKAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccccc2)n1 2422535 IIYNIRXOJOHNTG-UHFFFAOYSA-N 363.804 5.128 0 40 FKAB C[C@@H]1CCc2c(sc3ncnc(SCc4ccc(Cl)cc4)c23)C1 2679476 YTTFMFMKDIOUFH-LLVKDONJSA-N 360.935 5.762 0 40 FKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2nc3c(s2)CCCC3)cc1 3456125 DNTTUDRSDPOOMT-UHFFFAOYSA-N 372.534 5.117 0 40 FKAB N=C(CCCCCCCCC(=N)NC1CCCCC1)NC1CCCCC1 4429325 BVFSCMRDWCKNTB-UHFFFAOYSA-N 362.606 5.906 0 40 FKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 5681264 QUUYESKGEOQVTG-KYIXNBJTSA-N 372.424 5.309 0 40 FKAB COc1ccc(OC)c(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1 6267744 CRNAMHVMMSPYPB-UHFFFAOYSA-N 371.440 5.366 0 40 FKAB CCCCC1=N[C@H]2Sc3c(ncnc3N(C)CCCC)[C@@H]2C2=C1CCC2 6309813 QVLYVYZUDQHCAQ-UWJYYQICSA-N 370.566 5.354 0 40 FKAB CCCOc1ccc(/C=C/c2nc3ccccc3s2)c(OCCC)c1 6891082 RWLNAMMKLAYGPC-ZRDIBKRKSA-N 353.487 6.044 0 40 FKAB Cc1cc(OC(=O)Cc2csc(-c3cccs3)n2)ccc1C(C)C 7990913 RXYGGBWZMOGPAC-UHFFFAOYSA-N 357.500 5.452 0 40 FKAB Clc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)c(Cl)c1 8436458 ZSJPVYMZHRUHGA-LJQANCHMSA-N 374.292 6.944 0 40 FKAB CC(C)[C@H](NC(=O)c1cc2c(F)cccc2s1)c1nc2ccccc2[nH]1 9466923 MJBANQLRUSEICE-SFHVURJKSA-N 367.449 5.044 0 40 FKAB Cc1ccccc1-c1noc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)n1 9638093 MAVFXSABXZRXIE-UHFFFAOYSA-N 352.397 5.255 0 40 FKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 12579901 IWNDSYPUEIWAAI-IRLDBZIGSA-N 360.844 5.582 0 40 FKAB Cc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1C 12897992 LRVKZGVXNDKNAI-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB COC(=O)CCCCCCCCCCCCCCCCCCCCCO 14449067 NVNDMNDHEBYPQC-UHFFFAOYSA-N 370.618 6.954 0 40 FKAB biogenic Cc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)c(C)c1 20047908 BNMMRPJVCPZCMN-AWEZNQCLSA-N 365.901 5.207 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)c1ccccn1 27664449 SGKWRNMRLHMHAI-UHFFFAOYSA-N 374.484 5.451 0 40 FKAB COc1ccccc1C(=O)N(Cc1cccs1)c1ccc(C)c(Cl)c1 27740346 QLWBDYGRHFMETR-UHFFFAOYSA-N 371.889 5.566 0 40 FKAB Cc1cccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 28289593 OFILISDFUXBYGO-UHFFFAOYSA-N 354.812 5.030 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(Cl)cc1Cl 30757946 GMVQQEIMTQBMPD-SFHVURJKSA-N 366.288 5.084 0 40 FKAB c1ccc(-c2ccccc2OCOc2ccccc2-c2ccccc2)cc1 32147635 CVTZOGSKBHYCKX-UHFFFAOYSA-N 352.433 6.436 0 40 FKAB Clc1ccc(OCCCn2c(-c3ccco3)nc3ccccc32)cc1 40239040 RRYXDLVTBDFQJN-UHFFFAOYSA-N 352.821 5.419 0 40 FKAB COc1cc(C)c(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1C(C)C 57710026 PDNACPUMLAZOJT-UHFFFAOYSA-N 364.489 5.197 0 40 FKAB CCC[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 58113821 WSRHXLHLASHNPY-GOSISDBHSA-N 373.500 5.339 0 40 FKAB COc1cccc(Oc2ccc(NC(=S)NC3CCCCC3)cc2)c1 60512653 BHYMSFSDFBZECC-UHFFFAOYSA-N 356.491 5.107 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2cccnc12 61114690 YAODEAFXFQJGPT-UHFFFAOYSA-N 351.620 5.447 0 40 FKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1c(F)cccc1F 71959720 JBBZJXSPLNNXTD-JTQLQIEISA-N 357.385 5.349 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217638 IWMBIOAQDQRXJL-NRFANRHFSA-N 374.509 5.600 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C 216250584 PJWNPLVMAGAQEI-IBGZPJMESA-N 353.849 5.598 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C 223453050 HEFMKPQXDHNLGQ-FQEVSTJZSA-N 373.496 5.682 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1ccc(Cl)cc1 225771854 ATORWKSMYAJOCH-UHFFFAOYSA-N 371.893 5.236 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225803382 IODULDLISRFZLL-JOCHJYFZSA-N 357.494 5.551 0 40 FKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1 225809859 FQUIPCHMVPXMCQ-UHFFFAOYSA-N 362.901 5.278 0 40 FKAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC(C)CC1 225811491 JUFZXVSMSABNBO-UHFFFAOYSA-N 369.505 5.408 0 40 FKAB CC[C@@H](C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1 575360420 HFAPRZSBXPCELL-CYBMUJFWSA-N 360.297 6.101 0 40 FKAB Cc1ccc(C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1 1776002969 OKEPQLMLWRXTOH-UHFFFAOYSA-N 365.665 5.031 0 40 FKAB Cc1ccc(C)c(Nc2nc(C(F)(F)F)c(-c3ccccc3F)s2)c1 2058498 XCJKMISUFAEMJR-UHFFFAOYSA-N 366.383 6.328 0 40 FKAB Cc1ccc(-c2ccc3c4ccccc4c(C(=O)C(F)(F)F)c-3o2)cc1 2578033 MSZDKQKJGHLTIC-UHFFFAOYSA-N 354.327 6.258 0 40 FKAB ClC(Cl)(Cl)c1nc(-c2ccc(C3SCCS3)cc2)no1 2581911 UBZLZMSRGJGNNA-UHFFFAOYSA-N 367.710 5.042 0 40 FKAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)c1 2750572 QNLVBCOEVZCNJC-UHFFFAOYSA-N 366.486 5.414 0 40 FKAB CCc1sc(-c2cc3cc(Cl)ccc3oc2=O)nc1-c1ccccc1 2964195 ZBRIWFZHILJICF-UHFFFAOYSA-N 367.857 5.799 0 40 FKAB CCCN(CCC)P1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205459 KNNBERKMTHHYRH-UHFFFAOYSA-N 367.429 6.414 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2s1 3359810 QNOOODCUBHRMHD-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB Clc1cccc(C2=NNC(c3cccs3)=Nc3ccc(Cl)cc32)c1 4161665 DKQLTXKHQKYMDZ-UHFFFAOYSA-N 372.280 5.489 0 40 FKAB Oc1ccc(Cl)cc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 4164984 HTCSGJSJNDCKPE-UHFFFAOYSA-N 372.855 6.188 0 40 FKAB Cc1ccc(-n2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 4354812 RQJCCZSMNXCLGI-UHFFFAOYSA-N 364.301 5.483 0 40 FKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 4671771 FDFYIDPGADEJDC-VGOFRKELSA-N 364.489 5.096 0 40 FKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3CCO[C@]34CCCC[C@@H]24)cc1 4899207 CKZZOIDHUAISOG-ARNLJNQMSA-N 357.497 5.360 0 40 FKAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 4928761 BSQPXMKFUUFHOI-NRFANRHFSA-N 359.473 5.074 0 40 FKAB COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5665002 UTXOMXJWUQSFTL-UHFFFAOYSA-N 350.461 6.078 0 40 FKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccccc1 6961540 VPOFKXARVHVMJJ-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(Cl)cc1F 7404183 IVGZKRJCMZCJKS-UHFFFAOYSA-N 352.843 5.225 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3c3cccs3)o2)cc1 7779647 WTGDVFJZEOIWME-KRWDZBQOSA-N 365.454 5.188 0 40 FKAB Cc1ccc([C@H](NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1 7984403 CNKKUALOXYRRLC-XMMPIXPASA-N 353.469 5.060 0 40 FKAB Oc1nc(-c2ccccc2)nc(SCc2ccccc2)c1C(F)(F)F 9461604 XMCOBXDFCGWJRF-UHFFFAOYSA-N 362.376 5.160 0 40 FKAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)o1 9667297 ZCODLMDINGSORC-JOCHJYFZSA-N 356.425 5.123 0 40 FKAB Cc1ccc2cc(COC(=O)C[C@@H](C)c3ccccc3)c(Cl)nc2c1 15042325 IVXQCICPJUBWMZ-OAHLLOKOSA-N 353.849 5.434 0 40 FKAB Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(CO)o1 20139150 NQBUJTJZDJSDJQ-UHFFFAOYSA-N 357.409 5.153 0 40 FKAB CCOC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl 20456348 HWMVOFVKIPSRSJ-UHFFFAOYSA-N 359.853 5.067 0 40 FKAB Brc1ccc(OCc2ccccc2)c(CNC2CCCC2)c1 22074243 ABRBDHIDJOUABL-UHFFFAOYSA-N 360.295 5.060 0 40 FKAB Cc1oc(-c2cccs2)nc1CSc1nnc(C)n1C1CCCCC1 22375931 MDNCJOFZIDHWIG-UHFFFAOYSA-N 374.535 5.409 0 40 FKAB Cc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)c(C)c1 38651980 OCJOKIGUDZPNHK-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc(C)c1Cl 44946246 MWVQYTGWVZJVPU-AWEZNQCLSA-N 366.288 5.036 0 40 FKAB CC[C@H](Sc1nncn1CCc1cccs1)c1ccc(Cl)cc1 58065985 UCUJVLCTVVOJFR-INIZCTEOSA-N 363.939 5.479 0 40 FKAB CC(C)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C 72213044 YAKAAFFUJZISGS-SFHVURJKSA-N 361.530 5.167 0 40 FKAB Cc1cc2nc(Cc3ccc(Cl)cc3)oc2c(Br)c1C 73638782 UCQSTTJSXBORBG-UHFFFAOYSA-N 350.643 5.451 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 107079134 MDVCDYXXKUQJNF-MDKPJZGXSA-N 359.941 5.483 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1OC 216270618 UEEOXEOCSRSJCL-GOSISDBHSA-N 369.848 5.298 0 40 FKAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 216961624 NPOVVISISYZMAR-UHFFFAOYSA-N 369.420 5.030 0 40 FKAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 218958395 SIQFHVRZVGKQMP-UHFFFAOYSA-N 373.496 5.418 0 40 FKAB C[C@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)CCCC2 222958477 UTCZFAFFEKURLO-KRWDZBQOSA-N 353.531 5.066 0 40 FKAB O=C(NC1CCCCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 224892677 ZHAIBOJWVQYIES-UHFFFAOYSA-N 360.457 5.461 0 40 FKAB CCOc1ccc(Nc2nc3c(s2)CCc2cc(OC)c(C)cc2-3)cc1 408894123 JGGOIQXLKWNDQN-UHFFFAOYSA-N 366.486 5.368 0 40 FKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2=O 702849 KUXPJFCLABRXPP-IAGOWNOFSA-N 373.802 5.083 0 40 FKAB Clc1ccc(CSc2nnc(CNc3cccc(Cl)c3)o2)cc1 862997 OPUOQEYJBZDOGS-UHFFFAOYSA-N 366.273 5.281 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 953128 BMZFMMWFTQUVHW-GFCCVEGCSA-N 368.260 5.025 0 40 FKAB CSc1nc(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 2274485 FGUPTLDVOZUTFX-UHFFFAOYSA-N 358.510 5.900 0 40 FKAB C[C@@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 2714072 GVXOTDVIGCWGGU-GOSISDBHSA-N 368.484 5.324 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 2738367 TWJJZBFWJPRXGT-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 3134696 ZBHSNQDGAVFNCQ-MRVPVSSYSA-N 363.166 5.149 0 40 FKAB FC(F)(F)[C@H]1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1 3405919 LSDOEGLUVPLPHX-ZDUSSCGKSA-N 363.408 5.137 0 40 FKAB CCOc1ccc2ccccc2c1/C=C/c1ccc2cccc(OC)c2n1 4178168 SNOCCOLSQWPEMZ-CCEZHUSRSA-N 355.437 5.966 0 40 FKAB CC(C)CN[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 4200594 NIUIUSQEYIIYEC-CWMLTSOLSA-N 351.471 5.228 0 40 FKAB CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCOC(=O)Nc1ccccc1 4673306 XEMYEKIWQRPWRD-DAVBRLECSA-N 373.537 5.619 0 40 FKAB biogenic CC(C)c1ccccc1N(C(=O)c1ccccc1Cl)C1=N[C@H](C)CS1 4979284 QOOOYLGILJVRHS-CQSZACIVSA-N 372.921 5.602 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 5197740 QMZIRHQBMZTFAO-UHFFFAOYSA-N 373.452 6.035 0 40 FKAB CCCCCCNC(=O)CCCCCCCCCCSCCCC 5297598 AMGBDLSNMXBSJY-UHFFFAOYSA-N 357.648 6.727 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 5383822 ZCUBUBVEFUGTKA-FMIVXFBMSA-N 358.279 5.399 0 40 FKAB COc1ccc([C@]2(c3ccccc3)OC(=O)c3ccccc32)c2ccccc12 5639867 AFFBRYNGQPKUPK-RUZDIDTESA-N 366.416 5.311 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(O)c2)N3)C1 5838950 KLPBWGQWYSJOKJ-YVEFUNNKSA-N 356.491 5.034 0 40 FKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2CCC2)c1 6220990 COIYCWKRTAFYKO-UHFFFAOYSA-N 365.351 5.245 0 40 FKAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 6276934 RJXHYMQLOMDUGA-UHFFFAOYSA-N 354.862 5.941 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 6288855 URPBYEWCXKUBSN-UHFFFAOYSA-N 369.557 5.313 0 40 FKAB O=C(NC1CCCCCCC1)c1cc(Cl)ccc1OCc1ccccc1 7687430 APMKUMXVUGVBTE-UHFFFAOYSA-N 371.908 5.762 0 40 FKAB Clc1ccc(OCc2ccccc2)c(-c2nc(-c3ccccn3)no2)c1 7699418 HNFLJVOHFILCHE-UHFFFAOYSA-N 363.804 5.031 0 40 FKAB Cc1ccc2c(NC(=O)c3sc4ccccc4c3Cl)cccc2n1 8071898 HARWQUKCHXSLED-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2c1 8288782 RCEGFLIICLWUTF-UHFFFAOYSA-N 357.862 5.233 0 40 FKAB CC[C@@H](C)NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 8325954 MPEKRCSYHORPQM-CYBMUJFWSA-N 368.304 5.469 0 40 FKAB CCCCN(CCCC)Cc1c(C)nc2ccc(OCC(C)C)cc2c1O 8717493 PNVFCQTTYMLKSJ-UHFFFAOYSA-N 372.553 5.686 0 40 FKAB CCCCN1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 8916198 ZHERBKSTHCIPMD-HSZRJFAPSA-N 356.469 5.779 0 40 FKAB CC(C)Oc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 10156241 CIPAJPUUYXRLQX-UHFFFAOYSA-N 361.441 5.305 0 40 FKAB Cc1ccc(C)c(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)c1 10700135 OWZMEPKCHMQMLS-UHFFFAOYSA-N 367.499 5.012 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13994800 SBCCFHXIWVSADA-HNNXBMFYSA-N 372.679 5.751 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccccc3)ccc12 16993271 WIVJTDICOQAYNX-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB biogenic COc1cccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)c1 20603088 ALAXAZBFJGIBCS-UHFFFAOYSA-N 369.346 5.173 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312093 HKUYCUKJLRUXLX-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB CC(C)OC(=S)SCC(=O)Nc1c(C(C)C)cccc1C(C)C 48331656 ZHHQLWCNCSHRSC-UHFFFAOYSA-N 353.553 5.315 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2c1CCCC2 50012189 IRWBCTUPYJMKND-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CCN(CC)C(=O)[C@H](Sc1nc2cc(Cl)ccc2o1)c1ccccc1 57849273 MGXCVZAWKMAPMO-QGZVFWFLSA-N 374.893 5.183 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 58378165 SQEHLMKFKZQHMK-SJCJKPOMSA-N 368.864 5.185 0 40 FKAB C[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)c2cc(C(F)(F)F)ccc2S1 60774184 PVHBZTJRCCPDJR-CHWSQXEVSA-N 355.425 5.279 0 40 FKAB Clc1ccccc1-c1noc(Cc2nc(-c3cccs3)cs2)n1 67246089 BFCJPPCIJJCWSG-UHFFFAOYSA-N 359.863 5.166 0 40 FKAB c1ccc([C@@H]2[C@@H]3c4ccccc4[C@@H]([C@H]2c2ccccc2)[n+]2ccccc23)cc1 104220062 YLYPZHKIBGEMTF-NFGXINMFSA-N 360.480 5.590 0 40 FKAB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222949047 QXMLKKJXVQLABU-INIZCTEOSA-N 371.908 5.255 0 40 FKAB Cc1ccc2oc(CCCC(=O)Nc3ccc4c5c(cccc35)CC4)nc2c1 224950678 VAPQNEDLEZEQKZ-UHFFFAOYSA-N 370.452 5.349 0 40 FKAB CCNc1cc(C)c2oc(-c3ccc(OC)c(Br)c3)nc2c1 226283673 FMDGOTDXXYTJDB-UHFFFAOYSA-N 361.239 5.006 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 409090332 OZDVJDOCCRCDFV-STZFKDTASA-N 368.461 5.920 0 40 FKAB CC(C)Cn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 409097991 JTDXCZJKQBYLTL-UHFFFAOYSA-N 357.910 5.547 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 409113596 HTCJCOSMWNTQTD-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(C)c1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc23)s1 585098453 UMBAWUQRSUONPM-UHFFFAOYSA-N 369.824 5.380 0 40 FKAB C[n+]1c(/C=C/C=C2c3ccccc3Oc3ccccc32)sc2ccccc21 685944433 LIACYJQMOSFICH-LZYBPNLTSA-N 368.481 5.977 0 40 FKAB Fc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3ccccc3)[C@@H]1CO2 990172 FOPDPYXTMDLFGK-VGOFRKELSA-N 361.441 5.802 0 40 FKAB Cc1cccc(-n2sc3c(c2=S)-c2cccc(C)c2NC3(C)C)c1C 2286054 NTOUHNNFAWFGSS-UHFFFAOYSA-N 366.555 6.521 0 40 FKAB Cc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 5246443 JGAYPKGOGKEOIW-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCCCC2)c1 6123049 RZDNWRHZAKMSPH-UHFFFAOYSA-N 366.505 5.126 0 40 FKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)c1 6241145 KAIUSLMCWBCBQD-OAHLLOKOSA-N 370.518 5.116 0 40 FKAB CCCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccc(C)cc2)cs1 6826556 NXUYAEOAVMXPOZ-UHFFFAOYSA-N 350.487 5.484 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 6994171 IUQDBPHPTCQPQG-UHFFFAOYSA-N 358.463 5.232 0 40 FKAB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccccc1F 8216725 YXODRUNEHMYNFM-UHFFFAOYSA-N 363.417 5.106 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10119994 ZKRZOBGVHYQHSH-UHFFFAOYSA-N 370.452 5.794 0 40 FKAB CCOc1ccccc1-c1noc(CNc2ccccc2-c2ccccc2)n1 10185954 ISFWHUOWZWSPRO-UHFFFAOYSA-N 371.440 5.414 0 40 FKAB O=C(Cc1cccc(F)c1)Nc1cccc(OCCCc2ccccc2)c1 12137879 XFFCTMKFUXRHCI-UHFFFAOYSA-N 363.432 5.019 0 40 FKAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13774810 UAKFUGIBJSPFPM-AWEZNQCLSA-N 372.534 5.049 0 40 FKAB FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3cccc(Cl)c3)cnn12 13844708 NWXFVVLWAYIFNZ-UHFFFAOYSA-N 373.765 5.736 0 40 FKAB CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 16913957 DFESBWCVOQPFNC-UHFFFAOYSA-N 373.481 5.282 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1C 20459374 OVDFMTPYYJJSCP-FQEVSTJZSA-N 353.849 5.598 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)CCc1ccccc1 20494349 UUUMTEFDDDQQFX-PGRDOPGGSA-N 361.485 5.135 0 40 FKAB Clc1ccccc1Cn1cc(CNCc2cccs2)c2ccccc21 28428050 WTSSNIXLLQXDAT-UHFFFAOYSA-N 366.917 5.694 0 40 FKAB Cc1cccc(/C=C(/C(=O)N(C)Cc2ccsc2)c2cccs2)c1 32894995 MQTILJKWRSLLKK-LDADJPATSA-N 353.512 5.317 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)cc1 40216929 SGJMNESTNKHLQN-UHFFFAOYSA-N 372.472 5.464 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 44836812 QSASVPVXZXZZDI-UHFFFAOYSA-N 366.288 5.120 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)c(C)c1 44856556 ZNJHKKRNQNQILX-HSZRJFAPSA-N 364.533 5.170 0 40 FKAB CCCCOC(=O)c1cccc(NC(=O)/C=C/c2cc3ccccc3o2)c1 67339322 YEQMHWLRRUCGBE-VAWYXSNFSA-N 363.413 5.042 0 40 FKAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccccc2)cc1 95469662 UECRAYWIOJLAMW-UHFFFAOYSA-N 362.816 5.012 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)cc(C)c1Cl 222781319 AAGHAEMPFHFCOR-INIZCTEOSA-N 367.876 5.194 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1C 224719719 QWXVIEKNKMOKAN-DENIHFKCSA-N 367.533 5.770 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1(c2ccccc2)CCOCC1 225149882 LKIDSFCZAUBVOT-UHFFFAOYSA-N 371.436 5.273 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C 225365475 SXTQYLMSWVNGMQ-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB CC(C)Oc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225545041 MLKKYCQVLVSWLE-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB COc1cc(C)c(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1C(C)C 225663429 SHRSKMNWZQVLMI-OAQYLSRUSA-N 353.506 5.644 0 40 FKAB O=C(c1cccc2ccccc12)N1CCS[C@H](c2ccccc2F)CC1 225740805 GHZMKFSLPBPOIN-NRFANRHFSA-N 365.473 5.299 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1 225841427 WWEPBAWIXPRIBA-UHFFFAOYSA-N 352.547 5.535 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 226334884 WKVIXJOKVBSFMP-ACCUITESSA-N 366.844 5.649 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cc4ccccc4o3)ccc21 408627497 NAYPUJFHORZPMF-UHFFFAOYSA-N 354.409 5.813 0 40 FKAB Cc1ccccc1NCc1c(OCc2cccc(F)c2)ccc2ccccc12 409112229 CAOZYJDBXYNZDX-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB CN(C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)C1CCCCC1 815132 LBHUUONYLWXQGL-UHFFFAOYSA-N 353.249 5.053 0 40 FKAB CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)c3cccs3)c2)OCC1(C)C 1080153 FVFSYBBDHHGEMH-MJGOQNOKSA-N 359.491 5.097 0 40 FKAB Cc1cc(C)c2cc(CN(C(=O)C3CC3)C3CCCC3)c(Cl)nc2c1 1367736 LGNPRJGSGWFRSH-UHFFFAOYSA-N 356.897 5.186 0 40 FKAB O=C(CCCc1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 1598723 SGVBLNYRFYXOHC-UHFFFAOYSA-N 358.437 5.102 0 40 FKAB c1ccc(N2CCN(c3ccccc3)C2c2ccc3ccccc3c2)cc1 2067902 GKJDTUKSWJUFSG-UHFFFAOYSA-N 350.465 5.865 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 2655383 JOAZWYBWJULMLZ-NRMKIYEFSA-N 371.864 5.049 0 40 FKAB Cc1c(Cl)ccc2sc(NC(=O)c3ccc4ncsc4c3)nc12 2723866 UCZWXKZUGNYQSJ-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB CC(C)c1ccccc1N(C(=O)c1cccnc1)c1nc2ccccc2s1 3315678 LSDHQBCXWBBAAS-UHFFFAOYSA-N 373.481 5.793 0 40 FKAB O=C(CSc1ccc(Cl)cc1)c1ccc2c(c1)-c1ccccc1C2 3362602 JEUHVWFAXXOORJ-UHFFFAOYSA-N 350.870 5.886 0 40 FKAB O=C(Nc1ccccc1Cl)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4852572 IZWQCYGTDFVOLL-JHUGZRMSSA-N 358.696 5.135 0 40 FKAB Cc1ccc(C)c(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 6844400 AGQYLQOMGUBGKY-PKNBQFBNSA-N 365.860 6.177 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8498585 DODGPBFAJASNGG-INIZCTEOSA-N 371.786 5.463 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1C 9064395 IBMOQIFSDGHQMO-UHFFFAOYSA-N 356.897 5.445 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 9190315 IMZXZJLGBYBWPG-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB Cc1ccc2oc(C(=O)N(Cc3ccc(F)cc3)c3ccccn3)c(C)c2c1 11914993 JYJXANFCAQBENN-UHFFFAOYSA-N 374.415 5.431 0 40 FKAB Cc1ccc(-c2nnc([C@H](C)Sc3cccc(C(F)(F)F)c3)o2)cc1 12861780 CEJUGNQNCSJHGQ-LBPRGKRZSA-N 364.392 5.917 0 40 FKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(Cl)cc1Cl 14159265 WFYBXJGRPBOZPF-UHFFFAOYSA-N 369.298 5.360 0 40 FKAB Cc1ccc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835498 XNUKXGYMUVSPEN-NRFANRHFSA-N 360.482 5.399 0 40 FKAB Fc1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2)cc1 16449733 VHBDXVCJXVLIJJ-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB FC(F)(F)c1ccc(Cl)c(-c2ccc(CNCc3ccccc3)o2)c1 20158571 BTQZGVMXWMLTHV-UHFFFAOYSA-N 365.782 5.909 0 40 FKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27716077 ACKIMFUPMAASSZ-LYWYBQTLSA-N 362.598 5.415 0 40 FKAB C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 32978353 UYRCQJNIQILAOL-INIZCTEOSA-N 365.860 5.410 0 40 FKAB Cc1cccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 33349916 XHWMUSQCKJMMHG-XDHOZWIPSA-N 366.486 5.224 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 44839357 YIZCWYKVEKUZJJ-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB COc1ccccc1CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl 83980331 HRKBJFFZXCAZIS-NRFANRHFSA-N 355.840 5.367 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222978486 ZKBPSCMKIKWNAW-VFNWGFHPSA-N 371.908 5.254 0 40 FKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COC(C)C 224721421 GWNBFDFFOIGRJI-UHFFFAOYSA-N 369.505 5.387 0 40 FKAB Fc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225609395 TTZIXGKYHWPETJ-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccccc1 408533293 QGOFZYLFDSIQFC-UHFFFAOYSA-N 352.393 5.030 0 40 FKAB CCc1ccc(NCc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409257507 SAJVWJFRBYUPCG-UHFFFAOYSA-N 374.484 5.187 0 40 FKAB Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)o1 671729 YGJIJXLQHFWDBX-UHFFFAOYSA-N 360.457 5.424 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1 936252 WMTQYUXLWBPXCD-ACCUITESSA-N 367.489 5.603 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C)cc3)sc2c1 1024870 GJBFCXQCSNXKBK-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB COc1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 2141201 CPIGGFIMYGNJDH-UHFFFAOYSA-N 364.514 6.610 0 40 FKAB CCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2339682 FKOJPQXVVRXGGZ-UHFFFAOYSA-N 374.513 5.241 0 40 FKAB O=C(CSC1CCCC1)NCCC(c1ccccc1)c1ccccc1 3398995 GVINRAJGQXMYIL-UHFFFAOYSA-N 353.531 5.001 0 40 FKAB Cc1cc2nc(-c3cccc(/N=C/c4ccc(Cl)cc4)c3)oc2cc1C 4357396 UCPAWOJBTBONFH-ZMOGYAJESA-N 360.844 6.516 0 40 FKAB CCN(CC)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 4503259 VIAKQEWCPHIJHF-UHFFFAOYSA-N 351.277 5.148 0 40 FKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4671769 FDFYIDPGADEJDC-JTSKRJEESA-N 364.489 5.096 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C(=O)c2ccccc2)cc1 5119316 LFCLKJDVWMPGFR-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(Cl)c1Cl 5128171 RDLNWLIGGWSKGR-UHFFFAOYSA-N 357.240 5.232 0 40 FKAB CCCOc1cccc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)c1 6263867 GMNDNACBGIEOTD-UHFFFAOYSA-N 374.868 5.120 0 40 FKAB COc1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(Cl)c2)cc1 6470103 PENNJHGZONIGTK-UHFFFAOYSA-N 370.836 5.176 0 40 FKAB CCOc1ccc(Nc2nc(-c3ccc(NC(=O)CC)cc3)cs2)cc1 6782833 UCGXQSMZSZJUAW-UHFFFAOYSA-N 367.474 5.301 0 40 FKAB CCOc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 6951338 MMFIFURORHSIJT-UHFFFAOYSA-N 366.464 6.228 0 40 FKAB CCOc1cc(CNC2CCCCCCC2)cc(Br)c1OC 7523466 ULHHZQQKBLATQI-UHFFFAOYSA-N 370.331 5.059 0 40 FKAB C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 7524361 BEDLAMJJTIHYOI-LRYXAPPNSA-N 353.481 5.780 0 40 FKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1C 7538115 KMLLLGBCICIJOT-UHFFFAOYSA-N 361.485 5.181 0 40 FKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7790891 VMXZNQQSLDFPKY-AWEZNQCLSA-N 360.486 5.615 0 40 FKAB Cc1ccc2cc3c(NC(=O)c4ccccc4C)nn(CC(C)C)c3nc2c1 9358247 OZQZVZSQDKJZDH-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB Cc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120295 MVWMNYKTNBJKIE-UHFFFAOYSA-N 370.452 5.350 0 40 FKAB CC(=O)N(C)Cc1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1 12975492 GHSONQPDAWUJCF-UHFFFAOYSA-N 350.487 5.072 0 40 FKAB Cc1ccc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c(C)c1 14075875 FHGKAFMUSPLPHV-UHFFFAOYSA-N 373.827 5.706 0 40 FKAB CC[C@H](C)c1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1 17076675 RIVVEWNIRXJYDF-AWEZNQCLSA-N 374.513 5.500 0 40 FKAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 20484389 JOXOSNPKKOMXQK-VIFPVBQESA-N 374.651 5.061 0 40 FKAB CCn1c2ccccc2c2cc(CN[C@@H](C)[C@H](O)c3ccccc3)ccc21 22076204 NAFBMJAIFIWATM-XDHUDOTRSA-N 358.485 5.026 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 22250674 HSPHVVYGQADOMA-UHFFFAOYSA-N 357.759 5.318 0 40 FKAB Cc1cccn2c(NC(=O)c3ccccc3Cl)c(-c3ccccc3)nc12 24592922 GBUAKVVZTHGHSQ-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB CSc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)cc1 32719084 LRFLFPURGWUGGI-UHFFFAOYSA-N 362.498 5.106 0 40 FKAB Cc1ccc(CNC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 41155095 CTZBFLZDFGLBGA-UHFFFAOYSA-N 358.466 5.202 0 40 FKAB CC[C@H](C(=O)NCc1sc(-c2ccccc2C)nc1C)c1ccccc1 96119218 XHJMBAFAOQVQGC-SFHVURJKSA-N 364.514 5.237 0 40 FKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(F)cc2)cc1 106974034 CRSQICXFNLYYJD-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)CCc1ccccc1 222925914 JQBVYGRTKOBIOF-PGRDOPGGSA-N 367.533 5.279 0 40 FKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)oc1ccccc12 224616692 RZEYFVDPCPCLQG-GOSISDBHSA-N 363.388 5.521 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCCC2)cc1 225512048 BIEMKPCAMMVRNM-UHFFFAOYSA-N 351.490 5.480 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225654003 PVCWRWMFTDTVOY-HXUWFJFHSA-N 369.933 5.833 0 40 FKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCCCCC1 225660075 YVTRLYDJBFUYRM-SFHVURJKSA-N 361.526 5.630 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(OC(C)C)cc2)C(C)C)c(C)c1 225765904 DZHPZNVMNZDAEO-OAQYLSRUSA-N 370.562 5.774 0 40 FKAB C[C@H](Cc1ccccc1)NCC(=O)N1c2ccccc2Sc2ccccc21 669368909 PZTBMDZMMKFSOF-QGZVFWFLSA-N 374.509 5.037 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4ccc(C(C)C)cc4)ncnc32)c(C)c1 756776 RXFRJZUERFFLBQ-UHFFFAOYSA-N 357.461 5.299 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)oc2c1 989714 YPHYPSLLWWYMEN-UHFFFAOYSA-N 356.425 5.293 0 40 FKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Cl)c1)CO3 2395401 KHUWPFXQNPYQNO-UHFFFAOYSA-N 369.848 5.064 0 40 FKAB CCC(=O)Nc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)cc1 3350999 SVNNJDHEIPTJAJ-CQSZACIVSA-N 351.475 5.332 0 40 FKAB Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)cc1 4184517 ZCKRRCTYPXGADU-QFIPXVFZSA-N 363.913 7.006 0 40 FKAB Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 4189709 KPTDZLVKLBEQDZ-UHFFFAOYSA-N 350.462 5.225 0 40 FKAB Cc1cc(Br)ccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4666424 DMCXSFYKUIRICU-HNNXBMFYSA-N 374.322 5.698 0 40 FKAB C[C@@H](NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4902998 LOSGSTOVRAKYCY-RLLQIKCJSA-N 357.563 5.778 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCC(C)CC2)cc1 5500283 HGGOJTUGOYYFMD-XAHYOPIXSA-N 360.501 5.753 0 40 FKAB Brc1ccc(CSc2ccc(-c3cccs3)nn2)cc1 6859109 XNXRTSIZZZOUIW-UHFFFAOYSA-N 363.305 5.260 0 40 FKAB COc1c(Cl)cc(C(=O)Nc2cccc3ccc(C)nc23)cc1Cl 7388599 RQFNPROPEDTLCK-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB CC(C)(C)C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 9141047 AADNQSBARBESAT-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 19691471 JINQPTZPRIEMAK-FQEVSTJZSA-N 354.469 5.296 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 20044828 QKJGLFYNBCHGIT-CYBMUJFWSA-N 358.652 5.443 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20050326 NDBSMPAOSBQREV-FPOVZHCZSA-N 353.506 5.283 0 40 FKAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 20459161 MHWFZQAXCBUOQA-HZPDHXFCSA-N 371.546 5.351 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1SC 30866165 IWEBGJFWJSCVIO-OAHLLOKOSA-N 351.924 5.571 0 40 FKAB Cc1c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)sc2nc(C(F)(F)F)ccc12 32809495 CWUNPYPYURQVFQ-PWSUYJOCSA-N 370.440 5.274 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3o2)c(Cl)c1 32904877 JSEHZRRMGAFBBW-GFCCVEGCSA-N 360.866 5.217 0 40 FKAB Cc1cc(Br)ccc1C(=O)c1ccc(Oc2ccccc2)cc1 38249074 ZYTHRNKWHOXGJR-UHFFFAOYSA-N 367.242 5.781 0 40 FKAB CCCCCC[C@H](CN(CCCC)CCCC)N(CCCC)CCCC 43752080 RZLYLUPSEZKQSN-XMMPIXPASA-N 368.694 7.130 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@@H]1c1ccsc1 48234720 JEUAIMBIMFJWGK-MRXNPFEDSA-N 355.488 5.241 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@H]1[C@@H]2CC[C@H]2CCCC[C@]12C 68562526 CJZNZDGODWVLOM-IBOXJRJNSA-N 358.569 7.222 0 40 FKAB CCc1cc(Br)c2oc(Cc3ccc(Cl)cc3)nc2c1 73638769 YEABWSBNWIVOHU-UHFFFAOYSA-N 350.643 5.397 0 40 FKAB Oc1nc(/C(Cl)=C\c2cccnc2)nc2sc(-c3ccccc3)cc12 84560195 BNNXCGYCVCXRPS-OQLLNIDSSA-N 365.845 5.196 0 40 FKAB Cc1cc2c(cc1C)N[C@H](/C=C/c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102931563 DJEBTNYIGCJNSF-GNISGLHKSA-N 372.512 6.516 0 40 FKAB Cc1cc2occ(CC(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c2cc1C(C)C 103012920 PSGPBLAJFRQSBM-TVKQPGBESA-N 353.506 5.348 0 40 FKAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 222558162 JNDFDPUSLNLTAI-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc2c(c1)CCCC2 222907135 QTNHRIASMFMKPW-KHCKMINHSA-N 371.480 5.576 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)CCc1ccccc1 222925969 JQBVYGRTKOBIOF-AVRDEDQJSA-N 367.533 5.279 0 40 FKAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223132651 OWLMUYMUTKHWGG-HXUWFJFHSA-N 359.872 5.168 0 40 FKAB O=C(c1cccc2ccccc12)N1CCS[C@@H](c2ccccc2F)CC1 225740780 GHZMKFSLPBPOIN-OAQYLSRUSA-N 365.473 5.299 0 40 FKAB Cc1ccc(CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 409380774 HZUMXAXVXZGAPW-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB COC(=O)c1ccc(Nc2nc(-c3cc(C)ccc3C)c(C)s2)cc1 845834 PDIFUFMPIVHMAY-UHFFFAOYSA-N 352.459 5.266 0 40 FKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1CC(=O)c1ccccc1 2065957 HLVFDTKZSWZBLN-SANMLTNESA-N 369.508 5.864 0 40 FKAB CCc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3cc2oc1=O 2145930 ZFGZWFFJUWGZNP-UHFFFAOYSA-N 354.405 6.230 0 40 FKAB biogenic O=C(CSc1nc2ccccc2s1)n1c2ccccc2c2ccccc21 2346437 RABDWOOHKFZFFY-UHFFFAOYSA-N 374.490 5.837 0 40 FKAB Cc1ccc(-c2c(O)c3cc(C)c(C)cc3c3oc(=O)sc23)cc1C 2405385 WKRAYFCVIACWFB-UHFFFAOYSA-N 350.439 5.614 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)C1c2ccccc2Oc2ccccc21 3906515 FTIOUOXXICSRTM-UHFFFAOYSA-N 359.469 5.009 0 40 FKAB Cc1ccc2sc(NC(=O)c3cc(Cl)sc3Cl)nc2c1C 4275368 HAKYVSPLQSHKOL-UHFFFAOYSA-N 357.287 5.534 0 40 FKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)C(C)C)cc3n2)cc1 4554821 QLDLOPMQNZNLTN-UHFFFAOYSA-N 370.884 5.011 0 40 FKAB Fc1ccc(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)cc1 4725708 NSXDZVXMMSWZQT-HKMNZKMDSA-N 354.475 5.970 0 40 FKAB Cc1ccc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 4727413 CVEAAUGUSNUSLF-WZFBRQLOSA-N 353.465 5.022 0 40 FKAB CCSc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 5241074 DIGJIGATRJDMLF-UHFFFAOYSA-N 370.499 5.183 0 40 FKAB Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1Cl 5259499 DUZXQGHZTYBSIG-UHFFFAOYSA-N 367.832 5.458 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 5379443 CGWUIXDYAXNCAP-UHFFFAOYSA-N 358.652 5.443 0 40 FKAB CCCCCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 5545917 ANMOQLIRZZATBE-HNNXBMFYSA-N 369.896 5.371 0 40 FKAB CCc1ccc(-c2csc(NC(=O)[C@@H](CC)Oc3ccccc3)n2)cc1 6124643 PJUGQQUCJGFOQG-LJQANCHMSA-N 366.486 5.169 0 40 FKAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1cccc(Cl)c1 6344713 RWNPLTQDIUCUOD-UHFFFAOYSA-N 362.816 5.013 0 40 FKAB S=c1[nH]c2ccccc2n1-c1cc(-c2ccccc2)nn1-c1ccccc1 6649761 OZIJOKLRXQGXAC-UHFFFAOYSA-N 368.465 5.541 0 40 FKAB Clc1ccc(OCCCN2CCCC[C@H]2c2cccnc2)c(Cl)c1 6719118 VPBSXDDNAFBEME-SFHVURJKSA-N 365.304 5.385 0 40 FKAB biogenic Clc1ccccc1COc1ccc(-c2nc(-c3ccncc3)no2)cc1 7700632 DWIKXGWELZMWDS-UHFFFAOYSA-N 363.804 5.031 0 40 FKAB CCc1ccc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 11869722 ZIYVMVBNKXLESR-UHFFFAOYSA-N 369.214 5.531 0 40 FKAB biogenic CCCOc1ccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 11914729 GYEWZLHAXQEFFV-UHFFFAOYSA-N 360.457 5.026 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O 13368468 QAPOXOGEDXIOHD-VZRGJMDUSA-N 356.506 6.180 0 40 FKAB biogenic,in-vitro Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616363 PUOXIOJLSNXIOS-GGAORHGYSA-N 374.871 5.891 0 40 FKAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 13774805 MTHIUGNHSVNJCJ-CQSZACIVSA-N 360.954 5.994 0 40 FKAB S=C(Nc1ccc(Cl)cc1Cl)Nc1ncc(Cl)cc1Cl 16385100 UFOLMVOCFQDGTQ-UHFFFAOYSA-N 367.088 5.504 0 40 FKAB Clc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 16493570 SUVFYAUIEZUUST-LJQANCHMSA-N 361.832 5.592 0 40 FKAB Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccccc3)cn12 16740406 BCYFGGWQJZOHLM-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB Clc1cc(Cl)cc(CNc2ccccc2OC[C@@H]2CCCO2)c1 19737597 KPNYBCFHPKZZKL-INIZCTEOSA-N 352.261 5.163 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610458 JYFMDSFRCKPIDM-UHFFFAOYSA-N 370.456 5.105 0 40 FKAB O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)c1ccccn1 28290852 JVEDLQLNLMHMFU-UHFFFAOYSA-N 357.240 5.235 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(CC)cc2)cc1OCC 33643933 RVWHJUZJCNTKEQ-UHFFFAOYSA-N 361.869 5.342 0 40 FKAB Clc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)c1 41005170 UHBPNMHJSARGJD-UHFFFAOYSA-N 369.251 6.116 0 40 FKAB Cc1nc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cc2s1 48234652 FIMGTNDRTYPMJK-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB CC(C)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C(C)C 72212983 KHUDMFJGFBZGMZ-JOCHJYFZSA-N 351.538 5.432 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc3sc4ccccc4c3s2)C1 100990582 GPNOGNZOPGHPPG-YEJXKQKISA-N 369.555 6.157 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc(Cl)cc4[C@H]3C2)o1 102725064 SFCCSRVKUMNCNR-NQIIRXRSSA-N 364.832 5.484 0 40 FKAB CC(C)C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 222799743 HQMZLEDDABQGKG-HXUWFJFHSA-N 353.506 5.267 0 40 FKAB O=C(NCCCc1cccc2ccccc12)C1(c2ccccc2)CCCC1 224054712 GJQCWIFNFOYRRD-UHFFFAOYSA-N 357.497 5.401 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1 224360767 MOOGTPQDIUBOQQ-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F 225056285 XWFYGJJMLODJDK-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225334873 VPMUTJVUHZLBIF-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1 225866439 QJJNKPJRVQYHCM-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(C)c(C)c1 225870617 YMEDNLBSQQKWPC-WZONZLPQSA-N 365.517 5.217 0 40 FKAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 409135747 ZUXIPDCQBLSKBE-HAVVHWLPSA-N 371.480 5.745 0 40 FKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc(C)cc1 409137571 YGRBGSVEFUQMAE-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB CC[C@H](C(=O)c1ccc(COc2cc(F)ccc2F)cc1)c1ccccc1 575358165 LZZDXJILZRXCLC-FQEVSTJZSA-N 366.407 5.920 0 40 FKAB O=C(c1ccccc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443200 QMXPQPZMHNTKFD-UHFFFAOYSA-N 354.413 5.059 0 40 FKAB Cn1c(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 858197 ODYGHZIKAGIGIN-UHFFFAOYSA-N 364.489 5.105 0 40 FKAB COc1ccc(-c2c/c(=N\c3cccc(OC)c3)c3cc(C)ccc3o2)cc1 955701 FIFIIJUXVCHBOY-YYDJUVGSSA-N 371.436 5.658 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccccc2)cs1 1514378 GMBRXZVHBZCFIT-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CCCCC1 1903587 IEMZGOANEBZCHL-UHFFFAOYSA-N 371.502 5.419 0 40 FKAB COc1ccc(-c2csc3cc(-c4ccccc4Cl)oc(=O)c23)cc1 2256107 ZHTIHALXDJUKIP-UHFFFAOYSA-N 368.841 5.851 0 40 FKAB CCCCc1nc2sc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2266331 ZDEBKRKWFFJZST-UHFFFAOYSA-N 361.898 5.087 0 40 FKAB CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)cs3)c(=O)oc12 2299569 OPBBAXCRQWWAJJ-UHFFFAOYSA-N 363.438 5.291 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(C)c2)c1 2649856 FTKMAKCPNVJCLN-UHFFFAOYSA-N 370.699 5.385 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3Cl)n2)cc1C 2652407 CTNYXXCQLPXMES-UHFFFAOYSA-N 360.841 5.472 0 40 FKAB CC1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1 2701519 KQRSQQSZNGEWQX-UHFFFAOYSA-N 369.468 5.793 0 40 FKAB Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)c(Cl)c1 3116619 UMCYBWNZKUWPGD-UHFFFAOYSA-N 365.241 5.040 0 40 FKAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 3329427 SRZGODNHWWIJAB-HXUWFJFHSA-N 373.452 5.029 0 40 FKAB COc1ccc(NC(=O)C[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4043227 UFAOAHSTSYHPOW-WIYYLYMNSA-N 367.489 5.013 0 40 FKAB biogenic CC(C)c1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 4646435 GIEDTGGJPSTUSR-REZTVBANSA-N 361.775 5.086 0 40 FKAB Cc1ccc2nc(-c3ccccc3Cl)c(Nc3ccc(Cl)cc3)n2c1 4733500 YAGYPWMRKMUTRG-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 5541535 SDOGYRVDZPROBM-UHFFFAOYSA-N 359.469 5.338 0 40 FKAB Cc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 6451526 OTGMXJJFVKQRAN-OAQYLSRUSA-N 364.828 5.429 0 40 FKAB CC[C@H](C)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8326617 FJKRLZTZGCXJCM-INIZCTEOSA-N 353.893 5.960 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCC1)C1(c2ccccc2)CCCC1 10372768 LCOIQWWOAOURRK-UHFFFAOYSA-N 368.908 5.391 0 40 FKAB Clc1ccc(/N=c2\scc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 12559497 WYJOTHJYNDROQN-ZBKJMMEJSA-N 370.905 5.281 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(NC(C)(C)C)s3)co2)cc1 12728245 BAHBGTAOLCKMTB-UHFFFAOYSA-N 360.508 5.004 0 40 FKAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)Nc3ccccc3C)ccc21 13042017 MEHVUOBOUYFXNF-QGZVFWFLSA-N 371.484 5.562 0 40 FKAB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13673370 UGYPIGVRNDTWEN-INIZCTEOSA-N 373.924 5.674 0 40 FKAB CCc1ccc(N2C(=O)CS[C@@H]2c2ccc3cc(OC)ccc3c2)cc1 17198435 QRESWGJFPILWQW-JOCHJYFZSA-N 363.482 5.189 0 40 FKAB CCOc1cc(CN[C@@H](C)CC)cc(Cl)c1OCc1ccc(C)cc1 20573277 HRNUOVSNRWPUAM-INIZCTEOSA-N 361.913 5.514 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 71761660 FYMDBASNKQGGAS-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCCC3)c2)cc1 78545558 NDGYMUUWSRWWAH-UHFFFAOYSA-N 364.489 5.365 0 40 FKAB Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)c1 85345353 QQTNHDXNQDMHFX-UHFFFAOYSA-N 363.631 6.450 0 40 FKAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1cccc(C(F)(F)F)c1 100408056 LBERPLGOCZZLFT-RIYZIHGNSA-N 370.783 5.357 0 40 FKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1-c1nc2ccccc2s1 103468946 DEZJZDROUSQPFQ-HRCADAONSA-N 362.498 5.728 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccccc1Cl)c1ccccc1 225502848 GCQAHUZMARKHNT-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c2ccccc12 225943300 NTGIPWCJYMMFRJ-UHFFFAOYSA-N 367.876 5.709 0 40 FKAB CN(C)c1ccc([C@H]2[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccco2)cc1 968528 YEQWUTURGFFZLM-ACRUOGEOSA-N 365.860 5.379 0 40 FKAB CC(C)NC(=O)Nc1ccccc1SCc1c(Cl)cccc1Cl 984173 AJIBFKJECNMZKF-UHFFFAOYSA-N 369.317 5.816 0 40 FKAB Cc1ccc2nc(Cl)c(CN(Cc3ccccc3)C(=O)C3CC3)cc2c1 1367650 QQZWGBWQVAWKMS-UHFFFAOYSA-N 364.876 5.135 0 40 FKAB CCCSc1nc(SCC)c2c3c(sc2n1)COC(C)(C)C3 2367013 MMKREGFYIFBUPH-UHFFFAOYSA-N 354.566 5.157 0 40 FKAB Cc1ccc(-c2nnc(Oc3ccc(C=O)cc3)c3ccccc23)cc1C 3172885 HXHVJXLTDOCEDL-UHFFFAOYSA-N 354.409 5.518 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)c1 3376715 VQUSWKMFHCIWAC-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB aggregator CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@H](C)CC[C@@H]21 4026747 KPIXKDQLMOSNMI-DXSVYULSSA-N 368.561 7.167 0 40 FKAB biogenic O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2ccccc12 4033907 JSTUHLKKJFEDLK-UHFFFAOYSA-N 363.420 5.635 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4070762 KAASKSVTHCKDCH-JKQFGOOQSA-N 373.518 6.008 0 40 FKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 4090435 CTOQJCNQMWYFJT-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB Cc1ccc(-c2noc(CNC3CCCCCCCCCCC3)n2)cc1 4723554 MOLGLDFFOROMSC-UHFFFAOYSA-N 355.526 5.808 0 40 FKAB CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN12 4854148 IHAVNXPAJQLGBW-ICSRJNTNSA-N 356.853 5.018 0 40 FKAB O=C(O)CC/C(=C\c1cccc2ccccc12)c1nc2ccccc2s1 5832699 AKFHYEHRAQMEPB-SAPNQHFASA-N 359.450 5.855 0 40 FKAB CCCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 6203093 MKWBYBWCBVTZFX-UHFFFAOYSA-N 371.893 5.946 0 40 FKAB CCc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 6258633 NPABHRJMDOXYFX-UHFFFAOYSA-N 361.510 5.710 0 40 FKAB CC(C)CNCc1c(OCc2ccccc2Cl)ccc2ccccc12 6883525 WNGKDCVKDVXRBG-UHFFFAOYSA-N 353.893 5.818 0 40 FKAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(C)C 8404133 MKGFOHPPEJKJKD-UHFFFAOYSA-N 367.367 5.001 0 40 FKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1 8550156 ZTIIRMWTRJFMTE-LJQANCHMSA-N 361.485 5.433 0 40 FKAB CCc1ccc2oc(C(=O)Nc3cc(-c4ccc(C)cc4)no3)c(C)c2c1 9194949 KDGMVPSGESNLMB-UHFFFAOYSA-N 360.413 5.519 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccccc1)[C@@H]2O 10272327 ZPIDDLUDNFHGDG-FDEFVQNTSA-N 360.497 5.303 0 40 FKAB O=C(c1ccccc1SCc1ccccc1)N1CCc2ccccc2C1 13677388 JCRPHUDVDDOYFN-UHFFFAOYSA-N 359.494 5.177 0 40 FKAB CC(C)(C)SCCNC(=O)N1c2ccccc2Sc2ccccc21 13717158 UXGZAGIRTCNORC-UHFFFAOYSA-N 358.532 5.531 0 40 FKAB CCCCn1nc(C)c(/C=C/C(=O)Nc2ccc(F)cc2Cl)c1Cl 15425628 LEDUGOBDXMMVSV-SOFGYWHQSA-N 370.255 5.089 0 40 FKAB Cc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 16733597 LPRLSIYIGSTPFU-VHXPQNKSSA-N 356.494 5.806 0 40 FKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)cc1 20450281 UCAISKNDVAYSSE-UHFFFAOYSA-N 372.468 5.859 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 30852715 XFBQOQHDZSIFJS-QGZVFWFLSA-N 361.441 5.447 0 40 FKAB O=C(CCCc1nc2ccccc2o1)Nc1ccc2c(c1)oc1ccccc12 32252622 QYJDPFAGSALYCM-UHFFFAOYSA-N 370.408 5.689 0 40 FKAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(Cl)o3)n2)c1C 32575253 RHJHEFHVLJAEBP-UHFFFAOYSA-N 363.870 5.137 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38856986 FQXZRGFQWRBRQY-QGZVFWFLSA-N 350.506 5.042 0 40 FKAB CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1 44137054 CFJCNWQXOICKIF-UHFFFAOYSA-N 364.520 7.244 0 40 FKAB in-vitro CC(C)C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 44885815 CNEJSKKAMLFVSC-LJQANCHMSA-N 361.938 5.726 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(C)cc2Br)c(F)c1 71760571 UWZXTPPPTZAEMO-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CCOc1ccc(OCC)c(NC(=S)Nc2cccc(Cl)c2F)c1 71760627 BOWHCOZPVFUQEP-UHFFFAOYSA-N 368.861 5.085 0 40 FKAB Fc1ccccc1-c1c[nH]nc1[C@@H]1CCCN1Cc1ccc2ncccc2c1 72380351 JBILWRJWVQZBIQ-QFIPXVFZSA-N 372.447 5.101 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2c(Cl)cccc2Cl)C1 100990185 KTFLABNPMBQUAT-KPZWWZAWSA-N 372.361 5.513 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 222856862 MGPSRNCBDIYOQX-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB CCCC[C@H](CC)CNC(=O)CSCc1c(Cl)cccc1Cl 223443013 CGGDVFHQLIXYMU-ZDUSSCGKSA-N 362.366 5.559 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 225508296 UAKKLVCXLUNIJB-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225702359 LUEUSFVRURCSKP-QHCPKHFHSA-N 369.505 5.580 0 40 FKAB CCC[C@@H](F)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817199 LIZVKLUXDISLIA-LJQANCHMSA-N 373.471 6.554 0 40 FKAB in-vitro CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C 408567884 QAXHIYYUYIOKQM-UHFFFAOYSA-N 362.267 5.189 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ccccc2Cl)cc1 408604298 URSZRZXYXXJCGY-VGOFMYFVSA-N 367.807 5.923 0 40 FKAB COc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 1775965034 QZZZOUDLGMWTIN-UHFFFAOYSA-N 365.376 5.513 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3F)c(Cl)cc12 629915 PQARDZWRGWKBHY-UHFFFAOYSA-N 353.176 5.126 0 40 FKAB Cc1ccc(C(=O)NCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 1390503 ZOHPTHDFHBRSLM-UHFFFAOYSA-N 356.878 5.010 0 40 FKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCOc1ccc(F)cc1 1835541 IBOYZSVLHCWLHP-OAQYLSRUSA-N 352.453 5.052 0 40 FKAB O=C(Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 2167736 KIKNJLOFPANLQI-UHFFFAOYSA-N 366.258 5.220 0 40 FKAB biogenic O=C(CCCSc1nc2ccccc2s1)Nc1ccc(F)cc1F 2629149 PFQMPEZJSBNDKT-UHFFFAOYSA-N 364.442 5.086 0 40 FKAB Cc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(C)cc2)cc1 3088185 RCWZWZVTCOYNMN-UHFFFAOYSA-N 366.505 5.611 0 40 FKAB biogenic O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cc2ccccc2o1 4487819 YGYQRFMVRZMOCB-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(F)cc2)N3)C1 4553424 YGYFJTRIWUSPDH-FZKQIMNGSA-N 372.509 5.857 0 40 FKAB Clc1ccc([C@@H]2Nc3ccccc3Nc3n[nH]c(-c4ccccc4)c32)cc1 5827080 DTGXSRMDDLLPFV-FQEVSTJZSA-N 372.859 5.989 0 40 FKAB O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1CCc1ccccc1 6537687 NMTKLFPPZHWUHK-UHFFFAOYSA-N 364.495 5.030 0 40 FKAB CCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 7261645 GWEMRPUOBDOBJB-UHFFFAOYSA-N 365.876 5.347 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 8040898 HDINCODNCXTKSX-GOSISDBHSA-N 361.441 5.502 0 40 FKAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104712 WWOHRRYIOXYPMZ-LLVKDONJSA-N 362.907 5.031 0 40 FKAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccccc1 9421324 WWDUYFUECRODFS-UHFFFAOYSA-N 372.472 5.045 0 40 FKAB Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1cccnc1)O2 10215521 SLFHGNARAIBYKK-QFBILLFUSA-N 367.861 5.039 0 40 FKAB CCn1c(C)cc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)c1C 12902967 DCWMYCANQJEIJJ-UHFFFAOYSA-N 367.518 5.046 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cccnc1 13006208 DFKAJKKUSHMGRX-UHFFFAOYSA-N 369.496 5.247 0 40 FKAB C/C=C/c1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)c(OC)c1 14138884 AEBNDZFTKMDFDY-ZZXKWVIFSA-N 360.335 5.483 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1OC 20108700 HNCAQYLHIFQPFZ-IBGZPJMESA-N 369.848 5.298 0 40 FKAB COc1ccc(NC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)cc1 22072080 MFWSWYBAJZYWCA-UHFFFAOYSA-N 361.445 5.210 0 40 FKAB Cc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1C 22237694 AXDJBZDJMKTPHY-UHFFFAOYSA-N 351.475 5.089 0 40 FKAB CCOc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1 27586134 QYZOQELTLIJZQQ-UHFFFAOYSA-N 358.445 5.155 0 40 FKAB Cc1nn(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1Cl 32611503 KJGLGHYZWISCMI-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB Clc1ccc(C2=NC3N=C(c4ccc(Cl)cc4)SC3S2)cc1 41097577 ASDGXTNDFHPRLI-UHFFFAOYSA-N 365.310 5.333 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 44885350 WPGQLVHZOUXQQM-CQSZACIVSA-N 374.720 6.156 0 40 FKAB CCc1noc(C)c1C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 58008587 JSOLKBFJDQHSHW-UHFFFAOYSA-N 372.877 5.602 0 40 FKAB O=C(O)c1cccc(Nc2ccnc3ccc(Oc4ccccc4)cc23)c1 78401520 YHHQUBYABJZBEJ-UHFFFAOYSA-N 356.381 5.469 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C 78579294 BAAXLUITHCXPEW-AWEZNQCLSA-N 365.901 5.207 0 40 FKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)cc1C 96037268 RWXMAZPWAJAARB-UHFFFAOYSA-N 359.473 5.583 0 40 FKAB Cc1cc(Nc2ccccc2)nc(S[C@H]2C(=O)[C@@H]3CC[C@]2(C)C3(C)C)n1 100928523 IKASSMQQNILGOK-XERREHJYSA-N 367.518 5.015 0 40 FKAB Cc1noc2c1[C@@H](c1ccccc1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102728792 VSCGXVOWILAMNW-IIBYNOLFSA-N 372.424 5.296 0 40 FKAB Cc1cc2c(cc1C)N[C@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 102880388 HFKRUVNDSLALST-JOCHJYFZSA-N 362.473 5.880 0 40 FKAB CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C)c(C)c1 222801861 FNZBZHYFFZTZHQ-FQEVSTJZSA-N 353.506 5.247 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)c(C)c1 225331898 UCYLPKXGLPRYBC-CQSZACIVSA-N 350.289 5.420 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225541750 FVLVFDCMBVWVSV-UHFFFAOYSA-N 351.490 5.624 0 40 FKAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 253504928 NIXXKMPUWREKQR-BLDDEZIESA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro CSc1nc(Sc2cccc(C(F)(F)F)c2)c2sccc2n1 1394050 PQFRXIFBPNYZPE-UHFFFAOYSA-N 358.435 5.583 0 40 FKAB Cc1nn2c(NCc3ccccc3)c3c(nc2c1-c1ccccc1)CCCC3 2334598 RQCOBJRKOVIBRN-UHFFFAOYSA-N 368.484 5.196 0 40 FKAB CCOc1ccc([C@@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 2409724 BBBVMWNJNDIJTF-QHCPKHFHSA-N 355.441 5.249 0 40 FKAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1 3330948 BTDYBHMPJMSAJT-INIZCTEOSA-N 356.535 5.331 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)c(Br)c1 3406797 XXCPURMRGAYJQC-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccc(F)cc2)C1(C)C 3765606 GXTCOSAATBZAQH-GHTZIAJQSA-N 364.464 5.175 0 40 FKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C(C)=C/c2ccccc2)N3)C1 4545518 FNLHBVZAPGMZFA-UGRDJDSXSA-N 352.503 5.423 0 40 FKAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 4702966 RTWHJXODQHWHOE-UHFFFAOYSA-N 372.553 5.034 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 4953189 RCAGKVKUBXEDNW-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2Cl)cc1 5545434 CGZSBHTWUQAWNB-NTCAYCPXSA-N 374.871 5.917 0 40 FKAB CCSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5577199 WYRHIPKLSLRSLA-UHFFFAOYSA-N 359.926 5.768 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 6348818 RJBGEIAHMFFBMR-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB CCCCc1ccc(NC(=O)CNCCC23CC4CC(CC(C4)C2)C3)cc1 6429827 HSEMFIFCDWYBRQ-UHFFFAOYSA-N 368.565 5.164 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)Nc1cccc2ccccc12 6536631 FIGAXFCGUFTOBY-UHFFFAOYSA-N 369.449 6.247 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(NCc3ccccn3)c2c1C 6831752 PLNDUKCSPNJCTH-UHFFFAOYSA-N 352.488 5.044 0 40 FKAB CSc1ccc(CN(C)C(=O)c2csc(-c3ccc(C)cc3)n2)cc1 12814935 UAXHNOGTUGVHMT-UHFFFAOYSA-N 368.527 5.113 0 40 FKAB C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)C1CC1 12989335 PIWLNTGEBKMMHU-SUMWQHHRSA-N 364.876 5.266 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 13408900 PISMGMNRZZPIQZ-PZSZKOGDSA-N 360.538 5.310 0 40 FKAB Cc1cccc2c1N(C(=O)c1sc3ccccc3c1Cl)[C@H](C)C[C@@H]2C 15082410 LMWDHWWJWROSRM-UONOGXRCSA-N 369.917 6.406 0 40 FKAB Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 19898429 OSFRARHRHSBETN-UHFFFAOYSA-N 350.487 5.668 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411167 NCHACOSWROPOSQ-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB Cc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(C)c1O 65593708 FEBQPCMQFMTPMP-PTNGSMBKSA-N 353.443 5.024 0 40 FKAB O=C(NCCSCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 222679049 OOSXAYZRFBBIIZ-UHFFFAOYSA-N 373.949 5.201 0 40 FKAB CC1(C)C[C@@H](NC(=S)Nc2ccc(F)c(Cl)c2)c2ccccc2O1 225576960 HIHHYXXKNLERPP-OAHLLOKOSA-N 364.873 5.068 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 245015329 LWLNKFVUOFWRQO-TUNNFDKTSA-N 371.883 5.581 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)C(F)(F)F 299888592 PLWROONZUDKYKG-BHVWNTRMSA-N 356.472 7.264 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 408566413 NVCGBSMWCVOJJS-KRWDZBQOSA-N 363.482 5.739 0 40 FKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nccs1 408619990 FWTNNZUFGUCMPQ-ZZXKWVIFSA-N 365.241 5.362 0 40 FKAB Cc1ccc2nc(Cl)c(CN(C(=O)C3CC3)C3CCCCC3)cc2c1 1367642 GIPPAOIJCCJEMR-UHFFFAOYSA-N 356.897 5.268 0 40 FKAB CCN(CC)C(=O)C[C@@H](Cc1ccccc1)c1ccc(OC(C)C)cc1 2343849 SQMIARWJRZJBOF-OAQYLSRUSA-N 353.506 5.059 0 40 FKAB COc1ccccc1-n1cnnc1SC(c1ccccc1)c1ccccc1 2641462 UIWSNPKFUKZIKD-UHFFFAOYSA-N 373.481 5.158 0 40 FKAB CCCCCOc1ccc(NC(=S)Nc2cccc3ccccc23)cc1 3092234 FTFXOWXGILEXNR-UHFFFAOYSA-N 364.514 6.218 0 40 FKAB CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3s2)c1C 3320048 SVFKSCKMBUGIHC-UHFFFAOYSA-N 362.454 5.072 0 40 FKAB Cc1ccc(C2=NN=C(c3ccc(C)cc3)CC(c3ccccc3)=C2)cc1 4375987 ZYRDOSTZZDCMLR-UHFFFAOYSA-N 350.465 5.984 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 4702958 BQMOFPLYXWRYJA-JOCHJYFZSA-N 358.441 5.165 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 5889348 YSADUIDFNUUAIP-UHFFFAOYSA-N 366.631 6.159 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 6202947 YBGBPNOSTVKJSZ-XIKOKIGWSA-N 372.509 5.857 0 40 FKAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 6249682 ZIHHLBNRAJPPPU-NZWMYCLXSA-N 352.305 5.328 0 40 FKAB CCCCCOc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 6804381 AKIMRFHTMCVZNT-UHFFFAOYSA-N 374.484 5.498 0 40 FKAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1C(C)C 7113038 OUQUYZIRIZJJIU-NRFANRHFSA-N 363.461 5.046 0 40 FKAB CCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7260992 GCLKBXIPBPRJEA-UHFFFAOYSA-N 366.332 6.242 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1c(Cl)cccc1Cl 8382025 GCXXDOOVEXJTLK-UHFFFAOYSA-N 370.235 6.074 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1nc2cc(Cl)ccc2s1 8560668 KXINKIDCLXVQPK-UHFFFAOYSA-N 369.298 5.334 0 40 FKAB CSc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 10252333 JCRYEKAWZRVCHG-UHFFFAOYSA-N 373.481 5.133 0 40 FKAB CC(C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 10435927 ALNXMAICVWDQRG-UHFFFAOYSA-N 368.702 5.180 0 40 FKAB O=C(N1CCC(c2c[nH]c3ccccc23)CC1)C12CC3CC(CC(C3)C1)C2 10884028 DFYAZFQFHRBJKC-UHFFFAOYSA-N 362.517 5.090 0 40 FKAB CC[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12418611 LUSUTLKKIIMPHY-KRWDZBQOSA-N 350.506 5.959 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccccc2SCc2cc(C)no2)c1 14093282 DJYURAWVLCEZPL-UHFFFAOYSA-N 352.459 5.144 0 40 FKAB COc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 16346826 NQKFPSSWHCEEPS-ZRDIBKRKSA-N 367.832 5.569 0 40 FKAB CC(C)c1ccc(O[C@@H](C)CNc2cccc(OC[C@H]3CCCO3)c2)cc1 19738601 OZCRGGPSQZMBPR-FDDCHVKYSA-N 369.505 5.247 0 40 FKAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 39860685 ZRUHFZRAXXFQSF-ZROIWOOFSA-N 350.226 5.234 0 40 FKAB CC1=C[C@@]2(Nc3cc(C(C)C)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40544791 GOHVJAVOBNEUFS-QHCPKHFHSA-N 373.456 5.258 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 44845691 MKITZTYTVFAZJX-QZTJIDSGSA-N 367.533 5.752 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1 44900120 GHZGIFCQKMALDX-IBGZPJMESA-N 353.849 5.598 0 40 FKAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 46798418 FFHKSESJQFUPFX-QGZVFWFLSA-N 372.490 5.072 0 40 FKAB Cc1ccc(F)cc1NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 71761614 AMYROJQBVLVLSL-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215405 AXTCITGLFAUGOG-IBGZPJMESA-N 373.541 5.169 0 40 FKAB CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215578 YENKQSBGNWHDQB-LJQANCHMSA-N 373.541 5.313 0 40 FKAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@H]1C[C@@H]1c1cccc(F)c1 84560027 YEVULEXMNNXVQI-MJGOQNOKSA-N 367.370 5.513 0 40 FKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccccc1F 107041269 NJPGUTRTZQLGNP-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](C1CCCCC1)C2=O 118927122 UJSMXKNMJUHGOA-XMHBYXNSSA-N 370.577 5.686 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)c1 222689881 XDUIXMQIXRFWDB-MRXNPFEDSA-N 361.938 5.707 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 222690355 MCHZRLSRWTYLRF-UHFFFAOYSA-N 365.901 5.100 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)ccc1OC 222913800 QCYYQNHLAPJSGB-LJQANCHMSA-N 355.478 5.097 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525293 QUTHRWIUJFJZPJ-UHFFFAOYSA-N 371.908 5.969 0 40 FKAB COc1cc2c(cc1C)-c1[nH]c(=Nc3cccc4ccccc34)sc1CC2 408898900 YFQPWGXUDAQIQV-UHFFFAOYSA-N 372.493 5.544 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)c1 409112963 HKRKDBCJMKXDMP-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccccc1F 409122037 YHFFGINKLXFKAI-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CC1CCCCC1 409122938 CYDRBRUFKCDXQU-OVCLIPMQSA-N 370.301 5.610 0 40 FKAB Clc1ccccc1COc1ccccc1CNc1ccccc1Cl 409182548 MLCFLBFOCHKPOM-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1cc(=NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)cc[nH]1 1776004134 GYKNQKPLWSVEGF-UHFFFAOYSA-N 352.865 5.487 0 40 FKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)nc2c1 793671 JXOJXFDKODIXJX-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)cc1 830128 FANKYPZBNYUMBG-UHFFFAOYSA-N 364.242 5.273 0 40 FKAB COc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl 1026698 QRGPRVAJHCSIFM-UHFFFAOYSA-N 357.862 5.156 0 40 FKAB COc1cccc(N[C@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)c1 1298078 GHVIHQMVQNYTRF-XMMPIXPASA-N 372.468 5.695 0 40 FKAB Cc1ccc(N[C@@H](c2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 2593472 JRLQRLNLGQLLCZ-HXUWFJFHSA-N 361.422 6.149 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)C1(c2cccc(F)c2)CCCC1 3367942 NETRRVUIXAVUSX-UHFFFAOYSA-N 367.247 5.688 0 40 FKAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1C 5363725 YKFPNEZSKXXTPK-LICLKQGHSA-N 372.877 5.063 0 40 FKAB Cc1ccc(-c2cc(-c3cccs3)c3c4c(sc3n2)CCCC4)o1 12610274 YRLZRCQTDPUFBC-UHFFFAOYSA-N 351.496 6.472 0 40 FKAB CN(C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 12768120 ZCIODWHZOIPCQO-UHFFFAOYSA-N 351.833 5.196 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c(C)c1 12897503 ILELNBDNFJIBAA-UHFFFAOYSA-N 371.440 5.376 0 40 FKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Cl)c1 14257888 XTXNKUJKDOTRHT-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 14258394 GMZAXHUAZFDDTI-UHFFFAOYSA-N 352.659 5.478 0 40 FKAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 14396369 DGAUXVZDPZWWCR-LBPRGKRZSA-N 368.260 5.025 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)CCc1ccccc1 20040597 ISPUUMSGSPKGJV-JPYJTQIMSA-N 361.485 5.135 0 40 FKAB CC(C)C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 20107860 PEUVAJNYNVFTOR-HSZRJFAPSA-N 364.533 5.190 0 40 FKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(F)cc3)c3ccccn3)oc2c1 28287636 CDVLGEMSWBTMKE-UHFFFAOYSA-N 374.415 5.431 0 40 FKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1C[C@@H]1c1ccc(F)cc1 29787067 YBGCSVBGBIKITC-MOPGFXCFSA-N 369.823 5.159 0 40 FKAB c1ccc(-c2csc(SCc3noc(-c4cccs4)n3)n2)cc1 32837638 WYLSZIJTYXEODW-UHFFFAOYSA-N 357.485 5.214 0 40 FKAB COc1ccccc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 58329945 FALIDLABJKVKPE-UHFFFAOYSA-N 367.276 5.445 0 40 FKAB CCS[C@H]1CC[C@@H](N(C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 72305268 DHMWXFMXBOQOSR-RTWAWAEBSA-N 368.546 5.045 0 40 FKAB CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 80344283 LLAYMJPUPQJSLM-SJORKVTESA-N 350.245 5.134 0 40 FKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Cl 96586410 GLIDSOHWKURPLQ-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 223012854 JHHUNTPNIKYTFU-IBGZPJMESA-N 362.300 5.753 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl 225810182 RFQGXBOPIHSMQW-UHFFFAOYSA-N 369.873 5.752 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225862691 FXSZNMXGBUKBTB-UHFFFAOYSA-N 372.896 5.364 0 40 FKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 226321896 XXXLZVXDPBJNAU-UHFFFAOYSA-N 359.636 5.403 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 408585782 IMSSVBXVGACFFQ-UHFFFAOYSA-N 372.679 6.078 0 40 FKAB O=C(O)c1cccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)c1 408608363 LIAQKRIEANURRM-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 408907441 OAKVWLFPJAMTMB-XMHGGMMESA-N 368.263 6.173 0 40 FKAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1Cl 409062113 NUDCEKHPKUZEJV-ZROIWOOFSA-N 350.226 5.234 0 40 FKAB CCCn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 409108854 YGUIBFFDGFPCIY-UHFFFAOYSA-N 373.525 5.724 0 40 FKAB O=c1oc2ccccc2cc1-c1nnc(-c2ccc(-c3ccsc3)cc2)o1 1889298574 NQZAFEYRNVERIE-UHFFFAOYSA-N 372.405 5.239 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1F 826357 IJFZOPNBORUAFB-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1F 854701 QTOIBSARCNLOPL-UHFFFAOYSA-N 365.191 5.348 0 40 FKAB CC(C)c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 1452861 DIZXNTHGIFKTSR-UHFFFAOYSA-N 356.469 5.787 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 2628865 ACYNDFBCQYLBFC-UHFFFAOYSA-N 358.157 5.029 0 40 FKAB Cc1ccc(Cl)c2sc(NC(=O)c3ccc4ncsc4c3)nc12 2723878 DPGFTPXBKUFBNX-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB COC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCCCC2 2745987 ILPOBXXYEGMPAG-UHFFFAOYSA-N 363.523 5.103 0 40 FKAB Clc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1Cl 3354054 SXRXCRZSGNOPOY-UHFFFAOYSA-N 372.280 6.409 0 40 FKAB CN(C)c1ccc([C@H](/C=C2\C=Cc3ccccc3N2)c2ccccc2)cc1 3845711 MIKIJJDATHBDEV-HXLVASOYSA-N 352.481 5.907 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1ccccc1F)c1c(C)[nH]c2ccccc12 4303222 GVKFLAYBSIMFJC-UHFFFAOYSA-N 368.455 6.585 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 4517387 TYPQIOPNRIFDTC-UHFFFAOYSA-N 368.527 5.710 0 40 FKAB CCOc1ccc(-c2csc(NC(=O)c3ccc(SC)cc3)n2)cc1 5222751 IHFHTHMWGIVOEE-UHFFFAOYSA-N 370.499 5.183 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccccc2)cc1 5235218 HGPCWNVZIWSIIR-DTQAZKPQSA-N 370.452 5.294 0 40 FKAB CC(C)N(Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)oc1=S 6048148 UZPXDGUAKTVUQR-UHFFFAOYSA-N 373.909 5.394 0 40 FKAB Cc1ccc(C2=Nc3ccccc3NC(c3ccc(C(C)(C)C)cc3)=C2)cc1 6255945 XEXXGEOPCHAUKO-UHFFFAOYSA-N 366.508 6.880 0 40 FKAB Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1cccc(Cl)c1 6258028 BKWUKPOOWCNEMJ-UHFFFAOYSA-N 360.848 5.519 0 40 FKAB aggregator O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccs1 6597680 OFEIXIYZLKPHBQ-NQIIRXRSSA-N 373.481 5.304 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)OCc1cccc2ccccc12 6602640 BJQLKYNRTVAGHO-UHFFFAOYSA-N 356.421 5.776 0 40 FKAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1[C@@H]2[C@H]2CC[C@@H]1C2 6673403 HLZNOJRSHYTLRA-DCNRHTFLSA-N 353.849 5.335 0 40 FKAB CC(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6858893 FVIXUOGNWKZFKL-UHFFFAOYSA-N 356.473 5.546 0 40 FKAB O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 7098755 DIOUHACKBFZYJF-UHFFFAOYSA-N 370.235 5.820 0 40 FKAB Clc1ccccc1-c1n[nH]c(SCc2cccc3ccccc23)n1 9197992 QSNFGPUUEPTFQS-UHFFFAOYSA-N 351.862 5.571 0 40 FKAB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cccs3)C[C@H]21 10216104 LSKHKPCKQAPKJF-DNVCBOLYSA-N 368.483 5.061 0 40 FKAB CC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13636484 VHTNZIIBDZALGY-JTQLQIEISA-N 367.301 5.244 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 19932081 NQSOBIQJTHUDPN-LJQANCHMSA-N 373.496 5.362 0 40 FKAB C(=C\c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1 21983537 DERZBLKQOCDDDZ-RAXLEYEMSA-N 368.524 5.107 0 40 FKAB aggregator,world Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2Cl)o1 28231890 FTBYWDPAYMTCTH-UHFFFAOYSA-N 364.228 5.330 0 40 FKAB O=C(c1cccc(Cl)c1)N1CCc2sccc2[C@H]1c1cccs1 32781459 BKBXTLQLVWSKHH-KRWDZBQOSA-N 359.903 5.251 0 40 FKAB OCc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 34772850 VNARZZHENAMPEI-UHFFFAOYSA-N 352.044 5.372 0 40 FKAB CCn1c2ccccc2c2nnc(SCc3ccc(Cl)s3)nc21 39575699 ABAHUDBVDDXYQY-UHFFFAOYSA-N 360.895 5.007 0 40 FKAB O=C(CCNc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 55174920 WEQRGEVKDFPHHV-UHFFFAOYSA-N 362.311 5.037 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c(F)c1 71326097 VJZJSSBYECWZAZ-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)Sc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219655354 VGRWZZCTPAXCNC-QGZVFWFLSA-N 355.503 5.219 0 40 FKAB Cc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 223025176 YMIYGDWQQGXXGU-UHFFFAOYSA-N 357.497 5.465 0 40 FKAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)CCCC2 223084771 JLRXPMQCPXAMFD-QFIPXVFZSA-N 367.558 5.456 0 40 FKAB CCCCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OCC 224724071 CBBGRIQNTCQKKV-UHFFFAOYSA-N 359.510 5.022 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1Cl 225677117 YSGKRFDSYHVKEG-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB Cc1ccccc1Cc1ccc([C@H]2CCCCN2Cc2ccccn2)cn1 257235220 GWYBNKVLGHTKGR-XMMPIXPASA-N 357.501 5.103 0 40 FKAB Fc1ccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)cc2)cc1 408578621 ZHJLAXORUBKDAP-UHFFFAOYSA-N 369.436 5.009 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cc(Cl)ccc1OCc1ccccc1 408586538 NPGCNNMZXYWDHD-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 408681137 PDALWEOAMKJXCT-UHFFFAOYSA-N 363.482 5.877 0 40 FKAB CCCCc1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)cc1 1777807 NKXGXCVJBAKYEI-UHFFFAOYSA-N 362.473 5.806 0 40 FKAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 2054692 CGIDRWMKGKVJTC-UNOMPAQXSA-N 366.486 5.224 0 40 FKAB Cc1cccc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)c1 2183260 GJWAFMDPYUAUIT-UHFFFAOYSA-N 368.465 5.495 0 40 FKAB CC(=O)c1cccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 2252861 NVQHTZPPWZPVML-UHFFFAOYSA-N 373.843 5.896 0 40 FKAB Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2521556 BTAGRXWGMYTPBY-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic CCn1cc(CCCNC(=O)Nc2ccc(Cl)cc2)c2ccccc21 3765537 NMXSJUJSLZWDQZ-UHFFFAOYSA-N 355.869 5.069 0 40 FKAB Cc1cccc(-c2cc3nc(C)c(C)c(NCCc4ccc(F)cc4)n3n2)c1 4966842 PUHOWVXGFWXKCL-UHFFFAOYSA-N 374.463 5.115 0 40 FKAB Fc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)cc1 4970332 NMOKAZBRCCGWPM-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB CCc1nc(Sc2ccc3ccccc3c2)c2oc3ccccc3c2n1 5500182 QHYNSRLZKAIEHO-UHFFFAOYSA-N 356.450 6.243 0 40 FKAB Cc1cc2occ(CC(=O)Nc3ccc(F)c(F)c3F)c2cc1C(C)C 6084064 IBTCZCLHKZEKHP-UHFFFAOYSA-N 361.363 5.463 0 40 FKAB Clc1ccc(OCc2ccccc2)c(CNC2CCCCCCC2)c1 7523385 GJTLLOBHMIDGCP-UHFFFAOYSA-N 357.925 6.122 0 40 FKAB CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 8393219 XUZOOIXYRILPDX-UHFFFAOYSA-N 361.441 5.403 0 40 FKAB CCCCN(C)Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1O 8717278 ZAXHIYBXEQQNOX-UHFFFAOYSA-N 354.881 5.493 0 40 FKAB Cc1occc1-c1nnc(SCc2csc(-c3cccs3)n2)o1 9450845 BJBFUISJFVZCSK-UHFFFAOYSA-N 361.473 5.115 0 40 FKAB Cc1ccc(CN(C)Cn2nc(Nc3cccc(C)c3)sc2=S)cc1 12561384 RKFKJZAKMDXBJT-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB CCCC[C@H]1CN(Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 13564179 NLZAJSMJSPJNTI-QHCPKHFHSA-N 374.528 5.805 0 40 FKAB CCC(C)(C)C1CCC2(CC1)S[C@@H](C)C(=O)N2c1ccc(OC)cc1 15228421 HKQLWJABEKWDHZ-FQWCMUAHSA-N 361.551 5.486 0 40 FKAB CCCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 15833138 JRXCGQPCZZDPGY-UHFFFAOYSA-N 372.424 5.536 0 40 FKAB Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccccc1 16480096 CWUHRQXXBXOLMW-UHFFFAOYSA-N 371.455 5.848 0 40 FKAB Cc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc(C)c1O 19328270 FBDKNXWFEWWSBA-UHFFFAOYSA-N 372.512 5.026 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CC(C)(C)C)n1 19691473 JINQPTZPRIEMAK-HXUWFJFHSA-N 354.469 5.296 0 40 FKAB CC(C)COc1ccccc1CNc1ccc(OCc2ccccc2)cc1 19738189 BOKMJRYXYOTKTE-UHFFFAOYSA-N 361.485 5.913 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 20459790 JHCFNMOBLWDDLC-LSDHHAIUSA-N 359.897 5.282 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 20461471 HYZAIRCTENWXQE-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB Cc1oc(-c2cccs2)nc1CC(=O)Oc1cccc(Cl)c1Cl 22475185 MYDUEKMBJRTURP-UHFFFAOYSA-N 368.241 5.166 0 40 FKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)c3ccccc3)s2)cc1C 32910152 BMJVXCNNQDZEOL-AWEZNQCLSA-N 369.515 5.262 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 38771848 FKENDZCWPDTSKT-WIYYLYMNSA-N 367.533 5.636 0 40 FKAB Clc1cccc(-c2csc(Nc3cccc(Cl)c3Cl)n2)c1 67321869 MIFIKLMGUVRCFS-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CCC)cn1 72214697 AYTGCTFRUCNTNZ-SFHVURJKSA-N 361.530 5.170 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccc2cc[nH]c2c1 96114549 VOEPMIHCMHWJCI-SFHVURJKSA-N 363.848 5.110 0 40 FKAB biogenic N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccccc1Cl 102728660 ZOBWDBFDVXCKNX-UHFFFAOYSA-N 367.861 5.230 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1C 107031100 KZPMUVATLDRTLT-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CN(C)c1ccc(-c2nnc(-c3cc4cc(Cl)ccc4n3C)s2)cc1 199413632 VWTXGZIBPOCMMT-UHFFFAOYSA-N 368.893 5.083 0 40 FKAB O=C(NCCSC1CCCC1)/C(=C/c1ccccc1)c1ccccc1 223216484 ISJARCZLHNMORS-HEHNFIMWSA-N 351.515 5.019 0 40 FKAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1Cl 223566458 HFPVLRKMYCYMOO-NRFANRHFSA-N 365.860 5.176 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225470240 FYUFCRMGOPQTGW-INIZCTEOSA-N 354.519 5.364 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2c(F)cccc2F)c2ccccc2)cc1 225510449 ISEDEWVFFCUOLC-LJQANCHMSA-N 368.452 5.349 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O[C@H]1CCCCO1 2049243861 ZULBOIQTAAUGKN-IDAAMWAJSA-N 374.565 5.510 0 40 FKAB O=C(OCc1ccccn1)c1cccc(COc2cccc3ccccc23)c1 672005 XQYSFLRMHQNIQY-UHFFFAOYSA-N 369.420 5.171 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)N1c2ccccc2SC12CCCC2 1568662 LGBDJLRWNTXKOL-UHFFFAOYSA-N 358.894 6.063 0 40 FKAB Cc1c(OC/C=C/c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 1893504 HVTQTZZLLLUKOK-DHZHZOJOSA-N 368.432 5.861 0 40 FKAB biogenic CCCc1cc(=O)oc2cc(C)c3c(-c4ccc5ccccc5c4)coc3c12 2145605 SHGKAKVNGQCRPJ-UHFFFAOYSA-N 368.432 6.620 0 40 FKAB biogenic CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 2465611 HZSVNSHDFDKZCS-FOIQADDNSA-N 358.869 5.036 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccc(F)cc2)C1(C)C 3765605 GXTCOSAATBZAQH-NQIIRXRSSA-N 364.464 5.175 0 40 FKAB Cc1ccc([C@@]2(CCN[C@@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 4043275 NKGXTFCIHUTLTA-GPUOULLFSA-N 365.561 5.809 0 40 FKAB S=c1cc(-c2cc(Cl)cc3c2OCOC3)oc2ccc(Cl)cc12 4070564 UOOGDEBYBSFPCF-UHFFFAOYSA-N 365.237 6.003 0 40 FKAB Clc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 4315280 DOXFVEOMHDIJEF-UHFFFAOYSA-N 360.288 5.249 0 40 FKAB O=C(CCc1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1 4615016 HRUDSCJVWOQLLH-UHFFFAOYSA-N 352.437 5.490 0 40 FKAB Cc1ccc(OC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1 4659266 ULXMLEUXPYIORS-LLVKDONJSA-N 373.663 5.637 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1 5656749 FJIAVQVGTKVSOR-UHFFFAOYSA-N 374.484 5.559 0 40 FKAB Cc1ccc(C)c(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c1 5927486 RNQOJGCDIMHPAK-UHFFFAOYSA-N 368.860 5.521 0 40 FKAB Cc1sc2ncnc(NCCc3ccccc3)c2c1-c1ccc(F)cc1 6232795 HEOFQBTYQPPMHU-UHFFFAOYSA-N 363.461 5.460 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2C)N3)C1 6396233 UMSRODFODVKDIG-IFXJQAMLSA-N 368.546 6.027 0 40 FKAB O[C@]1(c2ccccc2)OC(c2ccccc2)(c2ccccc2)c2ccccc21 6579035 WJEOSIAOQFJNER-AREMUKBSSA-N 364.444 5.202 0 40 FKAB Cc1ccc(CNCc2c(OCc3ccccc3)ccc3ccccc23)cc1 7525202 NMDXAIZYHZPTOR-UHFFFAOYSA-N 367.492 6.017 0 40 FKAB Cc1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)oc2ccccc12 9052350 UGELLJSMBNBXHG-MRXNPFEDSA-N 362.454 5.328 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1 10366702 CUDYGFUIOCEFED-UHFFFAOYSA-N 357.497 6.222 0 40 FKAB O=C(NCc1coc(-c2cccs2)n1)c1sccc1-c1ccccc1 12795556 LUPNSPFICSPGAK-UHFFFAOYSA-N 366.467 5.062 0 40 FKAB CC1CCC(NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 12808479 PJQXYRVEVSCEGJ-BHUNQDJPSA-N 356.535 5.265 0 40 FKAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1-c1cccs1 12872002 JYVDLUMIJBBUIX-UHFFFAOYSA-N 357.475 5.426 0 40 FKAB COc1ccc(Cn2nc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1 13960485 XOXZBHIGKXGJTI-UHFFFAOYSA-N 368.480 5.891 0 40 FKAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 17121582 OYLXPXPMLUODPN-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)c(Cl)c1 18114974 LMXSINRAZLDLKM-UHFFFAOYSA-N 363.935 5.769 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2C(C)C)s1 19933153 XIEPMKRUNRCJDU-UHFFFAOYSA-N 370.543 5.875 0 40 FKAB Cc1nn2c(N3CCCCC3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799231 GHZIUHCZELYTMI-UHFFFAOYSA-N 366.484 5.132 0 40 FKAB COCc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 25910555 BSUDYUBWDURCBI-UHFFFAOYSA-N 367.832 5.531 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(c3ccccc3)c3ccccc3)no2)cc1C 27662585 JDDNWKJSCQQHBM-UHFFFAOYSA-N 368.436 5.937 0 40 FKAB COc1ccc(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 27795687 VGHOGTZMEYYKAV-UHFFFAOYSA-N 363.457 5.433 0 40 FKAB CC1(C)C[C@H](NCC[C@](C)(Cc2ccccc2)c2ccccc2)CCO1 32074024 KLCPIWBXAYSNQW-ISKFKSNPSA-N 351.534 5.124 0 40 FKAB O=C(Nc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 40002654 KIJKQCRQRKSPJI-IBGZPJMESA-N 352.434 5.067 0 40 FKAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(-c2ccccc2Cl)o1 58391617 YJTIGXZHFGMTHU-UHFFFAOYSA-N 369.852 5.554 0 40 FKAB CCN(C(=O)Nc1ccc2nc(C)oc2c1)[C@H](C)c1cc2ccccc2o1 89960780 BXFCLYSPBRBQGC-CYBMUJFWSA-N 363.417 5.497 0 40 FKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 102765878 HRSLEIVTVCMXNX-UPVQGACJSA-N 372.443 5.685 0 40 FKAB Cc1ccc2ccccc2c1[C@H](O)c1cc(Br)ccc1Cl 160997913 QOPKLALPDXGJHS-GOSISDBHSA-N 361.666 5.646 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225828102 YVWDSOXPTOOTLT-QHCPKHFHSA-N 371.521 5.941 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 248339520 SZKXDQCXMWPTMG-DDTVBTAGSA-N 361.485 5.387 0 40 FKAB O=C(c1ccc2ccccc2c1)c1cn(CCCCCF)c2ccccc12 299817166 JBPMXQYHIBTESP-UHFFFAOYSA-N 359.444 6.165 0 40 FKAB in-vitro Cc1nc2ccc(NC(=S)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 408976321 FHJPUCWLCDELIT-KUHUBIRLSA-N 359.564 5.202 0 40 FKAB C[C](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 1560407483 JQAQUDJIDIZKEX-UHFFFAOYSA-N 356.411 5.981 0 40 FKAB CCOc1ccccc1Oc1coc2cc(OCC=C(C)C)ccc2c1=O 631350 BFBSOSIJENURTJ-UHFFFAOYSA-N 366.413 5.329 0 40 FKAB biogenic Cc1ccc(C)c(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 682418 PIKFZKNTPGDRJZ-GOSISDBHSA-N 358.437 5.244 0 40 FKAB CCOc1ccc(NC(=O)CSCc2c(C)c(C)c(C)c(C)c2C)cc1 1000128 YKUIDRCSACHTIV-UHFFFAOYSA-N 371.546 5.499 0 40 FKAB Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1 1326975 SLDVUQSVONDILU-UHFFFAOYSA-N 367.543 5.181 0 40 FKAB CCOC1=C(CN2CCCCC2)[C@@H](c2ccc(F)cc2)Oc2ccccc21 1408493 ZFAXCMNHJCCKQR-JOCHJYFZSA-N 367.464 5.193 0 40 FKAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1Oc1ccccc1 1434515 ALSGHGHCMDKYRD-UHFFFAOYSA-N 365.388 5.433 0 40 FKAB C[C@@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 1438230 PICLVTIVPWKLBJ-YCRPNKLZSA-N 362.860 5.542 0 40 FKAB S=C(Nc1ccccc1Cl)Nc1ccccc1Oc1ccccc1 1444299 ICUQCLFUPLXSOA-UHFFFAOYSA-N 354.862 5.941 0 40 FKAB COc1ccccc1[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1 2296213 GXIGDOSVBBYTLJ-UZLBHIALSA-N 369.892 5.814 0 40 FKAB Cc1ccccc1CN1CCc2c(O[C@H](C)c3ccccc3)cccc2C1=O 2716572 QGYKOCLMQBARDI-LJQANCHMSA-N 371.480 5.334 0 40 FKAB CC1CCN(C(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)CC1 2718347 FYLAVISKVGOQCJ-UHFFFAOYSA-N 364.514 5.186 0 40 FKAB O=C(NC1CCCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 2769135 HKSGPXYMZXFQQW-UHFFFAOYSA-N 357.881 5.372 0 40 FKAB CCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1Cl 3331111 XQHJGGCYJQVELB-UHFFFAOYSA-N 353.318 5.602 0 40 FKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c(C)c1 4540024 WZESQKZWIZUCGI-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB CC(C)(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 5408103 ZICYLXSNVPLTDS-UHFFFAOYSA-N 353.849 5.161 0 40 FKAB COc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5459268 GFLWJKMKPHVBHQ-UNMCSNQZSA-N 373.431 5.330 0 40 FKAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 5792952 DEXGTXXOHLCWMG-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB O=C(CSc1cccc2cccnc12)Nc1cc(Cl)cc(Cl)c1 6322715 JKLSIKSJSWIWED-UHFFFAOYSA-N 363.269 5.272 0 40 FKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccccc1 6829697 VJJDLSGICLKKBE-UHFFFAOYSA-N 371.465 5.028 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 8902884 CPCCXAXXBPZRHU-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccc(F)cc1 9366247 VQDRKYXNEFPHQE-LBPRGKRZSA-N 359.495 5.258 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 11559930 FJGXPQLJNVDGKV-UHFFFAOYSA-N 368.889 5.057 0 40 FKAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)cc3Cl)cs2)cc1 12774328 DELGHWCCOLIPTL-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB Cc1nn(-c2cccc(F)c2)c2c1[C@@H](c1cccc3ccccc13)CC(O)=N2 13570145 ZNDPWSCTSYWHAM-HXUWFJFHSA-N 371.415 5.597 0 40 FKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 14002643 XXDHABGESNQMGI-UHFFFAOYSA-N 373.692 5.082 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 20808353 HXDJIJNTQIUNQH-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1Cc2ccccc2S1 21531350 VBUZTRGEFKQYAA-HXUWFJFHSA-N 372.449 5.150 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 22258408 NYXDURVVNIEVDP-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB COc1ccc(NC(=O)Nc2cccc3ccccc23)cc1OC(F)F 23175229 KJRDFRYYIHQQMK-UHFFFAOYSA-N 358.344 5.094 0 40 FKAB O=C(Nc1ccccc1F)N1CCc2sccc2[C@@H]1c1cccs1 24756491 OXWSXMWSEHFGNQ-QGZVFWFLSA-N 358.463 5.128 0 40 FKAB O=C(NCC1(c2cccs2)CCCC1)Nc1ccccc1C(F)(F)F 38489654 YCOAESSYZJUNBD-UHFFFAOYSA-N 368.424 5.400 0 40 FKAB CN(C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12)c1ccccc1 40130808 QRDDCGPPXPCVED-UHFFFAOYSA-N 369.424 5.044 0 40 FKAB COc1ccc(N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 43152623 GSCHPXDOAXOUSU-SFHVURJKSA-N 371.278 5.429 0 40 FKAB Brc1ccc(-c2ccc([C@H]3C=Cc4ccccc4C3)cc2)cc1 50400188 IKIUSSGGHKEPRW-NRFANRHFSA-N 361.282 6.469 0 40 FKAB in-vitro CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C(C)(C)C)C1 54387972 FYVSOYYJHZCFIA-UHFFFAOYSA-N 367.445 5.022 0 40 FKAB S=C(c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCCCC1 59109364 LQJYCJVYPXBIIL-UHFFFAOYSA-N 368.933 5.504 0 40 FKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 214173516 NUBOEUCBDFLSSS-VDHUBAETSA-N 355.846 5.133 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1Cl 216300324 CMKXNWYNPWKXIX-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 216455590 VHUCWTSJKCHSRD-IBGZPJMESA-N 374.267 5.943 0 40 FKAB Cc1ccc(N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc1 219863805 LUABVMKYVRIEIC-QHCPKHFHSA-N 364.533 5.115 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225844160 YKZYWBBAMXGURJ-QFIPXVFZSA-N 357.494 5.551 0 40 FKAB C[C@@H]1[C@@H](N2CN(Cc3ccccc3)c3nc4ccccc4n3C2)CCC[C@H]1C 251656705 FVTHMBPMOXVALS-DXIQSLLYSA-N 374.532 5.098 0 40 FKAB Oc1nc(-c2ccc(-c3ccccc3Cl)o2)nc2ccc(Cl)cc12 253536067 GJOCNUFPMCRADY-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612279 GDNCPMQDMBBSRP-JIFZKGFRSA-N 374.521 5.018 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nc12 408574444 QRKUIIKENFIOFS-ACCUITESSA-N 374.465 5.825 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1C(F)(F)F 408789029 IFAIITFPVDQJFL-UHFFFAOYSA-N 355.315 5.857 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)c(C)c1 409109600 IAVUWYFCODBMSR-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB COc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409117568 PFUVSHVUZQOLOC-UHFFFAOYSA-N 369.464 6.040 0 40 FKAB CC(C)[C@H]1CC2(CCN(C3CCCC3)CC2)CO[C@@H]1c1ccc(F)cc1 1615192385 QKKWSNDMLDRKOQ-FGZHOGPDSA-N 359.529 5.584 0 40 FKAB O=C(Nc1ccccc1Cl)c1sc2cc(Cl)ccc2c1Cl 853536 RIPLHBDJWNPDOY-UHFFFAOYSA-N 356.661 6.114 0 40 FKAB CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Cl)cc1 863035 HSBSMEQUGJFTGZ-UHFFFAOYSA-N 374.271 5.041 0 40 FKAB Cc1nc(Nc2cccc(C(=O)O)c2)c2cc(-c3ccccc3)sc2n1 955166 GFAPYYZPANAZNT-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1Cl 1641188 NMPAICLYKOKXAP-UHFFFAOYSA-N 360.733 5.985 0 40 FKAB O=C(Nc1cccc(Cl)c1)Oc1c(Cl)cc(Cl)cc1Cl 1655924 WIYWJUVPLQRJFP-UHFFFAOYSA-N 351.016 5.911 0 40 FKAB Clc1ccc(OCOCOc2cc(Cl)ccc2Cl)c(Cl)c1 2082637 FSFJZHSSOZIHLW-UHFFFAOYSA-N 368.043 5.690 0 40 FKAB Cc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)c1 2183261 GITPGYJHVXNSIJ-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccn2)cc1 2242134 IGRWJBFCQVKKQE-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Cc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccc(Cl)cc12 2422838 FDJJHQFNWMMTHT-UHFFFAOYSA-N 350.801 5.657 0 40 FKAB COc1cccc(Cn2nc(-c3ccccc3C)cc2-c2ccccc2C)c1 2733536 GZABANTUABKDAZ-UHFFFAOYSA-N 368.480 5.891 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)no1 2757264 DFZAEKCDWHTONF-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB C1=C2C3=C(O[C@H](c4ccccc4)[C@H]2CCC1)/C(=C/c1ccccc1)CCC3 4024417 GTCWXHKGVTZFCQ-LQIHPYDJSA-N 354.493 7.006 0 40 FKAB biogenic O=C(O)c1ccc(-c2ccc(OCCCCCCCCCCO)cc2)cc1 4060433 AIKURORZFCFWGB-UHFFFAOYSA-N 370.489 5.544 0 40 FKAB COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccccc3)C[C@H]21 4281948 DKBPNDJWRAYOEL-NFBKMPQASA-N 374.415 5.077 0 40 FKAB CCCCCC1CCC(c2ccc(-c3ccc(CC)cn3)cc2F)CC1 4309935 QTBYAAGLFRTUOD-UHFFFAOYSA-N 353.525 7.304 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5951209 DHLRPEPQDZQNBH-UHFFFAOYSA-N 366.288 6.205 0 40 FKAB Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2F)cc1 7537995 PRXFROGJAMVRKX-UHFFFAOYSA-N 369.867 5.656 0 40 FKAB CCOc1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1 7955936 UMLLEUYHEARFAV-UHFFFAOYSA-N 359.809 5.054 0 40 FKAB Cc1c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc2n1C 9355467 KQZADWOKYZJWSG-XMMPIXPASA-N 366.464 5.232 0 40 FKAB Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10111750 RKXLTBZSFPQZHZ-QGZVFWFLSA-N 355.547 5.403 0 40 FKAB CCOc1ccc([C@@H](NC(=O)Nc2ccccc2F)C(C)C)cc1OCC 10207116 XZTWEOWUDKVFIK-FQEVSTJZSA-N 374.456 5.142 0 40 FKAB C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)c1ccc2c(c1)CCC2 12364894 ARJFHPYBSLEVOX-HNNXBMFYSA-N 356.421 5.725 0 40 FKAB CCC[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 12821927 WRMPBQXCMXPCDT-AWEZNQCLSA-N 350.231 5.111 0 40 FKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)c(C)s2)c(C)c1 12870570 VDTHBLUAQVDKOQ-UHFFFAOYSA-N 354.450 5.056 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 20482830 RCMRKIGQTXXUNB-BEFAXECRSA-N 361.938 5.705 0 40 FKAB COc1ccc(OCCCn2c(-c3cccs3)nc3ccccc32)cc1 31903317 QQDCDZJERFTRGZ-UHFFFAOYSA-N 364.470 5.243 0 40 FKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C 33921104 ZOERYLZCLDLETJ-ZBZHKBISSA-N 365.561 6.046 0 40 FKAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 39860684 QIHZTHLPDAXQIQ-ZROIWOOFSA-N 350.226 5.234 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 71760781 LGKVEHSQVQKFNG-UHFFFAOYSA-N 372.843 6.291 0 40 FKAB c1ccc(COc2ccc([C@H]3CCCCN3Cc3ccccc3)cn2)cc1 72212045 GFMAJFRLAZITRO-HSZRJFAPSA-N 358.485 5.388 0 40 FKAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 75288775 SJESZJBIAGHPJE-UHFFFAOYSA-N 356.636 5.248 0 40 FKAB O=S(=O)(Nc1ccc(Cl)cc1)c1c(Cl)cc(Cl)cc1Cl 95949316 IDPOFQWKBINCRI-UHFFFAOYSA-N 371.072 5.101 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 216361220 UFOUUXJMNQVQGK-PMACEKPBSA-N 359.897 5.401 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 224438070 RRNXKKCBXUPSQR-ZDUSSCGKSA-N 366.288 5.831 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OCC 224725783 LSOXMMVRZNEAHG-UHFFFAOYSA-N 355.478 5.217 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 224969998 SBFNYXLGGXLCAZ-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1[C@@H](C)CCC[C@@H]1C 226330022 ATXYIAIRMVDFJE-GJZGRUSLSA-N 371.912 5.250 0 40 FKAB C[C@@H]1C[C@@H]2C=C3CCCC3=C[C@@H]2[C@@H]1CC[C@H]1[C@@H]2C=CC=C[C@@H]2[C@H]2C=CC=C[C@@H]21 299888731 VMDNXVUDKRENNP-RZJSHYQTSA-N 370.580 7.052 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccccc1 408561747 KWIWYFAVBWINIR-FCQUAONHSA-N 364.514 5.239 0 40 FKAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(C)c(C)c1 408826922 LHENGRMEONQBNA-UHFFFAOYSA-N 351.475 5.027 0 40 FKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccs1 409176999 AFMQZIVWQUXQML-SFHVURJKSA-N 356.830 5.183 0 40 FKAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)CCC(C)C)cc3cc21 575472940 AJUMSPMCURQPSP-UHFFFAOYSA-N 353.462 5.044 0 40 FKAB Cc1ccccc1C[C@]1(C)CCc2cccc(-c3cccc(C(=O)O)c3)c2O1 585265939 YKGQRUORGUQSIC-VWLOTQADSA-N 372.464 5.687 0 40 FKAB O=c1[nH]c(NC2CCCCC2)nc2scc(-c3ccc(Cl)cc3)c12 634217 PCGDOJCXMTZHHG-UHFFFAOYSA-N 359.882 5.050 0 40 FKAB COc1cccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c1 840471 HIORUUZRQAWFBA-JUIQIXIKSA-N 369.464 5.177 0 40 FKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cl)cc3)cc12 863661 RFRBPSKVMMORJE-UHFFFAOYSA-N 367.861 5.301 0 40 FKAB Cc1cccc(NC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 1096134 JBALCSPDVKEILA-UHFFFAOYSA-N 359.429 5.200 0 40 FKAB CSc1nc(Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc2n1 1392723 IGZDGKLTVNBRJY-UHFFFAOYSA-N 371.676 6.104 0 40 FKAB COc1ccc(-c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)cc1 1437548 MADKQFWAFJJPHX-UHFFFAOYSA-N 356.469 5.884 0 40 FKAB CCc1nc(Sc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 1801729 HJOMYGNZFSXZCY-UHFFFAOYSA-N 360.935 5.937 0 40 FKAB CCCc1cc(=O)oc2cc(OC/C=C(/C)CCC=C(C)C)c(Cl)cc12 2139631 KHCHBXFWFJVLJZ-YBEGLDIGSA-N 374.908 6.470 0 40 FKAB FC(F)(F)c1cccc(COn2c(-c3ccccc3)nc3ccccc32)c1 3052831 QOHVICKGXPMHCR-UHFFFAOYSA-N 368.358 5.351 0 40 FKAB CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCC3 3343014 SXSHYIWRPOZUBL-UHFFFAOYSA-N 351.471 5.246 0 40 FKAB CCN[P@](=O)(OC)SCc1c(Cl)sc2ccc(Cl)cc12 4287821 MOLGPVLMEDQUSV-SFHVURJKSA-N 370.263 5.805 0 40 FKAB Cc1ccc2c(c1)S[C@@H](CC(=O)c1ccc(Br)cc1)S2 4568161 XMXUNTDGGYQGQP-INIZCTEOSA-N 365.317 5.554 0 40 FKAB CC(C)(C)c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 4664901 AGBXEFURNUJWLS-UHFFFAOYSA-N 374.469 5.564 0 40 FKAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 4954615 TULXKOCSNDHOBC-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB CCc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 8083471 VAFJINXXBGFYFC-GZTJUZNOSA-N 357.862 5.139 0 40 FKAB Cc1ccc(-c2nnc(SCc3ccc(F)cc3)c3ccccc23)cc1 12176787 XENPQCUYJSPRDA-UHFFFAOYSA-N 360.457 6.037 0 40 FKAB CCc1cccc(NC(=O)c2ccccc2SCc2cc(C)no2)c1 14092941 WFUQAJIUNUCWRD-UHFFFAOYSA-N 352.459 5.090 0 40 FKAB Cc1ccc(-c2nnc(Nc3ccccc3)/c(=N\c3ccccc3)s2)cc1 17154877 RQOKYFQACIXZKW-ZNTNEXAZSA-N 370.481 5.490 0 40 FKAB Clc1cccc(CNc2ccc(OCCCc3ccccc3)cc2)c1 19738424 ZYRNIZUUIVSTJU-UHFFFAOYSA-N 351.877 5.964 0 40 FKAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4s3)c2C1 19817329 OGWJYBJXSZWUDS-OAHLLOKOSA-N 373.481 5.012 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2c(C)cccc2C)cc1 27664544 SVSGPIQPVPMONF-UHFFFAOYSA-N 365.498 5.286 0 40 FKAB CCCc1cc(Nc2ccc(Cl)cc2)n2nc3nc(C)cc(C)c3c2n1 33544612 HMYRWKUJICDMIV-UHFFFAOYSA-N 365.868 5.244 0 40 FKAB CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 40743448 UHPRVOKFDRMQBP-UHFFFAOYSA-N 358.696 5.725 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cc(Cl)ccc3C)c2c1 46086397 XSAOMYJWOYQXCR-UHFFFAOYSA-N 371.864 6.134 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 58172884 VVBNHYBXBDZDOR-BFUOFWGJSA-N 360.548 5.221 0 40 FKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cccc(C)c3C)oc12 67339987 TZBPGQMJHZTREM-BQYQJAHWSA-N 355.821 5.364 0 40 FKAB CC1(C)[C@@]2(c3ccccc3)[C@H]3CC(Br)=C[C@@H]3[C@@]12c1ccccc1 71785443 ZCUSLGXRRGHAJZ-BLKABHOGSA-N 365.314 5.831 0 40 FKAB Clc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)nc1 85434155 PFDWTGZOBIZZLP-ATJXCDBQSA-N 363.873 5.487 0 40 FKAB c1ccc(CSc2nc(-c3ccccc3)sc2-c2ccccc2)cc1 94992794 LHVVKBMBOLZTLI-UHFFFAOYSA-N 359.519 6.769 0 40 FKAB CC[C@@H](NC1CCC(O)(c2ccc(C(C)C)cc2)CC1)c1ncc(C)s1 95454563 JABRWJVZTJQPEM-SNCIUUNGSA-N 372.578 5.446 0 40 FKAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)c1 95945295 HONJZVNYMLMLGG-LJQANCHMSA-N 361.470 5.136 0 40 FKAB Cc1cccc(CCCNC(=O)c2ccccc2CCc2ccccc2)c1 219002958 BEKMYRNCOXAOCL-UHFFFAOYSA-N 357.497 5.143 0 40 FKAB Cc1ccc(OC[C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 219129634 HXEKWBCFFMKMAB-HXUWFJFHSA-N 373.496 5.101 0 40 FKAB CCOc1ccc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1C 225421890 AXKKSCFKYHLTAB-LJQANCHMSA-N 367.489 5.206 0 40 FKAB Cc1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1F 225603541 FDSIWSJLXPMQEW-UHFFFAOYSA-N 373.474 5.086 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1Cl 225658796 LNUSJNLRGKTQKA-UHFFFAOYSA-N 353.890 5.197 0 40 FKAB CCCCCC[C@]1(O)[C@@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245380467 ZOERYLZCLDLETJ-DTVDEITCSA-N 365.561 6.046 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O[C@H]3C[C@@H]4[C@H](O3)[C@]3(C)CC[C@H]4C3(C)C)C[C@@H]21 299888743 VUDXCBLBKXFCNA-YGMISMKPSA-N 374.565 5.378 0 40 FKAB Cc1cc2nccc(Nc3ccc(OCc4cccc(Cl)c4)cc3)n2n1 643550443 HWJCJGRTVAGTKF-UHFFFAOYSA-N 364.836 5.014 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 682541 PNFVYLAHTQOSRA-GOSISDBHSA-N 357.453 5.277 0 40 FKAB Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)o1 888186 FOMRIVWYXZOECC-UHFFFAOYSA-N 351.258 5.260 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(Br)c(C)c1 2042965 MRSVNCAPTXUDBP-LJQANCHMSA-N 370.375 5.473 0 40 FKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)cc1 2066901 OXZKFCMFLVPUSD-AREMUKBSSA-N 369.508 6.130 0 40 FKAB Cc1c([C@@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1C 2110980 MYYWIDVMDOBZME-UGKGYDQZSA-N 360.501 5.046 0 40 FKAB biogenic CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)c3ccccc3)c12 4042867 HRUVIWKVZXKBQP-INIZCTEOSA-N 364.441 5.094 0 40 FKAB biogenic CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2sccc2C)N3)C1 4554592 QYSKWWAONSUICW-SJCJKPOMSA-N 374.575 6.088 0 40 FKAB CCCCCC1CCC(c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1 4697362 IWNIZTDLCXUIFH-UHFFFAOYSA-N 364.529 7.068 0 40 FKAB CCCC(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12 5106936 XEZPFNXLCZLZQT-UHFFFAOYSA-N 374.799 5.216 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2s1 5268362 KJNHKFDPHPJYMG-UHFFFAOYSA-N 362.429 5.284 0 40 FKAB CCCCCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 5545915 ANMOQLIRZZATBE-OAHLLOKOSA-N 369.896 5.371 0 40 FKAB COc1ccc(-c2c(S)nnc(-c3ccccc3)c2-c2ccccc2)cc1 5640217 LLQJNGGSYASIFQ-UHFFFAOYSA-N 370.477 5.775 0 40 FKAB CC(C)[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 6392770 ZFNYOCQLNGBTLA-MRXNPFEDSA-N 355.787 5.737 0 40 FKAB Cc1nc(NCCC23CC4CC(CC(C4)C2)C3)c2c3c(sc2n1)CCC3 7191719 DNAQQYYCSRDFCI-UHFFFAOYSA-N 367.562 5.507 0 40 FKAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3ccccc3)c2O1 7453649 YRBBXKFUGROLMX-UHFFFAOYSA-N 373.452 5.085 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 7668751 XCVGNQLQTCKDRN-UHFFFAOYSA-N 361.441 5.307 0 40 FKAB CCOc1cc(CNCC(C)C)cc(Cl)c1OCc1ccc(F)cc1 8253990 LNWWLSOEIHKUMY-UHFFFAOYSA-N 365.876 5.202 0 40 FKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4C)ccc3o2)c1 9660024 RNTQQVBVCDRFAT-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB biogenic CC[C@@H](NC(=O)C(c1cccs1)c1cccs1)c1ccc(F)cc1 12199814 PXYHPRWZSKKRLB-OAHLLOKOSA-N 359.491 5.348 0 40 FKAB CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 13325510 OARWDCDFZTWSNV-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB CCOc1cc2ccccc2cc1C(=O)N(C)Cc1c(F)cccc1Cl 14202210 VQUYWCWWMMFLHJ-UHFFFAOYSA-N 371.839 5.303 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1cc2ccccc2o1 15378283 WZHFCROVBFUCIJ-ZDUSSCGKSA-N 359.878 5.197 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2c(ccc3ccccc32)o1 16526120 VOMIHSJPAOMWIO-UHFFFAOYSA-N 356.208 6.145 0 40 FKAB O=C(/C=C/c1ccccc1)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 16752156 VCAWPMGYJDXQFG-VAWYXSNFSA-N 374.417 5.140 0 40 FKAB CCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17075165 UKKSKBFDTCWPOS-ACCUITESSA-N 365.860 6.123 0 40 FKAB Cc1ccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c(C)c1 18046750 SITHMOVLUSCACU-NNZQMTATSA-N 352.305 5.098 0 40 FKAB CC(C)(C)c1ccc(CNc2cccc(OCCCc3ccccc3)c2)cc1 19738504 PIWKOXHJLAGKJP-UHFFFAOYSA-N 373.540 6.608 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1C 22237723 DAGSOARPURKQIQ-UHFFFAOYSA-N 371.893 5.434 0 40 FKAB Cc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1Cl 35660942 CKVYACMFTUPTLX-UHFFFAOYSA-N 357.610 5.194 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccccc2Sc2ccccc2)cc1 59244521 VUZHEPWXNOXVCR-UHFFFAOYSA-N 365.523 5.877 0 40 FKAB CCCN1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214559 ULZQGROYUTUFOD-GOSISDBHSA-N 361.530 5.026 0 40 FKAB COC(C)(c1ccccc1Br)c1ccccc1Br 95611706 MBRCMYSJCZZXMV-UHFFFAOYSA-N 370.084 5.122 0 40 FKAB CCOc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 101217113 RNZIOCZUKBKLJP-IRLDBZIGSA-N 369.468 5.581 0 40 FKAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccccc1Sc1ccccc1 222574169 WXHLCYGDIXMQHV-UHFFFAOYSA-N 363.486 5.312 0 40 FKAB Cc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)oc12 226044139 OYRRWVSLKWGDHC-UHFFFAOYSA-N 355.437 5.584 0 40 FKAB O=Cc1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12 226764706 ZFQXUAQXGMFDRU-UHFFFAOYSA-N 367.763 5.195 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2ccccc2C(=O)O)cc1 257241443 HYAYJWBWFHRLCX-LJQANCHMSA-N 367.445 5.124 0 40 FKAB O=C(NCCSCc1cccc(Cl)c1)Nc1cccc(Cl)c1 408546808 GNWMBGPZEAGXFZ-UHFFFAOYSA-N 355.290 5.048 0 40 FKAB Cc1sc(=Nc2ccccc2F)[nH]c1-c1ccc(Cl)c(Cl)c1 409042580 NOEHLCQDQNWNSQ-UHFFFAOYSA-N 353.249 5.730 0 40 FKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)N1CCCC[C@H]1C 670417835 PJLRDZITWSZCMF-OQOKOFKUSA-N 351.534 5.477 0 40 FKAB COc1ccccc1[C@@]1(C)CCc2oc3ccccc3c2-c2oc(C)cc21 854340 XDSBECIFXWWDPR-XMMPIXPASA-N 358.437 6.262 0 40 FKAB biogenic Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 897310 ISWGIQMFABJTLS-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1c(F)cccc1F 2713961 IBQCRWXQUSMPCT-UHFFFAOYSA-N 359.184 5.134 0 40 FKAB CCCCCCOc1cccc(NC(=O)Nc2cccc3ccccc23)c1 3012462 LNLVPPPJXSZKDI-UHFFFAOYSA-N 362.473 6.443 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(C)c(Br)c2)c1 3094688 HAGVOAAWSHQUOF-UHFFFAOYSA-N 370.699 5.385 0 40 FKAB CC(=O)N(CC[C@]1(CCC(C)C)CCO[C@H](C(C)C)C1)Cc1ccccc1 4073119 MSYWYAYYBZLWRC-BJKOFHAPSA-N 373.581 5.683 0 40 FKAB biogenic O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc2ccccc12 5083861 KKSGEEQRKJPUHY-UHFFFAOYSA-N 369.449 5.468 0 40 FKAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459521 UCSZGYGQSUYXCR-RBBKRZOGSA-N 357.432 5.630 0 40 FKAB CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1 5477720 GLYFRAIVXQXWND-UWJYYQICSA-N 365.583 5.669 0 40 FKAB O=C(COc1ccccc1F)Nc1cc(Cl)ccc1Oc1ccccc1 6221190 CZSJQAXHZDCDFL-UHFFFAOYSA-N 371.795 5.289 0 40 FKAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(C(C)(C)C)cc1 7904193 WMVRPYRCEOUPSI-CYBMUJFWSA-N 369.534 5.151 0 40 FKAB CC[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(C)cc1 8162333 FSBODODCROYYRQ-GOSISDBHSA-N 357.544 5.355 0 40 FKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(F)cc1 8850033 NHHNKVYYJDRBSQ-AWEZNQCLSA-N 353.466 5.196 0 40 FKAB Cc1nc2c(ccc3nc(NC(=O)Cc4ccc(C)c(C)c4)sc32)s1 10702631 QTFQVLJZRACDIV-UHFFFAOYSA-N 367.499 5.012 0 40 FKAB O=C(c1ccccc1)c1c(-c2ccccc2)nc2sc3c(n12)CCCC3 12600738 CSTBKCHBLGJXIF-UHFFFAOYSA-N 358.466 5.173 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCC(Cc2ccccc2)CC1 13709132 MLHKBRORYLOQEZ-IBGZPJMESA-N 373.496 5.088 0 40 FKAB CC(C)=Cc1oc2c(Cl)cc(Cl)cc2c1N1C[C@H](C)O[C@H](C)C1 13809802 ZYZVKZRWFQTTBI-TXEJJXNPSA-N 354.277 5.776 0 40 FKAB C[C@@H]1CCc2c(-c3n[nH]c(=S)n3[C@H](C)c3ccccc3)csc2C1 13950204 ANPFXFLVVYEHRV-CHWSQXEVSA-N 355.532 5.403 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 20458014 ZNMKKVFNFKQPQS-QFBILLFUSA-N 359.897 5.300 0 40 FKAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20632994 BYNNGUURCVJZRQ-HXUWFJFHSA-N 358.485 5.525 0 40 FKAB CCOc1ccc(OCC)c(NC(=O)c2sc3ccccc3c2C)c1 32777998 FMKFLHQWSFWJPS-UHFFFAOYSA-N 355.459 5.259 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC(C)C)c1ccccc1 44904215 SEAUTFUALNHONZ-RBUKOAKNSA-N 359.897 5.401 0 40 FKAB Cc1cc2cc(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)ccc2[nH]1 48252419 LXIFLLAIZBXPJP-UHFFFAOYSA-N 366.490 5.104 0 40 FKAB CN(CCOc1ccccc1)C(=O)Nc1ccccc1SC1CCCC1 58089613 VQMJVEIJBFFOCQ-UHFFFAOYSA-N 370.518 5.264 0 40 FKAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 59488504 ASDUVHATTUBLGK-HXUWFJFHSA-N 366.823 5.559 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230091 RMPVDRYTSSKNJM-YDYPUGOESA-N 363.844 5.074 0 40 FKAB O=C(c1ccc(Oc2ccccc2)cc1)c1c(F)c(F)c(F)c(F)c1F 95917299 GHOFTRKETPGEFT-UHFFFAOYSA-N 364.269 5.405 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc2ccccc12 107674778 OYNAMXPCZXHMRS-UHFFFAOYSA-N 364.876 5.736 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCSc3ccccc3)ccc21 197762875 DKBSVOMNUMEHLB-UHFFFAOYSA-N 374.509 5.935 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223467140 XHMPBHWWWHRYSH-PZJWPPBQSA-N 353.506 5.264 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1 225485656 QDAHNLLRHGELHE-NRFANRHFSA-N 368.546 5.754 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F 225675038 PUINLSPFNODSDM-UHFFFAOYSA-N 363.379 5.165 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 225860290 PSGTZXRZLVPGAF-OAQYLSRUSA-N 373.924 5.247 0 40 FKAB COC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 226324957 YCWPZJLXOQUDGH-UHFFFAOYSA-N 361.224 5.512 0 40 FKAB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cn1 253369879 JHTFPRFKUMCPIU-RVNBKRMPSA-N 368.565 5.207 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 408585444 DUFIPBZHGIIWFH-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccccc3Cl)cc2)c1C 409110279 AVJZHLIYKMLQKM-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cl)cc1 1385042 GKSQBAXVMLEWAT-UHFFFAOYSA-N 361.150 5.336 0 40 FKAB Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc3ccccc23)cc1 2064089 RJFJYIMLBKXCOF-UHFFFAOYSA-N 351.449 5.995 0 40 FKAB COc1cc2ccccc2cc1C(=O)OCc1c(Cl)cccc1Cl 3337936 REQLPVDHMQYDEK-UHFFFAOYSA-N 361.224 5.512 0 40 FKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 4854136 UZKJZKFBYKRLEY-LADGPHEKSA-N 370.452 5.246 0 40 FKAB COc1ccc(COC(=O)/C(=C/c2cccs2)c2cccs2)cc1F 4924841 MQHCGBFRCVAEKI-RVDMUPIBSA-N 374.458 5.241 0 40 FKAB Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc4c(c3)OCO4)nc12 5694727 SSLATJAKRCCSGL-HNQUOIGGSA-N 360.196 5.146 0 40 FKAB O=C1CS[C@H](/C=C/c2ccccc2)N1c1cc(Cl)ccc1Cl 5870236 AYNDJIQANFPQDL-RCMYXZNBSA-N 350.270 5.113 0 40 FKAB O=C(OCc1ccc(F)cc1)/C(=C/c1ccc(F)cc1)c1cccs1 7736401 SZRGHVGCFQQGJX-LDADJPATSA-N 356.393 5.310 0 40 FKAB Cc1cc(C)c(NC(=O)Cc2coc3ccc4ccccc4c23)c(Cl)c1 7803517 OCFDXVUINUGCCF-UHFFFAOYSA-N 363.844 6.037 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)ccc2c1 8341883 BWXNQYFJBZBKOH-QGZVFWFLSA-N 374.484 5.191 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 9141806 RONJOZBUAMERMH-UHFFFAOYSA-N 355.787 5.909 0 40 FKAB Cc1c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc2n1C 9355466 KQZADWOKYZJWSG-DEOSSOPVSA-N 366.464 5.232 0 40 FKAB FC(F)(F)c1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12523873 DRQONVSNWURWPA-IBGZPJMESA-N 365.358 5.695 0 40 FKAB Cc1cnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1 13148960 SWPCWLRJZOGLOD-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(-c3ccccc3)no2)c1 27664444 MJITVHKCICCQRM-MRXNPFEDSA-N 364.445 5.179 0 40 FKAB Cc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 29063727 KTYPFDYCBITESI-HNNXBMFYSA-N 368.864 5.113 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2cccc(OC3CCCC3)c2)c1 32771732 UAGPNJNCKMHCJB-KRWDZBQOSA-N 352.478 5.064 0 40 FKAB Cc1ccc(C)c(-c2cc3c(SCc4ccccc4F)nccn3n2)c1 38486622 NUIVRXSMCWREMN-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 58429305 UVDKLLVBUOHGPL-VNSKZABOSA-N 357.460 5.076 0 40 FKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccccc1 59055542 PICADURCOWCGPE-UHFFFAOYSA-N 363.457 5.285 0 40 FKAB COc1ccc([C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 67319274 OGENAHRLWVRHKR-XMMPIXPASA-N 371.480 5.093 0 40 FKAB Cc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccccc1F 67341623 FNLJSSRLEXRSHJ-UHFFFAOYSA-N 370.840 5.159 0 40 FKAB O=C(Nc1ccc(-c2ccccc2)cc1)N(C[C@H](O)c1ccccc1)C1CC1 75093678 OHPBEYHSPALWQB-QHCPKHFHSA-N 372.468 5.084 0 40 FKAB COc1c(C)c(C/C=C(\C)CC/C=C(\C)CO)c(OC)c2ccccc12 82048455 DRXBPDNOLVKFGG-DQKQXWASSA-N 354.490 5.373 0 40 FKAB Cc1cc2occ(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C 108914202 PSGPBLAJFRQSBM-YLAKUSLOSA-N 353.506 5.348 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCCc1ccc(F)cc1 219126927 KXYMWXKPIDJKRF-UHFFFAOYSA-N 361.460 5.097 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 223451187 PFZJBMDNNHUQLG-KRWDZBQOSA-N 359.897 5.138 0 40 FKAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1cc(C)cc(C)c1C 224612817 IVNVZPFXSVFNDJ-UHFFFAOYSA-N 369.505 5.072 0 40 FKAB CC(C)C[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1 225495103 KCCCKYIDTUOKIQ-FQEVSTJZSA-N 356.535 5.548 0 40 FKAB COc1c(Cl)cc(-c2nc3ccc(-n4cccc4)cc3o2)cc1Cl 226249077 WJGTZRJNPYWQBB-UHFFFAOYSA-N 359.212 5.601 0 40 FKAB O[C@H](c1cccc(Br)c1)c1ccc2c(c1)oc1ccccc12 226296583 UJBJNCHRMVVGTR-LJQANCHMSA-N 353.215 5.430 0 40 FKAB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)o1 253528869 ZMDCSLTVAOWENP-TVLLXAJQSA-N 368.561 6.375 0 40 FKAB biogenic Cc1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 408619959 DYPJHSRYHMCCDH-UHFFFAOYSA-N 372.679 5.590 0 40 FKAB Cc1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 862435 BHVHFGQWPQCCPR-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB CC1=CC(C)(C)N(C(=O)Nc2cccc3ccccc23)c2cc(C)c(C)cc21 986324 ZVXVUGCTLBAJOE-UHFFFAOYSA-N 370.496 6.691 0 40 FKAB CCCCCCSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3 1802134 BSDHUXVMDJRKRW-ZDUSSCGKSA-N 365.568 5.043 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2C)c1 2324007 XYRUNCXABVNZLS-UHFFFAOYSA-N 351.519 5.380 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 2972372 YKRDHVWBMSMVOB-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)s1 4134705 NTHAPYNSCGBECF-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(F)c1 4487820 GWMWPOPBGFABAF-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB CC(C)C(NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)C(C)C 4543747 ZJYUZLXSHUCCFL-XMHGGMMESA-N 355.909 5.677 0 40 FKAB Cc1ccc2ccccc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 4903235 LQMBIHLHLZTQQO-UHFFFAOYSA-N 372.512 5.041 0 40 FKAB FC(F)(F)c1ccccc1NC(=S)Nc1ccccc1C(F)(F)F 5375218 YHSJEVWWNLSQDA-UHFFFAOYSA-N 364.314 5.533 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 5682198 GVYHWUHEAREEBJ-UHFFFAOYSA-N 352.261 5.443 0 40 FKAB Cc1cc(C)c2nc(SCC(=O)NCCC3=CCCCC3)cc(C)c2c1 6330073 PXNCOQGETTXBEH-UHFFFAOYSA-N 368.546 5.259 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(C2CC2)nc2ccccc12 6583471 ILGCMPJGICFBGF-UHFFFAOYSA-N 363.417 5.113 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 7670840 VIROULGHEKTFST-UHFFFAOYSA-N 350.399 5.224 0 40 FKAB CCc1ccc(Nc2nnc(SCc3nc4ccccc4o3)s2)cc1 8191427 AJCZMWUSKDSFQG-UHFFFAOYSA-N 368.487 5.278 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1Nc1ccccc1 8231100 VTIUJQSEOUUQAR-UHFFFAOYSA-N 369.424 5.646 0 40 FKAB CC(C)Oc1ccc([C@H](N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9054207 PCQWAAMGLVFKII-RBBKRZOGSA-N 353.506 5.110 0 40 FKAB Cn1c(SCc2ccccc2Cl)nnc1-c1cc2ccccc2o1 9306150 PSYKPGYKIAQWPH-UHFFFAOYSA-N 355.850 5.174 0 40 FKAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(F)c(Cl)cc1Cl 10287412 FSHLRSRCLHIDDP-UHFFFAOYSA-N 369.248 5.014 0 40 FKAB Clc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(Cl)c1 12523848 YBAHOOGEMCUKBJ-LJQANCHMSA-N 366.251 5.983 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 13709326 AWQGMSIJOKCBPG-ZDUSSCGKSA-N 359.347 5.265 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc(C)c1Cl 14400676 RQRJMILYGHQYKD-HNNXBMFYSA-N 361.869 5.150 0 40 FKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)oc2ccccc12 15833272 VQMOUXKDTOQUJX-ZDUSSCGKSA-N 368.502 5.601 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1cccc(Cl)c1 17314611 DEXARCFNYFLGQR-HNNXBMFYSA-N 353.897 5.052 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 20453647 VMBAYMCLWUABRM-SFTDATJTSA-N 353.506 5.364 0 40 FKAB Fc1ccccc1COc1ccccc1CNC12CC3CC(CC(C3)C1)C2 22073733 LMHXNHGJKIGNMK-UHFFFAOYSA-N 365.492 5.463 0 40 FKAB COc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 22258038 VVBSOLBNANQNEL-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)C[C@H](C)O3)cc1 30836278 PGHAVLRCECLPSD-HJPURHCSSA-N 370.452 5.090 0 40 FKAB Cc1cc(NCc2ccccc2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40216982 JGHMRBNERVANNG-UHFFFAOYSA-N 362.864 5.279 0 40 FKAB COc1ccc(C)cc1[C@@H]1CC(=O)[C@]2(C=C1C)C(C)=N[C@@]1(C)CCCC[C@H]12 85408689 ZGEKFEQZCLSBIE-OLOOCYQZSA-N 365.517 5.416 0 40 FKAB Cc1ccc(/N=c2/scc(-c3ccccc3F)n2C2CC2)cc1Cl 105756387 BVMVJEJQIZWCBX-ZBJSNUHESA-N 358.869 5.885 0 40 FKAB C[C@]12CC[C@H]3[C@@H](C=C[C@@]45C[C@H](O[C@@H]6CCCCO6)CC[C@]34C5)[C@@H]1CCC2=O 118936522 DVWMKPXIAINHCS-UFBCGKFJSA-N 370.533 5.040 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224453747 YJONAOBHOAHPFU-QFIPXVFZSA-N 359.469 5.351 0 40 FKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COC(C)C 224721353 QYXCJCNUTUTYTR-UHFFFAOYSA-N 355.478 5.188 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1Cl 225670445 FXRYKFSVSQBHTK-UHFFFAOYSA-N 367.917 5.443 0 40 FKAB CCC[C@H]1O[C@H]2c3cc(C(C)(C)C)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257255972 KJPNDKCXUBVDEY-FAJBIJEISA-N 360.494 5.102 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408575704 PPKMGGKGWIBWEE-UHFFFAOYSA-N 359.513 5.726 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408993964 DXXONJSEWHPLIJ-LLUOTROESA-N 363.457 5.080 0 40 FKAB Cc1c(Cl)cccc1NCc1cccc(OCc2cccc(F)c2)c1 409113160 GXWPVZHEHQCGHX-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=c1oc2ccccc2cc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 1252529761 ZROXGUOYLHJMER-UHFFFAOYSA-N 366.376 5.177 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2ccccn2)cc1 1085565 PZRLTGLAPKAWCJ-UHFFFAOYSA-N 354.862 5.280 0 40 FKAB Cc1ccc2oc(-c3ccco3)c(Oc3ncnc4ccccc34)c(=O)c2c1 1987888 UVXVVFROTHZHBO-UHFFFAOYSA-N 370.364 5.097 0 40 FKAB FC(F)Sc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 3337483 JTCKHOQYGMGSSN-INIZCTEOSA-N 364.486 5.365 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccnc1 3663327 NFVPIYJAAIJMHH-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)NC2CCCCC2)C1(C)C 3765649 RDHFSJCOCFEYPV-NQIIRXRSSA-N 367.537 5.238 0 40 FKAB Cc1ccc(C2=NN[C@@](C)(c3ccc(C4CCCCC4)cc3)S2)cc1 3772555 NFJLLURVSWCMMA-JOCHJYFZSA-N 350.531 5.914 0 40 FKAB CCOC1=CC2=CC[C@@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4026806 PFOMZLRVGKNKCE-UVGIATQHSA-N 370.533 5.555 0 40 FKAB biogenic CSc1nc(Sc2ccc(F)cc2)c2sc3ccccc3c2n1 4092643 QCBXBTXVZIUMJU-UHFFFAOYSA-N 358.488 5.857 0 40 FKAB CSc1ccccc1C(=O)Nc1nc2c(Cl)ccc(Cl)c2s1 4517452 KFOMJNLDULORKI-UHFFFAOYSA-N 369.298 5.577 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 4540000 BHYWYIWEYPDZIN-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccccc1Cl 4678485 LLDYQJNIEWOGNF-UHFFFAOYSA-N 373.887 6.020 0 40 FKAB c1ccc([C@@H]2C3=C(CCCC3)N3c4ccccc4N[C@@]34CCCC[C@H]24)cc1 4732970 NMMJJAVXQBYOHO-ZPZUNKDASA-N 356.513 6.431 0 40 FKAB Cc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 4733604 MOSCLHWZEGPAFL-UHFFFAOYSA-N 371.440 5.133 0 40 FKAB CCOc1ccc(-c2csc(NC(=O)c3cccc(SC)c3)n2)cc1 5222549 REVDBCRSUSCWNT-UHFFFAOYSA-N 370.499 5.183 0 40 FKAB COc1cccc(OCCCCCCN2CCCC[C@H]2c2cccnc2)c1 6624320 NFDQBOHSSBVHTG-QHCPKHFHSA-N 368.521 5.257 0 40 FKAB biogenic Clc1ccc(NC(=C(c2ccccc2)c2ccccc2)n2ccnc2)cc1 6995485 AMDUMGNNBPPWNC-UHFFFAOYSA-N 371.871 6.023 0 40 FKAB Cc1cccc(Oc2ccc(NC(=O)c3c(C)noc3C(C)C)cc2)c1 7279652 LTOJWONOFCVOCQ-UHFFFAOYSA-N 350.418 5.459 0 40 FKAB Cc1c(Cl)cccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8278903 BCERKQGRNLAMBQ-UHFFFAOYSA-N 363.166 5.965 0 40 FKAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc(Cl)ccc1Cl 9169339 VKPRIJDTSQMTPT-UHFFFAOYSA-N 374.183 5.042 0 40 FKAB O=C(c1ccc(F)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235604 GAQMQAPLJBDUHR-UHFFFAOYSA-N 374.868 5.109 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 11473502 LGMZOBFZJOLOPR-OAHLLOKOSA-N 366.436 5.566 0 40 FKAB Cc1conc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)oc1C 11689871 YFWYVQBULZXROI-UHFFFAOYSA-N 351.189 5.111 0 40 FKAB CCCc1cc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)sc1C 12620694 ICHZNZFUFNYPSZ-UHFFFAOYSA-N 370.543 5.617 0 40 FKAB Cc1ccc(-c2ccn(-c3cccc(Br)c3)c(=S)n2)cc1 16311145 XWIPOTJVXJFASG-UHFFFAOYSA-N 357.276 5.340 0 40 FKAB O=C(c1ccccc1)c1cnc(N(c2ccccc2)c2ccccc2)s1 16477066 JPYXQHPWRVQZPJ-UHFFFAOYSA-N 356.450 5.844 0 40 FKAB C[C@@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1Oc1ccccc1 17074354 CYJSXCZHUMSMTN-CQSZACIVSA-N 360.910 5.704 0 40 FKAB Clc1ccccc1NCc1cccc(OCCOc2ccccc2)c1 19738221 DXWNKJMHFYRQJE-UHFFFAOYSA-N 353.849 5.410 0 40 FKAB c1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 20530527 ZQBDISDSNWHZML-UHFFFAOYSA-N 373.481 5.105 0 40 FKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccc(F)cc1F 24876959 PWQCSPCESTWGQW-OAQYLSRUSA-N 363.363 5.230 0 40 FKAB O=C(Nc1ccc(OCc2cccs2)cc1)c1ccc(F)cc1Cl 32930525 OORDRJQTIPPONU-UHFFFAOYSA-N 361.825 5.372 0 40 FKAB CC(C)c1ccc(OCC(=O)N(Cc2ccsc2)Cc2ccco2)cc1 42382054 IAUBSXDHTQGXEE-UHFFFAOYSA-N 369.486 5.072 0 40 FKAB O=C(/C=C/c1c(F)cccc1F)N[C@@H](c1ccc(F)cc1)c1cccs1 58368305 OUAAVCBQXZPYRU-CFGKVWFZSA-N 373.399 5.084 0 40 FKAB Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1Cl 71760881 YEAGXBLAVQBQRH-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CCCCN1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214822 QSSFKIDHSJKRJN-GOSISDBHSA-N 361.530 5.170 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219332060 KBOKODJQVZUUDB-VXKWHMMOSA-N 353.506 5.345 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222920411 AARBOOIPUOZYLG-FQEVSTJZSA-N 353.506 5.651 0 40 FKAB Cc1ccc(C)c(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 223483806 GSZVKZJMGKVBGA-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225653199 FWGZFHMNQFGLTK-JOCHJYFZSA-N 363.542 5.796 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225665641 SWAQUYDFJCLNTF-HTAPYJJXSA-N 361.526 5.344 0 40 FKAB CC(C)Oc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 408572881 BKTHLULVGZPSSK-VQHVLOKHSA-N 350.245 5.433 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 408581316 WCQBHBGLDGLPOU-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB CCCCOP(=O)(Cc1ccc(Cl)cc1Cl)OCCCC 1737465 QVSBQAFZRFNEAX-UHFFFAOYSA-N 353.226 6.320 0 40 FKAB O=C(NC(Sc1ccc(Cl)cc1)=C(Cl)Cl)c1ccccc1 1793996 BIZZEDJWZXHVRK-UHFFFAOYSA-N 358.677 5.466 0 40 FKAB Cc1ccc(C(=O)Oc2c(C(=O)c3ccccc3)sc3ccccc23)cc1 2278440 LTYLCZTYXSYSSP-UHFFFAOYSA-N 372.445 5.660 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1ccccc1 3305974 FGFJRLSAMPYWTP-UHFFFAOYSA-N 356.347 6.016 0 40 FKAB Cc1sc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 3308307 XAMBDMKNIKNULO-UHFFFAOYSA-N 368.458 5.224 0 40 FKAB CCc1ccc(C(=O)CSc2nnc(Nc3ccccc3C)s2)cc1 3309283 WKPLCVHPIWRLCV-UHFFFAOYSA-N 369.515 5.128 0 40 FKAB CCn1c(-c2ccccc2)c(-c2csc(N3CCCC3)n2)c2ccccc21 3312716 VPIGDJPZDULAOG-UHFFFAOYSA-N 373.525 6.052 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(Cl)cc1F 3450619 RCPXNNSCTXYJLA-UHFFFAOYSA-N 353.780 5.560 0 40 FKAB Cc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655348 UEJNQQYNKUYSJG-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB S=C(Nc1ccccc1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 4255719 JNPKQUJIPMONQG-UHFFFAOYSA-N 369.559 5.420 0 40 FKAB Brc1ccc(-c2cn3cc(Cc4ccccc4)sc3n2)cc1 5020500 VPSJKEKUEYVGLG-UHFFFAOYSA-N 369.287 5.416 0 40 FKAB aggregator Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 5276843 PFCVPDHSSAWHDG-ZTFGCOKTSA-N 355.478 5.313 0 40 FKAB Cc1cc(C)c2nc(NC(=O)COc3ccccc3C(C)C)sc2c1 6272815 IVXOPYMLTQNARH-UHFFFAOYSA-N 354.475 5.054 0 40 FKAB CC(C)c1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 6599070 FXIRTIFFPLEORY-UHFFFAOYSA-N 359.882 5.071 0 40 FKAB CCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 6657329 SWXTZLJOGVPBHP-RVDMUPIBSA-N 359.472 5.186 0 40 FKAB Cc1cc(C)c2c(CC(=O)N(Cc3ccccc3)Cc3ccco3)coc2c1 6809852 YSXOTBGXQFGULV-UHFFFAOYSA-N 373.452 5.414 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1nc2c(ccc3ccccc32)s1 6864919 IZXZQOLPFVPOHP-UHFFFAOYSA-N 353.834 5.747 0 40 FKAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1-c1ccccc1 7146418 XNAOPDXZVMUXMU-UHFFFAOYSA-N 351.446 5.365 0 40 FKAB COc1ccc(Cl)c2sc(NC(=O)c3ccc4ccccc4c3)nc12 7573148 XMJJDIRUYGWHCN-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB CC(C)Sc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 8041278 HCUAJFOVHNISTF-UHFFFAOYSA-N 361.510 5.707 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)NCC3(c4ccccc4)CCC3)o2)cc1 12884730 RUDMRGUFDHHIQF-UHFFFAOYSA-N 373.452 5.001 0 40 FKAB O=C(Nc1cccc2ccccc12)c1ccccc1OCc1ccccc1 14035461 RVMGVPFQJPONMS-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB Cc1ccc(-c2noc(CN[C@@H](Cc3ccccc3)c3ccccc3)n2)cc1 15487576 ISFQIUAGIVBADV-QFIPXVFZSA-N 369.468 5.119 0 40 FKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1 17075012 HKLSZBNWXXFKHQ-UHFFFAOYSA-N 365.187 5.750 0 40 FKAB Clc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1Cl 19292627 VHOPMNVOBLUBFU-CQSZACIVSA-N 369.342 5.585 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1SC 44903513 LWTUQESGXDUSED-SFHVURJKSA-N 351.471 5.358 0 40 FKAB C[C@H](NCc1ccc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 57801148 NPCFOCFPUPOJHX-KRWDZBQOSA-N 359.498 5.452 0 40 FKAB Clc1ccc(-c2nc(CSc3nnc(-c4ccccc4)o3)c[nH]2)cc1 84569237 LAIHKAICSQORKW-UHFFFAOYSA-N 368.849 5.072 0 40 FKAB Cc1cnc([C@H](NCc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1 95961935 ORIMVUTWWMXYLA-LJQANCHMSA-N 356.466 5.400 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccccc2)C[C@H](c2ccco2)C1 100141944 YFJCWIGMZAHKFW-QMHKHESXSA-N 356.425 5.909 0 40 FKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1cccc2ccccc12 214951140 PBSRIIRNORQVHY-FCDUUAIVSA-N 371.461 5.633 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222996085 CLPSOAZZMLOGCG-SBUREZEXSA-N 365.517 5.163 0 40 FKAB CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223074068 FOUVNQOCSDIJES-QHCPKHFHSA-N 365.517 5.300 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)Cc1ccccc1 223276356 OOFINUOFNMKKGC-OAQYLSRUSA-N 361.485 5.135 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224467456 ZPFCCMPXKIATFR-FQEVSTJZSA-N 373.452 5.999 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2-c2ccccc2C)cc1 408724540 LRCJCOZNVOUHST-UHFFFAOYSA-N 373.500 5.219 0 40 FKAB Clc1cc(Br)cc2c1nc1scc(-c3ccccc3)n12 632339 FUYCVUQXMJMIDB-UHFFFAOYSA-N 363.667 5.632 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 861929 QKIVYLQNUXRQHR-UHFFFAOYSA-N 355.359 5.476 0 40 FKAB O=C(c1ccccc1)N1c2ccccc2C=C[C@H]1c1c[nH]c2ccccc12 1023837 MRWHHLJKEJMCLJ-QHCPKHFHSA-N 350.421 5.583 0 40 FKAB O=C(CSc1ncnc2c1oc1ccccc12)c1ccc(Cl)cc1 2414608 VBFYLYYHUGLTSW-UHFFFAOYSA-N 354.818 5.004 0 40 FKAB Cc1cccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1C 2735629 SQABVTZFRMMFJF-UHFFFAOYSA-N 356.825 5.367 0 40 FKAB COc1ccccc1/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 3177680 HTBDVWPKYNAQOZ-SDNWHVSQSA-N 353.421 6.188 0 40 FKAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1 3284261 CKYQVRVRDASMJU-UHFFFAOYSA-N 368.264 5.220 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1 3346840 KEFKCMSJUQVIAG-UHFFFAOYSA-N 367.901 6.360 0 40 FKAB O=C(Oc1c(Cl)cc(Cl)c2ccccc12)c1ccc(Cl)cc1 4921600 NZNUSROEINRBHP-UHFFFAOYSA-N 351.616 6.019 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccc(C)cc3)nn2)cc1 5014186 SGYLNLFPTPZDKI-UHFFFAOYSA-N 354.428 6.234 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCCCC2)cc1 5245110 HTSUWSIKHPVHSD-UHFFFAOYSA-N 374.484 5.238 0 40 FKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(C)C)c3ccccc32)c1 6415216 WLUPFDOYVMUXJA-UHFFFAOYSA-N 363.501 5.991 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(/C=C/c2ccccn2)c1 6652278 JPVQEAHFYLPBSG-BQYQJAHWSA-N 372.512 5.797 0 40 FKAB CCCCN1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 8916199 ZHERBKSTHCIPMD-QHCPKHFHSA-N 356.469 5.779 0 40 FKAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccccc2C)CC3=O)c1 10339426 NLHYRSNAYJNYCO-QGZVFWFLSA-N 357.457 5.058 0 40 FKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc2ccccc12 11326490 VWVNJQCHFIHRJS-UHFFFAOYSA-N 360.388 5.205 0 40 FKAB Cc1ccc2c(=O)c(O)c(-c3ccc(OCc4ccccc4)cc3)oc2c1 12462628 WSYFPEGOIIMZQZ-UHFFFAOYSA-N 358.393 5.053 0 40 FKAB biogenic,in-vitro Cc1cc(OCc2nc(-c3ccccc3C)no2)c(C)cc1Br 12654370 RYKNSIYYWJSFBY-UHFFFAOYSA-N 373.250 5.003 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccc(F)c(F)c3)ccc2c1 12739870 POYDNZWMLQDODI-ZIAGYGMSSA-N 369.411 5.108 0 40 FKAB Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1Cl 13284528 HPJLATUXJWJVIX-UHFFFAOYSA-N 365.263 6.718 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 13675611 DOFDBMQFKIJJTP-UHFFFAOYSA-N 361.510 5.526 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)o1 13688113 HKTXXPVZRAWXCN-URXFXBBRSA-N 372.468 5.954 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 13710252 GDDOCCSBMIBZGA-SFHVURJKSA-N 361.441 5.502 0 40 FKAB Cc1ccc(-c2nn(Cc3ccccn3)c(-c3ccc(C)cc3)c2C)cc1 17073216 IBTNJCAEDBHRDY-UHFFFAOYSA-N 353.469 5.586 0 40 FKAB Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(Cl)s1 19851638 SUJVVLKQQCGJNJ-UHFFFAOYSA-N 370.286 5.068 0 40 FKAB O[C@H](CNCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 19872533 ZNGSTGKJRPQKLQ-GOSISDBHSA-N 362.256 5.077 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 20105106 DTRSFYDGWCQNLS-RTBURBONSA-N 361.938 5.787 0 40 FKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20457798 PBEITPOFZIMXBI-UHFFFAOYSA-N 368.546 5.283 0 40 FKAB Cc1cc(C)cc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)c1 20672096 BLDJYURLTSIRIY-UHFFFAOYSA-N 359.473 5.388 0 40 FKAB Cc1ccc(-c2c(C(F)(F)F)nn3c(NCC(C)C)cc(C)nc23)cc1 21799461 CBPUQSDGKOMBTE-UHFFFAOYSA-N 362.399 5.100 0 40 FKAB CC(C)c1noc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 24759259 AFLJTQAPVBLPNA-LBPRGKRZSA-N 372.494 5.394 0 40 FKAB CC(=O)Nc1cccc(NC(=O)c2sc3cccc(C)c3c2Cl)c1C 25600251 JXQWVLILEANXGV-UHFFFAOYSA-N 372.877 5.382 0 40 FKAB C[C@@H]1CN(C(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)C[C@@H](C)O1 28629224 SWAITQLCDNGXRS-VXGBXAGGSA-N 365.926 5.102 0 40 FKAB COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33562121 RAEVJWCABIVQLE-DSDLTIFZSA-N 359.425 5.065 0 40 FKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1Cl 48325319 QVIMNIXQDLVYSF-UHFFFAOYSA-N 367.257 5.579 0 40 FKAB CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3cccs3)oc2C)cc1 48341470 UUFOMYCIYZSALC-IBGZPJMESA-N 368.502 5.447 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)[nH]n1 57412330 VDGORPHXZBOWQU-UHFFFAOYSA-N 365.742 5.001 0 40 FKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3F)n2)s1 72375109 SGRWESBHLAUCLO-SFHVURJKSA-N 368.481 5.066 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 90768786 KMOZZJKTWNSBHG-CSAFWQBTSA-N 354.622 7.804 0 40 FKAB Cc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100846460 ORCYAFOFQNFKSD-JSZXIJHASA-N 359.513 5.780 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C 118926161 BEDPXTVFPSLUPA-HXNVYPELSA-N 372.593 6.401 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(Cl)ccc2Cl)cc1 222873926 OQTFVRMAYIKMJH-KRWDZBQOSA-N 352.261 5.352 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1C(C)C 223268830 BMYGDGJDMCQYML-DLBZAZTESA-N 371.546 5.485 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225906366 IBTCWRYLRVITDA-JOCHJYFZSA-N 372.509 5.194 0 40 FKAB C[C@H]1C[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)c(F)c2)OC1=O 1547139906 IAUIVYMRTAWCOT-RMLVOYDJSA-N 353.220 5.540 0 40 FKAB CCCO[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 2049238467 XXOMRYJCPZNLCW-NVNANWAMSA-N 374.565 5.488 0 40 FKAB CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCC)cc12 709106 WZNVBVBBBVPWAS-UHFFFAOYSA-N 357.837 5.168 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 824705 AKEDNCQZOACQRI-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc2c(C)cc(SCc3cc(=O)[nH]c4ccccc34)nc2c1C 923677 IAZPPVMYOQUGOX-UHFFFAOYSA-N 360.482 5.294 0 40 FKAB Cc1nn(-c2ccccc2)c2nc3ccc(Cl)cc3c(-c3ccccc3)c12 1860696 KGOHKGRCZPJHQC-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 1909427 CVVNPJHYHSWOOW-UHFFFAOYSA-N 366.244 5.203 0 40 FKAB CCCN(CCC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2255094 NCJBDVHUADABRX-UHFFFAOYSA-N 368.550 5.478 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 2764127 JAQKTBOGMWXLHG-YRNVUSSQSA-N 362.300 5.621 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1Cc1ccccc1 3407082 IIDZLTJKBJXSAP-UHFFFAOYSA-N 368.436 5.493 0 40 FKAB C(=C1\CCC[C@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1)\c1ccccc1 3905128 ZOJBDGHYJINECO-ORIBZPJRSA-N 364.492 6.488 0 40 FKAB CCCCN(CCCC)CCCOc1ccccc1Cc1ccccc1 4411293 INRONXVLOVLVMW-UHFFFAOYSA-N 353.550 5.949 0 40 FKAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459499 UCSZGYGQSUYXCR-IRLDBZIGSA-N 357.432 5.630 0 40 FKAB Cc1ccc(-n2ncc3c(SCc4cc(C)ccc4C)ncnc32)cc1 5477664 LZWPDSLNHDIDOM-UHFFFAOYSA-N 360.486 5.033 0 40 FKAB COc1cc(C=O)cc(Br)c1OCc1ccc2ccccc2c1 5661114 FFOJYIJFYMIBEG-UHFFFAOYSA-N 371.230 5.002 0 40 FKAB O=C(Cc1cccs1)Nc1ccc(Cc2nc3ccccc3s2)cc1 6553544 UOIINAWSQHIKGA-UHFFFAOYSA-N 364.495 5.130 0 40 FKAB FC(F)(F)c1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1 6709936 ACBADAOTWYSELU-UHFFFAOYSA-N 371.387 6.121 0 40 FKAB COc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl 6883652 BSQOMAGUDLRLCP-UHFFFAOYSA-N 368.304 5.327 0 40 FKAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2cccc(Cl)c2)cc1 7275434 XUXYJLOLASDGFC-UHFFFAOYSA-N 370.880 5.010 0 40 FKAB Brc1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1 7524950 PYBWETNUAJPKOC-UHFFFAOYSA-N 362.311 5.912 0 40 FKAB COc1ccc2oc(C(=O)Nc3c(Cl)cccc3Cl)c(C)c2c1 9499544 CDFYLNMXXDGRTD-UHFFFAOYSA-N 350.201 5.309 0 40 FKAB COc1cccc(NC(=O)[C@@H](Oc2ccccc2Cl)c2ccccc2)c1 11298534 ZBWVSFSPKGBNTK-FQEVSTJZSA-N 367.832 5.107 0 40 FKAB C/C=C(C(=C/C)\c1ccc(OC(C)=O)cc1)/c1ccc(OC(C)=O)cc1 12418175 YWLLGDVBTLPARJ-CMDWGMEOSA-N 350.414 5.044 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@@]1(CCC[C@H](C)C1)O3 13655093 JXNJBNZHPPYGOK-PSLXWICFSA-N 368.473 5.358 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1cccc(OCc2ccccc2)c1 15960589 CQZQCTNMUPCSCR-UHFFFAOYSA-N 359.469 5.643 0 40 FKAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 16282854 YNEASHGFHPAAQY-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 16362384 PROZMOMACONBQO-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCCC1 20039508 RORDGGVSJFDZNK-NRFANRHFSA-N 371.546 5.179 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCc3ccccc32)cc1 20110500 UMOZFRDLNMMOEQ-UHFFFAOYSA-N 362.860 5.155 0 40 FKAB CC[C@H](C)Nc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12 21799441 IPMGUIWLJLUNGN-LBPRGKRZSA-N 362.399 5.242 0 40 FKAB c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)s3)o2)cc1 22114948 QWKSMDGOKDTCLG-UHFFFAOYSA-N 372.409 5.182 0 40 FKAB CC(=O)Nc1cccc([C@@H](C)NCc2ccc(-c3ccc(F)cc3)s2)c1 28925017 REXMAPMKBJMTNR-CQSZACIVSA-N 368.477 5.363 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 30852144 CNDJWLFASXLDNQ-QGZVFWFLSA-N 371.999 5.393 0 40 FKAB COc1cccc(Nc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn23)c1 35616521 SRGFUYQHLJICPS-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB FC(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2cccs2)n1 36613760 XLVQQZGHTBRUIX-UHFFFAOYSA-N 351.809 5.408 0 40 FKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39759704 VSKGIFKUFNYWFH-UHFFFAOYSA-N 370.924 5.314 0 40 FKAB CCCCOC(=O)c1ccc(NC(=S)Nc2cccc(SC)c2)cc1 71761325 HDDOYHRDPBWKHF-UHFFFAOYSA-N 374.531 5.174 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 72212108 JRMUXTAIXITUFU-IBGZPJMESA-N 368.477 5.123 0 40 FKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 106960705 GWNXSWPOIVCZJI-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 216942613 PHXFPVQJRWLYMM-UHFFFAOYSA-N 351.858 6.092 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C 223503466 HUYFSNFOPHLJLL-HNNXBMFYSA-N 364.316 5.729 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCC 224725318 AMOZZOXSEPQVAD-UHFFFAOYSA-N 355.478 5.271 0 40 FKAB COc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1Cl 225348018 BMMDLQWZDKOTGM-UHFFFAOYSA-N 358.652 5.227 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(C)c(C)c1 225837534 XRBQUYZJCNYYCG-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB CC(C)Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408991933 RMXIPRBDKSWMIB-UHFFFAOYSA-N 368.502 5.510 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1C 409135843 SMQSYSITYQLUTN-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Nc1cccc(Br)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250425 LFKCKHRSLDAGAP-UHFFFAOYSA-N 368.099 5.121 0 40 FKAB CC[C@@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 975684 LDAILEPIAICNNJ-NQIIRXRSSA-N 362.494 5.763 0 40 FKAB CC(C)c1nc(SCc2cccnc2)c2c3c(sc2n1)CCCC3 1378854 ILAOAKRCGZQAKL-UHFFFAOYSA-N 355.532 5.381 0 40 FKAB Cc1cc(-c2noc(COc3cc(C(C)C)ccc3C)n2)c2ccccc2n1 1423803 HEBZUBNHXBDSCM-UHFFFAOYSA-N 373.456 5.604 0 40 FKAB c1ccc(NN(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 1723164 YXESRKDORWIWKZ-UHFFFAOYSA-N 350.465 6.310 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 2183251 KUFBDUSELVLBKS-CQSZACIVSA-N 367.851 6.197 0 40 FKAB CCCCCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 2684001 YIZWGCJJWFMBOJ-TUUBTQOTSA-N 353.550 5.530 0 40 FKAB O=C(C[C@@H](SCc1ccco1)c1ccc(Cl)cc1)c1cccs1 2709385 QLKBLQHBCHCQCO-GOSISDBHSA-N 362.903 6.242 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 3060813 DLDPBUKMUZFLTO-HSZRJFAPSA-N 369.508 5.865 0 40 FKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1cc(Cl)ccc1Cl 3287989 IBXFWCLDLXMVFX-UHFFFAOYSA-N 357.192 6.112 0 40 FKAB CCOc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 3325945 FUKCUAJMLIWMIY-UHFFFAOYSA-N 357.478 6.543 0 40 FKAB O=C(Oc1ccc(Cl)c2ccccc12)c1ccc(C(F)(F)F)cc1 3329311 ZNHDJBJNDFDVFN-UHFFFAOYSA-N 350.723 5.731 0 40 FKAB O=C(CSc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 4108482 OUNROJVGCGSCFI-UHFFFAOYSA-N 351.258 5.206 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 4644255 YJDSEZDNMMJUEW-UHFFFAOYSA-N 370.905 6.013 0 40 FKAB C[C@H](Cc1ccccc1)NCCCCCCCN[C@H](C)Cc1ccccc1 4697266 LOLIBHMZYDZYHF-DHIUTWEWSA-N 366.593 5.379 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Cl 4749122 YWKVGKYTDOTBCB-UHFFFAOYSA-N 365.816 5.890 0 40 FKAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(O)CSCc1cccc(Oc2ccccc2)c1 5482353 CULVDJPYQHYKQJ-YYDVJCTNSA-N 368.542 5.899 0 40 FKAB COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1 5528302 BBMXKTSRVFGBSD-IAGOWNOFSA-N 374.484 5.029 0 40 FKAB Cc1sc(NC(=O)COc2ccc3ccccc3c2)nc1-c1ccccc1 6254850 ZKARDEROAPJLGI-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB Cc1ccc(-c2ccc(Oc3ncnc4sc5c(c34)CCCC5)cc2)cc1 6602895 SCYZWJQOHXXLKI-UHFFFAOYSA-N 372.493 6.338 0 40 FKAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc2ccccc2c1 6961954 RAAQMUXOAOACQV-HZHRSRAPSA-N 364.448 5.740 0 40 FKAB FC(F)Oc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 7124675 BXGZMFLOMADGAW-LJQANCHMSA-N 363.367 5.277 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1ccccc1SCc1ccccc1 7684600 ZDBMCIJOLDLKQZ-UHFFFAOYSA-N 355.409 5.509 0 40 FKAB O=C(O)COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 7847028 PUCPTDUYLUSXOT-UHFFFAOYSA-N 355.393 5.032 0 40 FKAB CSc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8102938 NVHRFJZYCLNGBT-CQSZACIVSA-N 368.527 5.038 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 8499386 KQNYZFWNSLNPMD-NRFANRHFSA-N 373.496 5.300 0 40 FKAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccc3ccccc3c2)n1 8916764 XCWSLYBYHADUKX-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 10338129 RXQTYBIGGIJKAQ-UHFFFAOYSA-N 350.289 5.862 0 40 FKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1Cl 12784635 XTCAEMJSXJRNBY-UHFFFAOYSA-N 368.845 5.140 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 13774806 MTHIUGNHSVNJCJ-AWEZNQCLSA-N 360.954 5.994 0 40 FKAB CCc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 13810632 LUUCKQMJUCSYEW-GMAHTHKFSA-N 353.469 5.745 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 13931720 BAAVQGKBZUCUGW-MRXNPFEDSA-N 352.425 5.452 0 40 FKAB CC(C)(C)c1ccc(Nc2ccnc(Nc3ccc(C(C)(C)C)cc3)n2)cc1 19910282 TWLWKQUUJZVDDB-UHFFFAOYSA-N 374.532 6.559 0 40 FKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc2ccccc12 20138924 KSHZNZRBLBBZIX-UHFFFAOYSA-N 357.409 5.153 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC(C)C)cc1 20459894 RHIVIPOIEZUQFM-JOCHJYFZSA-N 363.457 5.423 0 40 FKAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 30314739 ICYDCXOLVCDPDI-GFCCVEGCSA-N 374.893 5.127 0 40 FKAB C[C@H](c1ccccc1F)N(C(=O)COc1ccc2ccccc2c1)C1CC1 40070303 ZXZKBDPXHXPARJ-MRXNPFEDSA-N 363.432 5.110 0 40 FKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3cccc4ccccc34)=NN21 40486315 RLHCMAUUHDGDAV-FQEVSTJZSA-N 362.860 5.773 0 40 FKAB Clc1cccc2sc(-c3cccc4c(Br)cccc34)nc12 45920899 GDJXBJZZFGCRJQ-UHFFFAOYSA-N 374.690 6.532 0 40 FKAB CC(NC(=O)Nc1nc(C2CC2)cs1)(c1ccccc1)c1ccccc1 72271031 ZKUNHMMLUKTTQQ-UHFFFAOYSA-N 363.486 5.106 0 40 FKAB C[C@@H]1SC2(CCCCC2)N(c2ccc(OCc3ccccc3)cc2)C1=O 72422433 PIWFBSNFHOIJMY-KRWDZBQOSA-N 367.514 5.394 0 40 FKAB FC(F)Oc1ccc(NCc2ncc(-c3ccccc3Cl)o2)cc1 72911347 SHVFKSYZANTDOF-UHFFFAOYSA-N 350.752 5.209 0 40 FKAB CC(C)(C)OC(=O)n1cc(Br)c2cc(-c3ccccc3)cnc21 85347854 BVMNZGAFQZEWOF-UHFFFAOYSA-N 373.250 5.249 0 40 FKAB C[C@@H](Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1nc(C2CC2)no1 95953841 ZOHJHJKFHKAVPI-LLVKDONJSA-N 374.271 6.094 0 40 FKAB CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 101355973 KKDQLTSQCMHEAW-LJQANCHMSA-N 371.440 5.051 0 40 FKAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccc(Cl)cc1Cl 214407125 UNGVQJZPZDTLQT-NTUHNPAUSA-N 370.282 5.291 0 40 FKAB O=C(NCC1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 223424484 BQILQAROBQOWFV-HMMYKYKNSA-N 353.893 5.577 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 223441248 GXFMBMNVGZQRAT-RTBURBONSA-N 367.533 5.554 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223492532 JUPIYJMMPUQLKS-CTNGQTDRSA-N 353.506 5.264 0 40 FKAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2Cl)cc1 225774319 AHOKCOGHQQDNTB-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2Cl)S1 408797902 HHDGBHFVESENHB-UHFFFAOYSA-N 364.277 5.065 0 40 FKAB Fc1ccccc1CSc1nnc(COc2ccc3ccccc3c2)o1 409007326 PIRBMWHIUPMKOR-UHFFFAOYSA-N 366.417 5.233 0 40 FKAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1C1CC1 409133608 LUBLYWBHPCTMPP-YVLHZVERSA-N 372.877 5.334 0 40 FKAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc(CNc2ccccc2)cc1 621894855 BNPOTHKKYWZQOO-FPOVZHCZSA-N 370.443 5.453 0 40 FKAB Cc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5s4)cc3C2=O)cc1 692771 OAZPYPGLZHTNNG-UHFFFAOYSA-N 370.433 5.072 0 40 FKAB C[C@@H]1C[C@H](N(C(=O)c2cccc(F)c2)c2ccccc2)c2ccccc2N1 752666 BAQGXIWPKJJZLA-ZHRRBRCNSA-N 360.432 5.418 0 40 FKAB Cc1ccc2sc(NCC(=O)c3ccc4c(c3)CCCC4)nc2c1C 938181 CYIDPGNWLIZULD-UHFFFAOYSA-N 350.487 5.087 0 40 FKAB COc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1463407 ZOSRBLCJWPRINR-UHFFFAOYSA-N 355.393 5.130 0 40 FKAB O=C(Nc1cccc2ccccc12)N1c2ccccc2SC12CCCC2 1572381 UMKDODBHJMFBCJ-UHFFFAOYSA-N 360.482 6.254 0 40 FKAB CC(=O)N(CC[C@]1(CCC(C)C)CCO[C@H](C(C)C)C1)Cc1ccco1 2109292 VZERSZHVJOABSL-FCHUYYIVSA-N 363.542 5.276 0 40 FKAB biogenic Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C 3135965 SSRPUDSGFYJQLO-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Cc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1 3282324 HCPRFROGVBJNLV-UHFFFAOYSA-N 350.458 5.391 0 40 FKAB CCOC(=O)c1sc2nc(C)nc(NC3CCCCCCC3)c2c1C 3319388 ZWJDCYSWNRWVMR-UHFFFAOYSA-N 361.511 5.010 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 3349309 VNGTYPOZGWLZLY-UHFFFAOYSA-N 353.421 5.813 0 40 FKAB O=C(c1ccccc1)c1cn(CCOc2ccccc2F)c2ccccc12 3648879 GVDOEEXQHVZFSG-UHFFFAOYSA-N 359.400 5.090 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 3908521 NMQKNEZVVMKVCA-UHFFFAOYSA-N 361.228 5.463 0 40 FKAB CCCCc1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1 4060482 ISFSOLINFRAHRS-UHFFFAOYSA-N 352.503 5.252 0 40 FKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccccc1F 4267154 XYCMBYFHHKCZBB-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3ccccc3F)cc12 4340799 YXILMIVHXJRJGI-UHFFFAOYSA-N 374.367 5.127 0 40 FKAB biogenic COc1ccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 4341188 JOXVFMJCXGXVOX-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)cc2)N3)C1 4545694 LSQXESBPHLZBOI-ACJLOTCBSA-N 370.518 5.424 0 40 FKAB CC(=O)N(c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 4854327 ZJTWYOOJSJDLDL-UHFFFAOYSA-N 370.477 6.162 0 40 FKAB C[C@@H](NC(=O)c1cc2ccccc2nc1Cl)C12CC3CC(CC(C3)C1)C2 5574892 KFRHWZPDIJTFPY-ZHHULCEESA-N 368.908 5.223 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CCCSc1ccc(Cl)cc1 6215261 VFGIJWZOZJEMEJ-UHFFFAOYSA-N 354.302 5.813 0 40 FKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6554865 CNWAYKXIMDVWQD-GFCCVEGCSA-N 374.893 5.688 0 40 FKAB CC[C@@H](C)c1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 7193951 FLTRAYPXJRVSJZ-GFCCVEGCSA-N 356.447 5.127 0 40 FKAB CCCc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)ccn1 8040479 DXKDYPIMSYUJKQ-UHFFFAOYSA-N 356.494 6.492 0 40 FKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3C(C)C)c12 12748518 GJZKKFCUQCIPNF-UHFFFAOYSA-N 361.401 5.167 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 12790687 SRDYPSJYHZAZST-UHFFFAOYSA-N 372.490 5.028 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(F)c(Cl)c1 12923445 LYBRSTTZYGPLPD-ZJNQMXKESA-N 374.868 5.322 0 40 FKAB Cc1nc(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)cs1 14199553 ZBURGFZNFCRMAL-UHFFFAOYSA-N 360.841 5.092 0 40 FKAB CC[C@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 16695696 MARXIEPXUFOSFT-AZUAARDMSA-N 361.482 5.260 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cccc4c32)cc1 21017494 ZOJGCIPILYPUMR-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc2cc(Cl)ccc2o1 23786061 ONVFBJKHSRVODK-UHFFFAOYSA-N 352.192 5.151 0 40 FKAB Clc1ccc(-c2noc(-c3ccc(Br)cc3Cl)n2)cc1 28218090 QUZLPRIVBNKLDH-UHFFFAOYSA-N 370.033 5.473 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2cccnc12 32593287 ANDZQOJSDZLWIR-UHFFFAOYSA-N 361.228 5.193 0 40 FKAB COC(=O)c1c(CCCc2cc(C(C)(C)C)ccc2C)cccc1OC 35973511 GYQONYAUNCSQNS-UHFFFAOYSA-N 354.490 5.263 0 40 FKAB CCCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 44848475 LZEJDKZWKWAJHE-OAQYLSRUSA-N 355.478 5.001 0 40 FKAB CC(C)(C)c1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 49581360 QTPLXBRAGXIYAC-UHFFFAOYSA-N 356.473 5.082 0 40 FKAB CC1(C)[C@@]2(c3ccccc3)[C@H]3C=C(Br)C[C@@H]3[C@@]12c1ccccc1 71785442 ZCUSLGXRRGHAJZ-MPJJRAAHSA-N 365.314 5.831 0 40 FKAB CC(C)(C)Sc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72217397 WEWSHRYJABKLHX-SFHVURJKSA-N 354.519 5.340 0 40 FKAB CC(C)Nc1cccc(CNC(=O)Nc2cccc(SC(F)F)c2)c1 75110402 SXTWUHDLHXUIDQ-UHFFFAOYSA-N 365.449 5.143 0 40 FKAB C[C@H]1CC2C[C@@H](C)CC(c3cc(Br)c(O)c(C=O)c3)(C2)C1 104859732 AGMSQKWELKKRGR-CSCWVGTJSA-N 351.284 5.071 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 216196236 KWFTXEIABBWUBK-HSZRJFAPSA-N 355.437 5.789 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C 223453818 VBXAVKFYYHKLHI-MOPGFXCFSA-N 361.485 5.410 0 40 FKAB CCCCOCc1cc(C(=O)Nc2c(CC)cccc2CC)ccc1OC 224442653 APMKEMSDSZKDKA-UHFFFAOYSA-N 369.505 5.389 0 40 FKAB CC(C)Oc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225545092 BYFSODZSTNISHC-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C(C)C)cc1 225702281 DAMDHEZIPNOFBA-FQEVSTJZSA-N 354.519 5.183 0 40 FKAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c2ccccc12 225835116 LDGQVBNLFJNBIS-UHFFFAOYSA-N 355.478 5.162 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1 408626966 JSXYQJZOHCEBLT-UHFFFAOYSA-N 370.452 5.872 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 408727494 PVOLQPYOJRPMOO-LICLKQGHSA-N 372.877 5.063 0 40 FKAB N[C@H](COc1cccc(F)c1Oc1cccc(Cl)c1)Cc1ccccc1 643550324 QSPQMAJGURARDF-KRWDZBQOSA-N 371.839 5.220 0 40 FKAB NC[C@@H](OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 888085249 UPHHLPHPPMXDGG-OAHLLOKOSA-N 365.087 5.517 0 40 FKAB Nc1cc(Cl)c(Cl)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250174 BNNRCLNGCAAQLY-UHFFFAOYSA-N 358.093 5.665 0 40 FKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccc2ccccc2c1 1775971612 XKHONOCGJLNBBL-UHFFFAOYSA-N 367.253 5.223 0 40 FKAB CC(C)=CCSc1nc2c(c(=O)n1-c1cccc(Cl)c1C)CCCC2 1888970085 WYYPKWDCTYJVSO-UHFFFAOYSA-N 374.937 5.131 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@H]1C[C@@H]1c1ccccc1 670550 QJLYBIFURXAANY-UXHICEINSA-N 370.477 5.706 0 40 FKAB COc1ccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c(OC)c1 1281086 RFIZZUYFLVPFEU-QHCPKHFHSA-N 373.456 5.090 0 40 FKAB Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 1453233 XQRQTEDKFLDCCO-MDZDMXLPSA-N 368.889 5.348 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)o1 2739128 RHQUBEPSZKXQIU-UHFFFAOYSA-N 353.230 5.271 0 40 FKAB Cc1cc(C)cc(Oc2nc3ccccc3cc2-c2ccc(Cl)cc2)c1 3050880 CISHMBFTUKYQIT-UHFFFAOYSA-N 359.856 6.964 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 3297663 JCEKEJDNKAJINF-INIZCTEOSA-N 357.453 6.281 0 40 FKAB CN(C)c1ccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1 4058748 ZJGGYOMCPVZQKN-UHFFFAOYSA-N 361.514 5.214 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccc(C)cc3)C2)cc1 4666089 SKMPHBFBTPTXGH-QHCPKHFHSA-N 372.443 5.434 0 40 FKAB CN(C)c1cc(CSCc2ccc(Cl)cc2)nc(-c2ccccc2)n1 5342387 FNMKVCQOIWFATK-UHFFFAOYSA-N 369.921 5.296 0 40 FKAB CCN1C(=O)S/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)C1=O 5375951 TUNZHUOLTPWXAX-MDWZMJQESA-N 368.241 5.310 0 40 FKAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 5448456 YQZAKGYSLVRVJJ-UHFFFAOYSA-N 350.274 5.081 0 40 FKAB CCCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O 5552415 PDJRVJPGZOOMBS-LFIBNONCSA-N 361.850 5.436 0 40 FKAB CC(C)c1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6346520 MMMQAAHABAEJSD-UHFFFAOYSA-N 365.285 5.979 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 6348812 RWBDLDOXVOWLCG-UHFFFAOYSA-N 350.506 5.473 0 40 FKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(C)cc3)n2C)cc1 6709600 MZPAOXYSKBZCQC-INIZCTEOSA-N 367.518 5.118 0 40 FKAB Cc1ccc(NC(=S)Nc2ccccc2Br)cc1Cl 6966822 QGVXURNWRDXSQK-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB Clc1ccc(COc2ccccc2CNC2CCCCCCC2)cc1 7522042 DNZJSWCRNNQDDL-UHFFFAOYSA-N 357.925 6.122 0 40 FKAB Cc1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1 7538242 LIADYIGPPSLBFC-UHFFFAOYSA-N 356.263 5.307 0 40 FKAB Oc1c(-c2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 7778790 JDEVYKLLAGMVTG-UHFFFAOYSA-N 357.478 6.215 0 40 FKAB O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1ccccc1)nn2-c1ccccc1 10157223 AFHDOQRFRHHYLJ-INIZCTEOSA-N 369.424 5.122 0 40 FKAB Cc1c(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)oc2ccccc12 11914992 ACNMCJUTSCXONM-UHFFFAOYSA-N 360.388 5.122 0 40 FKAB Cc1ccc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1 12645588 SUSMTECVEWGKCT-UHFFFAOYSA-N 355.506 6.818 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1cccc(OCc2cscn2)c1 12975569 YMRYHLRWGADDBA-UHFFFAOYSA-N 366.486 5.099 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc3ccc(C)nc23)c1 15835303 GFLDORBBYKGVCD-QGZVFWFLSA-N 362.473 5.381 0 40 FKAB Cc1ccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 16842881 DETFKVGCMRTUSQ-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 17073604 SYBQBESCSJHADH-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)c(C)c1 18118022 ZNIPUCXLJJJDPP-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB Cc1ccccc1NC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 27925117 DCTAGEPRTVFWDH-UHFFFAOYSA-N 354.841 5.095 0 40 FKAB C[C@@H]1CCc2nc(NC(=O)CCc3ccc(-c4ccccc4)o3)sc2C1 32721413 YOJCDNTXMYPEDG-CQSZACIVSA-N 366.486 5.099 0 40 FKAB COC(=O)c1c(O)cccc1CC[C@H]1c2ccccc2C[C@H]2CCCC[C@@H]21 35973652 OUPDCYDORAMWNW-GIVPXCGWSA-N 364.485 5.258 0 40 FKAB O=C(Nc1cccc(-c2nc(C3CC3)no2)c1)c1cc(Cl)ccc1Cl 40153014 ILTNXXKHOHCXJA-UHFFFAOYSA-N 374.227 5.173 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 40995691 WOUINORVHWQRKW-UHFFFAOYSA-N 364.533 5.546 0 40 FKAB Cc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc23)cc1F 44169605 NYRIPXINCKACPF-UHFFFAOYSA-N 363.436 5.052 0 40 FKAB Cc1ccc(F)cc1NC(=S)Nc1ccc(OCc2ccccc2)cc1 71761566 DTFZNXHPSDZKRM-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB CCCCCOc1ccc(N[N+](=O)c2ccc(OCCCCC)cc2)cc1 98045377 WLSBAAWYWASDJZ-UHFFFAOYSA-N 371.501 6.262 0 40 FKAB COc1ccc2c(c1)-c1c(ss/c1=N/Cc1ccccc1)C(C)(C)N2 100575480 UXEFKYPBRACBHD-XUTLUUPISA-N 368.527 5.247 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(F)(F)F)cc1 222877157 WGWNMULJARKCBM-KRWDZBQOSA-N 351.368 5.064 0 40 FKAB C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)CCC2 223208034 NJAGKEASSZMLJY-SFHVURJKSA-N 371.480 5.245 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2O1 224422387 BTYWIRDIGUAOSH-QGZVFWFLSA-N 361.844 5.292 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 225304937 TWAUOPNHXHFNPS-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C)cc1C 225624254 RPZOZJYCJFKOMQ-UHFFFAOYSA-N 356.535 5.011 0 40 FKAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225694263 NTQAVNHFBLIPGF-JOCHJYFZSA-N 355.478 5.108 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c3ccccc23)CCC[C@H](C)C1 225855649 DWDPDNLCSDFXRI-AOMKIAJQSA-N 355.478 5.162 0 40 FKAB O=C1[C@H](C[C@@H]2CCC[C@@H](C3=CCCCC3)C2=O)CCC[C@H]1C1=CCCCC1 245240269 PDNWKQHNXHCVTK-MLCQCVOFSA-N 368.561 6.348 0 40 FKAB CC1=C(C)[C@@H](C)[C@@]2(C)N=NN(c3ccc(Br)cc3)[C@@]2(C)[C@H]1C 253589842 AEIGMGYOVQMLSX-NONVJHHQSA-N 362.315 5.776 0 40 FKAB CCCc1nc(CCC2CCCC2)c(C(=O)O)cc1-c1ccccc1F 257329136 XIRDIWGYDHXCCI-UHFFFAOYSA-N 355.453 5.661 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2cccc(Cl)c2)cc1 408600564 DKHYNZGHPWBSDP-AWNIVKPZSA-N 367.807 5.923 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1cccc2c(Cl)cccc12 408621284 LFTGYAIGNHOTBS-UHFFFAOYSA-N 374.665 5.816 0 40 FKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(C)cc1 409120278 WEOMCKWDBPNKGN-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB CCOc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 642737 CGHYYXXAQBEGBX-UHFFFAOYSA-N 374.651 5.063 0 40 FKAB CC(C)CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 672775 POQXVQJRGDPISM-UHFFFAOYSA-N 358.894 5.393 0 40 FKAB Cc1ccc(C(=O)O[C@H](c2ccccc2)c2nccc3ccccc23)cc1 723786 FNFNBTULDTWBIW-HSZRJFAPSA-N 353.421 5.490 0 40 FKAB Cc1ccc(C[C@@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 865561 GAODIMGJPXDDHA-SFHVURJKSA-N 366.468 5.317 0 40 FKAB biogenic CCc1nc(Nc2c(CC)cccc2CC)c2cnn(-c3ccccc3)c2n1 1576943 WTRZSRMXGIZKBK-UHFFFAOYSA-N 371.488 5.246 0 40 FKAB CC1(CCC(=O)O)c2ccc3ccccc3c2Oc2c1ccc1ccccc21 1666737 KLDKJIQCFYICES-UHFFFAOYSA-N 368.432 6.270 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1 1913896 RRWXPZMNMWHEIA-UHFFFAOYSA-N 367.533 6.348 0 40 FKAB CCCCCCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 2054557 CAUUPJSLTDMTKD-VWLOTQADSA-N 363.545 6.478 0 40 FKAB COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1 4153325 GMHBQKAVVHKCSS-HSZRJFAPSA-N 358.441 5.060 0 40 FKAB c1ccc(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)N2)cc1 4188320 CRSXMVNRRDHDRV-UHFFFAOYSA-N 360.460 5.660 0 40 FKAB Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)OC(=O)c3ccccc32)c(C)c1 4726554 DTKYYOKNNHOKNS-UHFFFAOYSA-N 370.492 5.999 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(Cl)s3)nc3ccc(Cl)cn23)cc1 4735050 FCWUXKNAUDKATM-UHFFFAOYSA-N 374.296 6.422 0 40 FKAB CC(C)Cc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)cc1 4995971 DJUHRMJVXBJOMN-LJQANCHMSA-N 364.470 5.290 0 40 FKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 6597686 OFEIXIYZLKPHBQ-WIYYLYMNSA-N 373.481 5.304 0 40 FKAB C[C@@H]1CC2C[C@@H](C)CC(c3cc(Br)c(O)c(C=O)c3)(C2)C1 6794877 AGMSQKWELKKRGR-BKEHEOSSSA-N 351.284 5.071 0 40 FKAB Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(C)c1 6826485 WOGVOBPPZXIDPB-UHFFFAOYSA-N 371.505 6.918 0 40 FKAB COc1cc2c(cc1NC(=O)c1cc(F)cc(F)c1)oc1ccccc12 7971194 SKPZTYHTDKSRJZ-UHFFFAOYSA-N 353.324 5.125 0 40 FKAB C[C@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccccn1 8706973 QKIIBTKJAJORBB-LBPRGKRZSA-N 350.422 5.066 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 8902903 VJVZHJMMKKBEPO-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 8938687 ULCIPVKFIOCNDJ-UHFFFAOYSA-N 363.511 5.347 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 9141803 DJXVFUTZDLCVRM-UHFFFAOYSA-N 357.759 5.400 0 40 FKAB O=C(CCCc1cccs1)Nc1ccc(-c2cn3ccccc3n2)cc1 10321636 KWONTCGGJDHMSX-UHFFFAOYSA-N 361.470 5.024 0 40 FKAB Cc1ccc(CN(C)Cn2nc(Nc3ccc(C)cc3)sc2=S)cc1 12552733 HSJBCQPPJAVBJL-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB Cc1sc2nc([C@H](C)Nc3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C 12553551 GRQRVJPGLUDABN-LBPRGKRZSA-N 355.507 5.072 0 40 FKAB O=C(Nc1cccc2ncccc12)c1ccc(CSc2ccccc2)o1 12971608 NBNYNWXPBZRLPM-UHFFFAOYSA-N 360.438 5.372 0 40 FKAB Cc1ccc(-c2noc(COc3cc(C(C)C)c(Cl)cc3C)n2)cc1 13095223 WLCDTUJMKWACSC-UHFFFAOYSA-N 356.853 5.709 0 40 FKAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](c1cccs1)CC(O)=N2 13550869 BELZMRYUOYYPEE-GFCCVEGCSA-N 357.866 5.328 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1Cl 13708281 YVBPSFXVKHJIAS-CYBMUJFWSA-N 374.267 5.230 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14400325 ZOALMULOUKDXTE-MRXNPFEDSA-N 359.897 5.705 0 40 FKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1nc(Cl)ccc1Cl 15827315 XWOAERRDBFHXIA-UHFFFAOYSA-N 364.276 5.021 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 16303719 QIUIUTRBTFFDCH-UHFFFAOYSA-N 358.397 5.221 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CN(C1CCCCC1)C1CCCCC1 17073101 YYESNOIJASTPEG-UHFFFAOYSA-N 352.522 5.626 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 17076336 OETNVNRARWMRHD-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1ccc(F)cc1F 17198205 SGVBAXAGLUIXQD-OAHLLOKOSA-N 360.212 5.050 0 40 FKAB Cc1ccc2c(Cl)c(Cc3ccccc3)c(N3CCCCC3)nc2n1 19897384 OULJHLHNNVBFRE-UHFFFAOYSA-N 351.881 5.173 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(Cl)cc2)s1 19933158 CCMVNIALIVXSIA-UHFFFAOYSA-N 362.907 5.405 0 40 FKAB FC(F)(F)c1cnc(Oc2cccc(Br)c2)c(Cl)c1 21051796 HWNIMYHHHRYGCG-UHFFFAOYSA-N 352.537 5.309 0 40 FKAB COc1ccccc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 24831398 XFMMJSMHJSCXDD-UHFFFAOYSA-N 352.459 5.194 0 40 FKAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 28871944 PXOSTSNCOSRSDI-NSHDSACASA-N 356.775 5.106 0 40 FKAB Clc1ccc(-c2cnc(CNc3ccccc3N3CCCCC3)o2)cc1 29399028 KBNPACFBHJVPFI-UHFFFAOYSA-N 367.880 5.597 0 40 FKAB CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nccs3)c2c1 31817024 RYSRXYWEWBMNKL-UHFFFAOYSA-N 374.469 5.129 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)cc1 31852092 VTDXZYXIMHZBIK-IBGZPJMESA-N 361.510 5.709 0 40 FKAB Cc1cc(C(=O)Nc2sccc2-c2nc3ccccc3s2)c(C)o1 38493083 ILSCBDFJZNGZQM-UHFFFAOYSA-N 354.456 5.487 0 40 FKAB Cc1ccc2c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cccc2n1 59294361 KNCBEQMVPUAFID-JXMROGBWSA-N 357.240 5.502 0 40 FKAB Cc1cc2nc(-c3cccc4c(Br)cccc34)[nH]c2cc1C 70461590 GATKHMXTSBBZNG-UHFFFAOYSA-N 351.247 5.762 0 40 FKAB CN(c1ccccc1)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72214224 FRBIDQLPOBIFGH-QHCPKHFHSA-N 357.501 5.577 0 40 FKAB Cc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)c1 101217200 DEUMKACKPKWMTA-IRLDBZIGSA-N 373.887 6.144 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1 219374951 DSLNWPOADLZWJY-NRFANRHFSA-N 367.489 5.421 0 40 FKAB O=C(OC1CCCCCCCCCCC1)c1snnc1-c1ccccc1 223831985 POTQDKRIOJVIHH-UHFFFAOYSA-N 372.534 6.035 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)C2(c3ccccc3)CCCC2)cc1 224436607 XZMSNVLGRGDTPG-QFIPXVFZSA-N 365.517 5.411 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225288126 RCRKEQFULXGXEF-UHFFFAOYSA-N 361.489 5.143 0 40 FKAB CCc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 225634961 PZJDTFBRTBTZCL-YJZSVRAESA-N 355.481 5.667 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)c(C)c1 225710527 STUIWTBNXPDVAJ-KRWDZBQOSA-N 362.926 5.403 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(Cl)c2)C(C)C)c(C)c1 225764238 ZRBHHSCJNDMTKK-LJQANCHMSA-N 360.954 5.949 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)c2cccnc12 225897173 GBRBTFNVGAZHBX-JOCHJYFZSA-N 372.509 5.338 0 40 FKAB Cc1noc2nc([C@H]3CCCN(C[C@@H]4CC=CCC4)C3)cc(C(F)F)c12 257239577 HPYMVKBEFDZIKO-CABCVRRESA-N 361.436 5.005 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 257265819 MALLRKUVIJXYLQ-PZJWPPBQSA-N 360.501 5.119 0 40 FKAB Cc1cccc(CSc2nnc(COc3ccc4ccccc4c3)o2)c1 409007702 QUQUHFSWEJIACL-UHFFFAOYSA-N 362.454 5.403 0 40 FKAB CCCC(CCC)C(=O)c1ccc(Br)cc1C(F)(F)F 575362542 WQZCGJPRAHOQAQ-UHFFFAOYSA-N 351.206 5.867 0 40 FKAB O=C(CCSc1ccccc1)N[C@H](c1ccsc1)c1cccs1 828000826 ABCYMDWBRQVFOJ-GOSISDBHSA-N 359.541 5.198 0 40 FKAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CC2CCCCC2)N1c1cccc(F)c1 1615124010 COEQSNSGERLPDK-SFTDATJTSA-N 372.528 5.144 0 40 FKAB S=c1oc2ccc(Cl)cc2n1CNc1ccccc1Br 819698 UTJIKIGHCAHKLQ-UHFFFAOYSA-N 369.671 5.449 0 40 FKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 1937157 QKRYGFAXVOILIL-QHHAFSJGSA-N 361.055 5.952 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2563603 CRRKVZVYZQXICQ-HXWZHSPTSA-N 358.522 5.086 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccc(Cl)cc2)cc1 2768239 KIIPDKSDKSQHPP-UHFFFAOYSA-N 373.239 5.220 0 40 FKAB C[C@H](NC(=S)Nc1cccc2ccccc12)c1cccc2ccccc12 3092235 SDUSEHNMRABOCN-INIZCTEOSA-N 356.494 6.041 0 40 FKAB Cc1ccc([C@@H](NC(=O)Oc2ccccc2)C(Cl)(Cl)Cl)cc1 3176742 VHAZTZUZJONDGM-CQSZACIVSA-N 358.652 5.195 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)c3ccccc3Cl)o2)cc1 3341732 YODDEGMAROPJGV-AWEZNQCLSA-N 368.816 5.721 0 40 FKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1cccs1 4090616 MNGFFZYQZNOXOG-UHFFFAOYSA-N 359.903 5.946 0 40 FKAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2ccccc2c1 4138221 POOFSVQVDGABDN-UHFFFAOYSA-N 354.453 5.130 0 40 FKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(-c2ccccc2)cc1 4678403 PDDZGHQXNHJITK-UHFFFAOYSA-N 373.887 6.020 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 5435052 JQBXPYIAVOJZHR-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB CCc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6272119 AKCFIBDJPSEYRY-UHFFFAOYSA-N 361.285 5.539 0 40 FKAB Cc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 6451523 OTGMXJJFVKQRAN-NRFANRHFSA-N 364.828 5.429 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 6609042 RNRNEPUFBRYSTN-LLVKDONJSA-N 357.759 5.073 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccccn3)n2)cc1)c1ccccc1 7643950 RMNAOFKZODJNEU-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 8262036 CGNMHXFGERVIRQ-MRXNPFEDSA-N 365.523 5.957 0 40 FKAB Cc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(Cl)cc2)cc1 8411392 MHRMMRCPLCGOBK-UHFFFAOYSA-N 354.881 5.310 0 40 FKAB CC(C)c1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1 9117705 GMPBNYPZPKDFGQ-UHFFFAOYSA-N 360.526 5.886 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 14268944 HTSKDDGXVVPFKL-SCFJZMLDSA-N 362.517 5.841 0 40 FKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1Cl 15540398 AOTRZFMENVSZQG-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(NC(=O)[C@H](CC)CCCC)cc1 17074326 DQNQSMCMWQELFO-HDICACEKSA-N 360.542 5.996 0 40 FKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1cccc2ccccc12 18055156 KJYFNHLAFWFRNL-LNVKXUELSA-N 374.534 6.523 0 40 FKAB CCOc1cccc(CNc2cccc(OCCOc3ccccc3)c2)c1 19738411 AGCGECNNHIDDMV-UHFFFAOYSA-N 363.457 5.155 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 20488878 CGRLREQEYPDCCW-HNNXBMFYSA-N 359.510 5.234 0 40 FKAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccccc4Cl)nc3c12 21801110 JWVNOFFXAMXGOE-UHFFFAOYSA-N 373.847 5.005 0 40 FKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 28210373 ZKQKURREAORGQM-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)cc1 31852090 VTDXZYXIMHZBIK-LJQANCHMSA-N 361.510 5.709 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F 38445264 VHHMXXZBUJFQFA-UHFFFAOYSA-N 368.664 5.420 0 40 FKAB Cc1ccc(CSc2nccn3nc(-c4ccc(C)cc4C)cc23)cc1 38651974 VAOBUIVKUKPJBT-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1C 38754595 YDGOAOKFCAMHCU-UHFFFAOYSA-N 356.469 5.118 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 222872961 UKYNDNQWOPONKV-KRWDZBQOSA-N 351.368 5.064 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)c(C)c1 225374060 KJIAFFYCNUJOGA-CQSZACIVSA-N 350.289 5.420 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OC(C)C 225535120 HLWINNCWXBXSMF-UHFFFAOYSA-N 351.490 5.623 0 40 FKAB Cc1cc(CCC(=O)NCc2cccnc2-c2cccs2)ccc1Cl 225760348 YOBRBWGWSMUWBO-UHFFFAOYSA-N 370.905 5.021 0 40 FKAB COc1ccc(-n2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1 1393850 BBZNDITUIIUNPK-UHFFFAOYSA-N 374.267 5.052 0 40 FKAB Clc1cccc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)c1 1637822 VMQJSUSFENIZEP-UHFFFAOYSA-N 372.967 7.449 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cccc2ccccc12 1752960 UURSGUROLVYFKG-UHFFFAOYSA-N 353.425 6.227 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 1863259 FOBCLLFTOLJIJV-UHFFFAOYSA-N 367.242 5.644 0 40 FKAB CCCc1cc(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12 2133963 FZYXQKDDXQFABB-UHFFFAOYSA-N 354.405 6.312 0 40 FKAB biogenic Cc1cc(OCCCC(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 3321202 UAGYFVASWSFBTN-FQEVSTJZSA-N 357.881 5.001 0 40 FKAB Cc1ccc([C@]2(CCN[C@@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 4043264 NKGXTFCIHUTLTA-GVXSCFBNSA-N 365.561 5.809 0 40 FKAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4104902 VKJBIWDCANRYSU-XLHNUUQASA-N 356.506 5.006 0 40 FKAB biogenic,in-vitro COc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccncc3)n2)cc1 4722747 XMYBXXZZWYMRGF-UHFFFAOYSA-N 357.388 5.020 0 40 FKAB CCCCCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4906785 HGOFTHJQFMTENL-UHFFFAOYSA-N 366.505 5.755 0 40 FKAB CN(C)CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 5123994 KUGBMOYLIHPSFR-XDOYNYLZSA-N 371.937 5.054 0 40 FKAB CCOc1cccc2c1Oc1nc(-c3cccc(Cl)c3)nc(S)c1C2 6000614 FLZBNWRNGALIPO-UHFFFAOYSA-N 370.861 5.181 0 40 FKAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N[C@H](C)c1ccc(F)cc1 6588313 NMIAWNRRNJLHKN-CHWSQXEVSA-N 374.506 5.059 0 40 FKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(OCc2ccccc2)cc1 6615971 BMQWAVATCYPIAI-UHFFFAOYSA-N 372.468 5.118 0 40 FKAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)s1 7597291 QHSTXUAAFTVSRG-UHFFFAOYSA-N 372.515 5.379 0 40 FKAB CCOc1ccc(-c2nc(-c3cc(F)ccc3OC)cs2)cc1OC 7844527 YRARXJRFRUMGEC-UHFFFAOYSA-N 359.422 5.032 0 40 FKAB CC[C@H](C)NCc1cc(Br)ccc1OCc1ccccc1F 8326699 DFNCIVNDOXDMSA-ZDUSSCGKSA-N 366.274 5.055 0 40 FKAB CC(C)Sc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 8739051 CXXGSAQGFFPGRB-QFIPXVFZSA-N 368.546 5.332 0 40 FKAB CCC[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 12814732 CBIPZCCCAWWPAC-KRWDZBQOSA-N 356.516 5.072 0 40 FKAB CCC(CC)c1nnc(NC(=O)c2ccccc2SC(F)F)s1 12873985 XQSYRUVPAFTITK-UHFFFAOYSA-N 357.451 5.009 0 40 FKAB O=C(Nc1ccc(O)c2ccccc12)c1ccc(-c2ccccc2Cl)o1 13009690 BDFSENVSGUYWSS-UHFFFAOYSA-N 363.800 5.711 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1C 16506060 MPYDUSGNEHZVCS-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3ccccc3)n2)c(C)c1 17073088 WSDIWZUOUTVWQD-UHFFFAOYSA-N 352.481 6.440 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(C(C)C)cs1 19718285 YKZXJTVWSKYDTM-UHFFFAOYSA-N 361.854 5.136 0 40 FKAB CC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 26894742 GDBCIBZRYRSSTA-QHCPKHFHSA-N 374.871 5.959 0 40 FKAB O=C(c1ccco1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl 28231927 DWFOJFYJDMSXFE-UHFFFAOYSA-N 350.201 5.022 0 40 FKAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCc2ccccc21 29482595 KCKZKMSBPQAGKU-QFIPXVFZSA-N 372.468 5.037 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(C(F)(F)F)cc2)o1 35586235 QOPUVJKSFNKBOM-UHFFFAOYSA-N 350.365 5.356 0 40 FKAB Cc1ccc(-c2csc3c(=O)n(Cc4ccccc4Cl)cnc23)cc1 38486731 HXTIUBRHYJXGCQ-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 38755486 IUCGYBHLOYNMNR-KKSFZXQISA-N 369.505 5.028 0 40 FKAB CCCCc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39754679 CYIDHNIKHAFHSH-UHFFFAOYSA-N 364.533 5.188 0 40 FKAB CCOc1ccc(CCC(=O)Nc2ccccc2C(C)C)cc1OCC 44840147 MGJPTUSNYOZNRM-UHFFFAOYSA-N 355.478 5.179 0 40 FKAB Cc1noc([C@H](C)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)n1 56176534 BKRGIOWCPRCQBO-VIFPVBQESA-N 365.220 5.045 0 40 FKAB CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C=Cc4cc(O)ccc4[C@H]3CC[C@]12C 65739651 QTAQSALQAZZFHY-RBRWEJTLSA-N 354.490 5.431 0 40 FKAB in-vitro Cc1cc(NC(=S)Nc2ccc(F)cc2Cl)ccc1Br 71761753 OXWDCHUVPXZSBP-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB CCn1c2ccc(C(C)=O)cc2c2cc(C(=O)c3ccc(F)cc3)ccc21 95933575 PIIZBUAGGCPPSE-UHFFFAOYSA-N 359.400 5.387 0 40 FKAB O=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1c1ccc(Cl)cc1 210202900 XJZTZMKUWKYTEA-RIYZIHGNSA-N 368.216 5.373 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CCCOc2ccccc2)c2ccccc2O1 223000057 FSBOMSCHSPEXQN-HXUWFJFHSA-N 367.489 5.044 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223019288 LGQIHNFOGXPICP-HXUWFJFHSA-N 359.897 5.787 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1C(C)C 223309707 WETDJQAOLZAQNJ-OAHLLOKOSA-N 359.897 5.200 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1C(C)C 223390206 CDRBJNYJEDZZIF-KRWDZBQOSA-N 365.517 5.497 0 40 FKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2ccccc12 223434566 NXGHVPJCVMOYBQ-UHFFFAOYSA-N 363.891 5.016 0 40 FKAB CCOc1ccc(C(=O)N2CCCCC2)cc1CSc1ccc(C)cc1 224665590 BQCFPOJTXKBTCV-UHFFFAOYSA-N 369.530 5.312 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225551634 UNZDSQXONMXHCX-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 226334231 XHHSSFOUWRIHAG-XBXARRHUSA-N 369.219 5.288 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 227145623 MWERZBYSWCYGEV-VQHVLOKHSA-N 370.811 5.282 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Br 408587112 QGYCZCVJYGHEDN-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1O 409111934 ALNYGSRKSWGKHL-UHFFFAOYSA-N 355.821 5.459 0 40 FKAB CCOc1ccc(NCc2ccccc2OCc2ccccc2F)cc1 409120814 URCUZNCNKJXQKR-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CC[C@@H](C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1 575619311 JMMFTXLXYPTKSP-GOSISDBHSA-N 359.473 5.019 0 40 FKAB Brc1c(-c2ccccc2)nc2ccccc2c1Br 1724703 VCDSZBBXLSQKDD-UHFFFAOYSA-N 363.052 5.427 0 40 FKAB COc1ccc(-c2cc(=O)oc3c(C)c4occ(C(C)(C)C)c4cc23)cc1 2093730 AVSGFVAISSBWSD-UHFFFAOYSA-N 362.425 5.821 0 40 FKAB biogenic Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 2415238 ARJLOLQLNXHOOC-UHFFFAOYSA-N 356.303 5.143 0 40 FKAB COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 2631043 DWPNZFGJAJJENH-UHFFFAOYSA-N 366.467 5.286 0 40 FKAB CC(C)c1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 2919403 SROIRMSKGBQSJU-RTBURBONSA-N 352.869 5.201 0 40 FKAB CC(C)c1ccc(NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 3265255 WQPWAMUJRLSTPI-UHFFFAOYSA-N 353.535 5.609 0 40 FKAB Cc1nc(SCc2nc3ccccc3[nH]2)c2c3c(sc2n1)CCCC3 3275624 UWACFCZYPJJLNQ-UHFFFAOYSA-N 366.515 5.047 0 40 FKAB CC[C@@H](C)c1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 3437589 RWNWEEYNNIUZJN-CQSZACIVSA-N 352.459 5.225 0 40 FKAB O=C(CCc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 4194735 DEBRUAYUZRXGPA-UHFFFAOYSA-N 358.466 5.535 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc[nH]3)C[C@H]12 4653279 XQGICSGOYOKZIM-QJYOBMODSA-N 351.534 6.010 0 40 FKAB CCOc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2C)cc1 5953689 XZAUEXXXWHVJTQ-UHFFFAOYSA-N 352.459 5.078 0 40 FKAB CC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)n(-c2ccccc2)n1 6313460 WDAQMDYYMOHNDB-UHFFFAOYSA-N 368.868 5.467 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 8049792 IKFSWHWJTLDLTF-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CC(C)c1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275967 MIWJKCKYENHBKP-SFHVURJKSA-N 351.534 5.918 0 40 FKAB Cc1cc(C)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C)c1 12767954 OWETTZNROAXLDJ-UHFFFAOYSA-N 372.827 5.620 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 23681139 YXVYPWJJCRNMRU-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB C[C@@H]1CCCN(c2nc(-c3ccccc3)nc3oc(-c4ccccc4)nc23)C1 28287694 MMYUHZGOYCWWST-MRXNPFEDSA-N 370.456 5.188 0 40 FKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(C)=O)s1 29475039 YQVMFALIPBPBCI-UHFFFAOYSA-N 371.380 5.011 0 40 FKAB CCCCC(=O)Nc1nc(C)c(Cc2cccc(C(F)(F)F)c2)s1 36639205 USPXHDOMJRRRBY-UHFFFAOYSA-N 356.413 5.190 0 40 FKAB CCOc1ccc([C@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48253471 HPOMUMZFIUOCAB-GOSISDBHSA-N 354.475 5.139 0 40 FKAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)Nc1ccccn1 61721487 PQBBSKDJBBKTHQ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc(S[C@@H]2CCC(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 65090581 MNUVCKIYHWDZHX-VWNXMTODSA-N 373.521 6.024 0 40 FKAB CCCCCn1c(SCc2cc(C)ccc2C)nc2ccsc2c1=O 67259653 YCCYQPKPIXZWJD-UHFFFAOYSA-N 372.559 5.557 0 40 FKAB CCc1ccc(N(CC(F)(F)F)C(=O)c2cc(-c3ccccc3)on2)cc1 72427534 MLBMBLWZPYCOHH-UHFFFAOYSA-N 374.362 5.113 0 40 FKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)c1 96037406 LEVWZEANZFTLQP-UHFFFAOYSA-N 357.457 5.104 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](C1CCCCC1)C2=O 118927113 UJSMXKNMJUHGOA-AFEDGDJXSA-N 370.577 5.686 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1cc(C)ccc1C 223898205 FPUQVVKYHBFLOQ-WZONZLPQSA-N 365.517 5.217 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1ccccc1Cl 224976684 CKGWHCNADDGQOR-UHFFFAOYSA-N 363.888 5.299 0 40 FKAB CC(C)(C)c1ccccc1O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225082507 UAYNGILEWOCQJU-INIZCTEOSA-N 367.272 5.366 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc(Cl)c1 225109383 OWGJQIIMYRBZCH-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB Cc1ccc(CSCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225292176 WEVGKZSXWQWIJK-UHFFFAOYSA-N 358.576 5.338 0 40 FKAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1 225514047 CEQMQSGPSWXBKF-CYBMUJFWSA-N 352.425 5.013 0 40 FKAB Cc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225766814 PFUMKHKIAAWWLO-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225844306 YSAVUTSFBJSIPP-UZUQRXQVSA-N 371.521 5.941 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c(C)c1 225918549 MGKBKCZQBVBSPT-UHFFFAOYSA-N 360.461 5.015 0 40 FKAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1Cl 225943558 NCAJWXPBDFMGTI-UHFFFAOYSA-N 352.261 5.209 0 40 FKAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(C(C)C)cc3)oc12 226269449 PLXXKDWYDQCOIX-UHFFFAOYSA-N 362.351 5.427 0 40 FKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1 408703643 VLZNXYYGHKZIGL-JOCHJYFZSA-N 361.441 5.158 0 40 FKAB Cc1ccc(COc2ccc(CNc3cccc(C)c3C)cc2Cl)cc1 409119926 UNLDZDUTQOSVSR-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB C[C@H](Nc1cccc2nc(O)oc12)c1ncc(-c2ccc(Cl)cc2)o1 562232189 FRUDQYQSWJPVFK-JTQLQIEISA-N 355.781 5.015 0 40 FKAB CC[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 575361346 YCMYVZNMNBMLGI-OAHLLOKOSA-N 360.297 6.101 0 40 FKAB CC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc12 704129 GOLKVXDNUIEBAK-UHFFFAOYSA-N 370.404 5.830 0 40 FKAB Cc1ccc2oc(-c3cccc(-c4nc5cc(C)ccc5o4)c3N)nc2c1 865367 PBVAMRITWCTCIA-UHFFFAOYSA-N 355.397 5.502 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nc2c1 1413861 OFBSRFAEUUTOCN-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c3c(c(=O)oc12)CCCC3 2435942 OTBMLMAGENRCHS-UHFFFAOYSA-N 364.828 6.047 0 40 FKAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCc2ccccc21 2616489 SRSNYVFKFGAVGM-UHFFFAOYSA-N 369.420 5.215 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 2736562 CBQGQUFSHFUZDQ-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Oc2ccccc2)c1 4059117 VMCORNABSVDYJU-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1cccs1 4498415 FIJLUDMBCJAJGD-FQEVSTJZSA-N 353.487 5.220 0 40 FKAB CC[C@@H](C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 5047204 CHLIXCRPZUFLQJ-MRXNPFEDSA-N 370.452 6.308 0 40 FKAB c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 5990097 LMEZVRKDAQWZMP-UHFFFAOYSA-N 355.466 5.498 0 40 FKAB Cc1cc2nc(/C=C/c3ccc(OCCC(C)C)cc3)sc2cc1C 6787674 JJRJQVNTFNMQQK-JXMROGBWSA-N 351.515 6.508 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(C)cc1 7521487 IUGYAGJHUNQHJF-UHFFFAOYSA-N 369.549 5.887 0 40 FKAB COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccc(F)cc1 7537859 VOOHAAUIMYJEQV-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 8497410 ATPRCESISZRRAJ-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(F)c4)c3c2c1 8607078 QQTFMXFWXAJZLO-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 14257952 BUSRPKVSDPCKJZ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 14397231 XOFOPEJLDXGBED-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB CC(C)=C=C(c1ccccc1)[P@@]1(=O)O[C@@H](c2ccccc2)[C@H](C)N1C 15083166 BPOMGMDTRYXISQ-SMTRDTIPSA-N 353.402 5.878 0 40 FKAB Cc1ccc(NC(=S)N2CCC(c3c[nH]c4ccccc34)CC2)cc1F 15480271 TYNHLHMOQGMAHE-UHFFFAOYSA-N 367.493 5.192 0 40 FKAB COc1cccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c1 22052437 LTTPOOFFLYDCED-KAVGSWPWSA-N 355.481 5.928 0 40 FKAB in-vitro CCCc1nc2ccc(NC(=O)c3ccc(OCC)c(C)c3)cc2s1 22254890 QRSAHWATENSEIN-UHFFFAOYSA-N 354.475 5.208 0 40 FKAB Fc1ccccc1-c1nnc(SCc2cccc(C(F)(F)F)c2)o1 35586239 QCFGCSDFTSCCNU-UHFFFAOYSA-N 354.328 5.187 0 40 FKAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1 65500565 AVAKQTQZWHTBQY-QGZVFWFLSA-N 350.487 5.413 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 223029274 WLMBBNMPPGPVCV-SFTDATJTSA-N 373.924 5.709 0 40 FKAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 223422799 KUWVBPDMPBBGFF-WKSXIXGESA-N 369.936 6.213 0 40 FKAB Cc1cc(NC(=O)c2ccc(Oc3nccs3)cc2)c2ccccc2n1 225636894 KWOYRLCEUNLSOG-UHFFFAOYSA-N 361.426 5.044 0 40 FKAB Cc1cc(C)c2oc(C3=CCN(Cc4ccc(Cl)cc4)CC3)nc2c1 226251294 IJMVJHWSLFGKNX-UHFFFAOYSA-N 352.865 5.387 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 226265840 YHGYQYIXSSJISF-UHFFFAOYSA-N 365.521 5.055 0 40 FKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 227144677 JPBMPIHVJSBJPV-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB C[C@@H]1O[P@](=O)(Nc2cc(Cl)ccc2Cl)O[C@H]2CCCC[C@H]12 301054484 UARSWUVSJHAZAE-RPXUOFNDSA-N 350.182 5.508 0 40 FKAB CCCCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 408530899 KONGDPBLBWNBCY-VBKFSLOCSA-N 372.262 5.121 0 40 FKAB CC(C)Oc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 408563121 IYPHEUBLJUKUHD-UHFFFAOYSA-N 367.873 5.138 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1C 409113670 FKDANJSIIWLAFO-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Nc1ccc(Br)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250472 RGMVHKUQUQXYHZ-UHFFFAOYSA-N 368.099 5.121 0 40 FKAB O=C(NCc1ccc(Cl)cc1)NCc1cc(-c2ccsc2)cs1 1775971350 IVWJFSKDWWKXJL-UHFFFAOYSA-N 362.907 5.129 0 40 FKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccccc1C 709109 OYTMARWVKPRGBM-UHFFFAOYSA-N 371.483 5.214 0 40 FKAB OC1=NC(=S)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1 975310 BHVRLTMZAVTVHX-OQLLNIDSSA-N 361.875 5.248 0 40 FKAB Cc1ccc(-n2c(C)c(C(=O)c3ccccc3)c3cc(O)ccc32)cc1C 1250850 UWIICMKAHBUOBJ-UHFFFAOYSA-N 355.437 5.492 0 40 FKAB biogenic Cc1sc2nc(C(C)C)nc(SCC(=O)c3ccccc3F)c2c1C 1340403 QGOAYSBCNMYHFN-UHFFFAOYSA-N 374.506 5.546 0 40 FKAB Cc1cccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c1 1797628 RNUPBGVKDCKEHI-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2)cc1 2029730 YAFALRXZMFFDTB-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1ccc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc1C 2079529 CXJTZYDVRJZBQU-UHFFFAOYSA-N 367.448 5.876 0 40 FKAB CCCCOc1ccccc1NC(=O)Nc1ccc(Br)cc1 3150672 NHKRORWGFUYJCV-UHFFFAOYSA-N 363.255 5.272 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccs2)nc2ccccc12 3229462 HLBROPQVMRGUKN-UHFFFAOYSA-N 366.392 5.494 0 40 FKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(Cl)cc1 4176305 IEEKEGOKKDCXKN-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB O=C(OCCN1CCCC12CCCCC2)[C@@H](c1ccccc1)[C@H]1C=CCC1 4538930 DMBOPNLNZCYIRI-VXKWHMMOSA-N 367.533 5.078 0 40 FKAB Cc1sc(NC(=O)c2ccccc2F)c(CN2CCCC[C@H]2C)c1C 4539799 NGHZYYOSKFCOBC-CYBMUJFWSA-N 360.498 5.131 0 40 FKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccccc1 4982804 RWGOINUPNYICNV-UHFFFAOYSA-N 372.449 5.855 0 40 FKAB CCCCCCC1CCC(C(=O)OCC(=O)c2ccc(OCC)cc2)CC1 5389870 SZZWZIBZIOWGDB-UHFFFAOYSA-N 374.521 5.588 0 40 FKAB Cc1ccc2nc(Sc3ccccc3)cc(Sc3ccccc3)c2c1 5588161 LGKXXMVZUSSAID-UHFFFAOYSA-N 359.519 6.846 0 40 FKAB O=C1c2ccccc2S[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 5773547 PIRMSUXWAIWTJC-NRFANRHFSA-N 365.885 5.787 0 40 FKAB CCC(=O)c1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12 6308287 JXIPMAFKRHSZHF-UHFFFAOYSA-N 356.425 5.026 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CCC(=O)O1 6525844 KYUZKRJIOGSDGT-KIJBANGJSA-N 372.549 5.022 0 40 FKAB CC(C)c1ccccc1N(C(=O)C1CCCC1)c1nc2ccccc2s1 7593653 VLSCFYHOGUUMLX-UHFFFAOYSA-N 364.514 6.275 0 40 FKAB CCCCc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 7995644 ZPTKUYFBGZGSJH-UHFFFAOYSA-N 350.487 5.334 0 40 FKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@@H]1c1ccccc1 9355720 QMXIWYIOFRWPGW-HXUWFJFHSA-N 357.413 5.020 0 40 FKAB CCc1cccc(CC)c1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11470097 WZTUXRIAPLNPAK-UHFFFAOYSA-N 366.436 5.177 0 40 FKAB Cc1nn(CC(C)C)c2sc(C(=O)N3c4ccccc4CC[C@@H]3C)cc12 14169190 HUSCSJMOCITRIA-AWEZNQCLSA-N 367.518 5.044 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 14396680 QGCRUKTYALXXBI-UHFFFAOYSA-N 372.679 5.753 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 20362301 NXUZALSTDOLOFC-UHFFFAOYSA-N 370.029 5.733 0 40 FKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]1c1cccs1 22131879 FVVXYIFPQDGKMA-HNNXBMFYSA-N 374.918 5.502 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 22526441 UKTQMOXVMAECLD-QGZVFWFLSA-N 365.951 5.119 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1 28250107 KSZWQQYWVQQHDA-UHFFFAOYSA-N 358.235 5.373 0 40 FKAB Cc1ccccc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 32958136 MYJSPNKSIJWVMA-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB Cc1ccccc1N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 33601202 QBXYYSHNRDCOHK-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38849589 UOOOBFHXJKEXJU-HNNXBMFYSA-N 356.897 5.133 0 40 FKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39766126 FHEDTDUJMFVNAM-UHFFFAOYSA-N 370.924 5.314 0 40 FKAB Cc1ccc2c(NC(=O)Cc3sc(-c4ccccc4)nc3C)cccc2n1 44225945 GYYDTOZSALIOSG-UHFFFAOYSA-N 373.481 5.156 0 40 FKAB CN(Cc1cccs1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 44776388 CVMQFHGKXXXSCS-HZPDHXFCSA-N 368.527 5.066 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)c(Cl)c2)cn1 72038817 DURAJEZNNOXHQV-OAHLLOKOSA-N 365.864 5.469 0 40 FKAB Cc1cc(OCCCn2c(C(=O)O)cc3ccccc32)cc(C)c1Cl 95594020 PDMKFDARJPXMCS-UHFFFAOYSA-N 357.837 5.079 0 40 FKAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)c1 112161239 XJBILAUCKUCPKQ-UHFFFAOYSA-N 353.853 5.012 0 40 FKAB CC(C)(C)OC(=O)Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1 117206852 VQFWSILDAMGQFQ-UHFFFAOYSA-N 372.277 5.282 0 40 FKAB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914875 XFQZMLHHLMNCGB-BCUDGRBNSA-N 362.554 5.102 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 222972198 QMWGNOOWWSHKSM-SFTDATJTSA-N 353.506 5.345 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C 223399840 WOSYJMHFZUISEM-INIZCTEOSA-N 361.938 5.625 0 40 FKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1CSc1ccccc1 224322944 OLHPKIYVBGTNGD-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 408531153 KYHJZTPDAFLDSC-UHFFFAOYSA-N 366.420 5.338 0 40 FKAB O=C(CCSc1ccccc1)NCc1cc(-c2ccsc2)cs1 1775971154 GKHBYSYLQCLXBS-UHFFFAOYSA-N 359.541 5.275 0 40 FKAB O=C1CCCC[C@H]1[C@H](Nc1ccc(Br)cc1)c1ccccc1 704440 SRCJEGCCEVROGN-IEBWSBKVSA-N 358.279 5.362 0 40 FKAB CSc1cc(Sc2ccc(Cl)cc2)nc(-c2cccs2)n1 941553 CUXZVUNDYJLVPU-UHFFFAOYSA-N 350.921 5.732 0 40 FKAB CCCCCCOc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775059 JNSISLNKUXGNJX-UHFFFAOYSA-N 366.457 6.107 0 40 FKAB CC(C)c1ccc(-c2nn(-c3ccccc3)c(=S)c3ccccc23)cc1 2296875 XJCSCFAZGXVABN-UHFFFAOYSA-N 356.494 6.545 0 40 FKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3cccc(Cl)c3)c1-2 2314722 SUJRIVKASCYZHM-UZYVYHOESA-N 372.946 6.331 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc2ccccc2c1 2805612 YEWKMNMLFMMWHB-UHFFFAOYSA-N 369.898 6.078 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ccccc1-c1nc2ccccc2s1 3369839 LBCXABBZNKAWQP-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(Nc3ccc(F)cc3)c2c1C 3406888 VRICQTLPMIXZTO-UHFFFAOYSA-N 355.463 5.919 0 40 FKAB COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 3850046 XZYHUDBBIOJHPZ-XKHXBXMJSA-N 374.565 5.126 0 40 FKAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(C(C)C)cc1 3895929 GYWKZNVXJDIVBU-DBOINVBNSA-N 372.553 5.106 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccccc2)cc1 4666209 PVWHTHLIGVLUGU-UHFFFAOYSA-N 365.432 6.398 0 40 FKAB Cn1c(-c2ccc(F)cc2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 4678337 FTRRYZHFVSOHMK-UHFFFAOYSA-N 360.219 5.453 0 40 FKAB Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(C)c3C)c12 4970205 CROQMGNBGMNTCJ-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB O=C(CCCCCCCCC(=O)Nc1ccccc1)Nc1ccccc1 5377676 ONCDVKZXXAGMSL-UHFFFAOYSA-N 352.478 5.385 0 40 FKAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 6152071 XQWARNZFTPOLHG-UHFFFAOYSA-N 359.454 5.162 0 40 FKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccc(F)cc1 8265386 NZPZUNUVOZMDCG-GFCCVEGCSA-N 357.429 5.412 0 40 FKAB CCc1ccc([C@H](N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)C(C)C)cc1 11049725 ZXBXZGABBYYPMV-LAUBAEHRSA-N 363.505 5.655 0 40 FKAB COc1nc2ccc(Cl)cc2cc1Cc1cccc(Br)c1 12534592 PTKIBBZWZAKKLZ-UHFFFAOYSA-N 362.654 5.250 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1csc(-c2ccsc2)n1 14198374 FEPMYAMZPHJNRE-UHFFFAOYSA-N 370.543 6.371 0 40 FKAB C[C@H](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 16963709 IHQZPPFHGIQFMM-HXOBKFHXSA-N 361.510 5.416 0 40 FKAB C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(F)cc1 19295453 SCFBXBIRZYSSSI-LBPRGKRZSA-N 374.868 5.023 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3noc4ccccc34)ccc21 19358068 ZGICHVODBIFWEC-UHFFFAOYSA-N 369.424 5.137 0 40 FKAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2Cl)c1C 19558000 TYGCLWLFHILDJO-SFHVURJKSA-N 370.884 5.062 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20104881 SFXHNIWZAMELKQ-FQEVSTJZSA-N 364.533 5.026 0 40 FKAB O=C(CCc1cccs1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24877786 CBAMQKRWLDHVFN-QFIPXVFZSA-N 361.466 5.333 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C)cc1C 30872541 HNMFQSWIKDDVPD-JPYJTQIMSA-N 361.485 5.491 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)Nc1c(F)cccc1F 38671405 MNTNHRJJFBUIFK-UHFFFAOYSA-N 364.355 5.152 0 40 FKAB C[C@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(Cl)cc1Cl 54913467 HOWZCNXNCFNQGP-JTQLQIEISA-N 365.289 5.037 0 40 FKAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1Cl 58132478 ZPKUMLXHADZGFE-JOCHJYFZSA-N 367.219 5.461 0 40 FKAB CCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 67258667 FKGLCWPQNXWWSJ-UHFFFAOYSA-N 366.530 5.396 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214114 MBJSJNLQSWNKGX-OAQYLSRUSA-N 357.457 5.193 0 40 FKAB COc1ccc(C(OC[C@@H]2C[C@H]3C=C[C@H]2C3)OC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 104189083 IETYYIJLWUYSNN-BJYRRAHNSA-N 366.501 5.151 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535230 VXRHTYFMGTWZAO-IBGZPJMESA-N 365.517 6.013 0 40 FKAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12)C1CC1 225859093 GAYBBUJQIHWYGN-HJPURHCSSA-N 369.505 5.551 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225868380 OELSWRZNQSWSJM-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1ccccc1 408585440 DTGNVTFOJHADDW-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2cccc(Cl)c2)c1 409118962 QQPWTYRHDMOUCB-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(C)ccc1C 1339954 SMPMHYOXEFPESZ-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB COc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1 2288810 OOZVBRTXODUTIU-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB CN(C)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3180143 CZYQFPAAUMHNSM-UHFFFAOYSA-N 373.481 5.282 0 40 FKAB Cc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Cl)cc1)=N2 4168569 AWXMAYKXFSFVHN-UHFFFAOYSA-N 351.862 5.144 0 40 FKAB Cc1ccsc1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 4320583 CKANHILZAIKNEX-UHFFFAOYSA-N 370.521 6.816 0 40 FKAB CCCC[C@@H](CC)c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 4837899 WOUSXYCZFIWYLM-SNVBAGLBSA-N 372.321 5.781 0 40 FKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1C)CO3 5477599 REAVPNKGWAGLBR-UHFFFAOYSA-N 363.457 5.027 0 40 FKAB O=C(CCC1CCCC1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5617246 IQHNUCOPCCGWGE-NRFANRHFSA-N 369.436 5.019 0 40 FKAB CCCCc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 5951822 INILHNHFDNJJSZ-LYBHJNIJSA-N 355.481 6.209 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CSc1ccc(Br)cc1 6215137 RXKFKIOXTZAQHR-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)nc1 6276127 BEZZHSAYVNAGIF-UHFFFAOYSA-N 368.792 5.112 0 40 FKAB Cc1cc(C)c2nc(SCC(=O)Nc3c(F)cccc3F)cc(C)c2c1 6415025 CLPWMIHBVFYSFG-UHFFFAOYSA-N 372.440 5.169 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCCc1ccccc1 6857367 VAZKPHMKDFYESD-UHFFFAOYSA-N 369.549 5.621 0 40 FKAB COc1ccccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 7061136 BLEWZLPRLPPQFJ-UHFFFAOYSA-N 371.358 5.633 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 11637154 OUKVSCIDKRJCIJ-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB CCc1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 11689980 IBYABUJBGPCLCV-UHFFFAOYSA-N 353.849 5.734 0 40 FKAB O=C(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 12290548 NGNPHNWIFLLNLJ-TUNNFDKTSA-N 353.893 5.442 0 40 FKAB Cc1ccc([C@H](NCc2nc(-c3cccs3)no2)c2cccs2)cc1 12792787 OPDGCQJYUYNJJK-SFHVURJKSA-N 367.499 5.047 0 40 FKAB S=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccc1 13820592 FLHAOYVFSTZFTN-UHFFFAOYSA-N 352.890 5.416 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 20456816 ZZBACKVQAOSJKR-JTQLQIEISA-N 372.679 5.615 0 40 FKAB CC1(C)CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3ccc(F)cc3)c2C1 20796686 CXCVWVFUYBYXEI-UHFFFAOYSA-N 367.399 5.049 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1C(F)(F)F 22250884 XKEALGZDFYEQLC-UHFFFAOYSA-N 368.569 5.918 0 40 FKAB Cc1cc(C)c(NC(=O)c2csc(COc3ccc(F)cc3)n2)c(C)c1 23074454 VCVOBBADSTVIPJ-UHFFFAOYSA-N 370.449 5.039 0 40 FKAB C[C@@H](NC(=O)CCCC(=O)c1cccs1)c1cccc2ccccc12 25805819 UVCXXKGNWWXQLM-OAHLLOKOSA-N 351.471 5.132 0 40 FKAB Cc1ccc(-c2cc(C(=O)N(c3ccccc3)c3ccccc3)no2)cc1 27662162 YEUUDMMHDBQIBS-UHFFFAOYSA-N 354.409 5.629 0 40 FKAB CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccccc1 44900475 NLGAWDKGKISCTM-SGXRDAIWSA-N 371.480 5.503 0 40 FKAB Cc1cc(N)c2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57352563 WELBQAHWXXDDIL-UHFFFAOYSA-N 352.463 5.369 0 40 FKAB O=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Nc2ccccc21 70037631 LUFIGBSJRBGVNL-QGZVFWFLSA-N 374.387 5.288 0 40 FKAB COc1cccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)c1 100369376 WZYPLMDBSNRSTK-LYBHJNIJSA-N 371.392 5.070 0 40 FKAB biogenic Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)o2)cc1C 107652028 CBJUZPYIGLAZJE-UHFFFAOYSA-N 360.457 5.416 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccccc2Cl)cc1C(C)C 223387546 ODQNKPYPVCOMLJ-OAHLLOKOSA-N 359.897 5.200 0 40 FKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COCC(C)C 224454557 BHXZWPMYAVASHQ-UHFFFAOYSA-N 355.478 5.045 0 40 FKAB Cc1ccc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1C 225139601 CHXPYFPPUZNKHG-QFIPXVFZSA-N 362.425 5.170 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1Cl 225549611 NIDBUYPAFBIPSS-UHFFFAOYSA-N 361.844 5.328 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CC2)cc1 225940743 BTAMGUOPVMOQLS-UHFFFAOYSA-N 373.496 5.853 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 245240350 PISMGMNRZZPIQZ-FQULXSMESA-N 360.538 5.310 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CSc2ccccc2)cc1 409028522 OONBDFXIPXIYML-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB CCCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1Cl 409112570 FAULNLPTJCEEOW-UHFFFAOYSA-N 358.696 6.356 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 409117695 MAEWWXKKBOLQRZ-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB FC(F)Oc1ccc2ccccc2c1CN1CCC[C@H](c2nccs2)C1 2037850119 ZGZXEVMDZSYFHV-HNNXBMFYSA-N 374.456 5.277 0 40 FKAB CC(C)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 652128 INDVEOCEORMTFI-UHFFFAOYSA-N 356.878 5.839 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12 840455 PCDSNZTUUXBEDW-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB Cc1cccc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)n1 998910 FRWZWHPZKHCUCW-UHFFFAOYSA-N 368.436 5.375 0 40 FKAB Clc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)c(Cl)c1 2253656 FQIBEULLBWESFQ-UHFFFAOYSA-N 368.223 5.791 0 40 FKAB COc1ccccc1[C@@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1 2296215 GXIGDOSVBBYTLJ-OXQOHEQNSA-N 369.892 5.814 0 40 FKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1cccs1 2425236 BTYXSRHXMLWYOT-IBGZPJMESA-N 353.487 5.302 0 40 FKAB O[C@H](CSc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21 4619460 NCDVLMVKQWXSDF-INIZCTEOSA-N 367.901 5.601 0 40 FKAB Clc1ccc(Nc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 4632329 NWISBBJOSIWTOA-UHFFFAOYSA-N 354.240 6.052 0 40 FKAB CCc1ccc(C(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1 6077187 KFWZRJTYVCOHSC-UHFFFAOYSA-N 374.465 5.182 0 40 FKAB Clc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 6172410 IJCLRCQQXIPEPK-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)c(Cl)c1 6243413 KZYPSRZHADMMDO-LBPRGKRZSA-N 360.910 5.289 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2C)cc1OCC 6309162 KICXSFUNIJRKCI-OAHLLOKOSA-N 367.445 5.030 0 40 FKAB CC[C@H](C)NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 8326672 PYKGEQJIGCKJJD-ZDUSSCGKSA-N 368.304 5.469 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 9141471 OZHPZMGJENEFKT-SECBINFHSA-N 355.331 5.017 0 40 FKAB COc1ccc2c(Cl)c(C(=O)N3CCCC[C@H]3C)sc2c1Cl 9514600 HULPQHGMCRFFIP-SECBINFHSA-N 358.290 5.231 0 40 FKAB CCSc1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 10252441 CHFBRFSIEJKHCQ-UHFFFAOYSA-N 354.500 5.103 0 40 FKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 10444237 HHYJQDDCMVMTSF-UHFFFAOYSA-N 359.425 5.091 0 40 FKAB CC(C)c1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 11368548 WWQZRMGYKRTPEF-UHFFFAOYSA-N 352.409 5.175 0 40 FKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c(C)c1 13364406 MMRPTQVIXRUZQN-NRFANRHFSA-N 373.431 5.694 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 13408723 YNJRCCQKMDWYDP-OPKHLUCYSA-N 360.582 6.233 0 40 FKAB biogenic C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Br 13689119 WSHVPAFHKWAIAT-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB CCC(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 14258402 MCPNZUSADTWBIU-UHFFFAOYSA-N 352.821 5.094 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 15832324 IJAXOTIEXVPHCR-UHFFFAOYSA-N 350.487 5.038 0 40 FKAB Clc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 16842525 JLGUYFUDDVMMIF-UHFFFAOYSA-N 351.862 5.342 0 40 FKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)C2CCCC2)n1 19690907 ZIRXFLWMIYFRFV-HSZRJFAPSA-N 362.517 5.143 0 40 FKAB COc1ccc2c(=S)c(-c3csc(C)n3)c(C(F)(F)F)oc2c1C 26571723 QWFXYHFKDJNOPS-UHFFFAOYSA-N 371.405 5.930 0 40 FKAB Cc1[nH]c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2c1C 27983315 JMVFKTPFTZJBHZ-UHFFFAOYSA-N 350.315 5.195 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(F)cc(F)c1 28210549 SGJYBRNZRPCJQI-UHFFFAOYSA-N 371.770 5.102 0 40 FKAB CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 32751210 GCBFVZDLXUOVMH-KRWDZBQOSA-N 362.395 5.113 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38849590 UOOOBFHXJKEXJU-OAHLLOKOSA-N 356.897 5.133 0 40 FKAB O=C(Nc1cccc(C2SCCCS2)c1)Nc1cccnc1Cl 65770858 NCBQMILKJNOTPH-UHFFFAOYSA-N 365.911 5.248 0 40 FKAB CCCCN1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214823 QSSFKIDHSJKRJN-SFHVURJKSA-N 361.530 5.170 0 40 FKAB O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccnc1Nc1cccc(F)c1 84372632 LOCPPKKXKIVNSU-GPMSIDNRSA-N 367.468 5.053 0 40 FKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2c[nH]c3ccccc23)cs1 102329231 RKJQABLMHUOGFE-IHRRRGAJSA-N 351.475 5.056 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 107039576 XYTDOJLXCPXBQH-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(=O)OCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118928964 JTBQFWLJEIHPGJ-KIYFCUGLSA-N 362.554 5.368 0 40 FKAB Cc1cc(CCC(=O)NCc2cncc(-c3ccsc3)c2)ccc1Cl 218814817 NBYUIXOGBDXZNB-UHFFFAOYSA-N 370.905 5.021 0 40 FKAB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 222974416 MGFOUQQJNKZSLN-QGZVFWFLSA-N 363.910 5.017 0 40 FKAB C[C@H](NC(=S)Nc1ccc(Sc2ccccc2)nc1)c1ccccc1 223958786 HIWGKNGHXDPIJW-HNNXBMFYSA-N 365.527 5.280 0 40 FKAB Nc1c(-c2ccccc2Cl)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225177394 NQXOHVKXDVUAAJ-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1conc1-c1ccccc1 225872305 ALZIWGNMFVWYKI-UHFFFAOYSA-N 372.449 5.745 0 40 FKAB Cc1c(C(=O)OC2CCCCC2)cccc1-c1cc2ccccc2oc1=O 226357926 VPMJFRXGPOCAPU-UHFFFAOYSA-N 362.425 5.258 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3cc(-c4ccc(C(=O)O)cc4)ccc3O2)c1 257242324 IBXXNOLDSYESEW-RUZDIDTESA-N 372.464 5.687 0 40 FKAB c1ccc([C@H]2N=C(c3cc4ccccc4s3)O[C@@H]2c2ccccc2)cc1 2297735874 VQJYTUADCWTVQR-FGZHOGPDSA-N 355.462 6.161 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 991967 SHDHZBPCZKBADY-UHFFFAOYSA-N 373.861 5.242 0 40 FKAB CCc1nc(-n2cnc3cc(C)c(C)cc32)c2c3c(sc2n1)CCCC3 1098285 BJTAQPRYVILJLY-UHFFFAOYSA-N 362.502 5.088 0 40 FKAB CC1(C)CC(=O)c2c(oc3cc4c5c(oc4cc23)CC(C)(C)CC5=O)C1 1580591 VJHVGRKGKVLKKX-UHFFFAOYSA-N 350.414 5.489 0 40 FKAB CCCCSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 2189409 ODVSQYFVKGYYCT-UHFFFAOYSA-N 370.543 5.760 0 40 FKAB CC(C)c1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1CCC2 2252673 NNYPZMNDJIXTPY-UHFFFAOYSA-N 366.534 5.596 0 40 FKAB c1ccc(-c2ccc([C@H]3C[C@@H](c4cccs4)n4ncnc4N3)cc2)cc1 2500006 UZHQQAPURLTEFW-MOPGFXCFSA-N 358.470 5.153 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)on1 3907636 LSIPVTZWRRUEOE-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccs2)N3)C1 4553419 LSJRKZSHXATLBC-ZBEGNZNMSA-N 360.548 5.780 0 40 FKAB CC(C)CCC[C@H](C)CCN(CC[C@@H](C)CCCC(C)C)CC(=O)O 4804072 GDMLLXZOASVDBX-SFTDATJTSA-N 355.607 6.078 0 40 FKAB CCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@H]2c3ccc(OC)cc3CC[C@H]12 4825761 WVDKBHOKKLQPOC-OJJQZRKESA-N 362.513 5.880 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Cl)c3)N=C(O)CCN21 5516659 BXZKYBFBJGFHHF-XBFAEUMISA-N 366.892 5.516 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccn2C)N3)C1 6273014 NBOMMDQGQCGHSJ-SJKOYZFVSA-N 357.523 5.057 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)cc1 6810649 ZIVAOCZOEACYDK-UHFFFAOYSA-N 369.848 5.174 0 40 FKAB CCCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 7260976 YKDAMAHYQNUQRF-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB Cc1cc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)no1 7286930 SKXPUMVUFXWEDU-UHFFFAOYSA-N 359.501 5.455 0 40 FKAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 7734583 JDERYRFNXWZEQD-LLVKDONJSA-N 371.786 5.403 0 40 FKAB COc1ccccc1[C@H](CCN[C@H](C)c1cccs1)c1ccccc1 9547984 YCLCFBSSPRTVOW-IEBWSBKVSA-N 351.515 5.630 0 40 FKAB C[C@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)OCc1ccccc1 12401836 NDLMPZJAGUDTAJ-MRXNPFEDSA-N 359.425 5.443 0 40 FKAB COc1ccc(-c2cc(NC(=O)c3c[nH]c4ccccc34)ccc2OC)cc1 12948225 FQVUFQWOWGTSQH-UHFFFAOYSA-N 372.424 5.104 0 40 FKAB O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 14200456 NYJAXBHGOVNZRX-IBGZPJMESA-N 368.383 5.199 0 40 FKAB COc1ccccc1NC(=O)N(CCc1cccs1)Cc1cccs1 14240997 JCHRYBDVFMLOFK-UHFFFAOYSA-N 372.515 5.095 0 40 FKAB Cc1cccc(-c2nn(Cc3ccccc3C)c(-c3cccc(C)c3)c2C)c1 17075315 VXHXCYRUXHIGQJ-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1 17117726 YHCDHMIOEWLTFF-VHXPQNKSSA-N 370.477 5.162 0 40 FKAB Cc1cccc(NC(=O)c2cccnc2Nc2ccc(C(F)(F)F)cc2)c1 22072423 BXHHKPSNPPXWHN-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C2CCCCC2)o1 22892399 OAFKAPIXZZBKDJ-CYBMUJFWSA-N 369.490 5.271 0 40 FKAB CCOc1ccccc1-c1noc(CSCc2ccc(Cl)cc2)n1 32879135 NXGUGGOQVGOTIY-UHFFFAOYSA-N 360.866 5.222 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 72217389 YJKXIAXMXWGXKD-OAHLLOKOSA-N 350.528 5.434 0 40 FKAB Cc1cc(C)c2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)[nH]c2c1 85345328 ITSQEFDKLSOSNP-UHFFFAOYSA-N 357.240 6.414 0 40 FKAB C[C@H]1CCc2c(-c3ccccc3)[nH]c(=S)c(C(=O)Nc3ccccc3)c2C1 95117591 ZTANSKYNEPEONM-HNNXBMFYSA-N 374.509 5.788 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(OCc2ccccc2)c1 218976865 KXNSKZRNGYZIET-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(SC)c1 222917008 AJVPTKQVWOYRFI-LJQANCHMSA-N 357.519 5.502 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccccc1OC 223330819 USODYAVECCHWAZ-JXFKEZNVSA-N 369.505 5.028 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223356007 CSPSZHKRUZCOIN-INIZCTEOSA-N 355.478 5.017 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 225265782 OLLHHQLJZRGKKF-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225540623 MEBKQMPGDVJNJR-UHFFFAOYSA-N 365.517 5.933 0 40 FKAB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c1 409112449 DGIWGCIRBMQIMJ-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1cccc(NCc2cccc(OCc3ccccc3Cl)c2)c1C 409114319 JBUVNJQYUBLYQB-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1cc(C)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 409215077 ZLVWWIHSFCXJBR-LICLKQGHSA-N 357.862 5.506 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12 840456 PCDSNZTUUXBEDW-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB O=C(/C=C/c1cccc(Cl)c1)Nc1ncc(Cc2ccc(F)cc2)s1 848305 KSVPOHVXPJWECO-RMKNXTFCSA-N 372.852 5.178 0 40 FKAB Clc1ccccc1C(SCc1ccccc1)SCc1ccccc1 1636932 ZGCRQUHDTJZIOR-UHFFFAOYSA-N 370.970 7.205 0 40 FKAB Cc1ccccc1N[P@]1(=O)OCCCN1Cc1ccccc1Cl 1667931 ZBYOZLJGPPQQHR-QHCPKHFHSA-N 350.786 5.091 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 1752458 IVTJISBLSQWDNA-UHFFFAOYSA-N 367.129 5.795 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1c(Cl)cccc1Cl 2082472 YHFIIKFUCXFFGH-FNORWQNLSA-N 361.055 5.952 0 40 FKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccc(Cl)c1 3369108 IWGGVEUTMGAHIJ-UHFFFAOYSA-N 368.889 5.595 0 40 FKAB Cc1ccc(NC(=S)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 4357565 GLAGESRCDGIHBW-UHFFFAOYSA-N 362.454 5.023 0 40 FKAB CSc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 4517410 UQJUOCTUBMJVHU-UHFFFAOYSA-N 360.438 5.469 0 40 FKAB CCSc1cccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 4585778 XLRPAHGFVXAZQE-UHFFFAOYSA-N 368.483 5.067 0 40 FKAB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)CC(C)C)oc12 5484356 QVGIXKWTLOENMC-UHFFFAOYSA-N 369.848 5.406 0 40 FKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Cl)c1)N2 6630661 KPXPTLDWYZDLPS-LSTHTHJFSA-N 371.864 5.151 0 40 FKAB Cc1nc(COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cs1 8071774 LCVJLUFRAUAVNR-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB Cc1cc(Br)ccc1NCc1cc(=O)oc2c(C)c(C)ccc12 8213664 OIKUUJFIOUQYKQ-UHFFFAOYSA-N 372.262 5.093 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccco4)cc3)oc2cc1C 10120406 LKOXKLOSTDLBNB-MDZDMXLPSA-N 372.424 5.034 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc4c3CCCC4)o2)cc1 11430025 HOAGPWVRAKLCDV-UHFFFAOYSA-N 360.457 5.100 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 14429831 IHFNHYZIQFQALG-UHFFFAOYSA-N 373.758 5.018 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(C)o3)c3ccccn3)oc2c1 15833121 ZIMZVGDRSMPNPN-UHFFFAOYSA-N 374.440 5.501 0 40 FKAB Cc1sc2nc(SCC(=O)c3ccc(C(C)C)cc3)nc(O)c2c1C 18182993 FIVWVQIEWRRQDB-UHFFFAOYSA-N 372.515 5.112 0 40 FKAB CCN1CCC[C@H](N[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 19802444 RONGSPKZYAIJGX-PKOBYXMFSA-N 372.965 5.162 0 40 FKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c(C)c1 21580243 SARBZHRMTYPGPC-UHFFFAOYSA-N 371.440 5.108 0 40 FKAB Cc1ccoc1C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 24659383 NHOISXPQXYSUJW-IBGZPJMESA-N 351.471 5.048 0 40 FKAB Cc1cc(C)c2c(CC(=O)N3c4ccc(F)cc4CC[C@@H]3C)coc2c1 27587313 LRNOARJKPSCFDH-HNNXBMFYSA-N 351.421 5.099 0 40 FKAB Cc1cc(Br)cn2cc(-c3ccc(Cl)cc3Cl)nc12 36318659 PGQAPDWXVVEWFJ-UHFFFAOYSA-N 356.050 5.379 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351363 OQYFCALUGPQVAK-XMSQKQJNSA-N 361.485 5.491 0 40 FKAB COc1ccc2c(-c3cccc4ccccc34)cc(C(=O)O)cc2c1OC 62702288 YWRKNOKPHXNERI-UHFFFAOYSA-N 358.393 5.375 0 40 FKAB CN(C(=O)c1csc(-c2ccccc2Cl)n1)c1cc(F)ccc1F 66358352 OIFZHXZTMFLYHM-UHFFFAOYSA-N 364.804 5.018 0 40 FKAB Cc1cc(Br)ccc1NC(=S)Nc1cccc(Cl)c1F 71760643 XWBKTCBYNZKCLQ-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB Cc1cc2[nH]c(-c3cc(Br)ccc3Cl)nc2cc1Cl 73639912 ABHXLXCHJXKGSF-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB COC[C@H]1[C@@H]2CC[C@@H]([C@H]1COC)C2(Cc1ccccc1)Cc1ccccc1 104068292 UMROHYYIRSCRMU-KIHHCIJBSA-N 364.529 5.023 0 40 FKAB S=C(NCCC1=CCCCC1)Nc1ccc(Br)c(Cl)c1 106994838 ADFCXEPBHPCLKD-UHFFFAOYSA-N 373.747 5.279 0 40 FKAB C1CCC([Sn](C2CCCCC2)C2CCCCC2)CC1 195807614 RNVJQUPAEIQUTC-UHFFFAOYSA-N 368.173 6.484 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C 223437806 ZCESURGGJROXQC-HXUWFJFHSA-N 364.533 5.089 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)C1(c2ccccc2)CCOCC1 223516416 QJBZBPYDJTYDKV-UHFFFAOYSA-N 373.452 5.166 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2 224940643 FXOHTAJRJVYQOM-UHFFFAOYSA-N 351.449 5.663 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=S)NCCC1=CCCCC1 225192628 UZAVLEFDINONCD-UHFFFAOYSA-N 367.356 5.243 0 40 FKAB CCc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1 225399074 BXQHZXNYTFNIOQ-RUZDIDTESA-N 357.497 5.314 0 40 FKAB CC(C)Oc1ccc(CCCNC(=S)Nc2cccc(Cl)c2)cc1 225567937 QWOVWBIGQWOEHA-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 225672261 PFSPQKVGJOHMOP-SFHVURJKSA-N 354.519 5.201 0 40 FKAB COc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1Cl 225853393 CJQPMNACSKLAJW-UHFFFAOYSA-N 360.910 5.105 0 40 FKAB CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(C)OC(=O)CC)[C@@H]2CC1 263593642 BMRFXSRZXNRFQD-FWDUKEBRSA-N 372.549 5.801 0 40 FKAB Fc1cccc(COc2cccc(CNc3ccc(F)c(Cl)c3)c2)c1 408604892 FQHILBWQQIQYBE-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB CCc1ccccc1NCc1cccc(OCc2ccc(Cl)cc2)c1 409114443 JOSGDHWWUORJIX-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(Cl)(Cl)Cl 575362577 ARTGKPBRWQREPY-UHFFFAOYSA-N 370.379 5.021 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 997931 GJYUAYFPEYKUPE-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(NC(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1 1261297 UGLKIFSLDYDJTO-UHFFFAOYSA-N 366.490 5.455 0 40 FKAB CC(C)Cc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 1456710 CJWHPZQUAIRAFN-UHFFFAOYSA-N 358.485 5.336 0 40 FKAB CC1(C)CCCN1CCCN1c2ccccc2Sc2ccc(Cl)cc21 1655420 JENZABRNBGEMCV-UHFFFAOYSA-N 372.965 6.207 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1Cl 1911540 WMWCFSAWTCNUBF-UHFFFAOYSA-N 372.251 5.678 0 40 FKAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1c(Cl)cccc1Cl 2055654 CTGMHWXJDBJRDB-WOJGMQOQSA-N 368.219 5.491 0 40 FKAB CCc1ccccc1/N=c1\ssc2c1-c1cc(C)ccc1NC2(C)C 2282789 YWVKTZKDWPAGMJ-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB c1ccc(-c2ccc(Nc3ncnc4sc5c(c34)CCCC5)cc2)cc1 2680281 MFFGWTQJBSJKQR-UHFFFAOYSA-N 357.482 5.981 0 40 FKAB O=C(COc1cc(Cl)c(Cl)c(Cl)c1)c1ccc(Cl)cc1 3163604 ZUEBXONCJCSPJV-UHFFFAOYSA-N 350.028 5.562 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Oc1ccccc1 3191871 UWKPZZXAQXJAEJ-UHFFFAOYSA-N 367.426 5.203 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Cl 3408165 CKGJPSXZASTTIU-CYBMUJFWSA-N 366.288 5.831 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 5418219 BLQQANOVYWBZAO-STZQEDGTSA-N 360.538 6.263 0 40 FKAB Cc1cccc2c(C(F)(F)F)cc(Sc3ccc(Cl)cc3)nc12 5620026 PLNOIDZSYKCVET-UHFFFAOYSA-N 353.796 6.367 0 40 FKAB Cc1ccc(-c2cc(OC(=O)c3cccs3)cc3sc(=O)oc23)cc1 6809668 VPWPPKONCBADMO-UHFFFAOYSA-N 368.435 5.111 0 40 FKAB Cc1cccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)c1C 8415090 KAODPEPVVLDCKS-UHFFFAOYSA-N 372.921 5.139 0 40 FKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(C)c(C)c3)ccc1O2 9135027 JOQAQMKUNMTOON-UHFFFAOYSA-N 372.424 5.222 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 9660048 KBVQHYRLDADPCI-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic Cc1c(Cl)ccc(OCC(=O)Nc2ccc(OCC(C)C)cc2)c1C 12138064 VIVIBKZIWYISLS-UHFFFAOYSA-N 361.869 5.009 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccco1 13000023 LSSSACKDBDOSPH-UHFFFAOYSA-N 358.469 5.445 0 40 FKAB O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1cc2ccccc2o1 22196500 JEOITCHFQRWJNF-NRFANRHFSA-N 360.388 5.483 0 40 FKAB Cc1cc(NCCC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 23114971 KEJDZWYQZQXTOK-UHFFFAOYSA-N 362.399 5.182 0 40 FKAB O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)c1ccccn1 27745186 RSLZVRYHMMREEH-UHFFFAOYSA-N 368.845 5.390 0 40 FKAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1cccc(Cl)c1Cl 31714949 DHEBSOUZZHWLNB-LLVKDONJSA-N 354.302 5.133 0 40 FKAB CC1(C)C[C@H](NCC[C@](C)(c2cccc(C(F)(F)F)c2)C2CC2)CCO1 32087945 MXIQFLMWRRVXLL-QUCCMNQESA-N 369.471 5.310 0 40 FKAB Cc1ccc2nc(-c3ccccc3O)c(Nc3cccc(Cl)c3C)n2c1 35616530 LELWSUPZKMLJID-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 38856137 TXKTZCRJVUPLLC-UHFFFAOYSA-N 350.506 5.096 0 40 FKAB Cc1cccc(CN2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1 39773403 GRIFPACUNSMXMN-UHFFFAOYSA-N 364.533 5.278 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCc1ccc(Cl)cc1 40141686 HERQHFPMVKBIKC-UHFFFAOYSA-N 367.880 5.104 0 40 FKAB O=C1CC[C@H](Sc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 65090578 AVBBTMMRNYBDIZ-GMAHTHKFSA-N 359.494 5.716 0 40 FKAB Cc1cc(C)c2nc(-c3cc(Cl)c(Br)c(Cl)c3)[nH]c2c1 70462779 LRBOKYWGQUEWCP-UHFFFAOYSA-N 370.077 5.916 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1F 71761680 LRHRIRSDLCBYGW-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB O=C(O)[C@@H](Cc1nc2ccccc2s1)C1c2ccccc2-c2ccccc21 85388828 XWYJKMHMAZDJCW-SFHVURJKSA-N 371.461 5.352 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1C 98073303 GSWJJUZMLUMLSO-SFHVURJKSA-N 357.453 5.277 0 40 FKAB CC[Si](C)(CCC(F)(F)F)CO[P@](C)(=O)Oc1ccccc1 195529465 DVLVWNGQFRSODE-HMTLIYDFSA-N 354.381 5.495 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(-c4nc5cc(C)cc(C)c5o4)cc3)nc2c1 196231173 BKOJYTWWKMMDHX-UHFFFAOYSA-N 368.436 6.537 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 216886785 FXXBLSUDHWPATE-BJMVGYQFSA-N 351.229 5.149 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 222848809 XKTVNHAPWJWTFS-HOTGVXAUSA-N 373.924 5.591 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(-c2ccccc2)on1 224064649 NEYGHDVOPOMYPT-UHFFFAOYSA-N 372.449 5.745 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533466 OYBNLEJIDUDFLP-GOSISDBHSA-N 351.490 5.705 0 40 FKAB S=C(NCCCc1cccc2ccccc12)Nc1ccc(Cl)cc1 225808155 DFXNITLWRKITKZ-UHFFFAOYSA-N 354.906 5.412 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSCc1cccc2ccccc12 408601640 LCQPYVLCUHEQBP-UHFFFAOYSA-N 355.890 5.674 0 40 FKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 409110451 CERURVFUCQNJIL-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(C)cc3)ccc21 585105873 VRXTYFDSGPZEDT-SFHVURJKSA-N 363.501 5.103 0 40 FKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C)c(C)c1 940242 HSZLDZFTIRIGMF-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB FC(F)(F)c1cnc(-n2nccc2-c2sccc2Cl)c(Cl)c1 1386044 KUCGMFXCNZOEKB-UHFFFAOYSA-N 364.179 5.321 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(C)o1 1465648 AQVNXMFATBUVPI-UHFFFAOYSA-N 369.442 5.054 0 40 FKAB Fc1ccc(CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 1915568 OCKIXPCMUFGGLQ-UHFFFAOYSA-N 370.449 5.929 0 40 FKAB Cc1ccc(-c2nc3cc(NCc4ccc(C(C)C)cc4)ccc3o2)cc1 2049707 YUNHJTWDFKAXGW-UHFFFAOYSA-N 356.469 6.539 0 40 FKAB CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@@H]1[C@@H]2C 2101485 YMIQZMUWJPTDGH-PGARCCCSSA-N 366.457 5.043 0 40 FKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCO[C@H](C(C)C)C1)Cc1ccco1 2109294 VZERSZHVJOABSL-VXKWHMMOSA-N 363.542 5.276 0 40 FKAB biogenic COc1cccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCCCC5)c1 2149744 WYANFVWBWHBGLY-UHFFFAOYSA-N 360.409 5.484 0 40 FKAB biogenic Cc1cccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)c1 2232374 GBDLXZGPOMQLGM-UHFFFAOYSA-N 354.457 5.245 0 40 FKAB CSc1nc(NC2CCCCC2)c2c3c(sc2n1)COC(C)(C)C3 2233259 DHSIXXDUZGYFLE-UHFFFAOYSA-N 363.552 5.009 0 40 FKAB CC(C)(C)c1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 2344023 HONRFMOKJWSVTH-UHFFFAOYSA-N 374.513 5.405 0 40 FKAB CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 3088132 JGCPHMVMWCBRSR-UHFFFAOYSA-N 358.869 5.420 0 40 FKAB CC(C)Oc1ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c1 3270862 ZSCBJHATNKCRCV-UHFFFAOYSA-N 366.310 5.405 0 40 FKAB Brc1cc(Br)c2nc(-c3cccs3)ccc2c1 4051014 PTYRKABTXKOOKE-UHFFFAOYSA-N 369.081 5.488 0 40 FKAB aggregator Cc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 4070401 NUAKHCUGBQDXBF-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB OCC[n+]1c(-c2ccccc2)cc(-c2cccs2)cc1-c1ccccc1 4672480 XYCYISLAPUTACY-UHFFFAOYSA-N 358.486 5.029 0 40 FKAB CN(C)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 4793781 XCIXODPSRRFWQO-UHFFFAOYSA-N 350.465 6.149 0 40 FKAB Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2c1 4970329 KXSQJWBXGJOVKM-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB CC[C@H](C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 5047205 CHLIXCRPZUFLQJ-INIZCTEOSA-N 370.452 6.308 0 40 FKAB CC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 5149555 FPDKRJJZKBRCTP-UHFFFAOYSA-N 372.443 5.753 0 40 FKAB O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(C(F)(F)F)c1 5192601 AXYORSCESCYMIT-UHFFFAOYSA-N 372.371 5.721 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 5681833 FVVUFTXFMCPUAO-UHFFFAOYSA-N 364.876 5.684 0 40 FKAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N1CCc2ccccc21 5780539 SCCMBTWUSKKCNB-LLVKDONJSA-N 374.918 5.020 0 40 FKAB c1ccc(-c2nc3ccccc3nc2COc2cccc3cccnc23)cc1 6530233 NLTDQHFBMHGSDL-UHFFFAOYSA-N 363.420 5.424 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 6885428 XBUFCBIFEXIDGR-UHFFFAOYSA-N 373.239 6.430 0 40 FKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3c(C)noc3C)cc2)c1 6947863 DXBAPFZWSPZPLJ-UHFFFAOYSA-N 352.459 5.312 0 40 FKAB O=C(Nc1cccnc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 8071958 AILKQQOABOQEMR-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB Cc1ccc2nc(-c3ccccc3)c(CN(C)Cc3ccccc3)c(O)c2c1 8700920 RHQUHYUJROLTJW-UHFFFAOYSA-N 368.480 5.548 0 40 FKAB Cc1ccc(Nc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 9242367 PUYQLBOFADKHMS-UHFFFAOYSA-N 351.409 6.095 0 40 FKAB Cc1cccc(CSCCNC(=O)CCc2ccc(C(C)C)cc2)c1 10328497 KQWXEDMBXUDWCQ-UHFFFAOYSA-N 355.547 5.101 0 40 FKAB Clc1ccc(OCc2nnc(SCc3cccc(Cl)c3)o2)cc1 12249619 KAUNODLXBINRND-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB CCN(c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccc(C)cc1 12523811 XJTZIRNJYRQNTP-UHFFFAOYSA-N 369.468 5.386 0 40 FKAB Cc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1C1CC1 12561522 OMAPGHAMRIHJRQ-HSZRJFAPSA-N 354.457 5.429 0 40 FKAB O=C(Nc1cc(F)ccc1F)c1cc(-c2ccco2)nc2ccccc12 12822450 OJSWYUUNJKSTQR-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 13710813 SUUTYVGTPLZUGG-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB O=C(c1cc(-c2ccccc2)c2nc3ccccc3n2c1)c1ccccc1O 14013520 BMTBBECFTUSXIB-UHFFFAOYSA-N 364.404 5.091 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)c(C)c1 20456134 YITHMTSRXRHISR-HXUWFJFHSA-N 357.497 5.580 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 20485276 WTRHAQUGPMHSBN-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccccc1Cc1ccccc1 24791173 SDEODNJOUYFEGG-UHFFFAOYSA-N 372.443 5.387 0 40 FKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccccc1Cl 35647380 SHPCPUSFJSEUSD-VGOFMYFVSA-N 367.232 5.024 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)OC3CCCCC3)ccc12 38267467 QCXKUZPMZZWKFW-XMMPIXPASA-N 370.769 5.306 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc(C)c1Cl 40913286 KYQCRGKMRCEAAN-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB O=C(COc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59960921 GDDRQLNBELLGKF-UHFFFAOYSA-N 361.485 5.172 0 40 FKAB O=C(c1cccc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 96012494 FGTDABWNXPXRBU-SFHVURJKSA-N 368.795 5.064 0 40 FKAB Fc1ccc(/C=C2/CCCC3=C2NC(=S)N[C@H]3c2ccc(F)cc2)cc1 96400825 JDCHOZXTHQAWCS-RYBIEJRYSA-N 368.452 5.005 0 40 FKAB Clc1c(Cl)c(Cl)c(S[C@@H]2C3C[C@@H]4C2[C@H]4C3)c(Cl)c1Cl 104205553 VMRNTOXMEGDGLH-PFHLPIOWSA-N 374.547 6.700 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 219952241 MJVJKUZEQFWVQQ-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB COc1cc(C=O)cc(Cl)c1OCc1ccc(-c2ccccc2)cc1 226233478 KHCFMYXLUAOZJL-UHFFFAOYSA-N 352.817 5.407 0 40 FKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1F 409188750 AEQVMAOLQNGVKJ-UHFFFAOYSA-N 365.429 5.690 0 40 FKAB O=C1C[C@H](c2cccc(Br)c2)Nc2ccc3ccccc3c21 844695 AINKKTCYNXDARN-QGZVFWFLSA-N 352.231 5.342 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 971752 LAHWPVBCVGTJSA-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)cc1 2085653 HHYQVHNXEAHONG-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB C[C@@H](Nc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1)c1ccccc1 2652607 GBDDNKPBYFGYGA-MRXNPFEDSA-N 368.505 6.554 0 40 FKAB CC(C)(C)c1cc(C(=O)Nc2nc3ccccc3s2)cc(C(C)(C)C)c1 3182136 VXDCZXWGLXKPLD-UHFFFAOYSA-N 366.530 6.144 0 40 FKAB O=C(Cc1cccc2ccccc12)N1c2ccccc2CCc2ccccc21 3214677 DZDUQVWXNKDDTF-UHFFFAOYSA-N 363.460 5.846 0 40 FKAB Cc1sc2ncnc(N3CCC[C@@H]3c3nc4ccccc4s3)c2c1C 3459946 PBKXORUTZWQZNF-CQSZACIVSA-N 366.515 5.259 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1c(F)cccc1F 4194729 WYCLFVSBFWBYHF-UHFFFAOYSA-N 366.392 5.494 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc12 4291776 VMSRDCOSCFKKHM-UHFFFAOYSA-N 351.308 5.138 0 40 FKAB O=C(CCC1CCCC1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 4659820 OJNQWBSZNTWTQA-UHFFFAOYSA-N 370.880 5.501 0 40 FKAB Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 5461564 MHVFYFSNWRTKAU-IFMALSPDSA-N 373.887 6.144 0 40 FKAB CCCCCc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 5614870 SKDNGGMCOXRNGB-UHFFFAOYSA-N 353.849 5.986 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Br)cc1 6402696 UOAWUVBJKARZIG-UHFFFAOYSA-N 372.287 5.333 0 40 FKAB Cc1ccc([C@@H](NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1 7984405 CNKKUALOXYRRLC-DEOSSOPVSA-N 353.469 5.060 0 40 FKAB Cc1c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)oc2ccccc12 9052354 UGELLJSMBNBXHG-INIZCTEOSA-N 362.454 5.328 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccc4ncsc4c3)n2)s1 11513172 BRXJLFSCTLHELI-UHFFFAOYSA-N 357.485 5.042 0 40 FKAB COCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C 12447310 KIKWLYDAMJROQK-UHFFFAOYSA-N 366.505 5.474 0 40 FKAB CC(C)[C@@H](CCC[C@@H](C)C[C@@H](O)Cc1ccccc1)Cc1ccccc1 13404717 VTHTXJLWIHKOGX-IEZKXTBUSA-N 352.562 6.301 0 40 FKAB Cc1c(Cl)cccc1NC(=S)NCCc1ccc(C(F)(F)F)cc1 13636528 RNERRYZPCJRZDD-UHFFFAOYSA-N 372.843 5.196 0 40 FKAB C[C@@]1(c2cccc3ccccc23)Nc2ccccc2-c2nc3ccccc3n21 13776978 MPERLBUNVVYSOI-RUZDIDTESA-N 361.448 6.003 0 40 FKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(Cl)ccc1Cl 14910419 YIGOXBRQPFSPPB-UHFFFAOYSA-N 374.271 5.322 0 40 FKAB Cc1cccc(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 22072421 FUGVMFBCGPSHNZ-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB CCC(CC)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 28284512 NLSPIUQHMZOHPJ-UHFFFAOYSA-N 367.312 5.256 0 40 FKAB Cc1cc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)no1 32842946 SXBZHOSGBCRVIZ-UHFFFAOYSA-N 362.307 5.046 0 40 FKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCc3ccccn3)o2)cc1 36725805 CQXXCESKLGWSPT-UHFFFAOYSA-N 370.408 5.069 0 40 FKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1 38183530 FRFACSKCYHYQIY-LZYBPNLTSA-N 354.818 5.062 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1C 38756569 VJGOXPKWZMVTKG-ROUUACIJSA-N 353.506 5.246 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1C 38756573 VJGOXPKWZMVTKG-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB CCCCc1ccc(CC(=O)Nc2ccc(F)cc2C(F)(F)F)cc1 78743245 ZUZYSUYWKQWWFL-UHFFFAOYSA-N 353.359 5.368 0 40 FKAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 96137109 UHGFRNDIVHDPFL-BQYQJAHWSA-N 369.408 5.043 0 40 FKAB Cc1oc(-c2cc(Cl)cc(Cl)c2)c(C)c1-c1nn2cnnc2s1 96306129 NYKIXWJGDHYIIU-UHFFFAOYSA-N 365.245 5.036 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1Cl 106971080 OJZPPVNDKBEJRY-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl 199830575 RFTFAEUKVICIKY-ZDUSSCGKSA-N 360.679 5.175 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 222891461 NBQSBKIQOTXLMC-HTAPYJJXSA-N 367.533 5.581 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223021886 MDXRTDSUHWLJEK-HTAPYJJXSA-N 367.558 5.622 0 40 FKAB CC(C)Oc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 224845824 LPBSQKLMEXWGDC-UHFFFAOYSA-N 367.873 5.138 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 224893103 GKPVQYBRPYQPNJ-UHFFFAOYSA-N 368.436 5.878 0 40 FKAB CCc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 409109777 LFEVZAOKZYDHFQ-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1 409134826 OFXCVRQLAPCPGF-ACCUITESSA-N 368.263 6.312 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)cc1 714964 IWIGQJKWMNVSOD-UHFFFAOYSA-N 371.845 5.327 0 40 FKAB CCCN(C(=O)c1cc(C)cc(C)c1)c1nnc(-c2cccc(F)c2)s1 1345490 JHJNERYEWXDQQW-UHFFFAOYSA-N 369.465 5.018 0 40 FKAB COc1ccccc1-c1coc2cc(OCc3ccccc3C)ccc2c1=O 1463842 PPTITFCYMITDMS-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic c1ccc2c(c1)C1c3ccccc3C2C2c3ccccc3C1c1ccccc12 1684123 JUTIJVADGQDBGY-UHFFFAOYSA-N 356.468 6.555 0 40 FKAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccc(Cl)c(Cl)c2)OC1=O 2648680 IBSYHQIXOIAFEW-MFOYZWKCSA-N 371.223 5.128 0 40 FKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCCCCC3)cc2)cc1 2750348 LJDXWYMIGOIHFS-UHFFFAOYSA-N 365.517 5.579 0 40 FKAB O=C(Nc1ccccc1)c1csc(-c2ccccc2)c1-c1ccccc1 3010346 ZMUCBEWSJPNQQT-UHFFFAOYSA-N 355.462 6.334 0 40 FKAB CCCC1CCC(C2CCC(CC(=O)c3ccc(F)c(F)c3)CC2)CC1 3108558 NSRAFFKFOKREER-UHFFFAOYSA-N 362.504 6.951 0 40 FKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 3361811 YACQUDDHVLCUIJ-UHFFFAOYSA-N 354.262 5.157 0 40 FKAB Cc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cs1 3413031 NDEUFMQYXFLIFK-UHFFFAOYSA-N 364.495 6.066 0 40 FKAB CC[C@@H](C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1ccccc1 3433660 LFLBTPSNXYPCBA-GOSISDBHSA-N 364.514 5.868 0 40 FKAB Cc1cccc(OCCCn2c(/C=C/c3ccccc3)nc3ccccc32)c1 4171465 BAHYQLDFCWJSTH-FOCLMDBBSA-N 368.480 5.984 0 40 FKAB O=C(CCC1CCCC1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 4659816 ZJBSQBWGMRELQR-UHFFFAOYSA-N 370.880 5.501 0 40 FKAB Cn1c(-c2ccccc2)cnc1NCc1ccc(OCc2ccccc2)cc1 4678622 SPNXTDFMEGCVTK-UHFFFAOYSA-N 369.468 5.278 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccc(Cl)c1 4837931 IUOFNAPDZIBOEA-UHFFFAOYSA-N 364.788 5.106 0 40 FKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C)c2c1 4906638 UJTJHNHBQLUCKA-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2ccccc2C)s1 4982402 ZTRZPOHYLMLPMX-UHFFFAOYSA-N 365.502 5.269 0 40 FKAB CCCn1c2ccccc2c2cc(/C=C/c3nc4ccccc4s3)ccc21 5194200 VLQXQJRPVHANFD-WYMLVPIESA-N 368.505 6.985 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc2c3c(cccc13)CC2 5524364 OHQWHKWENCMAMO-HSZRJFAPSA-N 353.550 5.654 0 40 FKAB CCCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 6246256 FGSHOGFMZCCMQD-UHFFFAOYSA-N 372.896 5.371 0 40 FKAB FC(F)(F)CCSc1nnc(-c2cccs2)n1-c1ccccc1 6590931 XRTJTZZZPLJDRU-UHFFFAOYSA-N 355.410 5.040 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 6965719 QJYFNZRFEQIJDX-QUJCMNEKSA-N 374.267 5.827 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2s1 7958487 SMXKOTMKUNGLDV-UHFFFAOYSA-N 372.449 5.088 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3Cl)ccc2c1 12773337 KIXZOIWCPHNXCG-HNNXBMFYSA-N 367.876 5.264 0 40 FKAB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 12775651 LFGLNXLWOPZNSE-INIZCTEOSA-N 358.466 5.239 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774772 SXBGHHIWJUBHRM-MRXNPFEDSA-N 354.563 6.155 0 40 FKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 14255452 DXERVECISWSEOG-UHFFFAOYSA-N 364.681 5.064 0 40 FKAB C[C@@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)c4ccccc4)c23)C1 19646403 MOCUYYNLZOLDIE-CHWSQXEVSA-N 368.527 5.180 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 20454177 AGJGERSSAGLPGA-MRXNPFEDSA-N 365.951 5.961 0 40 FKAB O=C(Nc1cccc2ccccc12)N1CCC(Nc2ccc(F)cc2)CC1 65624007 OQADNFAYUNYQGH-UHFFFAOYSA-N 363.436 5.087 0 40 FKAB Cc1ccc(OCc2nnc(SCc3cc4ccccc4s3)o2)cc1 95468104 IEWKBJNLZGUMFE-UHFFFAOYSA-N 368.483 5.464 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccc2cc[nH]c2c1 96115219 UZIQLIYSZNKGMT-KRWDZBQOSA-N 363.848 5.110 0 40 FKAB biogenic ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 100066778 QBYJBZPUGVGKQQ-WRQDIQAASA-N 364.914 5.270 0 40 FKAB in-vitro OC1=C2C(=Nc3ccccc3S[C@H]2c2ccccc2F)c2ccccc21 101429143 UCUREKPTBSIAOJ-QFIPXVFZSA-N 359.425 6.076 0 40 FKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118935444 YHTRVWPOAJKWBV-CVSNRTSLSA-N 374.609 6.625 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 118936488 BRZLCOPFROJRBE-IDCUTJFMSA-N 366.492 5.452 0 40 FKAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCC2 223146645 WQBUJSFIRVWMCB-GOSISDBHSA-N 355.481 5.185 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1C(C)C 223330131 PRMPAYIWLWGTMO-MSOLQXFVSA-N 369.505 5.080 0 40 FKAB Cc1ccc(S[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1 225139953 ZCTFCUXWEHNTMY-NRFANRHFSA-N 364.466 5.575 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)c(C)c1 225298112 QVYJTRZSDYSNEY-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1Cl 225660596 NOWJWKYIPDXQBU-UHFFFAOYSA-N 367.917 5.587 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1C 225714261 RVFLNZRDOYAMBL-QGZVFWFLSA-N 366.452 5.760 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225737815 QKMWESGRXMGNBL-QFIPXVFZSA-N 355.478 5.190 0 40 FKAB S=C(Nc1cccc(Cl)c1)NC1(c2ccccc2Cl)CCCC1 225844531 INFABBRKEKFUKM-UHFFFAOYSA-N 365.329 5.749 0 40 FKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409134351 OHKJRYXFFVXKCT-LDADJPATSA-N 359.491 5.090 0 40 FKAB Cc1cccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C 682502 QPLKKKRZKIPJIP-SFHVURJKSA-N 357.453 5.277 0 40 FKAB CC(C)(C)NC(=O)O[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 702017 YYKFDERYBVOISD-HNNXBMFYSA-N 361.894 5.613 0 40 FKAB CC(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 863031 QHISZAOAVBTJPN-UHFFFAOYSA-N 364.253 5.663 0 40 FKAB COc1ccccc1NC(=O)c1ccc(COc2cccc3ccccc23)o1 1083423 CXMFFUWTHXCCKG-UHFFFAOYSA-N 373.408 5.273 0 40 FKAB Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4C)c3)oc2cc1C 1413994 HYZMNZWNZYBYPZ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1C 1892121 LUNPFXUEQHJVRT-NJNXFGOHSA-N 359.856 6.602 0 40 FKAB CC(C)O[C@@H]1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 2024348 ORTRBOFLFKTAHR-IBGZPJMESA-N 362.473 5.351 0 40 FKAB CC(C)CNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2297736 BHYLWRCAKXZSLJ-UHFFFAOYSA-N 354.523 5.310 0 40 FKAB CCc1nc(SCc2ccccc2Cl)c2oc3ccccc3c2n1 2402604 LGUJYORYWXLQRZ-UHFFFAOYSA-N 354.862 5.884 0 40 FKAB CC[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 2720684 JSMSFABWPBPGNR-AWEZNQCLSA-N 363.486 5.066 0 40 FKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1Cl 2961381 STDPADHHGWOHFI-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB O=C(NCc1ccccc1)c1cccc(CSc2ccc(Cl)cc2)c1 3448398 YIEWKRCVGYXXFH-UHFFFAOYSA-N 367.901 5.562 0 40 FKAB COc1cccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)c1 4356557 LAJCBVOAJJIILG-UHFFFAOYSA-N 360.841 5.237 0 40 FKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(F)cc3)nc12 4678342 MYYWZRQDOOJOLS-UHFFFAOYSA-N 360.219 5.453 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1 4702643 KZRJXPLKLZMYRN-QHCPKHFHSA-N 368.436 5.235 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2C)cc1 4815385 LVHBKSCZEFQCTO-UHFFFAOYSA-N 351.377 5.187 0 40 FKAB CC[C@]1(C)Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5529318 CGPCWSZRLBYPDI-PXNSSMCTSA-N 356.853 5.018 0 40 FKAB Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1Br 6079116 TUFACVKAOYVSOE-UHFFFAOYSA-N 362.311 5.303 0 40 FKAB CC[C@@H]1CCCCN1Cc1c(C)nc2ccc(OCC(C)C)cc2c1O 8717498 XKLMCFBOUQZMRQ-QGZVFWFLSA-N 356.510 5.048 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)C[C@H]12 10272315 BXEKJWVUCNPPSL-PCXQSMBRSA-N 362.557 6.682 0 40 FKAB biogenic Nc1ccc(-c2csc(Nc3ccnc4cc(Cl)ccc34)n2)cc1 13213497 FPOWWMKYLILCFX-UHFFFAOYSA-N 352.850 5.338 0 40 FKAB CCOC(=O)c1ccccc1/C=C\c1ccccc1C(=O)Oc1ccccc1 13404217 WGGPZKBXIFYJAR-MSUUIHNZSA-N 372.420 5.253 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)c(C)c1)C(C)(C)N2 13562038 IIMARKXHTOLCIF-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 15014113 KUFQWDILGREOAR-HNNXBMFYSA-N 358.677 5.425 0 40 FKAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3ccc(Cl)cc3)c2C)cc1 17315218 ZCXJWTDWQDNABK-MRXNPFEDSA-N 367.924 5.361 0 40 FKAB CCCCOc1ccccc1-c1n[nH]c(SCc2ccc(F)cc2)n1 26505504 PJMJEFFTFDLGAI-UHFFFAOYSA-N 357.454 5.082 0 40 FKAB Cc1cccc(OCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c1C 27795315 ZBRPGIUCICZKMW-UHFFFAOYSA-N 369.848 5.162 0 40 FKAB O=C(Oc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 27987123 HEOLKLJLQCKHEU-UHFFFAOYSA-N 374.827 5.412 0 40 FKAB O=C1c2cccc3cccc(c23)[C@@H]1[C@@H](Sc1ccccc1)c1ccccc1 28294685 BLDWPPBXFJYBGS-ZCYQVOJMSA-N 366.485 6.653 0 40 FKAB COc1ccc(S[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 30870563 OAYCCXLKMMYPIG-OXQOHEQNSA-N 357.519 5.079 0 40 FKAB Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cn2cc1Br 32508815 XYGVDHLZJPVPAO-UHFFFAOYSA-N 356.050 5.379 0 40 FKAB Clc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 33171489 LLAQZMVLTJXHKD-UHFFFAOYSA-N 359.863 5.166 0 40 FKAB COc1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cc(C)ccn23)c1 35616251 HAAUOGGYKCLCQZ-UHFFFAOYSA-N 372.472 5.128 0 40 FKAB Cc1cc(Br)c2oc(-c3ccc(Br)cc3)nc2c1 40542309 ZWXGMOJBQOJMAP-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 59351515 LSGWCECASXSEAU-SJORKVTESA-N 359.897 5.218 0 40 FKAB Fc1ccc(Cl)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761661 ZNWOXMKZIOXMHX-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CCOC(=O)Nc1sc(-c2cccc(OC)c2)nc1-c1ccc(F)cc1 72427642 DWNDWINBSWWUKT-UHFFFAOYSA-N 372.421 5.193 0 40 FKAB CN(Cc1cccc2ccccc12)C(=S)Nc1ccc2ccccc2c1 83864199 ULIOUIFWVGAHJU-UHFFFAOYSA-N 356.494 5.822 0 40 FKAB C/C(=C\CN1C(=O)c2ccccc2[C@@H]1O)c1ccc(C2CCCCC2)cc1 96319437 WOKJJVMFTIXPCZ-GGJDQLKOSA-N 361.485 5.285 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102069941 XTBWKYKKEDBKBF-RCRDTURJSA-N 372.921 5.326 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216841047 UIFJBXWTFLRWMI-HUUCEWRRSA-N 354.881 5.911 0 40 FKAB O=C(NCc1cccc2ccccc12)/C(=C/c1ccco1)c1ccccc1 222828758 NLRMRXDKIXVCLC-XQNSMLJCSA-N 353.421 5.290 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222998874 OIWVSONLDPEGTO-GOSISDBHSA-N 365.517 5.253 0 40 FKAB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223016305 XZADYFFECLVWBT-PBAKHKOTSA-N 353.893 5.500 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 223297881 GONXIJZAWLXLEB-GOSISDBHSA-N 361.938 5.348 0 40 FKAB C[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccc2c3c(cccc13)CC2 224943447 DPNPVGFDVVMPOB-KRWDZBQOSA-N 365.476 5.909 0 40 FKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 225129741 LAVXJJPOUHGCKQ-UHFFFAOYSA-N 368.502 5.194 0 40 FKAB CC(C)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 225287539 ISHDMCLXMHCBIV-UHFFFAOYSA-N 364.967 5.542 0 40 FKAB O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245377219 IZWQCYGTDFVOLL-HSKKSDQVSA-N 358.696 5.135 0 40 FKAB aggregator CCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 409095208 AAUYSTPPEJHNRU-UHFFFAOYSA-N 373.909 5.098 0 40 FKAB CCOC(=O)c1c(C)oc2ccc(OCc3c(F)cccc3Cl)cc12 639352 IUAQHNMEDTXDIT-UHFFFAOYSA-N 362.784 5.289 0 40 FKAB biogenic O=C(O)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 836617 ZJSNNXVCGBDALG-ATVHPVEESA-N 369.214 5.334 0 40 FKAB CC(=O)c1cccc(Nc2nc(-c3cccc(C)c3)nc3ccccc23)c1 952818 DXKJZTRDTLLWSE-UHFFFAOYSA-N 353.425 5.551 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1Cl 989621 CXRIXHCHADNHFS-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2cccc3cccnc23)c(C)c1 1049889 ANNFCRHSABBCOJ-MRXNPFEDSA-N 350.487 5.279 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1OC 1934625 QZAOVQDLJYAFQO-JXMROGBWSA-N 359.853 5.098 0 40 FKAB Cc1cccc(/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)c1 2315361 WSPSECOHRBTXHM-VZCXRCSSSA-N 352.528 5.986 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2Cl)cs1 2628480 RWAWNHQASLKQSV-UHFFFAOYSA-N 367.861 5.126 0 40 FKAB CCCCCC(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3153142 LJZBHMHSOICHHP-ZDUSSCGKSA-N 372.123 5.145 0 40 FKAB O=C(Nc1ccc(C(F)(F)Cl)cc1-c1ccccc1)c1ccccc1 3262769 WNYXLTIOXYFKMT-UHFFFAOYSA-N 357.787 5.894 0 40 FKAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1cccc2ccccc12 3999004 ZLEUHGLRUVUXFF-SXKZTFQGSA-N 368.480 5.707 0 40 FKAB biogenic Clc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 4532231 DIKKIVQSCNWMBR-NRFANRHFSA-N 367.279 6.349 0 40 FKAB O=C(c1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 4601326 BREGTOHUVBTMMF-GOSISDBHSA-N 366.873 5.393 0 40 FKAB CCC[N+]1=C(/C=C\c2ccc3cccnc3c2O)C(C)(C)c2ccccc21 4822581 ITIQTLRYDVCGAT-UHFFFAOYSA-O 357.477 5.440 0 40 FKAB Cc1cccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 6207122 BNNDXOCYZWOYIP-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Cc1cc(C)c2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 6273356 WLXQFIIQIUXXDJ-UHFFFAOYSA-N 374.893 5.363 0 40 FKAB Cc1cc(Nc2ccccc2)nc(SCCCC(=O)c2ccccc2)n1 6400125 HRKBKCUTUDNIQC-UHFFFAOYSA-N 363.486 5.284 0 40 FKAB Cc1ccc(C(=O)[C@H](Sc2nnc(C3CC3)o2)c2ccc(C)cc2)cc1 9516138 UXQZJONUPQQBNX-LJQANCHMSA-N 364.470 5.280 0 40 FKAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 10111787 KPQLDFGKJLYNET-SFHVURJKSA-N 357.497 6.142 0 40 FKAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H](C(F)(F)F)C1 10287666 AFJZJFZGFJMESK-NSHDSACASA-N 357.759 5.015 0 40 FKAB CSc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 10905710 HGAILOXCBVTNJI-UHFFFAOYSA-N 362.454 5.061 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)C1(c2ccc(Cl)cc2)CC1 12847517 RMCQLVUJDKSHET-UHFFFAOYSA-N 367.832 5.078 0 40 FKAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 13587852 ZTNBSFMIFOLVCM-MCTVSQGJSA-N 359.598 5.531 0 40 FKAB biogenic O=C(c1cc(C2CC2)nc2ccccc12)N1CC=C(c2ccccc2)CC1 14074921 SKVWAOUAELKCPJ-UHFFFAOYSA-N 354.453 5.042 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ccccc1SCc1ccco1 18230710 UHXAWUIWGJVWQM-UHFFFAOYSA-N 353.443 5.141 0 40 FKAB CC(C)CCOc1cccc(NC[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 19738373 KDMREIMRDIAZFL-IBGZPJMESA-N 369.549 6.288 0 40 FKAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 20240011 OXKJJECGPNADNB-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1CCc1ccccc1 20456472 FGZVNLXNESYXQF-DEOSSOPVSA-N 355.481 5.279 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 20492830 BNSUTILZPLOQKY-LJQANCHMSA-N 359.469 5.373 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 20625090 XBJURJGSEZVUDY-INIZCTEOSA-N 368.424 5.152 0 40 FKAB O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 45375236 FBBQAANBEBCACK-UHFFFAOYSA-N 371.461 5.771 0 40 FKAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 49548497 UEYNEIZHGJCNJY-SNVBAGLBSA-N 362.216 5.111 0 40 FKAB C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 59314850 KXTVBZZEPWFEKS-LBPRGKRZSA-N 354.302 5.104 0 40 FKAB CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2ccc(O)cc2)S1 79475946 FXQCYGRLIGDMKF-GOSISDBHSA-N 369.877 5.177 0 40 FKAB Cc1cccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccco3)C2)c1 89669310 MDSCMZBGLBKZIG-LJQANCHMSA-N 361.470 5.136 0 40 FKAB CC(C)Oc1ncccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 96006437 KTSWCEOKWFJWHR-UHFFFAOYSA-N 370.493 5.133 0 40 FKAB Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96037410 UFHILLAQAJADSV-UHFFFAOYSA-N 357.457 5.104 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(Cl)c1)N2 169679164 JSDSWYFAEKEBDJ-QKQOXNHBSA-N 353.849 5.335 0 40 FKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)n1 170564447 RSYQENDGOSHMNO-UHFFFAOYSA-N 360.461 5.213 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1Br 199829346 WCKMFEAVBNAGKB-CYBMUJFWSA-N 360.679 5.175 0 40 FKAB Cc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1Br 216743501 NPIRXSGXNNTHJF-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB Cc1ccc([C@H](NC(=O)CCc2ccccc2F)c2ccccc2)c(C)c1 223256751 QTSRNLREIKMQGU-XMMPIXPASA-N 361.460 5.281 0 40 FKAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223266574 FOKWGXWHOHSRLS-FLVLSHQESA-N 367.489 5.026 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C 223437856 ZCESURGGJROXQC-FQEVSTJZSA-N 364.533 5.089 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885713 NQOGWKFCLMUSEW-HNNXBMFYSA-N 373.758 5.035 0 40 FKAB Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)c(Cl)c1 224996294 VMDCTYZHAJITSV-UHFFFAOYSA-N 372.292 5.104 0 40 FKAB CCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225621036 WXHCWFUUYZJOTE-QHCPKHFHSA-N 369.505 5.416 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225652771 WMTHWYZHMGEMIF-AVRDEDQJSA-N 363.542 5.876 0 40 FKAB CCc1ccc2oc(-c3ccc(N(CC)CC)c(Br)c3)nc2c1 226332152 WLIDIVJJXNTNHI-UHFFFAOYSA-N 373.294 5.666 0 40 FKAB O=C(O)c1cccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1 408606199 HOSYLVVNOLKTDD-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccccc1 408624577 XWPNPRGYSOODLE-UHFFFAOYSA-N 364.404 5.900 0 40 FKAB O=C(NCCSCc1ccccc1)c1cc2c(ccc3ccccc32)o1 408627332 ZGPKSNSVRNFHIU-UHFFFAOYSA-N 361.466 5.249 0 40 FKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 659584 UIDHETPNJWLZOH-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 860947 VOBALCWZSUDOEJ-UHFFFAOYSA-N 360.363 5.432 0 40 FKAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1 892388 RDACGBLQBNSBGB-UHFFFAOYSA-N 352.437 5.140 0 40 FKAB Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1415863 ZIUYJQNASJPLQB-UHFFFAOYSA-N 370.840 5.038 0 40 FKAB CC1(C)c2ccccc2[C@@](C)(C(Cl)(Cl)Cl)c2ccc(Cl)cc21 1654268 KLOARVIYAREIJR-QGZVFWFLSA-N 374.138 6.656 0 40 FKAB CCN(CC)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 1895836 QUBHRGVHQUMLHF-UHFFFAOYSA-N 357.910 6.053 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)C1CCCC1 2351878 WSGWWTADLQODTQ-XMMPIXPASA-N 369.508 5.866 0 40 FKAB Clc1ccc(C2=C[C@H](c3cccs3)n3c(nc4ccccc43)N2)cc1 2914898 NSZXBVYRDTYXKH-GOSISDBHSA-N 363.873 5.807 0 40 FKAB CC(C)c1ccc(SCc2c(-c3ccccc3)nn(C)c2Cl)cc1 3047458 MWZVVBSNYRQWIH-UHFFFAOYSA-N 356.922 6.156 0 40 FKAB FC(F)(F)c1cc(Nc2ncnc3sc4c(c23)CCC4)ccc1Cl 3243091 DPOGJKLXWHWJMZ-UHFFFAOYSA-N 369.799 5.596 0 40 FKAB Cc1cc(C)c(NC(=O)/C=N/OCc2cccc3ccccc23)c(Cl)c1 3312382 JGUTZGWBBOGCQZ-FSJBWODESA-N 366.848 5.251 0 40 FKAB O=C(NCc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3453067 NQIHZJOLEOYILO-UHFFFAOYSA-N 367.901 5.562 0 40 FKAB Fc1ccc(Nc2nc(C(F)(F)F)c(-c3cccc(Cl)c3)s2)cc1 4189291 MWOWWYXRODGHRJ-UHFFFAOYSA-N 372.774 6.365 0 40 FKAB Cc1cc(C)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(C)c1 4361248 VAJNDEPIEXFDML-CVDCTZTESA-N 374.509 5.916 0 40 FKAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 4723586 PRWBVRKSHVJOGO-UHFFFAOYSA-N 364.367 5.086 0 40 FKAB CCc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)cc1 5043121 DANCBXARZHQRSL-UHFFFAOYSA-N 354.862 5.718 0 40 FKAB O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(Cl)c(Cl)c1 5552760 NBTDWMVZQGQZQD-NQDFZQDQSA-N 366.225 5.384 0 40 FKAB CCCCN(CCCC)C(=O)CCCC(=O)N(CCCC)CCCC 6042592 HOJQUBUTJHKLKW-UHFFFAOYSA-N 354.579 5.014 0 40 FKAB C[C@H](NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1)c1ccc(F)cc1 6588311 NMIAWNRRNJLHKN-QWHCGFSZSA-N 374.506 5.059 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1c(Cl)cccc1Cl 7094217 XZZFLYXAPWYMNN-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 7614642 VCVFAIJKLSIJOS-UHFFFAOYSA-N 366.486 5.007 0 40 FKAB S=c1sc(SCc2ccccn2)nn1-c1ccc(Cl)cc1 12543068 YFNSLWJDUZWLJV-UHFFFAOYSA-N 351.909 5.004 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13649175 QMWFDJJCQMNJMF-IAGOWNOFSA-N 355.547 5.651 0 40 FKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCC(C)C)ncnc32)c1 16757685 BNDDTPHVFZGFMP-UHFFFAOYSA-N 373.525 6.144 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1c(CC)nc2ccccc21 17364111 JDKIWDQGGDLSLF-UHFFFAOYSA-N 369.896 5.016 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 19934656 XJTDONMGNZPMIC-UHFFFAOYSA-N 350.506 5.042 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 20454164 HZGPHJJVYJUVPD-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB Cc1cc(-c2ccc(CNCc3ccccc3)o2)ccc1Br 20875727 RFNBOJVIYMPQGC-UHFFFAOYSA-N 356.263 5.307 0 40 FKAB C[C@H](c1cccs1)N(C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 23078129 KKAXHKXLDHHCHK-LLVKDONJSA-N 367.396 5.010 0 40 FKAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cc(Cl)sc1Cl 29354728 YVCLCSJHLJSYIH-UHFFFAOYSA-N 373.261 5.570 0 40 FKAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 33409221 YXOHMXPLVZFFOM-ZZXKWVIFSA-N 357.620 5.324 0 40 FKAB CCc1ccc(NC2=NC(=O)/C(=C\c3c(F)cccc3Cl)S2)cc1 35648185 KCNIDUFGMPQULK-MHWRWJLKSA-N 360.841 5.124 0 40 FKAB CN(C/C=C\c1ccccc1)CCOC(c1ccccc1)c1ccccc1 40163421 QTKQVDXGCWKEHE-KAMYIIQDSA-N 357.497 5.438 0 40 FKAB O=C(O)/C=C/c1cc(Br)c(-c2cc(Cl)cc(Cl)c2)o1 40545641 WMZXPJOGCCVHNL-OWOJBTEDSA-N 362.006 5.114 0 40 FKAB COCc1nc(Oc2ccc(C)nc2)c2c(-c3ccccc3)csc2n1 95957746 IHGYUYGRRCLIGP-UHFFFAOYSA-N 363.442 5.000 0 40 FKAB CCCN(CCC)CC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100491675 SCLSMFVVQCGLGK-SKGAXEKPSA-N 367.577 5.524 0 40 FKAB Cc1cc2occ(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C 108914205 PSGPBLAJFRQSBM-BOSXTWCSSA-N 353.506 5.348 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)CCc1ccccc1 222926091 JQBVYGRTKOBIOF-GCJKJVERSA-N 367.533 5.279 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(F)(F)F 222950003 RQMZHADAJKXZTB-INIZCTEOSA-N 351.368 5.118 0 40 FKAB Cc1cccc([C@@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)c1 223312806 GRRQUDYHVMYHLC-VWLOTQADSA-N 357.497 5.450 0 40 FKAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCCCC2)ccc1Cl 223990925 QLUAJQWXBDEEIW-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225258916 LDYCCZBXEKYVRO-UHFFFAOYSA-N 369.468 5.825 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(NC(C)=O)cc1 252672574 QFUUJYQGUWNUIK-UHFFFAOYSA-N 371.893 5.081 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccccc1F 409113241 ACNRFHMQFLARKY-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB Cc1cc(C)n([C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)n1 858224 MRYIEECJHRGVFZ-XMMPIXPASA-N 368.480 5.025 0 40 FKAB Cc1ccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)cc1 992787 NANGQRLNYWCURM-UHFFFAOYSA-N 363.800 5.241 0 40 FKAB CC1=CC(C)(C)N(C(=O)Nc2ccc(Br)cc2)c2ccccc21 2231180 QFBJQTHHJWTCQL-UHFFFAOYSA-N 371.278 5.683 0 40 FKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C)c1 2444811 JJMPIEXGCJSJTD-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB CCOc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1 3018700 LHHYWIUMQBRCGG-UHFFFAOYSA-N 372.512 5.728 0 40 FKAB CCN(CC)P(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3122360 LOSWALNXEOTNMF-UHFFFAOYSA-N 355.844 5.262 0 40 FKAB Cc1cccc(CSCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 3363681 PAYPXJOCNAFFSB-UHFFFAOYSA-N 373.827 5.539 0 40 FKAB CC(C)CN[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 4200593 NIUIUSQEYIIYEC-PLLBJWBMSA-N 351.471 5.228 0 40 FKAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1cn(C)c2ccccc12 4747634 RVMCBERPEPPCCZ-MZNJEOGPSA-N 370.496 5.693 0 40 FKAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c1 5101028 PHDSSHMCFGBCRJ-WYMLVPIESA-N 366.464 5.481 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3Cl)N=C(O)CCN21 5370038 LPRGDVISWUXNLB-YUAYGMJFSA-N 366.892 5.516 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccccc2C(=O)Nc2cc(C)cc(C)c2)c1 6255524 AACODKYOBPCFAX-UHFFFAOYSA-N 372.468 5.425 0 40 FKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 6657268 MUARDLPVWWRGME-CPNJWEJPSA-N 367.470 5.020 0 40 FKAB CCCc1cc(-c2nc(-c3cccc(Br)c3)cs2)ccn1 6669985 GGNODWXLAROZOW-UHFFFAOYSA-N 359.292 5.587 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 6938411 JNUFVSWOAYOFOT-GOSISDBHSA-N 366.505 5.208 0 40 FKAB Cc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1Cl 6966773 GORTYORAYYEGQU-FSJBWODESA-N 366.848 5.505 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1ccccc1C(F)(F)F 6968434 QOGITKJAHXEOEL-UHFFFAOYSA-N 354.378 5.143 0 40 FKAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 7734581 JDERYRFNXWZEQD-NSHDSACASA-N 371.786 5.403 0 40 FKAB C[C@]12C=CC[C@H]1[C@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@H]1CC2 8615874 KHAIFVOAJPIDQL-KNAFXUBQSA-N 358.481 5.928 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3cc(C)n(C4CC4)c3C)c2)cs1 9514095 GYSJEWPTMUDCAA-UHFFFAOYSA-N 351.475 5.124 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1 11639814 XXRVQWMTKYMHSC-UHFFFAOYSA-N 373.456 5.258 0 40 FKAB Cc1nc(N(C)Cc2ccc(Cl)cc2)c2c3c(sc2n1)CCCCC3 13041983 JUFUFSZNUZBBSR-UHFFFAOYSA-N 371.937 5.558 0 40 FKAB Cc1c(-c2ccc(OC(F)F)cc2)nc2ccccc2c1-c1ccccc1 13129746 PCVCTVRZGDKDEL-UHFFFAOYSA-N 361.391 6.479 0 40 FKAB Cc1c([C@H]2c3ccccc3C(=O)N2CCc2ccccc2)[nH]c2ccccc12 13955671 TYTKLJHSUUWJLN-XMMPIXPASA-N 366.464 5.264 0 40 FKAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 25062248 RENQDXGIGDECOO-SDNWHVSQSA-N 364.489 5.544 0 40 FKAB CCc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1 33298148 JLXOQUJWZHTTNX-UHFFFAOYSA-N 365.433 5.152 0 40 FKAB CCOc1cccc(/C=C(\Cl)c2nc(O)c3cc(Cl)ccc3n2)c1 44026212 DSOYUDNEJRMFJH-DHDCSXOGSA-N 361.228 5.124 0 40 FKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(F)cc2)cc1 44087005 VQTDUASFFUZBTL-UHFFFAOYSA-N 356.466 5.435 0 40 FKAB CCOc1ccc(CCC(=O)Nc2cccc3ccccc23)cc1OCC 44846305 YRYQZCXFYCOYTJ-UHFFFAOYSA-N 363.457 5.209 0 40 FKAB COc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)cc1 51330298 ZMAHGGCNXAJAPQ-QFIPXVFZSA-N 362.860 5.704 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 78458883 OULXLMOUFRGQTK-RBUKOAKNSA-N 353.506 5.380 0 40 FKAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@@H]1C[C@@H]1c1cccc(F)c1 84560024 YEVULEXMNNXVQI-IEBWSBKVSA-N 367.370 5.513 0 40 FKAB O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1ccsc1 96759309 PEWTVFFYPAVBIV-GDNBJRDFSA-N 362.479 5.131 0 40 FKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(NC(=O)Nc2ccccc2)c1 104817693 XMNUNOHLFOCROI-YESZJQIVSA-N 363.461 5.095 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCCc2ccccc21 222722249 SCSILEKSKZBVIZ-UHFFFAOYSA-N 366.313 5.206 0 40 FKAB COc1cc(C)c(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C(C)C 223506045 JOWJBTZJZOHXDU-GOSISDBHSA-N 353.506 5.543 0 40 FKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224448669 YWYMODBJKVWBAS-LJQANCHMSA-N 363.388 5.521 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225510771 FYWFWFYIROFOCL-UHFFFAOYSA-N 365.517 5.933 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225640960 AWZOUZVHDPPCMP-PMACEKPBSA-N 367.489 5.043 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 225672725 HFEBMOPZCMYOJB-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB Cc1sc(=Nc2ccccc2F)[nH]c1-c1ccc(Br)cc1 409047216 NVAHKXYAYUUNKW-UHFFFAOYSA-N 363.255 5.186 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cccc(C(F)(F)F)c3)sc2C)cc1C 409054361 FQQJZKYLPWNCRF-UHFFFAOYSA-N 362.420 5.920 0 40 FKAB Cc1ccc(NCn2nc(-c3ccc(C(C)(C)C)cc3)oc2=S)cc1 712741 CUGPQKQCZLMHRY-UHFFFAOYSA-N 353.491 5.548 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3F)c2c1 859792 XMAUEDXINSKFPP-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB CCc1cccc(C)c1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 1256359 OPLVRUHHWALGGZ-CMDGGOBGSA-N 364.272 5.525 0 40 FKAB CCCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 2223452 DWVMOJURLVESRV-UHFFFAOYSA-N 368.550 5.673 0 40 FKAB c1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2cccs2)cc1 2269164 SWKKGIFBQQMEEY-UHFFFAOYSA-N 352.462 6.625 0 40 FKAB CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccccc1 2319321 ULJLJRDUACYJPN-JOCHJYFZSA-N 361.485 5.435 0 40 FKAB O=C(c1ccccc1)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 2512664 MEGLWQFOYOQKCD-UHFFFAOYSA-N 369.464 5.368 0 40 FKAB Cc1ccc(C(C)(C)C)cc1S[C@H](C)C(=O)N1CCc2ccccc2C1 2625192 GEPASDCOQYOAHQ-QGZVFWFLSA-N 367.558 5.358 0 40 FKAB O=c1cc(-c2ccco2)oc2ccc(OCc3cccc4ccccc34)cc12 2888845 MCLCAJJYYFKCFO-UHFFFAOYSA-N 368.388 5.785 0 40 FKAB O[C@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 3134901 JCLSJRCBDDXZLQ-GFCCVEGCSA-N 356.558 5.142 0 40 FKAB O=C(CCCSc1nnc(NC2CCCCC2)s1)c1ccccc1 3314835 UQIRIIAYBJNFTP-UHFFFAOYSA-N 361.536 5.038 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1 3334233 DYNHDPKCESODFA-UHFFFAOYSA-N 351.377 5.269 0 40 FKAB c1ccc(Oc2ccc(Nc3ncnc4sc5c(c34)CCC5)cc2)cc1 3334308 WYGYVTTVPXEMOT-UHFFFAOYSA-N 359.454 5.716 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)NC2CCCCC2)C1(C)C 3765648 RDHFSJCOCFEYPV-WIYYLYMNSA-N 367.537 5.238 0 40 FKAB CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 3912412 QEYNXJAXTCIIOF-UHFFFAOYSA-N 356.473 5.324 0 40 FKAB COc1cc(OC)c2nc(C)c3c(c2c1)N(c1ccc(C(C)C)cc1)CC3 4050988 UWEQHRXZDVDZJW-UHFFFAOYSA-N 362.473 5.378 0 40 FKAB Cc1ccc(-c2nsc(SCC(=O)c3ccc(Cl)cc3)n2)cc1 4167390 UVWFFHNIPGXYCO-UHFFFAOYSA-N 360.891 5.142 0 40 FKAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccc(Cl)s2)cc1 4242313 BEZRCZQARRNKFS-UHFFFAOYSA-N 371.845 5.011 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1C 4718045 OREFOZKZAKNJMI-UHFFFAOYSA-N 363.501 5.925 0 40 FKAB CCC[N+]1=C(/C=C\c2cc(C)c3cccnc3c2O)C(C)(C)c2ccccc21 4824032 LBCZMMPJNNAQMI-UHFFFAOYSA-O 371.504 5.748 0 40 FKAB CSc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 5261906 KTZYGJJRQOEGNO-GORDUTHDSA-N 362.281 6.140 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)Nc3cc(C)on3)c2c1 6401223 AOIRASDJRWTMNJ-UHFFFAOYSA-N 371.440 5.376 0 40 FKAB Clc1ccc(CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 8023415 PVPRGESIVHUNAJ-UHFFFAOYSA-N 356.922 6.106 0 40 FKAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 10111788 KPQLDFGKJLYNET-GOSISDBHSA-N 357.497 6.142 0 40 FKAB O=C(CSCc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 20238105 DYIPHJHRNSTNMB-UHFFFAOYSA-N 373.949 5.055 0 40 FKAB CC1(C)CC(Nc2ncnc3scc(-c4ccccc4)c23)CC(C)(C)N1 20321724 BPXDDWJTZSDUHK-UHFFFAOYSA-N 366.534 5.079 0 40 FKAB Fc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(F)cc23)cc1 21017423 JMEZOEUEWJCKPD-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NC4CC4)ncnc32)cc1 21797915 SAUAEJLEHCUMCM-UHFFFAOYSA-N 360.848 5.315 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(Cl)cc2)cc1 27664016 JKMYFZMWPQXGFO-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccccc2SCc2cscn2)c1 32901999 FWLBOLPGEFHJRI-UHFFFAOYSA-N 354.500 5.305 0 40 FKAB Cc1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 64471430 SFVQUFIBWLKTDJ-UHFFFAOYSA-N 358.466 5.767 0 40 FKAB CCCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462076 JIORIBCKCDUPDS-UHFFFAOYSA-N 372.852 5.681 0 40 FKAB Cc1ccc(Br)cc1Nc1nc2ccc(Cl)cc2s1 89065165 KLPKZABWAKVDMI-UHFFFAOYSA-N 353.672 5.764 0 40 FKAB Cc1noc2c1[C@H](c1ccsc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102748358 PBFLEUXQVBIMIB-BEFAXECRSA-N 362.454 5.652 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 216468536 UHSQTTDCKVPIML-NSHDSACASA-N 371.786 5.327 0 40 FKAB Cc1cccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)c1 222691179 IWOYRWGDLWMJRR-UHFFFAOYSA-N 361.938 5.270 0 40 FKAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222907429 YBCDOMFXKUXBMR-IBGZPJMESA-N 355.478 5.179 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccc(C)cc2Cl)c2ccccc2O1 225007778 CXIZPMCTYLRXKD-SFHVURJKSA-N 357.881 5.461 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)c1 225842854 SSMDZKMHMGCCLQ-UHFFFAOYSA-N 366.574 5.844 0 40 FKAB CCCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(F)cc1 408564631 ZZPARDSBLCXGDP-VZCXRCSSSA-N 374.506 5.131 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 408628791 AIOJSQUIWRWXME-GOSISDBHSA-N 366.505 5.353 0 40 FKAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)CCCCC3 691566 FIWBYCYALZJTQP-UHFFFAOYSA-N 371.893 5.053 0 40 FKAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccccc1F 944833 YOBSAXXFWFUVKZ-JOCHJYFZSA-N 357.384 5.320 0 40 FKAB CSCc1cc(N(C)C)nc(SCc2ccc(Cl)cc2Cl)n1 1387643 MUVOHRFDONQGTG-UHFFFAOYSA-N 374.362 5.005 0 40 FKAB COc1ccc(C(=O)NCC(C)(C)SCc2c(C)cc(C)cc2C)cc1 1392496 MZKUXKSKMRVVSK-UHFFFAOYSA-N 371.546 5.062 0 40 FKAB CC(C)Oc1ccc([C@H](CCN[C@H](C)c2ccccc2)c2ccccc2)cc1 1831454 MQORINLVPMKXGS-QFQXNSOFSA-N 373.540 6.347 0 40 FKAB biogenic Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccccc4)c12)CCC3 2119247 SIEWZXPJKJNKRH-UHFFFAOYSA-N 370.477 5.265 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)c(F)c2)cc1 2215466 CBRFHGWUKFVRPE-UHFFFAOYSA-N 368.415 5.392 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2736691 WOGRDKBZFQNLQS-JOCHJYFZSA-N 361.510 6.282 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1F 3421146 DKJVFAPRPJVUHJ-UHFFFAOYSA-N 355.359 5.265 0 40 FKAB S=c1[nH]cc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl 3441747 OXLQRRPJQZGLMJ-UHFFFAOYSA-N 355.677 6.162 0 40 FKAB CCCCCCN(CCCCCC)CCCCCCCCCCCO 4353039 WFAJRMRCJZNFDX-UHFFFAOYSA-N 355.651 6.952 0 40 FKAB O=C(Nc1cccc2ccccc12)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4524965 UFQISGODMCVDRI-JWJAOHTJSA-N 374.311 5.634 0 40 FKAB C[C@@H](Cc1ccccc1)NCCCCCCCN[C@H](C)Cc1ccccc1 4697264 LOLIBHMZYDZYHF-ZRZAMGCNSA-N 366.593 5.379 0 40 FKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 5772097 BZKMYSJMKQUGIP-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB FC(F)(F)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 6045666 QQEPGNQJEVLBEX-UHFFFAOYSA-N 363.408 5.367 0 40 FKAB Cc1cccc(Oc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)c1 6261155 DWIKUQPMMXXRCI-UHFFFAOYSA-N 370.452 5.840 0 40 FKAB CCOc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccccc1 8254060 WQANVPFSUVYPML-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCCC2)cc1 10328665 RDVJUHRFPCMDCE-UHFFFAOYSA-N 356.469 5.202 0 40 FKAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1C 10443529 WJYHGTLBYGUWLS-UHFFFAOYSA-N 367.489 5.041 0 40 FKAB C[C@@H]1Oc2c(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cccc2[C@@H]1C 12568462 DTXIBQQLTJRPHS-MCIONIFRSA-N 366.486 5.014 0 40 FKAB Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1F 12579886 IZGWGYHGOJLFQI-YLJYHZDGSA-N 368.408 5.269 0 40 FKAB Cc1nc(-c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)cs1 14016519 JRVLLZDAFQZCKQ-UHFFFAOYSA-N 357.866 5.094 0 40 FKAB Cc1cc(C(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)n1C1CC1 15187258 SYKXRLJMCWIHJK-UHFFFAOYSA-N 372.679 5.662 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 15963665 ZRIBVUDRIOAXFY-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB Oc1ccccc1-c1nc(Nc2cccc3ccccc23)c2ccccc2n1 17195303 NIBQFDYASDVPDJ-UHFFFAOYSA-N 363.420 5.899 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(Cl)c1 20046769 IMSGKNIMRNROPT-SFHVURJKSA-N 369.848 5.298 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 20105104 DTRSFYDGWCQNLS-OALUTQOASA-N 361.938 5.787 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1Cl 21017240 CZSZYCDKDSBNJY-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 22515658 IVAHHSZKXRAOMW-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 22531372 YBOBKBUJHRJEOK-IAGOWNOFSA-N 353.506 5.191 0 40 FKAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc3ccccc3c2)c(C)c1 40157335 HENCQGHEXCXIDG-IBGZPJMESA-N 360.501 5.397 0 40 FKAB Clc1ccc2cccnc2c1CSc1nnc(-c2cccs2)o1 42151849 OVWQWZVIBBLTEQ-UHFFFAOYSA-N 359.863 5.292 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccccc2)cc1 44947383 ZFTXWYIBOHAURX-OXJNMPFZSA-N 357.519 5.079 0 40 FKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2)cc1 57524704 HTJOKUCLHWEIAH-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(-c3ccccc3)cc2)c1 58159921 HXHQJZNAXBUNDE-INIZCTEOSA-N 373.456 5.195 0 40 FKAB O=C(/C=C/c1ccsc1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 58356520 LUPUYMMIUBZJDO-QYDWLILUSA-N 359.903 5.382 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 59351516 LSGWCECASXSEAU-IRXDYDNUSA-N 359.897 5.218 0 40 FKAB O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(F)cc1 67192383 LDKSICMOHMVUCJ-UHFFFAOYSA-N 374.242 5.652 0 40 FKAB CCCCCC(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 70462026 CTDITENKMBEWOI-UHFFFAOYSA-N 366.461 5.843 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(F)c2C)c(Br)c1 71326037 SYBBDLQLUZTEHZ-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 72215120 DVFGELBPMWYQMT-WMZOPIPTSA-N 361.530 5.169 0 40 FKAB CCOc1ccc([C@@H](C)N(C)Cc2c(C(C)C)[nH]c3ncccc23)cc1 72393371 ZHSROVMTPARQBT-MRXNPFEDSA-N 351.494 5.278 0 40 FKAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 101220594 YQZRUXTVMXMGLO-RBBKRZOGSA-N 373.431 5.330 0 40 FKAB COc1ccc(C(OC[C@@H]2C[C@H]3C=C[C@H]2C3)OC[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 104189088 IETYYIJLWUYSNN-PXDGKFHDSA-N 366.501 5.151 0 40 FKAB COc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1Cl 223131482 ADIQKHBHSIUQIC-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224897916 SLILPTAURMGXNJ-AWEZNQCLSA-N 360.910 5.060 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)Cc1ccccc1 224901745 JZZFPXZDJDGHPY-JOCHJYFZSA-N 361.485 5.135 0 40 FKAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1C 224978623 GKULAHGNKVQYIF-UHFFFAOYSA-N 373.452 5.020 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 225488675 CFHVTKGMJOORIA-MRXNPFEDSA-N 368.424 5.152 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl 225533152 GSVOPSWIWGJFNL-UHFFFAOYSA-N 373.880 5.198 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C 225660875 WXSNVWIQDRKYPV-UHFFFAOYSA-N 352.261 5.686 0 40 FKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 225679338 OLNCZGAHIMYFMM-UHFFFAOYSA-N 359.469 5.607 0 40 FKAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@@H](C)C1 225833803 VNDFLKZFVOKEKA-UZUQRXQVSA-N 369.505 5.551 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408618875 HMMGUWYLGRMLBW-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB O=C(Nc1cccc(Br)c1)[C@H](c1ccccc1)C1CCCC1 633209 MOODUHUPAQFHIX-GOSISDBHSA-N 358.279 5.362 0 40 FKAB CCCC[C@@H](CC)C(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccccn1 1675622 UGVNESXSYFEYCH-YKSBVNFPSA-N 366.549 5.105 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 3051009 VOHJXZPOTHAOLJ-UHFFFAOYSA-N 364.308 5.585 0 40 FKAB O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 3085277 NLAXJRDYGYIUKL-UHFFFAOYSA-N 373.235 5.792 0 40 FKAB CCn1cc(SCC(=O)Nc2cccc3ccccc23)c2ccccc21 4060544 KWHVTHJOYVAXDN-UHFFFAOYSA-N 360.482 5.545 0 40 FKAB OC1=N[C@@H](c2cccc3ccccc23)Nc2scc(-c3ccccc3)c21 4571816 AWMJPWHUJSTVCJ-HXUWFJFHSA-N 356.450 5.997 0 40 FKAB Clc1cc(-c2ccnc(SCc3ccccc3)n2)c(Cl)s1 5683383 UTKKMVRTPRBONH-UHFFFAOYSA-N 353.299 5.804 0 40 FKAB CCc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 6124606 ANLMOLWUJAIDOG-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB CCc1cccc(C)c1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 6152525 MIGVSCDGOXCKMR-UHFFFAOYSA-N 372.827 5.566 0 40 FKAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2C)cc1 6185050 XZEPMVISTPAZTP-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CC(C)C(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 6306651 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365.498 5.007 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(Cl)c1 44883511 MZBIHUYYUQFXMF-HXUWFJFHSA-N 353.849 5.598 0 40 FKAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc4ccccc34)o2)cc1 63887875 MAOUTCNLWZOXHF-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB Cc1ccc(/C=C2/CCCc3c2nc2ncnn2c3-c2ccc(C)cc2)cc1 96401720 DVQNEWZGABVKSH-ZHZULCJRSA-N 366.468 5.285 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222996997 KPANCGMACMETNK-WZONZLPQSA-N 365.517 5.217 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)ccc2C)cc1C(C)C 223329510 AGUREGYRUQAWSC-SFHVURJKSA-N 369.505 5.000 0 40 FKAB CCCCNC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224177664 HSWRENBMZZITMU-UHFFFAOYSA-N 369.505 5.102 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c2ccccc12 225849007 XNSWFLWZRXNWDW-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 226093006 GRGMRDBPMQNNFS-UHFFFAOYSA-N 374.322 5.870 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226254477 FUPAFJFQIHPONJ-INIZCTEOSA-N 351.494 5.023 0 40 FKAB 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371.074 5.678 0 40 FKAB CCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccc(Cl)cc2)cs1 932760 ATBDORHWWCTYII-UHFFFAOYSA-N 372.877 5.139 0 40 FKAB O=C(c1ccccc1Cl)[C@H](Nc1ccccc1)c1ccccc1Cl 1671901 ZNLDXUATLQISIG-LJQANCHMSA-N 356.252 6.030 0 40 FKAB CC(C)(C)[C@H]1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1 2235274 HEAXMNAVFLIRER-HNNXBMFYSA-N 364.514 5.261 0 40 FKAB Cc1ccc2c(CSCc3cccc4ccccc34)cc(=O)oc2c1C 2651796 GMCZLAVUWFIPLP-UHFFFAOYSA-N 360.478 5.996 0 40 FKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1 3417305 MWAUBJIANKHGRX-NSHDSACASA-N 368.285 5.315 0 40 FKAB CCCc1ccc(-c2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2)cc1 3584842 LAMLOTMVJSCPQL-UHFFFAOYSA-N 354.453 6.332 0 40 FKAB Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Cl 6478107 IDGHBGYIKDXILK-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(Cl)c1 8050583 HAOZUFAMQSJWPB-ZDUSSCGKSA-N 374.868 5.178 0 40 FKAB CCc1ccc2oc(C(=O)Nc3nc(-c4cccs4)ns3)c(C)c2c1 11914370 AHTMAIAJLIOGOI-UHFFFAOYSA-N 369.471 5.136 0 40 FKAB Clc1ccc(CSc2nnc(COc3ccccc3)o2)c(Cl)c1 12249453 CHQNSBXHNKIFPQ-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CSc1ccc(Cl)cc1 13102826 JRVSKKRFVDWIOX-UHFFFAOYSA-N 361.938 5.388 0 40 FKAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2ccc(F)cc2)o1 14198735 PCLCRDUFPISHHI-MRXNPFEDSA-N 371.408 5.192 0 40 FKAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 14227663 XTZVKVXXXQKIMI-UHFFFAOYSA-N 365.498 5.202 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\Cc1c(O)oc2ccccc2c1=O 17220075 PRSOPHSUKXJKIM-ILUNCUQESA-N 366.501 6.460 0 40 FKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(F)ccc1Br 30315777 LMQJGLZICAPFNK-JTQLQIEISA-N 370.649 5.075 0 40 FKAB CCN(CC)Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 31538585 UJUYJZCVJDTUSS-UHFFFAOYSA-N 366.436 5.180 0 40 FKAB OC1=NC(=S)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 34744978 JXYYKTJHOJYQBD-MFOYZWKCSA-N 368.458 5.158 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2cc(C)ccn12 35606581 RODISHZGZNOBRR-UHFFFAOYSA-N 357.457 5.630 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C 44856406 JVZCZPRUTWNVHW-FQEVSTJZSA-N 364.533 5.026 0 40 FKAB CCCC1CCC(CCC2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 59073135 PGBOJQDLNPQVCK-UHFFFAOYSA-N 366.511 7.764 0 40 FKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(Cl)cccc1Cl 59497651 RUIVEUNRJZRVQT-UHFFFAOYSA-N 357.240 5.232 0 40 FKAB CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215463 TUIWVBDCQBWSPC-IBGZPJMESA-N 373.541 5.311 0 40 FKAB O=C(Nc1ccc(SCc2cccnc2)cc1)C1=C(Cl)CCCC1 84425112 FSGLGICMKGYONF-UHFFFAOYSA-N 358.894 5.379 0 40 FKAB CC[C@@H](C)N1C(=O)CC[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 85430315 JMUTXESOAZLSHB-QRWLVFNGSA-N 362.473 5.306 0 40 FKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 100922892 HPZOHGFNBBOZSE-GJVDQKBNSA-N 371.571 5.386 0 40 FKAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1cccc2ccccc12 225091800 XJOCKQBCUHFFTN-GOSISDBHSA-N 361.224 5.221 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c(C)c1 225261117 LZCIBQDWKIAMKJ-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB S=C(NCCSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 225301828 PKXLSWCICMGLGN-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1Cl 225838837 GAQAKCAULPTBBH-UHFFFAOYSA-N 359.853 5.312 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(F)cc3)CCCC2)c1 225851715 POCRGDOZKPKZAO-UHFFFAOYSA-N 356.510 5.366 0 40 FKAB CC[C@]12CCC3=C(C1=CC[C@H]2OC(C)=O)[C@@H](C)Cc1cc(OC)ccc13 229780175 GIYSITPKERYJBK-RUGFAHKUSA-N 352.474 5.093 0 40 FKAB CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408993970 DXXONJSEWHPLIJ-PHKVSCMRSA-N 363.457 5.080 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 409026758 XDKWBPOUSBWLLF-ZDUSSCGKSA-N 357.972 5.003 0 40 FKAB c1ccc2c(CSc3nnnn3-c3cccc4ccccc34)cccc2c1 643549 LMDPXYMHMLJBOO-UHFFFAOYSA-N 368.465 5.261 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 862369 DHFRFJOOTKUECD-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB CC(C)CN(CC(C)C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 997806 LZLWMZPQFJRGGQ-OAQYLSRUSA-N 355.547 5.661 0 40 FKAB C[C@@H]1CCC[C@H](C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)C1=O 1709024 BDKKAZPMAWNHHE-CRAIPNDOSA-N 356.469 5.786 0 40 FKAB Cc1cc(Cc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1712789 LRFZJMZWLQOTMW-UHFFFAOYSA-N 371.263 6.112 0 40 FKAB O=C(Nc1cc(F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 2512591 XPDUYBAUFZCYAM-UHFFFAOYSA-N 351.343 5.295 0 40 FKAB Cc1cccc(C)c1NC(=O)CCCSc1cc(C)c2ccccc2n1 2619676 LJDQALIZNFLNQN-UHFFFAOYSA-N 364.514 5.671 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2oc3ccccc3c2c1 3305995 NVJBEVSUODWDLH-UHFFFAOYSA-N 370.330 6.249 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)OCc1ccccc1 3306507 MUHCPRFXPOSTED-UHFFFAOYSA-N 366.398 5.412 0 40 FKAB O=C(c1cccs1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 4318358 MBIDDUUZOZSLPT-KPFFTGBYSA-N 359.922 5.503 0 40 FKAB Clc1ccc(-c2cs/c(=N\c3ccccn3)n2-c2ccccc2)cc1 4565160 KHDMVZUXJWVVHM-ATJXCDBQSA-N 363.873 5.487 0 40 FKAB Cc1ccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)n2C)cc1C 4678920 QFKQPTSGOJZRAA-UHFFFAOYSA-N 360.288 5.623 0 40 FKAB CCCCC(=O)N(CC(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880855 AFJHMXBBBZSKOB-UHFFFAOYSA-N 373.566 5.682 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(Cl)cc12 5234066 XEEZRXCULASWNV-UHFFFAOYSA-N 367.763 5.653 0 40 FKAB Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 5359920 LUDCWFXTZZSBPR-UHFFFAOYSA-N 361.923 5.211 0 40 FKAB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cccc2ccccc12 6496578 PNIIHWMQKVZEQB-SAPNQHFASA-N 365.388 5.862 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 6889879 QTTGFQJGFACTFF-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1ccccc1 7265345 HREQXKUHGHBABN-UHFFFAOYSA-N 355.359 5.554 0 40 FKAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1F 7596243 WDZWHZIULVLQQO-UHFFFAOYSA-N 362.429 5.279 0 40 FKAB CCC(C)(C)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 8684892 DNZUJFYJFARAQY-UHFFFAOYSA-N 369.559 5.747 0 40 FKAB aggregator Cc1csc2nc(-c3cccc(NC(=O)CC4CCCCC4)c3)cn12 9518920 ZFBGWQNVRMVUQN-UHFFFAOYSA-N 353.491 5.280 0 40 FKAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 12619471 KHKIOKPWPFEHJG-UHFFFAOYSA-N 368.864 5.492 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 14426551 SOOSTTJZMRLIML-UHFFFAOYSA-N 364.297 6.386 0 40 FKAB CC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 27794673 LPDDXQJVRHHSID-UHFFFAOYSA-N 363.269 5.742 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 32693359 POEBTYPABFLNSN-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(Br)s1 32753912 FBBWCMNPCTWBDG-JTQLQIEISA-N 364.264 5.090 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 57344070 UHQMLFOGLDOTQN-UHFFFAOYSA-N 365.860 5.388 0 40 FKAB COc1ccc2cc(-c3cccc(C(F)(F)F)c3)c(N3CCCC3)nc2c1 63120242 JMBZXYMDUAIJMJ-UHFFFAOYSA-N 372.390 5.529 0 40 FKAB Cc1ccc(CN(C(=O)Nc2ccccn2)[C@H]2CCc3ccccc32)cc1 63813405 QTUBCKBHOXLWNV-NRFANRHFSA-N 357.457 5.112 0 40 FKAB COc1ccc(C)cc1[C@H]1CC(=O)[C@@]2(C=C1C)C(C)=N[C@@]1(C)CCCC[C@H]12 85408700 ZGEKFEQZCLSBIE-ZKZIVCHGSA-N 365.517 5.416 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCc2ccccc2F)c2ccccc2)c(C)c1 223256697 QTSRNLREIKMQGU-DEOSSOPVSA-N 361.460 5.281 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(Cl)cc1 224458177 ADWYVUOSJDWJII-OAQYLSRUSA-N 367.876 5.010 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224939877 ZEEMNUHAWCACDJ-OAHLLOKOSA-N 374.937 5.450 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 225627208 RICIFWLZWFKELC-UHFFFAOYSA-N 373.521 6.110 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 225660583 FOLNDFIAAUHBHY-KUHUBIRLSA-N 361.938 5.651 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225705335 WRUMBBJZQBYGMM-QFIPXVFZSA-N 363.542 5.652 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225828079 YVWDSOXPTOOTLT-HSZRJFAPSA-N 371.521 5.941 0 40 FKAB S=C(NCc1ccccc1)c1ccccc1OCc1ccccc1Cl 408575988 PDLKVZHGPHYKSS-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(OC)c(OCC)c2)cc1 408600792 GEJYGMMDSCTDIM-RVDMUPIBSA-N 353.462 5.088 0 40 FKAB Clc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Br)c1)N2 409189686 NCTWBFIQMVEQES-XOKHGSTOSA-N 364.670 5.347 0 40 FKAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1C 633041 XCYDOBPTMHLULB-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1 831965 OIRYUXZFNOGPNW-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc2ccccc12 953658 GMFABGPGXHWVLP-UHFFFAOYSA-N 372.424 5.317 0 40 FKAB Cc1nc(CSc2ccccc2)cc(OCc2ccc(Cl)cc2)n1 1388886 ZMABXHFUHJQHKQ-UHFFFAOYSA-N 356.878 5.310 0 40 FKAB Clc1ccc2c(c1)nc(-c1ccc(Cl)nc1)n2Cc1ccccc1 1405234 IPEUNQMGPWPUKB-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB CCCC[C@H](CC)C(=O)[C@](CCN(C)C)(c1ccccc1)c1ccccn1 1675625 UGVNESXSYFEYCH-GBXCKJPGSA-N 366.549 5.105 0 40 FKAB CCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(Cl)cc1)CCC3 1806907 RYTLRJCUXKURBF-UHFFFAOYSA-N 368.860 5.467 0 40 FKAB Cc1cccc(C(C)C)c1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 2120494 VEFFKOAPMLHBQU-UHFFFAOYSA-N 363.457 5.198 0 40 FKAB biogenic Cc1ccccc1-c1nc2nc3ccccc3nc2n1-c1ccccc1Cl 2210035 CWHSXEYCPMVSJF-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB CCCCCC(=O)Nc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1 3059453 SBZIKTXUWCZHMJ-UHFFFAOYSA-N 373.537 5.967 0 40 FKAB Cc1cc(-c2csc(NCc3ccccc3)n2)c(C)n1C[C@H]1CCCO1 3393025 YCOWDPFVIQBVGV-GOSISDBHSA-N 367.518 5.020 0 40 FKAB Cc1occc1-c1nnc(SCc2ccc(F)cc2)n1-c1ccccc1 3417892 DKZCNSMPUYVEFU-UHFFFAOYSA-N 365.433 5.267 0 40 FKAB CC(=O)N1c2ccccc2N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1 4133182 XVGCEHVYKXBANW-DEOSSOPVSA-N 354.453 5.614 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 4134762 ACLSMXOFQJOXND-UHFFFAOYSA-N 374.465 5.616 0 40 FKAB O=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)cc(Cl)c1 4248032 YUGYINZBGNGMKR-UHFFFAOYSA-N 363.269 5.272 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2)N3)C1 4553428 HICKERMMIDSBRU-DNVCBOLYSA-N 368.546 6.027 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1 4724000 BKQUTLYVEHPYER-UHFFFAOYSA-N 360.482 6.044 0 40 FKAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1cn(C)c2ccccc12 4747632 RVMCBERPEPPCCZ-OSPHWJPCSA-N 370.496 5.693 0 40 FKAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 4934978 KWQQDXYJANMVAP-JTHBVZDNSA-N 374.415 5.077 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(OCc2ccccc2)cc1 5736964 UTYLWCVCBQLMRJ-XNTDXEJSSA-N 363.844 5.571 0 40 FKAB Cc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 6281386 JUVBVRVVSXBATL-UHFFFAOYSA-N 368.484 5.121 0 40 FKAB O=C(Nc1ccc(F)cc1F)Nc1c2c(nc3ccccc13)CCCC2 6508601 FEFHKQUTHZFMHA-UHFFFAOYSA-N 353.372 5.036 0 40 FKAB O=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(F)(F)F 7098752 SSLWVCLGZOWDRI-UHFFFAOYSA-N 372.173 5.741 0 40 FKAB Cc1cc(C)c2c(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)nc2c1 8717428 YQRANECABFFVME-SBUREZEXSA-N 352.522 5.266 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11689801 WGRKKQARUPXSKN-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Cc1sc(NC(=O)C2CCCCC2)c(-c2nc3ccccc3s2)c1C 12361199 NDOJEYPGQFXLKI-UHFFFAOYSA-N 370.543 6.160 0 40 FKAB O=C1C[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)c2sccc2N1 12428846 SDBLNTDDNRYBTD-QGZVFWFLSA-N 369.873 5.455 0 40 FKAB CSc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12774481 AKVLPFDGGKWNDA-FQEVSTJZSA-N 365.523 5.881 0 40 FKAB CN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CCCC1 20042420 UXAHSNCOGPAICI-UHFFFAOYSA-N 359.922 5.647 0 40 FKAB C(=C/c1cc2ccccc2nc1N1CCCCC1)\c1nc2ccccc2s1 25763984 UGINPONMWNRWAT-OUKQBFOZSA-N 371.509 6.005 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1coc(-c2ccccc2)n1 27446109 REPCUEUAHNXVKN-UHFFFAOYSA-N 362.473 5.770 0 40 FKAB O=C(Cc1cccc2cccnc12)Nc1ccccc1Cc1ccccc1 40025779 JGSMZXPLLRNKRB-UHFFFAOYSA-N 352.437 5.007 0 40 FKAB CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc2ccccc2c1 58139227 YWZPJQHKELQBAW-UHFFFAOYSA-N 361.489 5.335 0 40 FKAB Cc1ccc(NC(=S)Nc2cc(C)ccc2F)c(Br)c1 65695570 DMXOGICWNAJITQ-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(-c4ccccc4Cl)n3C)cc(=O)c2c1 67196942 LTZZYHGLNMAVNB-UHFFFAOYSA-N 363.844 5.736 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC 72215258 OUQNPYQOOXIBHM-WMZOPIPTSA-N 361.530 5.169 0 40 FKAB O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1cccs1 72408086 VZGGBLOHDSYXJK-UHFFFAOYSA-N 364.495 5.710 0 40 FKAB Cc1cccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)c1 89669307 MDSCMZBGLBKZIG-IBGZPJMESA-N 361.470 5.136 0 40 FKAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2cccc(Cl)c2)c1 95946331 OHILTEXNYFGNIU-LJQANCHMSA-N 364.832 5.233 0 40 FKAB CC1(C)[C@]2(c3ccccc3)[C@H]3CC(Br)=C[C@@H]3[C@@]12c1ccccc1 104280677 ZCUSLGXRRGHAJZ-LGGPRVQUSA-N 365.314 5.831 0 40 FKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)cc1 106708331 SVTLBGYTUBULBZ-UNOMPAQXSA-N 367.470 5.019 0 40 FKAB CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 107752074 GOQICQAWSNMGPB-UHFFFAOYSA-N 362.429 5.164 0 40 FKAB COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118923201 JCEJAUVYYGKDSZ-NIRKWIOJSA-N 360.582 6.235 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118933513 BDJOURVDARTIRJ-QTECUETRSA-N 368.649 8.194 0 40 FKAB CC(C)c1ccccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 137536823 XBJJYYFXVLQOQP-MFKUBSTISA-N 373.452 5.838 0 40 FKAB O=C(NC1CCCCC1)c1ccc(COc2ccc(Cl)cc2Cl)o1 196385674 UKUCDJBNUOTFRN-UHFFFAOYSA-N 368.260 5.228 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 223133462 RJFHRFJSDAOJRA-DEOSSOPVSA-N 369.508 5.713 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465907 MIVFLHROUMALBM-SIKLNZKXSA-N 353.506 5.264 0 40 FKAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl 224511344 WGJQWSVJRIDGIS-QGZVFWFLSA-N 373.880 5.079 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2)cc1 224707468 FMKZDOYBODXKBT-FQEVSTJZSA-N 353.824 5.307 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(C)c1 225476242 SYQIVYZJUYYUAI-FXAWDEMLSA-N 369.505 5.162 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225481799 LAHVYNZIHDRSKP-HXUWFJFHSA-N 354.519 5.446 0 40 FKAB CC(C)Oc1cccc(NC(=S)NCCCSC2CCCCC2)c1 225591663 CBIJGNASMLLZDE-UHFFFAOYSA-N 366.596 5.216 0 40 FKAB CCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12)C1CC1 225837182 IAFHJOQOJRYJRT-NYHFZMIOSA-N 355.478 5.161 0 40 FKAB COc1ccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1 225845064 KOCZMJFOFVYHBK-UHFFFAOYSA-N 360.910 5.105 0 40 FKAB CC[C@H](C)n1ncc(NC(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c1C 332195414 YOXOQXFZOIFFRT-KRWDZBQOSA-N 366.509 5.101 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(OCc2ccccc2)c1 408624523 XPIBTLSLPUUUMF-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)c1 408961200 BHQKPQJDBAXRQX-XSFVSMFZSA-N 374.465 5.335 0 40 FKAB Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 409121282 XUEWGOAENBJNNQ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3C)sc2c1 675047 CHIKLWWTBQNBJF-UHFFFAOYSA-N 366.269 5.777 0 40 FKAB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 1095536 VVXAXUWYTOFMKL-FMIVXFBMSA-N 370.239 5.329 0 40 FKAB Cc1c(Cl)cccc1N[P@@](C)(=O)Oc1cccc(Cl)c1Cl 1312351 UZFLEPZIELTZDA-NRFANRHFSA-N 364.596 6.269 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1NC(=O)C(F)(F)F 1467674 LCBKQVBEBWMNFK-NLKGSNSHSA-N 371.830 5.325 0 40 FKAB Cc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)c1 2349503 HDUKKAHIZBVABS-UHFFFAOYSA-N 367.499 5.249 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(C)c(C)c3)ccc21 3451619 PZJRTBWLFUXJGB-UHFFFAOYSA-N 356.469 5.612 0 40 FKAB CSc1ccc(-c2nc3ccccn3c2Nc2ccc(Cl)cc2)cc1 3909940 SLMNPJCZXSJMJE-UHFFFAOYSA-N 365.889 6.120 0 40 FKAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccc(Cl)cc3)o1)N2 4501944 BOFFBAMTOAUKNR-INIZCTEOSA-N 358.850 5.132 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 4545066 ZRDJBGVBZUZEGX-RUDMXATFSA-N 355.743 5.019 0 40 FKAB CCCCSc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 5100765 IDRRXLKEKUFZMC-UHFFFAOYSA-N 372.515 5.449 0 40 FKAB CSc1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 5222788 WJWVDGXZDRHGBK-UHFFFAOYSA-N 371.512 5.189 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)o2)nc2ccccc12 5237256 NGNLFJQXURWCQI-UHFFFAOYSA-N 367.763 5.653 0 40 FKAB CCNc1cc(Oc2ncnc3sc4c(c23)CCCCC4)ccc1C 5638137 LXELMLGGFVZMGZ-UHFFFAOYSA-N 353.491 5.493 0 40 FKAB CCCCCNc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 6310123 UPBSWHJFBKBOQN-LAUBAEHRSA-N 370.566 5.719 0 40 FKAB COc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccccc1F 6857431 OWRWEWNKFQPFNS-UHFFFAOYSA-N 373.512 5.718 0 40 FKAB Cc1ccccc1/N=c1\oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1 8717073 PJDNUEWJHXNNDP-RWEWTDSWSA-N 367.408 5.223 0 40 FKAB Cc1ccc(NC(=S)N(Cc2cccc(Cl)c2)Cc2ccco2)cc1 8846081 JRGWTRYSVRERHT-UHFFFAOYSA-N 370.905 5.641 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 9141853 FTFBFZDAQGJVBG-UHFFFAOYSA-N 358.441 5.062 0 40 FKAB CCOc1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 11689979 GWAWZTLGJMMHDA-UHFFFAOYSA-N 369.848 5.570 0 40 FKAB Cc1scc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)c1C 13227646 CVFZOBMTZSLEAS-UHFFFAOYSA-N 364.514 5.241 0 40 FKAB Fc1ccc(CNCc2cccc(OCc3ccccc3Cl)c2)cc1 16450074 KGAVGKSDGWBRFP-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Nc1c(-c2ccccc2)c(Cc2ccccc2)nn1-c1ccc(Cl)cc1 17087066 PVDJHRLCEGABBW-UHFFFAOYSA-N 359.860 5.366 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(Cl)c1 20046767 IMSGKNIMRNROPT-GOSISDBHSA-N 369.848 5.298 0 40 FKAB Cc1ccc(CN(C)C(=O)CSCc2c(Cl)cccc2Cl)cc1 20458505 IJDQNKWNXUSYAE-UHFFFAOYSA-N 368.329 5.194 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 21888641 GWSACGTVCAPIME-UHFFFAOYSA-N 364.470 5.376 0 40 FKAB Fc1cccc(-c2nc(COc3ccc(Oc4ccccn4)cc3)co2)c1 26778380 VPICBCTUASSWKW-UHFFFAOYSA-N 362.360 5.247 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]2CCCC[C@H]21 39539001 LWVLKIGDNMJMIH-MAUKXSAKSA-N 372.896 5.109 0 40 FKAB CC(C)[C@H](C)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 84409913 LGHBADKFWALNKN-NSHDSACASA-N 354.281 5.052 0 40 FKAB C[C@]12CC3CC(NC(=O)Nc4ccc(Cl)c(Cl)c4)(C1)C[C@](C)(C3)C2 100980745 IGSATVROEVOBFD-PCJZUQFSSA-N 367.320 5.864 0 40 FKAB Cc1ccc(O)c(CN[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 106489143 FHDGPTUGIMMGDN-GFCCVEGCSA-N 373.909 5.032 0 40 FKAB Cc1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 224315695 AZTXHEGASCYIQG-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccccc2)c2ccccc2O1 224963359 OLNGHTIULMELMD-IBGZPJMESA-N 369.530 5.119 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)c(C)c1 225677023 UEPTXPMRUOIDLD-GOSISDBHSA-N 354.519 5.201 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)c(C)c1 225711977 HZSLNVRGRPGWDF-FQEVSTJZSA-N 356.535 5.528 0 40 FKAB Cc1ccccc1COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 226295108 DAJUWZJGZGESEA-UHFFFAOYSA-N 357.453 6.506 0 40 FKAB c1ccc(-c2ccc3oc(-c4ccc5c(c4)-c4ccccc4C5)nc3c2)cc1 226305277 KYBPNWCBZZCRDD-UHFFFAOYSA-N 359.428 6.733 0 40 FKAB C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 245225421 UVDKLLVBUOHGPL-HUXNUIQUSA-N 357.460 5.076 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 408619995 GCEUPSOAQBNVIS-KPKJPENVSA-N 370.880 5.464 0 40 FKAB Cc1cccc(CSc2nnc(Cc3ccccc3)n2CC(C)C)c1 409089917 PDKZMHXKXBJBJP-UHFFFAOYSA-N 351.519 5.126 0 40 FKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccccc1Cl 409110816 AFKBMLNPMIQRSO-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCc1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1 1222368 LSMYHJQNFUIATL-UHFFFAOYSA-N 361.470 5.155 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c(C)c1 1262945 SLFSWMPKIRWBSP-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB FC(F)(F)c1cnc(-c2cnc3cc(-c4ccccc4)nn3c2)c(Cl)c1 1391616 RVPFLIUNLLRAFI-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB Fc1cccc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)c1 2183259 FKMIHFKDFOTISJ-UHFFFAOYSA-N 372.428 5.326 0 40 FKAB O=C(c1ccccc1)[C@H]1CC=C(c2ccccc2)N(Nc2ccccc2)C1 2250495 RKHYNOXFSRSQGC-NRFANRHFSA-N 354.453 5.259 0 40 FKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 2257762 WHZMWYYMOMSXHQ-UHFFFAOYSA-N 356.816 5.289 0 40 FKAB CC(C)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 2764402 QLRDGBSNHVOAGM-UHFFFAOYSA-N 364.297 6.584 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 3181502 XBWJDIDBBVALIY-DEOSSOPVSA-N 363.460 5.785 0 40 FKAB CC1=Nc2ccccc2Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 3844341 YTTUSSRQEZSFED-UHFFFAOYSA-N 351.409 5.188 0 40 FKAB biogenic Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCC(C)CC2)o1 4424268 ABJMQCPBUBNSPQ-JKPXSAOISA-N 370.880 5.691 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccc(Cl)cc2)(c2ccccc2)CCO1 4872076 ADNCXHJRTIMDFL-PKTZIBPZSA-N 371.952 5.737 0 40 FKAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2C)c1 5024440 ZJHWLAJHSOCZDM-CCEZHUSRSA-N 352.437 5.173 0 40 FKAB Cc1ccccc1CSc1nnc(-c2cccs2)n1Cc1ccco1 5046995 OOEKANWELYHCMY-UHFFFAOYSA-N 367.499 5.249 0 40 FKAB CCN(CC)c1ccc(N[C@@H](C[C@@H](O)c2ccccc2)c2ccccc2)cc1 5479664 ARVBGCIWRJWUQE-LOSJGSFVSA-N 374.528 5.810 0 40 FKAB O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)Sc2ccccc21 6495621 SRDSLHPAVZQUNQ-FYJGNVAPSA-N 362.425 5.734 0 40 FKAB O=C(Nc1ccncc1Cl)[C@H](Sc1ccccc1)c1ccccc1 6605675 MDCSBOBVOLTFAS-GOSISDBHSA-N 354.862 5.207 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccccn2)cs1 6830904 MKGWPNQZFHOFBY-UHFFFAOYSA-N 371.465 5.053 0 40 FKAB CC(C)CN(C(=O)/C=C/c1cccc(Cl)c1)c1nc2ccccc2s1 7780329 VRTPUNJWQKCVEK-ZHACJKMWSA-N 370.905 5.652 0 40 FKAB COc1ccc([C@@H](NC(=O)N[C@H](C)c2cc3ccccc3o2)C(C)C)cc1 9869457 CHBLRAHVDNKZPW-VFNWGFHPSA-N 366.461 5.199 0 40 FKAB Cc1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)cc1 11866430 GNWMBHXEGALRKX-UHFFFAOYSA-N 371.436 5.881 0 40 FKAB biogenic CSc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 12824941 SHBTZWGJNLFLTL-UHFFFAOYSA-N 371.465 5.271 0 40 FKAB CC[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 13408674 ORZBNFZTRWEXII-KJFLTHLTSA-N 360.538 5.310 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccccc3)o2)cc1Cl 16313033 QQHDSQLFXBAZDO-ZRDIBKRKSA-N 351.833 5.238 0 40 FKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2cccc(C)c2)n1 17075911 CWCWBCAAUNYSML-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB O=C(CCc1ccccc1F)N1CCCC[C@H]1c1nc2ccccc2s1 24386615 SGRRUMCGJMSHJE-SFHVURJKSA-N 368.477 5.122 0 40 FKAB FC(F)(F)c1cccc(-[n+]2cc(-c3cccs3)n3c2CCCCC3)c1 26441685 DOLFZCSTGVSRMS-UHFFFAOYSA-N 363.428 5.239 0 40 FKAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 29063722 KTYPFDYCBITESI-OAHLLOKOSA-N 368.864 5.113 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1Cl 40913289 KSYTWRMABDFJCC-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB c1ccc(C[C@H](c2ccccc2)[C@@H](Cc2ccccc2)c2ccccc2)cc1 51139511 AOEDHVIDHZGXAP-HNRBIFIRSA-N 362.516 7.039 0 40 FKAB Clc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1Cl 67321764 UUYFWOWMCHQKIR-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c2cccnc12 102894935 ZQLGEIJKPCVQPD-VKFLQFAXSA-N 354.881 5.060 0 40 FKAB Clc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1 200598603 HBVDTVVYQFVEEU-UHFFFAOYSA-N 356.650 6.200 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc21 216324961 OZNCATNWXXJJAC-FGZHOGPDSA-N 359.469 5.191 0 40 FKAB S=C(NCCSCc1ccc(Cl)cc1)Nc1cccc(Cl)c1 225301780 WVUITBCXKZWFQW-UHFFFAOYSA-N 371.358 5.213 0 40 FKAB FC(F)(F)c1cc(NC(=S)NC2(C3CC3)CCCC2)ccc1Cl 225854825 CFUCCQCOZGQATI-UHFFFAOYSA-N 362.848 5.368 0 40 FKAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)c(C)cc3o2)c1 226284525 WSAFSEWNMYVRKY-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB Clc1ccc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2c1 226295322 JETLFTIIUSWSJD-UHFFFAOYSA-N 370.235 6.381 0 40 FKAB Oc1nc(-c2ccc(-c3ccc(Cl)cc3)o2)nc2ccc(Cl)cc12 253536174 JZCGIKQLQQWTJQ-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)c1C 408961138 ALMKATFSZIXLFU-XSFVSMFZSA-N 374.465 5.335 0 40 FKAB O=C(NCC(c1ccco1)c1ccco1)Nc1ccc(Cl)c(Cl)c1 675007733 LLHDNHCOOBAFJX-UHFFFAOYSA-N 365.216 5.133 0 40 FKAB O=C(NCCc1ccccc1)c1sc2cc(Cl)ccc2c1Cl 625109 WZUMDULOOXPZOZ-UHFFFAOYSA-N 350.270 5.181 0 40 FKAB S=C(Nc1ccccc1)N1[C@H](c2ccccc2)CCN1Cc1ccccc1 1443402 UCEBNLUZRMPKOL-QFIPXVFZSA-N 373.525 5.248 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1 1505749 FKIIMXXLVMXXQL-UHFFFAOYSA-N 373.195 5.647 0 40 FKAB O=C1O[C@](Oc2ccc3ccccc3c2)(c2ccccc2)c2ccccc21 1646454 BKLCPJRXUIWIBE-XMMPIXPASA-N 352.389 5.290 0 40 FKAB Cc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1C 1863831 FNFVVFABCAKZBB-UHFFFAOYSA-N 353.358 5.981 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C)c1C)C3 2114641 CSLMMKCLLVYAHP-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccc2ccccc2c1 2663136 QXCFHDAITMIDIA-UHFFFAOYSA-N 373.905 5.419 0 40 FKAB CCCOc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 3623018 POPNKAAAVJALPN-UHFFFAOYSA-N 356.469 5.464 0 40 FKAB O=C(CCNc1ccc2c(c1)oc1ccccc12)c1cc2ccccc2o1 4622527 DFIWTDOJZRLJBS-UHFFFAOYSA-N 355.393 6.017 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(C)cc1 4859413 CYPGHBYVXGDITH-UHFFFAOYSA-N 352.459 5.513 0 40 FKAB CCOc1ccc(N(C)c2ccc(/C=C3/SC(=S)N=C3O)cc2)cc1 5027444 PHAQFNIPMCUMME-SFQUDFHCSA-N 370.499 5.182 0 40 FKAB COc1ccccc1[C@@H](Nc1cc(C)ccn1)c1c(C)[nH]c2ccccc12 5753061 FAPVYZAJYZEUOB-HSZRJFAPSA-N 357.457 5.390 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 5903406 QDJXRDPFUCKXDK-KNTRCKAVSA-N 369.508 5.903 0 40 FKAB CCOC(=O)CSc1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 6387189 WCJANDSNYZHCAE-UHFFFAOYSA-N 371.889 5.519 0 40 FKAB C[C@H](NC(c1ccccc1)c1ccccc1)c1nnc(-c2ccc(F)cc2)o1 6544740 OWXQHRYHFLLAGK-INIZCTEOSA-N 373.431 5.316 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CC1 6831510 WIUYVYBZLBKRFZ-UHFFFAOYSA-N 354.881 5.001 0 40 FKAB Cc1[nH]c2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2c1C 7735669 ZRVGYQAJXCFBRQ-UHFFFAOYSA-N 362.429 5.079 0 40 FKAB Cc1ccc(CSCCNC(=O)c2ccccc2SC(C)C)cc1 8050526 ZPGBVHSUYRIGCK-UHFFFAOYSA-N 359.560 5.159 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8498588 DODGPBFAJASNGG-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 12194907 ILSQVBUIQAZJJU-OFNKIYASSA-N 374.509 6.114 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSc1cc(C)c2ccccc2n1 12601927 XSGQEFKGTQRSTM-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB CCCCC/C=C\C/C=C\CCCCCCCC1=NC(C)(C)CN1C(C)C 17148024 FJQBQHDALVQQQD-XVTLYKPTSA-N 374.657 7.701 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3C)c2)cc1 17312515 DMORKIDDDZXERR-IBGZPJMESA-N 358.485 5.407 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 19933603 HHDHSNRKOWJYLF-BEFAXECRSA-N 361.938 5.705 0 40 FKAB C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 20551335 HLPCBPLNGJMKFY-GFCCVEGCSA-N 354.302 5.104 0 40 FKAB COc1ccccc1-c1cc2nc(C)cc(Nc3cc(C)cc(C)c3)n2n1 21150523 AFHYJZXNTXFZSA-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N(Cc1cccc2[nH]ccc12)C1CC1 32071377 SWKDLUSXWAZAGB-UHFFFAOYSA-N 359.256 5.280 0 40 FKAB O[C@@H](COc1ccccc1-c1nc2ccccc2s1)c1ccccc1F 32810197 FIJBDYYIQMYSEO-SFHVURJKSA-N 365.429 5.215 0 40 FKAB CCc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33562145 BIOSDBVWBRYQTB-LSVCFVEQSA-N 357.453 5.618 0 40 FKAB Cc1ccc2nc(-c3cccc(O)c3)c(Nc3ccc(C)c(Cl)c3)n2c1 35622053 CXLCSAKYXVZYNY-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(Cl)cc1 35647440 GQNKGODMLUJOLX-LDADJPATSA-N 364.857 5.385 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1nc(-c2ccco2)sc1C 83823510 HFLSSBIJPWOWCU-UHFFFAOYSA-N 374.893 5.742 0 40 FKAB Cc1cc(C)cc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194099 OWJHIOXGHHEOIR-UHFFFAOYSA-N 360.442 5.191 0 40 FKAB C[C@@H](Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)O 118076335 IQMQCXUUGKFKPR-MRVPVSSYSA-N 361.608 5.291 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NCC(=O)O 150374048 YLEARPUNMCCKMP-LIJGZOPESA-N 361.526 5.333 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Cc2cc(C)ccc2C)c2ccccc2O1 224644537 AFQOINJGYKVCEZ-HXUWFJFHSA-N 351.490 5.045 0 40 FKAB COc1cccc(NC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 225760710 NSEFDAGVUDFFJN-UHFFFAOYSA-N 368.820 5.785 0 40 FKAB CCc1ccc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2c1 226295038 WMJUERWDPHSLTC-UHFFFAOYSA-N 363.844 6.290 0 40 FKAB C[C@]12CC[C@H](OCc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 253617609 XVAQUNQDQASSEH-UGFNJNLGSA-N 366.589 7.005 0 40 FKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1C 408561332 HWXXCPPLHCWTCN-FCQUAONHSA-N 364.514 5.211 0 40 FKAB Cc1ccccc1N=c1[nH]c(-c2ccc(Br)cc2)c(C)s1 409058724 SSBCVFTUYPOQLV-UHFFFAOYSA-N 359.292 5.355 0 40 FKAB O=C(Nc1nc(-c2ccccc2)sc1-c1ccccc1)c1ccccc1 626925 GRCSZOCDAWTFON-UHFFFAOYSA-N 356.450 5.729 0 40 FKAB Cc1cccc(C)c1NC(=O)c1sc2cc(Cl)ccc2c1Cl 685804 YEEBNXVJCOYOPI-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 711043 NMLDMJRWJYCYGL-JQWIXIFHSA-N 352.183 5.235 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 851708 HSRZKTUSZAYVIY-LJQANCHMSA-N 352.796 5.250 0 40 FKAB CCn1c(=S)sc2c(N3CCCCCC3)nc(-c3ccccc3)nc21 1424362 CSXMLQACFBZLQW-UHFFFAOYSA-N 370.547 5.290 0 40 FKAB Cc1ccc(C(C)C)cc1Oc1nc(-c2ccccc2O)nc2ccccc12 1870241 IOBMQFUJFHNKGW-UHFFFAOYSA-N 370.452 6.227 0 40 FKAB Clc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2308364 JEYWQILIYYXZTM-UHFFFAOYSA-N 356.816 5.289 0 40 FKAB Cc1nn2c(Nc3cccc(Cl)c3)c3c(nc2c1-c1ccccc1)CCC3 2433216 YQIUDBHYSSCMMW-UHFFFAOYSA-N 374.875 5.590 0 40 FKAB Cc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 2446087 USQUKMNJWLNUKU-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB CC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1 2663445 DFAFKGDLVVCRTN-UHFFFAOYSA-N 372.799 5.370 0 40 FKAB CCc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(Cl)cc1 2964209 YKTJEVRPYHGAJG-UHFFFAOYSA-N 367.857 5.799 0 40 FKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccncc1 3235308 NMJJTTNPTINBQK-HNNXBMFYSA-N 370.905 5.070 0 40 FKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 3337185 WJZJPFZVENAAAU-UHFFFAOYSA-N 366.800 5.172 0 40 FKAB O=C(Nc1cccc(F)c1)c1cc2sccc2n1Cc1ccccc1 4970923 AWFRPRPOPDKKLF-UHFFFAOYSA-N 350.418 5.143 0 40 FKAB COc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5460356 JGGBPPKNCKVNQM-CTNGQTDRSA-N 373.431 5.330 0 40 FKAB COc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(O)cc1)[C@H]2c1ccccc1 6591279 YHYXTSRIFWSWTK-XZOQPEGZSA-N 360.453 5.488 0 40 FKAB Cc1cc(C)c2nc(SCC(=O)Nc3c(C)cccc3C)cc(C)c2c1 6788545 ORJDQDGACSLWSK-UHFFFAOYSA-N 364.514 5.508 0 40 FKAB Cc1cccc(-c2nnc(-c3cc(-c4ccccc4)nc4ccccc34)o2)c1 7041225 RJGMFJWFGKVFBJ-UHFFFAOYSA-N 363.420 5.927 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4cscn4)c23)cc1 8280243 IFDGVEGWEQPNRC-UHFFFAOYSA-N 355.513 5.416 0 40 FKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1csc2c1CCCC2 14052870 VMGJPKRONZTCCX-UHFFFAOYSA-N 373.522 5.337 0 40 FKAB Cc1nc(C)c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)s1 14128513 YCZWZIANLJNAAU-UHFFFAOYSA-N 366.530 5.480 0 40 FKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3SC(F)F)cc2)n1 14603274 ZDMDOFYXEXQLPN-UHFFFAOYSA-N 373.428 5.056 0 40 FKAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1 14649187 SVCQZEYFWHZIFZ-UHFFFAOYSA-N 362.267 5.189 0 40 FKAB CC(=O)c1sc(NC(=O)/C=C/c2sccc2C)nc1-c1ccccc1 14657948 ICUYKVUSQHWANH-CMDGGOBGSA-N 368.483 5.035 0 40 FKAB CCOc1ccc([C@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1OCC 16317310 WUQBVTSXERUZQM-INIZCTEOSA-N 372.534 5.148 0 40 FKAB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2ccccc2F)n1 17073617 HSADSYRYXMIJAP-UHFFFAOYSA-N 356.444 6.021 0 40 FKAB CSc1cc(/C=C\c2cc(Cl)sc2Br)cs1 17118116 QWANSRPHEJIXNX-IHWYPQMZSA-N 351.743 6.118 0 40 FKAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(C(F)(F)F)cc1 19927072 NFZJFMINTAKGID-HNNXBMFYSA-N 357.784 5.137 0 40 FKAB Cc1ccccc1NC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072480 FVDVOKRIEQHRKA-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB CCc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c1 23119039 WHDAFBVRCXETMN-UHFFFAOYSA-N 372.877 5.288 0 40 FKAB CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 24252644 WWLJDEOHKCBSIP-OAHLLOKOSA-N 371.695 5.326 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(OC)cc2)cc1 27664311 AVRGHDILBXKWOB-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc(Cl)ccc2o1 41311004 NRQBKUJKKDVFDT-UHFFFAOYSA-N 374.145 6.011 0 40 FKAB Fc1ccc(-c2cnc(SCc3csc(-c4ccco4)n3)o2)cc1 58358129 CBXMQPJYXUGEGF-UHFFFAOYSA-N 358.419 5.490 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccsc2)cc1 61997214 UAXWDHNBILQMTJ-UHFFFAOYSA-N 361.422 5.286 0 40 FKAB CCc1ccc(-c2nc3ccc(NC(=O)c4ccc(C)cc4)cc3o2)cc1 98086872 HBRWFGKETRPXNO-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB CCCCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C 100741002 ULKPKSITLDMDMJ-JXDTVZCFSA-N 365.558 5.325 0 40 FKAB biogenic Cc1cc2occ(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C 108914211 PSGPBLAJFRQSBM-OGNFBWPZSA-N 353.506 5.348 0 40 FKAB CCOC(=O)CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118929170 NROMSNOPHMXOQW-HKZQYKGFSA-N 362.554 5.368 0 40 FKAB CC(C)(C)C[Sn](Cl)(CC(C)(C)C)CC(C)(C)C 195776050 BYEPCKDQWIGSLC-UHFFFAOYSA-M 367.593 6.309 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)N1CCS[C@@H](c2ccccc2)CC1 206988340 AURVMVSHZLAAEZ-UFUQCMIWSA-N 357.906 5.060 0 40 FKAB Clc1cc(NCc2c(Cl)cccc2Cl)ccc1Br 218005442 ZKWDDGDAPINEQP-UHFFFAOYSA-N 365.485 6.021 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C 222914029 IKGAZORPNPEXOV-IBGZPJMESA-N 359.897 5.742 0 40 FKAB CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223353814 VVGYKQAZSXAZGA-INIZCTEOSA-N 371.546 5.730 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 223385368 RKMUKORPHNHXHY-CXUHLZMHSA-N 355.481 5.888 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCCOc1ccccc1C(C)C 223797308 JFKNXKJJLBRVGH-UHFFFAOYSA-N 357.519 5.119 0 40 FKAB Cc1cc(C)cc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)O)c1 225138905 ACDYMVOBDSAVLI-JOCHJYFZSA-N 362.425 5.170 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1Cl 225345569 CGLSDALFJKLAOJ-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225513718 RPFBYASEHDWAPZ-UHFFFAOYSA-N 351.490 5.543 0 40 FKAB Fc1ccc(CSCCCNC(=S)Nc2cccc(Cl)c2)cc1 225614376 KHFFGGIKEYKKGT-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccc(C)cc1 225679612 IQCXNOUPRZGRBY-PKTZIBPZSA-N 365.517 5.299 0 40 FKAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)CCS1 225742077 FMZDQQDOJVWPRG-GOSISDBHSA-N 363.885 5.108 0 40 FKAB CCN1c2ccccc2S[C@@]12C=Cc1cc(Br)ccc1O2 226864166 MEVBVWWZGOKHFZ-KRWDZBQOSA-N 360.276 5.141 0 40 FKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1 257260533 LDHANXQYYOTIOW-RZUBCFFCSA-N 371.908 5.464 0 40 FKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1 408562650 REGXUAWMMUUQCT-XDOYNYLZSA-N 370.905 5.248 0 40 FKAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 408733781 QPQUMLAAOUBLNN-HSZRJFAPSA-N 356.469 5.637 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 409114427 HNMDPQTYSVNQCS-UHFFFAOYSA-N 361.485 5.757 0 40 FKAB Cc1ccccc1NCc1cccc(OCc2cccc3ccccc23)c1 409117481 OTQLXKLIVVDECZ-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 409121038 XVWCJBXTCUUIJK-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c2c(C)c1C 663221 YTNGCPGXPYZITK-UHFFFAOYSA-N 365.285 5.342 0 40 FKAB COc1cccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 855424 AINKXEPEWPXEIY-HTAPYJJXSA-N 372.468 5.287 0 40 FKAB Cc1cc(OCc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)ccc1Cl 1002841 WZKLZSDTKXVEBZ-OAHLLOKOSA-N 369.848 5.311 0 40 FKAB Clc1ccc(Oc2nc(Cl)nc(Oc3ccc(Cl)cc3)n2)cc1 1657287 UJLTYAFXTVJVAL-UHFFFAOYSA-N 368.607 5.416 0 40 FKAB Cc1c(Cl)cccc1Nc1nc(-c2ccccc2F)nc2ccccc12 2210365 XJXNUFSJVIHHCO-UHFFFAOYSA-N 363.823 6.141 0 40 FKAB Cc1ccc2c(COC(=O)C3CCC(C(C)(C)C)CC3)cc(=O)oc2c1C 3347781 YIZDGJRFPOLKGM-UHFFFAOYSA-N 370.489 5.306 0 40 FKAB Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1C 4046449 FNQPOGZJDHTELR-UHFFFAOYSA-N 368.484 6.351 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N[C@@H](C)c2ccccc2)cc1 4691520 KHTFQQBMMTVIDX-ROUUACIJSA-N 366.505 5.042 0 40 FKAB Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)cc1 5264788 ALHASLHBBBHYNM-UHFFFAOYSA-N 373.481 5.155 0 40 FKAB Cc1ccc(-c2csc(/C=C/c3cccc(Br)c3)n2)cc1 6079218 DQZFDKRIHYDABW-JXMROGBWSA-N 356.288 6.051 0 40 FKAB O=C(OCc1c(F)cccc1Cl)c1ncc(Cl)c(Cl)c1Cl 7777424 GHXGVEVRPYYJAE-UHFFFAOYSA-N 369.006 5.191 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 9064463 RNLBGLKBXILZHU-QGZVFWFLSA-N 352.478 5.105 0 40 FKAB C[C@@H](C(=O)Nc1nccs1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419629 KBWZHKYBGYKCTJ-SNVBAGLBSA-N 355.850 5.173 0 40 FKAB O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1 12021202 RFJRXQHCLHSMRT-UHFFFAOYSA-N 366.258 5.296 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21)c1ccccc1 18102240 MHYNSJVWRVYYJJ-NZXJAIKPSA-N 372.512 5.540 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 22522525 KIRWFFDZYWBOPY-INIZCTEOSA-N 354.302 5.181 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2ncsc2c1 26146797 FXHUFSFTQXYLBJ-UHFFFAOYSA-N 371.421 5.357 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 30850692 XCOYSKVMMINOTC-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB COc1ccc(OC)c(Nc2c(-c3cccs3)nc3ccc(C)cn23)c1 35622072 VEBFRWUMJCYPPU-UHFFFAOYSA-N 365.458 5.132 0 40 FKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2c3ccc4c(c3CC[C@@]21C)CCCC4 71775187 VLVSPITURLTIAR-LBANBBHTSA-N 366.633 7.720 0 40 FKAB CCOc1ccc([C@H](C)N(C)Cc2c(C(C)C)[nH]c3ncccc23)cc1 72393372 ZHSROVMTPARQBT-INIZCTEOSA-N 351.494 5.278 0 40 FKAB CC(=O)Nc1c(-c2cc(=O)oc3cc(C)c(Cl)cc23)oc2ccccc12 100653784 QNMPYVDVZMFEJC-UHFFFAOYSA-N 367.788 5.126 0 40 FKAB biogenic CC[C@H](CNC(=S)Nc1cccc(OC(C)C)c1)Cc1ccccc1 225633050 TXCDMVLLWYHABU-KRWDZBQOSA-N 356.535 5.029 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2ccccc12 225811403 VBKQSNRTANVHLT-UHFFFAOYSA-N 369.505 5.553 0 40 FKAB Cc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)ccc1N 226303197 NLKXQNJTNSGKNK-UHFFFAOYSA-N 374.528 5.606 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(=O)O)o3)c2)cc1 226355928 YQCVMJITPWNYNA-UHFFFAOYSA-N 369.804 5.113 0 40 FKAB C[C@H]1C[C@H](c2ccc(Cl)c3ncccc23)CN(C(=O)OC(C)(C)C)C1 1772715182 RSFJQFFCUXNJAY-KBPBESRZSA-N 360.885 5.249 0 40 FKAB O=Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)s2)s1 977793 RXYSVUGMNAQOBC-UHFFFAOYSA-N 365.435 5.203 0 40 FKAB COc1cc2c(C(=O)O)c(C)n(-c3ccccc3Cl)c2c2ccccc12 2283795 SAMGCWDIDHCYRM-UHFFFAOYSA-N 365.816 5.452 0 40 FKAB Cc1c(Cl)cccc1-n1c(-c2ccccc2)cn2c3ccccc3nc12 3290242 PJHZTUJRWSLOOH-UHFFFAOYSA-N 357.844 5.907 0 40 FKAB C[C@H](CCc1ccccc1)NC(=S)Nc1cccc(C(F)(F)F)c1 3290737 HGOOSGQLZGIEGW-CYBMUJFWSA-N 352.425 5.013 0 40 FKAB C[C@@H](c1ccccc1)N(C(=O)c1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 5488008 WXCZQBUQQLWSLH-FUHWJXTLSA-N 371.908 5.501 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1C(F)(F)F 5938485 RDCZDUHCFPNVCS-UHFFFAOYSA-N 355.359 5.549 0 40 FKAB Cc1c(C(=O)O)ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6960289 PZZWJKDFQSNUAV-JMERFSKESA-N 374.267 5.827 0 40 FKAB COc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)c(OC)c1 7275117 FFSALJSIFRMCPJ-UHFFFAOYSA-N 368.483 5.028 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 9141017 DLSUXACIXODBKM-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc2ccccc2s1 12620701 LOMKHISQVZXQLD-UHFFFAOYSA-N 372.421 5.555 0 40 FKAB COc1ccc(Nc2ccc(NC(=O)CCCc3cccs3)cc2)cc1 17592973 CUANFLPSXVWWAT-UHFFFAOYSA-N 366.486 5.462 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 19691531 GDICLCOAGMLPEF-JOCHJYFZSA-N 360.432 5.173 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccc(C)cc1 20493378 QALVBDMHKZFCEW-FGZHOGPDSA-N 361.485 5.573 0 40 FKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccccc1F 33675892 TYOODQPEVRPXSO-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39750212 KHWUAFWDNHUWMJ-UHFFFAOYSA-N 370.924 5.314 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSCc1c(Cl)cccc1Cl 59107163 WQONAYNIBSITFZ-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2oc(C3CC3)nc2c1 70010319 XVXUMOSYAIHYMY-UHFFFAOYSA-N 359.429 5.148 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72215116 GPXIWYQIHNNMMD-WMZOPIPTSA-N 361.530 5.167 0 40 FKAB Cc1ccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1 100683572 SFUWDBKYNKBXQU-HSZRJFAPSA-N 355.462 6.246 0 40 FKAB in-man C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(N5CCCCC5)=CC[C@]34C)[C@@H]1CC[C@H]2O 118935508 RCEDLDDSTBBSOK-YEWUNFOKSA-N 357.582 5.370 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C 216489116 DMKAVYBEGITTHA-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCCC2 223112975 IMNGRERZQFYOLI-OAQYLSRUSA-N 355.909 5.419 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 224785767 KAUGTRPWAIFECG-JOCHJYFZSA-N 365.517 5.486 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCCC2)c1 225540668 JGBOSSJPEOFVQP-UHFFFAOYSA-N 365.517 5.931 0 40 FKAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c2ccccc12 225799065 LJMYNWXUFPCOOZ-UHFFFAOYSA-N 371.521 5.654 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N)cc3Cl)o2)cc1Cl 227157613 VTJKTXOFXZEODX-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CCc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1 409094623 DZEJXNWYMCXQFO-UHFFFAOYSA-N 358.470 5.043 0 40 FKAB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 682988 OCIXVEULGJJYBX-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)o1 683103 WSTMQADKWGJSJC-UHFFFAOYSA-N 350.256 5.541 0 40 FKAB COc1cc(-c2nnc(-c3ccccc3C)o2)ccc1OCc1ccccc1 892005 ZREHRRSPKBKIBI-UHFFFAOYSA-N 372.424 5.300 0 40 FKAB O=C(c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 1382862 QAIIYMOYRSEIEW-KBPBESRZSA-N 370.073 5.742 0 40 FKAB CCCCCOc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774607 HVJUWCMSYDCNFM-UHFFFAOYSA-N 352.430 5.771 0 40 FKAB Cc1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1C 2054796 WJBDQKIYWYIWRU-UHFFFAOYSA-N 352.528 6.213 0 40 FKAB CCc1ccc(-n2sc3c(c2=S)-c2cccc(C)c2NC3(C)C)cc1 2070246 QZTBSEIKMXRQMX-UHFFFAOYSA-N 366.555 6.467 0 40 FKAB O=C(O)CCCCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242951 DRZIJDGACZQXLN-UHFFFAOYSA-N 370.289 5.332 0 40 FKAB O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(-c2ccccc2)cc1 2375061 KQDSEXVHSSHXEN-UHFFFAOYSA-N 364.404 5.313 0 40 FKAB Fc1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)c(F)c1 3244396 YVPHDCVMZYDDKD-UHFFFAOYSA-N 355.413 5.005 0 40 FKAB COc1ccc(NC(=S)Nc2ccccc2Sc2ccccc2)cc1 3255083 SDOBRIYBRQWAGE-UHFFFAOYSA-N 366.511 5.655 0 40 FKAB O=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 3896094 BBAMTOWFQNMORA-RBZOQEBVSA-N 352.437 5.520 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1ccccc1F 5002005 KXARAULZYDDRKG-UHFFFAOYSA-N 372.399 5.324 0 40 FKAB Cc1ccc(-n2ncc3c2/C(=C/c2ccc(Cl)cc2)CC3)cc1Cl 5788503 CXFFHSRAKGUWAF-XNTDXEJSSA-N 355.268 5.974 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 5863471 XLCMVWILCXLIRW-JTQLQIEISA-N 356.274 5.121 0 40 FKAB C[C@@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 8404959 FHEBSAUONFQOMM-ZDUSSCGKSA-N 356.878 5.297 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1Cl 8481094 WBPPMYYWHXGVPL-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB C[C@@H]1Oc2c(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cccc2[C@H]1C 9579259 DTXIBQQLTJRPHS-IHRRRGAJSA-N 366.486 5.014 0 40 FKAB COCc1c(C(=O)Nc2ccccc2SC(F)F)oc2ccccc12 9738941 IFZBYOJZVDJKTG-UHFFFAOYSA-N 363.385 5.146 0 40 FKAB Cc1cc(Cl)ccc1/N=c1\ssc2c1-c1ccccc1NC2(C)C 13552413 LITBLGWJTLZKHH-UZYVYHOESA-N 372.946 6.331 0 40 FKAB COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3C)C2)cc1 13626821 AMMQYJVULUAXRF-FQEVSTJZSA-N 363.486 5.124 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14013428 PNSAVYKGSGHMTD-MRXNPFEDSA-N 372.679 5.751 0 40 FKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)n1 15010927 PMDQTKCBPQZMSQ-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB O=C(Nc1cccc2ccccc12)N(c1ccccc1)c1cccc(Cl)c1 16487922 SGHSASVQMXWIQV-UHFFFAOYSA-N 372.855 6.863 0 40 FKAB C[C@H]1CCCC[C@H]1N1CN(c2ccccc2)C(=S)N(c2ccccc2)C1 20374919 XDQUFZGDZXHXFK-GHTZIAJQSA-N 365.546 5.094 0 40 FKAB Fc1cccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)c1 21017286 VVVZPOSNZDSHET-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB Cc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)co2)c(C)c1 23006399 ORQKDEYUTRWRFC-UHFFFAOYSA-N 353.443 5.022 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@H](C)C5)CC[C@@H](C)C3)c1 23292902 PBZATMMGISRVBB-CVEARBPZSA-N 361.554 6.521 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1ccc(CSc2ccccc2)o1 28193849 PIJUSTCNSCPSDG-UHFFFAOYSA-N 361.825 5.617 0 40 FKAB Cc1ncsc1C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 84065659 DGXQUPZVHYZJSH-UHFFFAOYSA-N 367.518 5.085 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C 98043902 BDJOURVDARTIRJ-HKQCOZBKSA-N 368.649 8.194 0 40 FKAB CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 216895105 ILAJRKGJUGJSSG-RMKNXTFCSA-N 351.229 5.149 0 40 FKAB CC(C)C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225374411 VPOYYJVLJIWONK-IBGZPJMESA-N 364.316 5.830 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784559 DSGDLYYUMGYHSP-JTQLQIEISA-N 360.668 5.326 0 40 FKAB COC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC(C)CC1 225811370 GJWKIDFSQDLPEC-UHFFFAOYSA-N 355.478 5.161 0 40 FKAB CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(F)cc1 408828052 NETMVHSJJURBLK-UHFFFAOYSA-N 354.450 5.462 0 40 FKAB Cc1ccc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc1 408838403 FGKMEQBFHYUHCM-XNTDXEJSSA-N 367.857 5.516 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409011074 LXGFHEWAWWXXQE-SJPXOZHESA-N 367.470 5.100 0 40 FKAB Cc1cccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 409381356 LRDDZBJRMRCATP-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB COc1ccccc1Nc1cc(-c2ccccc2)nc2c(OC)cccc12 680240 YLPZXZLUPASIGV-UHFFFAOYSA-N 356.425 5.663 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 854632 AENOXHKGVOKDNL-JTQLQIEISA-N 370.699 5.222 0 40 FKAB Cc1ccc(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)cc1 1068211 DQNOAWVMJBRQQN-UHFFFAOYSA-N 350.032 5.256 0 40 FKAB FC(F)(F)c1cc(C(F)(F)F)n(-c2ccccc2-c2ccccc2)n1 1385037 CIUOOIHNBLJXDG-UHFFFAOYSA-N 356.269 5.577 0 40 FKAB Cc1ccc2c(c1)S[C@H](c1cc3c(cc1Br)OCO3)S2 1630529 RRVWEMDKQTVSTK-OAHLLOKOSA-N 367.289 5.383 0 40 FKAB CC(=O)[C@H]1c2ccccc2[C@](C(C)=O)(c2ccccc2)[C@@H]1c1ccccc1 1692702 RNKAQPXYHASEMI-GVAUOCQISA-N 354.449 5.032 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3Cl)N=C(O)CCN21 2218285 LPRGDVISWUXNLB-RSNBEDGSSA-N 366.892 5.516 0 40 FKAB CCCCCNc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2272808 UQDNGXIHWDJAQA-UHFFFAOYSA-N 354.523 5.283 0 40 FKAB O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)c1ccccc1 3018781 IQLOORVXKGTSST-UHFFFAOYSA-N 366.420 5.344 0 40 FKAB CCCCN(CCCC)Cc1c(NC(=O)c2ccccc2)sc(C)c1C 3142507 ZXDVNQSFRFNBQN-UHFFFAOYSA-N 372.578 6.019 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 4517384 ISHSUJQQPHQHIA-UHFFFAOYSA-N 354.500 5.401 0 40 FKAB CCCn1c(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)nc2ccccc21 6313762 GLKYNUJTUZKQGI-ZHACJKMWSA-N 373.378 5.117 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@H]21 7096974 MCAWNCKKIGGCPS-KHCICDEESA-N 367.448 5.878 0 40 FKAB C[C@@H](CNC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 7963052 QSCGCUNNLCSZGI-AWEZNQCLSA-N 362.454 5.090 0 40 FKAB CC(=O)Nc1ccc(C(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)cc1 12567299 DECAMEFOUCDTFZ-ZDUSSCGKSA-N 367.832 5.102 0 40 FKAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 13646865 GKPTZVJEWYVLIG-LBPRGKRZSA-N 350.289 5.782 0 40 FKAB CCCCOc1ccc(NC(=O)c2ccc(Cl)cc2)c2cccnc12 15841064 DDVFQQGTCJEIKI-UHFFFAOYSA-N 354.837 5.319 0 40 FKAB CC(C)c1ccc2occ(CC(=O)Nc3ccccc3C(F)(F)F)c2c1 16806289 OFAPIDMDIFYOQD-UHFFFAOYSA-N 361.363 5.756 0 40 FKAB Cc1ccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1 17074217 LLLKXYVQKNUPAO-UHFFFAOYSA-N 360.407 5.852 0 40 FKAB Cc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 17076589 DVJNELFMNVNVHF-UHFFFAOYSA-N 374.434 6.160 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(c(-c3ccco3)nc3c(-c4ccccc4)cnn23)C1 35323956 CEIQREFDKPTNBA-QGZVFWFLSA-N 371.484 5.807 0 40 FKAB O=C(OCc1cc(-c2cccs2)on1)C1(c2cccs2)CCCC1 38767056 YVYHTDPOTFYLFR-UHFFFAOYSA-N 359.472 5.020 0 40 FKAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1c(Cl)cccc1Cl 58217819 IQWHZMMEERKKIH-JOCHJYFZSA-N 367.219 5.461 0 40 FKAB Cc1cccc(Cl)c1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71761665 JXLAPDBHHUOMKZ-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 78457556 WKRAPRGIYQLWTN-RTBURBONSA-N 353.506 5.380 0 40 FKAB c1coc(-c2oncc2CN2CCc3sccc3[C@@H]2c2cccs2)c1 89797916 GAJLFUIMJNJDBF-GOSISDBHSA-N 368.483 5.205 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](Cc1ccccc1)c1ccccc1 103212416 XWATVSSARMZAFX-OTUUDDROSA-N 364.529 6.017 0 40 FKAB biogenic Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 222575651 JAAIQMKWGYXYJA-UHFFFAOYSA-N 359.513 6.024 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)c1 225376656 MMUSCYBJUVCGAV-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C(C)C)cc1 225677048 ITNNAZWVDGHNEJ-IBGZPJMESA-N 368.546 5.707 0 40 FKAB Clc1ccc(C2=N[C@@H]3SC(c4ccc(Cl)cc4)=N[C@H]3S2)cc1 226757329 PTLPAFCOKOUSQS-IYBDPMFKSA-N 365.310 5.333 0 40 FKAB Cc1cccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 409111173 BJAQEMZYILHSHG-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 727759 CWNUGWZVPYXMGY-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB CCCCOC(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 2534666 OAFCTLDVDKBLHK-UHFFFAOYSA-N 354.446 5.160 0 40 FKAB CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1 2557597 NZGLGROIPPFFSP-UHFFFAOYSA-N 350.485 5.919 0 40 FKAB Cc1ccc(C)c(NC(=S)Nc2ccc(Br)cc2F)c1 2662377 SUTRIFXUUWMYHQ-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)Nc3cc(F)c(F)cc3Cl)cc2)cc1 3092282 RNNQKKQNHBCZQK-UHFFFAOYSA-N 373.786 6.205 0 40 FKAB CCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccccc4nc23)cc1 3172531 FTVPXIDUOHVTJU-UHFFFAOYSA-N 367.452 5.652 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)cc1 3664237 LTVOSOSZZONGTA-FQEVSTJZSA-N 364.832 5.120 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4615453 NSBCLBJOPZCTKX-KRWDZBQOSA-N 371.480 6.527 0 40 FKAB Cc1cccc2c1[N+](C)=C(/C=C\c1cc(C)c3cccnc3c1O)C2(C)C 4824036 OEVCEUGMDHKWCQ-UHFFFAOYSA-O 357.477 5.277 0 40 FKAB Cn1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 5265822 SRUGVISLTZIYFJ-UHFFFAOYSA-N 357.413 5.615 0 40 FKAB O=C(Oc1ccccc1)/C(=C\c1nc2ccccc2s1)c1ccccc1 5680178 VUCJJBUJPCINRW-SDXDJHTJSA-N 357.434 5.443 0 40 FKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 6597688 OFEIXIYZLKPHBQ-GHTZIAJQSA-N 373.481 5.304 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CNCCc2c[nH]c3ccccc23)o1 7539225 WQHIRURMHHGWCR-UHFFFAOYSA-N 364.876 5.722 0 40 FKAB C/C(=C\c1ccccc1)[C@H]1N[C@@H](c2nc(C)cs2)Cc2ccsc21 12337988 CNTUHEXIGULSNV-NQNZFTEYSA-N 352.528 5.545 0 40 FKAB Cc1ccccc1OCCCCn1c(-c2cccs2)nc2ccccc21 12463131 FNWKGMANMFVXSL-UHFFFAOYSA-N 362.498 5.932 0 40 FKAB Cc1noc(C)c1CCC(=O)Nc1cc(-c2ccccc2)nc2ccccc12 12545144 XDTRPLCXJNPXPY-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB COc1cccc(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 12757400 XOJGBDOFCPLLPF-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB COc1ccc(Cn2nc(-c3ccccc3C)cc2-c2ccccc2C)cc1 13960651 AGBDHVSYGNHEJC-UHFFFAOYSA-N 368.480 5.891 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 14269006 HOHHMKWMDQDKKA-QGZVFWFLSA-N 352.478 5.105 0 40 FKAB CCc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1 21364394 JFZUVDRMCLUSHT-UHFFFAOYSA-N 360.280 5.274 0 40 FKAB CCCc1nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2s1 22254843 LCIANOOXMGTOHX-UHFFFAOYSA-N 360.866 5.163 0 40 FKAB c1ccc2c(c1)OCC[C@@H]2Nc1nc(-c2ccsc2)nc2ccccc12 24925327 ROANYMUWCSNIII-SFHVURJKSA-N 359.454 5.294 0 40 FKAB COc1cc(CCc2ccccc2)cc(O)c1C/C=C(\C)CCC=C(C)C 31169794 ZDSBUUDXDQSCSK-DEDYPNTBSA-N 364.529 6.421 0 40 FKAB biogenic,in-vitro CCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)c2cccnc12 32622594 YMLQGODACLJIEG-UHFFFAOYSA-N 374.440 5.503 0 40 FKAB FC(F)n1c(SCc2coc(-c3ccccc3)n2)nc2ccccc21 48235097 AMKUTJXADRKTBU-UHFFFAOYSA-N 357.385 5.379 0 40 FKAB Cc1c(F)cccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 71326040 UHUJXSNDHPWHRF-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(Br)cc1 90413403 MKEUJYLWUDYPAQ-UHFFFAOYSA-N 362.267 5.391 0 40 FKAB in-vitro Cc1cc2c(cc1C)N(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCC1=N2 101945932 JYWHXBARCCRVRQ-AWEZNQCLSA-N 370.855 5.515 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCCCc1ccc(C(C)C)cc1 219660227 OTDBGPYPBYXUDR-UHFFFAOYSA-N 355.547 5.673 0 40 FKAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223663256 TZMQPRVOMWDPPU-UHFFFAOYSA-N 373.518 5.023 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225826139 ALIJVTOCMYQYBP-GAJHUEQPSA-N 371.521 5.941 0 40 FKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(Cl)cc2C)n1 225917701 DPSKJWNWDPKSRE-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccccc1 408561921 LPUPFNZISMAMGE-LNVKXUELSA-N 368.477 5.069 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 408619474 CHBJQPSLCLRIRM-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 409198347 DJBNRNWTJFTAIM-XDOYNYLZSA-N 370.905 5.073 0 40 FKAB Cc1cc2ncn([C@@H](CC(=O)c3ccccc3)C3=CCCC=C3)c2cc1C 1772491144 HKAKYIWPAMXEPC-QFIPXVFZSA-N 356.469 5.744 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Oc3ccc(Cl)cc3)sc2c1 676629 JFJXKSNDKONTCU-UHFFFAOYSA-N 353.226 5.436 0 40 FKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 683083 BROGWVFHJOMCRA-NSHDSACASA-N 357.759 5.073 0 40 FKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 706350 UCLSRUFXHQSWMM-RADKVMJMSA-N 373.883 5.822 0 40 FKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1Cl 993839 HXSLSXMJMMUWHM-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Nc1c(-c2ccccc2)c(Cc2ccccc2)nc2sc3c(c12)CCCC3 2363344 LKWAFNMKOSXJAG-UHFFFAOYSA-N 370.521 6.015 0 40 FKAB Cc1sc2ncnc(SCCCC(=O)c3ccc(F)cc3)c2c1C 2618055 DQOJQCMWYDXHQR-UHFFFAOYSA-N 360.479 5.202 0 40 FKAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)Nc1cccc2ccccc12 3114995 KIUYPOBLYDITPI-UHFFFAOYSA-N 352.262 5.179 0 40 FKAB CCc1nc2ccccc2c(C(=O)OCc2ccc(Cl)cc2Cl)c1C 3319075 PWKJXJYMYPGMOO-UHFFFAOYSA-N 374.267 5.769 0 40 FKAB Cc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 4607163 VMOVYTLLFLVVNP-UHFFFAOYSA-N 368.436 5.273 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)cc1 4678587 IEXPKLDVFVLZFC-UHFFFAOYSA-N 366.262 5.078 0 40 FKAB c1ccc([C@H]2C3=C(CCCC3)N3c4ccccc4N[C@@]34CCCC[C@@H]24)cc1 4732956 NMMJJAVXQBYOHO-OPXMRZJTSA-N 356.513 6.431 0 40 FKAB COc1cccc(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1 5204288 XXODYKJMXIAUSM-HXUWFJFHSA-N 367.445 5.306 0 40 FKAB COc1ccc([C@H](CCNCc2ccccc2F)c2ccc(F)cc2)cc1 5477771 KQVIYHJSXGPHKZ-JOCHJYFZSA-N 367.439 5.285 0 40 FKAB COc1ccc2cc(-c3cc(-c4ccccc4)c4ccccc4n3)ccc2c1 7847126 CXDBGWDYLJMEJQ-UHFFFAOYSA-N 361.444 6.731 0 40 FKAB Cc1nn(-c2nc(-c3ccc(Cl)cc3)c(Cl)s2)c(C)c1Cl 8782161 VZFJVOCGVYSXFW-UHFFFAOYSA-N 358.681 5.573 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1SC(F)F 12643429 XNVCPUAQMRGDEF-UHFFFAOYSA-N 362.445 5.244 0 40 FKAB Cc1nc(COc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cs1 13000602 ZLSRYZYANZMIFV-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1Cc1ccc(F)cc1 13942303 IYEOMBUVWPWIGM-QFIPXVFZSA-N 356.400 5.052 0 40 FKAB Clc1ccc(-c2noc(COc3ccc(C4CCCCC4)cc3)n2)cc1 15230386 ZKNOTXIVEKTZFO-UHFFFAOYSA-N 368.864 6.017 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2OC(C)C)s1 15840185 IVOQLLYMQKQEJG-UHFFFAOYSA-N 372.515 5.148 0 40 FKAB CC(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@H]2[C@H]1c1cccs1 17111680 GAMINHVCFGHOCG-YAMWDKFFSA-N 356.516 5.199 0 40 FKAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 17369126 XDCMIWLUKXJSOO-KRWDZBQOSA-N 355.437 5.442 0 40 FKAB Cc1csc([C@@H](Cc2cccs2)NCc2cccc3ncccc23)n1 19240099 LHUJGGVAIZDBLI-LJQANCHMSA-N 365.527 5.135 0 40 FKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2)cc1 20138867 JWQOZVZTHJFGFD-UHFFFAOYSA-N 369.420 5.358 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 20451748 BCZREDWVXKKKMO-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB C[C@H](NCc1c(-c2ccccc2)nc2ccccn12)c1ccccc1Cl 24969786 SUITZTLUSMIZRI-INIZCTEOSA-N 361.876 5.506 0 40 FKAB CC(C)C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 30857708 KEBKMWJCPFNZJR-RUZDIDTESA-N 371.524 6.112 0 40 FKAB COc1ccccc1Nc1c(-c2cccc(O)c2)nc2ccc(Cl)cn12 35616024 YCNPZUVHGHIJMD-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)c1 46914288 UAYAGOFWVAGKII-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB CCc1ccc(-c2nc(CN[C@](C)(CC)c3nc(C)cs3)cs2)cc1 72305289 MNMVSZFBQDCTJX-HXUWFJFHSA-N 371.575 5.552 0 40 FKAB CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 85430318 JMUTXESOAZLSHB-FOIQADDNSA-N 362.473 5.306 0 40 FKAB COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 89904536 GABUWDRYKMYKBX-VOJFVSQTSA-N 365.304 5.312 0 40 FKAB C[C@H]1C[C@@H]1c1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)o1 96947982 JREMBPQYEKFAAR-QXSDLWRESA-N 367.470 5.300 0 40 FKAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(C(C)C)cc1 102387391 STBLTWUSRVOZSV-UHFFFAOYSA-N 363.509 5.004 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(C(c3ccccc3)c3ccccc3)oc12 226246674 AHMRIVWWNSZCRM-UHFFFAOYSA-N 364.448 6.107 0 40 FKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cccc(C)c3)nc2c1 226282000 REWKUKMSKIGTDM-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB Cc1cc2nc(-c3cccc(N4Cc5ccccc5C4=O)c3)oc2cc1C 226287318 KENWXSRKNQNERO-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327043 NJGICFLDCVPXHN-UHFFFAOYSA-N 359.636 5.403 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)nn2)cc1C 408526870 BXRNXMNASGQLDB-UHFFFAOYSA-N 373.239 5.286 0 40 FKAB COc1cc(C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C)cc1 408551455 CUNVWOCJEKGJLB-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1F 408562742 RXDOOULLGPPDQS-LNVKXUELSA-N 368.477 5.042 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)c1 408993927 DUAISZKRIPTSND-GPXNEJASSA-N 369.464 5.473 0 40 FKAB CC(=O)Oc1cc(-c2ccc(OC(C)=O)c3ccccc23)c2ccccc2c1 584577824 OVJHVFPGAGZMKN-UHFFFAOYSA-N 370.404 5.511 0 40 FKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 849051 KRLOYLXVFUMBJI-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB Cc1ccc(NCc2nnc(SCc3cc(C)ccc3C)o2)c(C)c1 905474 WEZQJWARWMKDSQ-UHFFFAOYSA-N 353.491 5.208 0 40 FKAB CCCCCc1ccc(-c2coc3c(C)c4oc(=O)c(C)c(C)c4cc23)cc1 2110205 OQXQWLDAXYDCHV-UHFFFAOYSA-N 374.480 6.864 0 40 FKAB biogenic Cc1ccc(-n2ncc3c(SCc4ccccc4Cl)ncnc32)cc1 2201615 HQOZNNMBVPRMBF-UHFFFAOYSA-N 366.877 5.070 0 40 FKAB CCc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 3327578 KQVJLWZMLDVQTK-QWHCGFSZSA-N 366.288 5.201 0 40 FKAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 3360355 MSFCCQIQOIKSEC-UHFFFAOYSA-N 358.437 5.319 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Cl 3387811 AGBDOPORALZFOH-UONOGXRCSA-N 359.853 5.038 0 40 FKAB CSc1ccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)cc1 3909911 BAPURZJISUOWOH-UHFFFAOYSA-N 351.519 5.776 0 40 FKAB CSc1nc(Sc2cc(Cl)ccc2Cl)c2ccccc2n1 4013783 IAEDPELHWMKQGQ-UHFFFAOYSA-N 353.299 5.810 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(OC(C)C)c1 4107506 JOQBIVGLDKRUSV-UHFFFAOYSA-N 370.836 5.343 0 40 FKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(C(C)=O)c(C(C)C)cc3CC[C@H]21 4403846 HFNSWUWOTLFFOE-YMPZKCBVSA-N 356.506 5.196 0 40 FKAB CCCCCCC(=O)c1cc(CCCCCC)c(OCCCC)cc1O 5418480 UDCAIAGKRIHAMW-UHFFFAOYSA-N 362.554 6.847 0 40 FKAB O=C(c1ccccc1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 6257876 MJPLYTFHZUPQLW-UHFFFAOYSA-N 363.819 5.713 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccc(SC(F)F)cc2)cc1 7779162 YAPURUQCNALTTL-UHFFFAOYSA-N 351.418 5.107 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](CC(C)C)c1ccccc1 12852203 CZXDXSMJNDULAZ-GOSISDBHSA-N 365.502 5.031 0 40 FKAB CCn1c(SCc2cccc(C)c2)nnc1[C@@H](C)Oc1ccccc1 13849834 XMLOXXYJTUWGTJ-MRXNPFEDSA-N 353.491 5.039 0 40 FKAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(sc3c2CCCC3)N1 15085032 NJBCIUNOCNOJNZ-CYBMUJFWSA-N 351.393 5.120 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1ccc(Cl)cc1Cl 15490477 QSKACDQKHDPDRH-CYBMUJFWSA-N 368.329 5.871 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C(C)(C)C)cc2)s1 15840156 FEEYSUGNCRGPEZ-UHFFFAOYSA-N 370.543 5.659 0 40 FKAB c1ccc(COc2cccc(CNCCc3c[nH]c4ccccc34)c2)cc1 16480708 MBVAVCQAKZNOGF-UHFFFAOYSA-N 356.469 5.079 0 40 FKAB O=C1CCCc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1ccccc1 17076059 SRSJORHVIILORK-UHFFFAOYSA-N 371.362 5.154 0 40 FKAB CCSc1ccccc1NC(=O)CSCc1c(F)cccc1Cl 20494815 JQTYZJAIHTZEJG-UHFFFAOYSA-N 369.914 5.463 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 22526795 MWHUNKXORCDLCP-SFHVURJKSA-N 365.901 5.099 0 40 FKAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1 32962868 FNVSGXYZFOYNEL-NVXWUHKLSA-N 360.379 5.172 0 40 FKAB Cc1cc(C)cc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc23)c1 44168062 AOUOSVLZAGWLBR-UHFFFAOYSA-N 373.500 5.530 0 40 FKAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccc4Cl)no3)[nH]n2)c1 46914274 NLPGRMRZTBVEOD-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB Fc1ccc(-c2csc(Nc3cccc(Br)c3)n2)c(F)c1 67321974 IZCRRZBEPKZVDG-UHFFFAOYSA-N 367.218 5.594 0 40 FKAB C/C(=C\c1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193962 MUEQYQNHIZQQPZ-ACCUITESSA-N 358.426 5.160 0 40 FKAB CCOc1cccc2cc([C@H](C)N[C@@H](C)c3cn(C(C)(C)C)nc3C)oc12 97016451 SXBPMYYZBACFJY-HOCLYGCPSA-N 369.509 5.503 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 102889138 MDVCDYXXKUQJNF-CDXJDZJCSA-N 359.941 5.483 0 40 FKAB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 118916100 JHTFPRFKUMCPIU-CNSQQMAQSA-N 368.565 5.207 0 40 FKAB Cc1ccccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215149105 GKDZMUXNLYQHPC-CXUHLZMHSA-N 361.825 5.024 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 225502803 GAMUNCXDLJKJSY-HSZRJFAPSA-N 374.553 6.194 0 40 FKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)cc1 225663367 QNDOTKAEYWFXLH-FQEVSTJZSA-N 355.478 5.017 0 40 FKAB CCc1ccc2oc(-c3cccc(-c4nc5cc(CC)ccc5o4)c3)nc2c1 226237318 LFDDIALTRXBNFH-UHFFFAOYSA-N 368.436 6.428 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)c(Cl)c1 226271597 HUSNHQALFFPSNP-UHFFFAOYSA-N 368.742 5.266 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 226333554 MSLRJSCPYNQFKI-QKQOXNHBSA-N 353.849 5.335 0 40 FKAB Oc1nc(-c2cccc(OCc3ccccc3Cl)c2)nc2ccccc12 575410915 MANAGUQULHTCBD-UHFFFAOYSA-N 362.816 5.235 0 40 FKAB Cc1oc2cc(O[C@@H](C)c3ccccc3)ccc2c(=O)c1Oc1ccccc1 842834 WFTBZTZSMJCIMV-INIZCTEOSA-N 372.420 6.034 0 40 FKAB Fc1ccc(CSc2ncc(-c3cccc(C(F)(F)F)c3)cn2)cc1 1400833 GKTLKSVVWDWZJW-UHFFFAOYSA-N 364.367 5.594 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4ccccc4F)c23)cc1 2378217 NDZMLEIPZDXRAY-UHFFFAOYSA-N 366.486 6.098 0 40 FKAB CCc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2418313 JTUQUAJBTFSDNU-UHFFFAOYSA-N 356.454 5.260 0 40 FKAB Cc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3ccccc32)cc1 2688452 KTSTYTPSCTYBQJ-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Cl)s1 3194036 FBNAPMWZNOFLFK-UHFFFAOYSA-N 360.847 5.524 0 40 FKAB Cc1ccccc1OCCCn1cc(C(=O)c2ccccc2)c2ccccc21 3648884 KMPMBWZOTXYLSO-UHFFFAOYSA-N 369.464 5.650 0 40 FKAB CCn1c(SCCCF)nnc1-c1cc2cc3ccccc3nc2s1 4053807 ZNVCTRUZMSOLBG-UHFFFAOYSA-N 372.494 5.180 0 40 FKAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)c2oc3ccccc3c2n1 5163185 XOKODSXQBRUDRO-UHFFFAOYSA-N 368.845 5.313 0 40 FKAB COc1ccc(/C=C/c2ccc3ccccc3n2)cc1OCc1ccccc1 5689743 YUBIWAZIOBMPLZ-SDNWHVSQSA-N 367.448 5.993 0 40 FKAB Cc1ccc(CN2C(=O)C3=C(CCCC3)[C@H]2c2c(C)n(C)c3ccccc23)o1 6079450 RWEONZLNRSTDON-QHCPKHFHSA-N 374.484 5.342 0 40 FKAB Cc1cc(OCCCn2cc(C(=O)C(C)C)c3ccccc32)ccc1Cl 6415101 NLOVKPRALCCFQJ-UHFFFAOYSA-N 369.892 5.911 0 40 FKAB CCc1cccc2c(C(=O)[C@@H](Sc3ncccn3)c3ccccc3)c[nH]c12 6913336 LHVCVKGXEZIKBF-NRFANRHFSA-N 373.481 5.237 0 40 FKAB O=C(Nc1nc(-c2cccnc2)cs1)c1sc2ccccc2c1Cl 6969292 HFHKFMDMUXZDPC-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB S=C(NCc1cccs1)Nc1ccccc1Sc1ccccc1 7985077 CUHUUJUULFZEDK-UHFFFAOYSA-N 356.541 5.386 0 40 FKAB CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(-c2ccccc2)cc1 8270446 FIUPPWQSEPTOFW-UHFFFAOYSA-N 355.890 5.270 0 40 FKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)C)c3)nc2c1 9141078 QGXNNIFONWMHJR-UHFFFAOYSA-N 356.853 5.695 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 9142033 YTJWDQHLSBFDML-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(C)c1 9252432 BRXGWGWRZYCEPZ-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1Br 9592448 WHHMCIYAAKVGKE-UHFFFAOYSA-N 374.278 5.202 0 40 FKAB O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nc3cccnc3s2)c1 11694524 FDTFZWOCLXQGHA-UHFFFAOYSA-N 364.405 5.141 0 40 FKAB Cc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)c2ccccn2)cc1 11914869 LBHVMBRWSLNFKK-UHFFFAOYSA-N 360.457 5.024 0 40 FKAB CC[C@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(Cl)cc1 12811991 RHVZOMMFGYWNOV-SFHVURJKSA-N 368.864 5.113 0 40 FKAB Cc1cc(C)cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 13364404 FJFMICZASQXJBC-OAQYLSRUSA-N 373.431 5.694 0 40 FKAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)oc12 13668899 LLOPDAFELWUDNB-CQSZACIVSA-N 351.446 5.230 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 13709363 GFRYIFXHVJKMRC-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(OC(C)C)c1 20048041 BVBAZKFPLCIYAJ-NRFANRHFSA-N 363.457 5.423 0 40 FKAB O=C(/C=C/c1ccccc1Cl)NCCSCc1ccc(Cl)cc1 20240056 ANQKSHFAIMFCCY-JXMROGBWSA-N 366.313 5.056 0 40 FKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)cc1F 24455338 PPEOZMAGWJATQO-JTQLQIEISA-N 370.649 5.075 0 40 FKAB CCOc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)c(C)c2)o1 33027708 SBTUSEOEVUBLKE-UHFFFAOYSA-N 363.457 5.533 0 40 FKAB O=C1C[C@H](c2ccc(Cl)cc2)c2snc(-c3cccc(F)c3)c2N1 35324502 RUSASLBXFXPRNC-CQSZACIVSA-N 358.825 5.077 0 40 FKAB CC1(C)COC(CCCC(=O)c2ccc(Oc3ccccc3)cc2)OC1 43214500 YWMRUYDXLSSTST-UHFFFAOYSA-N 354.446 5.231 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c(Cl)c1 44838268 DPLQHIRZUMFEAG-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Fc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)cc1 59409104 HXOOUNXOICAIQD-NRFANRHFSA-N 364.445 5.102 0 40 FKAB Fc1ccccc1CNC[C@H](c1cccs1)c1c[nH]c2ccccc12 60829596 MNQAKYBMDYFJEE-SFHVURJKSA-N 350.462 5.290 0 40 FKAB CC(C)(C)Sc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72217398 WEWSHRYJABKLHX-GOSISDBHSA-N 354.519 5.340 0 40 FKAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc2cc[nH]c2c1)C1CC1 95364788 MWDLTVLIKQFCBB-CYBMUJFWSA-N 372.390 5.553 0 40 FKAB CC(C)n1c(C(=O)NC2CCCCCC2)cc2c1c1ccccc1n2C 96037279 BKOCVNUIZMQWNN-UHFFFAOYSA-N 351.494 5.167 0 40 FKAB O=C(Nc1ccccc1SC(F)F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102345366 RBLZJMFSRQFNPN-SKLAPFLYSA-N 371.880 5.518 0 40 FKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1Cl 214086783 IYZNWEHVUKYGOO-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 216121197 UCAMTVWENPZTGJ-UYAOXDASSA-N 364.533 5.026 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccccc1Cl 222686889 BZVQNLXGZJOKMX-UHFFFAOYSA-N 354.302 5.182 0 40 FKAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc(C)c1Cl 222956417 QFOYAMVSQCBBDW-MRXNPFEDSA-N 371.908 5.092 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1cc(C)ccc1C 223898096 FPUQVVKYHBFLOQ-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB CC(C)Oc1cccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225334624 KTEYNWVUTSRYRH-UHFFFAOYSA-N 366.288 5.030 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1cc(C)cc(C)c1 225624329 QDSYZWJMNPJNPW-UHFFFAOYSA-N 356.535 5.011 0 40 FKAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C(F)(F)F 225831186 OSDBLCKBQWWOHA-SCLBCKFNSA-N 373.415 5.028 0 40 FKAB FC(F)(F)c1cccc(C2(NC(=S)Nc3ccccc3)CCCC2)c1 225840126 UZNQEFMODSNKIZ-UHFFFAOYSA-N 364.436 5.461 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c2cccnc12 225899727 RLYJNSBETYOGRM-UHFFFAOYSA-N 370.493 5.092 0 40 FKAB Cc1cc2nc(C3=CCN(Cc4ccc(F)cc4Cl)CC3)oc2cc1C 226307834 XUKRMOMMKZDLON-UHFFFAOYSA-N 370.855 5.526 0 40 FKAB C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)C1 226357989 STNOHSOGHQPZAB-DNVCBOLYSA-N 362.425 5.196 0 40 FKAB Cc1cccc(CSCCNC(=O)c2ccccc2SC(C)C)c1 408678980 LRONUJMKVWGUSQ-UHFFFAOYSA-N 359.560 5.159 0 40 FKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1 408703644 VLZNXYYGHKZIGL-QFIPXVFZSA-N 361.441 5.158 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1C 409117868 RHISKDXHGXNRNL-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB O=C(NCc1ccc(-c2ccco2)o1)NC(c1ccccc1)c1ccccc1 575610471 NPGCGPGALMZWLI-UHFFFAOYSA-N 372.424 5.128 0 40 FKAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(C2CCCCC2)CC1 2037976938 RZJUEAWRUSMZQO-WEYGHZABSA-N 355.522 5.103 0 40 FKAB c1ccc(-c2ccccc2Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1 2113474306 SSJOYBQDBSEDOB-UHFFFAOYSA-N 371.483 7.917 0 40 FKAB CCOc1ccc2nc(SCC(=O)c3ccc(F)cc3)c(C)cc2c1 875742 PRLZCHVKVRASDS-UHFFFAOYSA-N 355.434 5.056 0 40 FKAB O=C(C1CCCCC1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882142 CXCUCUGFQMLTKG-UHFFFAOYSA-N 366.486 5.517 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O 1328110 LTVXQCRGKKAQHN-UHFFFAOYSA-N 365.816 5.266 0 40 FKAB COc1ccccc1-c1nc(-c2ccccc2)cn2c1c(C)c1ccccc12 1884013 CLYAYSPEJMLTPA-UHFFFAOYSA-N 364.448 6.139 0 40 FKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(Sc3ccccc3)nc2n1 3041464 AZIGJRPFWKWCSS-UHFFFAOYSA-N 374.309 5.819 0 40 FKAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 3059452 MZSCTLHKDZMUHZ-ZIAGYGMSSA-N 368.912 5.149 0 40 FKAB CCOP(=O)(OCC)[C@@](C)(CC(C)C)NC(=O)Nc1ccc(C)cc1 3114449 AUVKHJXTEMEBQE-SFHVURJKSA-N 370.430 5.145 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3198668 SCKITHFBZAOYKO-UHFFFAOYSA-N 352.604 5.560 0 40 FKAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)ccc1O 3911567 VVJIUBMKLYJQOK-UHFFFAOYSA-N 359.429 5.076 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(C(F)(F)F)c1 4071745 HIERCXFTGRBDCW-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 4854146 IHAVNXPAJQLGBW-AZUAARDMSA-N 356.853 5.018 0 40 FKAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5455103 CUQXBPPKTXCGKG-RBBKRZOGSA-N 357.432 5.630 0 40 FKAB Cc1ccc(OCc2coc(-c3cccs3)n2)c(Br)c1 6127373 GZZRPPQKJCZJKG-UHFFFAOYSA-N 350.237 5.053 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 6609214 WKRKRQSJVAIQHQ-UHFFFAOYSA-N 372.902 6.034 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 6970194 CCGKYTWMXCNPGY-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB CCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 7261733 GODFWITVOIWCSP-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB Cc1cc(-c2csc(-c3ccccn3)n2)c(C)n1Cc1cccs1 7845276 OFVIAVUICDBKTN-UHFFFAOYSA-N 351.500 5.400 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 8041148 FDOLXVYXZKDGJI-JOCHJYFZSA-N 359.469 5.058 0 40 FKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCC(C)CC1 8572555 IPOYHBRDMWNAHO-UHFFFAOYSA-N 362.473 5.273 0 40 FKAB O=C(c1cccc2ccccc12)N1CCC(c2nc3ccccc3s2)CC1 11916669 KWUFIGVYXKVOPQ-UHFFFAOYSA-N 372.493 5.469 0 40 FKAB C[C@H](SC1=Nc2ccccc2CS1)c1nnc(-c2ccccc2)o1 14014479 LXTDRADWPLEDCX-LBPRGKRZSA-N 353.472 5.465 0 40 FKAB O=C(NCCc1c[nH]c2ccccc12)c1sc2cc(F)ccc2c1Cl 17295680 WKHXXYHXWYNEDN-UHFFFAOYSA-N 372.852 5.148 0 40 FKAB Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4Cl)CC3)o2)s1 19217860 CSKLGBVAEYNFOV-UHFFFAOYSA-N 373.909 5.140 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1Cc1ccccc1 25518906 MCWJWCZZLWQAGQ-MRXNPFEDSA-N 368.527 5.027 0 40 FKAB COc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)c1 27664557 ZZLDHQQXBIOMGS-UHFFFAOYSA-N 360.457 5.061 0 40 FKAB Clc1ccccc1Cn1cc(CNCc2ccco2)c2ccccc21 28428352 HTEVJTATXLUPTE-UHFFFAOYSA-N 350.849 5.226 0 40 FKAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(Cl)cc1 40891730 SJOZBLXFYQACDD-FQEVSTJZSA-N 368.816 5.207 0 40 FKAB CC1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1 45900757 QJOVDLHJTANZCE-UHFFFAOYSA-N 353.853 5.312 0 40 FKAB Cc1ccc(CN(C(=O)Nc2cc(C)on2)[C@@H]2CCc3ccccc32)cc1 58393974 ZHBCYBQPXSAXKI-HXUWFJFHSA-N 361.445 5.013 0 40 FKAB O=[S@@](CCSc1nc2ccccc2o1)c1cc(Cl)ccc1Cl 95357332 KIMIOMRIAZZQPO-JOCHJYFZSA-N 372.298 5.035 0 40 FKAB Cc1cc2c(cc1C)N(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCC1=N2 101945928 JYWHXBARCCRVRQ-CQSZACIVSA-N 370.855 5.515 0 40 FKAB COc1ccccc1[C@H]1Sc2ccccc2N=C2C[C@@H](C)CC(O)=C21 102674818 BUPLWERNDNVRSI-LRTDBIEQSA-N 351.471 5.857 0 40 FKAB Cc1cccc(-c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2N)c1 225178602 SSXFIWRSKFNHOH-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 225332082 CILSGDVZNDLVJJ-SFHVURJKSA-N 350.289 5.502 0 40 FKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1Cl 408561918 LPMUCOJSKFODEK-XDOYNYLZSA-N 370.905 5.248 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC 408625577 XNTAQXVETQGTKD-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB Cc1cccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)c1 409111203 BMGGTBLABGWKEN-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB Cc1cc(C(F)(F)F)nc(SCc2ccc(Cl)cc2Cl)n1 409387045 ZBGMQMPOFBPTDD-UHFFFAOYSA-N 353.196 5.403 0 40 FKAB Cc1oc2ccc(OCc3cccc(Cl)c3)cc2c1C(=O)OC(C)C 639078 XUMYRZCTTRUHBA-UHFFFAOYSA-N 358.821 5.539 0 40 FKAB biogenic COc1ccc2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc2c1 846077 RANYZPFBYNSAFG-UHFFFAOYSA-N 369.829 5.246 0 40 FKAB CC(C)CCNc1c(-c2ccc(N(C)C)cc2)nc2ccc(Cl)cn12 888772 PBFSBBFCLYJOKT-UHFFFAOYSA-N 356.901 5.179 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 903399 FPLXPNIQCVOVEA-UHFFFAOYSA-N 354.450 5.499 0 40 FKAB CCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1815652 ZWKQTPZEGCAZDI-UHFFFAOYSA-N 371.575 5.819 0 40 FKAB CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc3ccccc3c21 1848282 GJHLOEMEKKLWNC-UHFFFAOYSA-N 368.933 6.048 0 40 FKAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc3ccccc3c2)cc1 2240733 VNKUEJLYNBMWFC-UHFFFAOYSA-N 362.432 5.514 0 40 FKAB ClC1(Cl)C(Cl)(Cl)C12CC2(c1ccccc1)c1ccccc1 2344544 YLXGBEPTXITPJF-UHFFFAOYSA-N 358.095 5.724 0 40 FKAB Cc1nn2cc(-c3ccccc3)cc2c2c(C)n(C3CCCCC3)c(C)c12 2428831 LNGSXSZINMEZOQ-UHFFFAOYSA-N 357.501 6.386 0 40 FKAB Fc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 2914974 HHEHXCXJKKFDMR-NRFANRHFSA-N 359.379 5.371 0 40 FKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1Cl 2961512 HNJWSUVSVUMIIK-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB O=C(Nc1ccccc1)c1csc(-c2ccccc2)c1Cc1ccccc1 3010351 WTUSVXRUYHXQQB-UHFFFAOYSA-N 369.489 6.258 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2cc(Cl)ccc2o1 3375744 IKFGUJLNXKJPNV-UHFFFAOYSA-N 359.922 6.688 0 40 FKAB S=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCCC1 3644746 GXKFNUYDYOWMKT-UHFFFAOYSA-N 368.933 5.504 0 40 FKAB Cc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1 3894919 GONQLHXKPWSOKM-UHFFFAOYSA-N 371.484 5.344 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(OC)cc2)(CCC(C)C)CCO1 4073134 PGHBRKUZBUZSHJ-XZOQPEGZSA-N 361.570 5.577 0 40 FKAB biogenic Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3cccs3)cc12 4340728 ADDKZUNGMRKWGR-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB biogenic Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2ncc(-c3ccccc3)c2n1 5305720 JRYXPXKAGSJDRZ-UHFFFAOYSA-N 369.255 5.755 0 40 FKAB O=c1c(-c2ccccc2)c(O)[nH]c2ccc(Oc3ccc(Cl)cc3)cc12 5888653 BYTNSCACYXHZAG-UHFFFAOYSA-N 363.800 5.346 0 40 FKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 6284649 KCFMRGPZPJJFNM-UHFFFAOYSA-N 356.252 5.590 0 40 FKAB O=C(N/C=C/c1ccc(Cl)cc1Cl)OCc1ccc(Cl)cc1 6926342 ZBOCLHXOQPAXDK-BQYQJAHWSA-N 356.636 5.544 0 40 FKAB Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2)cc1 7537976 OEBYLVPGJSYYLO-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB C[C@H](NCc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 8534262 KFJOINXICPZUDH-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 9910804 NBLBDWCYTSEEMF-UHFFFAOYSA-N 374.720 6.158 0 40 FKAB Cc1ccc(C)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 15016757 CJKCUQWDOVKXGB-KNQAVFIVSA-N 360.482 5.607 0 40 FKAB COc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 16842621 QLFJDYHUNMATCA-UHFFFAOYSA-N 374.465 5.467 0 40 FKAB CC(C)Oc1ccc(/C=C\C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 17075491 YRDBMRYKRPEUAK-KRZRSHAKSA-N 367.533 5.208 0 40 FKAB Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1 20509736 OVAWFCVAQUXBFC-LJQANCHMSA-N 363.367 5.216 0 40 FKAB CCc1ccccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237697 OEXNXAOTBKHACU-UHFFFAOYSA-N 351.475 5.034 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)N3CCCC3)c2c1 27977277 ULEVBTWOKBPBSJ-UHFFFAOYSA-N 356.878 5.161 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 38772574 BOFMNCCDDVWEEB-CYBMUJFWSA-N 366.288 5.201 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 58839973 RRFNTZXMEAZUML-LLVKDONJSA-N 357.759 5.073 0 40 FKAB Clc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4)o3)nc2c1 85345315 KJYFVDDONPORNC-UHFFFAOYSA-N 373.637 5.906 0 40 FKAB O=C(NCc1ccccc1-c1ccsc1)C12CC3CC(CC(C3)C1)C2 96122893 WVYGPEHXFDYCBK-UHFFFAOYSA-N 351.515 5.248 0 40 FKAB CC[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)c(C)c1 218987923 UQWPULMWKWSIKI-QHCPKHFHSA-N 373.496 5.764 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccccc2Cl)cc1 220017772 ZTLHEDKLCOQVOB-FQEVSTJZSA-N 359.897 5.185 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SC)cc1C(C)C 223273589 DPUCUFDMYXIKJC-OAHLLOKOSA-N 357.519 5.340 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1C 225339182 QEHUZGYDTUREFZ-SFHVURJKSA-N 350.289 5.502 0 40 FKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)c(C)c1 225667869 KVFIEXRDKUKOLD-OAQYLSRUSA-N 353.506 5.625 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)c1 225697597 VAHIWFQUJUGUIX-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225841472 MJQZZLDJPYNLQB-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 408621925 MNANQHHNIKKLFB-UHFFFAOYSA-N 368.569 5.918 0 40 FKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1Cl 409018071 XFUCINUCEZLCCB-ATARQRRYSA-N 367.898 5.352 0 40 FKAB CCOc1ccccc1C(=O)Oc1ccc(Sc2ccc(O)cc2)cc1 1017130 HOESWCQLUOVMGQ-UHFFFAOYSA-N 366.438 5.161 0 40 FKAB Cn1c2ccccc2c2cc([C@H]3NCCc4c3[nH]c3ccccc43)ccc21 2157368 GUAKGRVMBBQTAZ-HSZRJFAPSA-N 351.453 5.048 0 40 FKAB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3215272 AWKKCGGROCIRTA-UHFFFAOYSA-N 373.537 5.146 0 40 FKAB Cc1cc(C)cc(C2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O2)c1 3851937 YSMOMQBUMPOLDC-UHFFFAOYSA-N 364.055 6.387 0 40 FKAB biogenic CCO[P@@](=O)(/C=C(\Cl)c1ccccc1)[C@@H](O)c1ccc(F)cc1 4897833 RLQQPABUYWLQBH-JBLMXEMSSA-N 354.745 5.369 0 40 FKAB CCCN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 6654751 FJQZSZPZLTVZJA-LGMDPLHJSA-N 355.484 5.284 0 40 FKAB COc1cccc(CSC2=NC3(CCCCC3)Nc3ccccc32)c1 8023505 SIZKXLRRLYRWLP-UHFFFAOYSA-N 352.503 5.461 0 40 FKAB CO[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 8106370 CVCMJJGZXDZDBI-HXUWFJFHSA-N 367.832 5.459 0 40 FKAB Cc1cc(C)cc(NC(=O)Nc2nc(SCc3ccccc3)ns2)c1 9614838 CMHOQIQRXFSBMP-UHFFFAOYSA-N 370.503 5.091 0 40 FKAB COc1ccc(/C=C(/C(=O)N2c3ccccc3C[C@H]2C)c2ccccc2)cc1 10449662 HCNLRHGTXTUJGK-KIJZHVTOSA-N 369.464 5.214 0 40 FKAB Cc1cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CC3)c2cc1C 11865172 XFLNZJCNHJKCRN-UHFFFAOYSA-N 373.408 5.172 0 40 FKAB biogenic Cc1ccc(Sc2ncccc2COC(=O)NC2CCCCC2)cc1 12955110 LGMBXEPIDOCWLR-UHFFFAOYSA-N 356.491 5.100 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 14258531 OZKKBTARVCXLMX-KPKJPENVSA-N 356.469 5.448 0 40 FKAB Cc1ccccc1C(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835506 HKSDTCOTPZVADJ-NRFANRHFSA-N 360.482 5.399 0 40 FKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc1 19891174 ADUWBAXFGPBLKJ-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(F)cc1Cl 22402153 WTEXQQIKABYFBQ-UHFFFAOYSA-N 371.824 5.336 0 40 FKAB C[C@@H](NCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1Cl 24808236 IBHUPMSXEIGXAO-LLVKDONJSA-N 365.235 5.638 0 40 FKAB Clc1ccc(CNc2cccc(-c3nc4ccccc4s3)c2)cc1 45954109 QKEAGNOJYZJVEO-UHFFFAOYSA-N 350.874 6.229 0 40 FKAB Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccccc1-c1ccccc1 58363032 FLKWYQDIPASKLQ-UHFFFAOYSA-N 374.465 5.655 0 40 FKAB Cc1ccc2oc(/C=C/C(=O)Nc3ccc(Br)cc3)cc2c1 67339661 MBXKHPQKCXOUJT-VQHVLOKHSA-N 356.219 5.156 0 40 FKAB CC(C)CC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 70462051 XRXRDYBQUFMKSU-UHFFFAOYSA-N 352.434 5.308 0 40 FKAB CCOc1cccc2cc([C@@H](C)N[C@H](C)c3cn(C(C)(C)C)nc3C)oc12 97016452 SXBPMYYZBACFJY-GDBMZVCRSA-N 369.509 5.503 0 40 FKAB C[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 222671670 RRWMKSQXTKJRDW-SFHVURJKSA-N 359.513 5.947 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 224040278 RXKQXKBESPEHAZ-UHFFFAOYSA-N 372.512 5.541 0 40 FKAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Sc1ccc(Cl)cc1 225083960 LVPDBIGFJBVSDE-CYBMUJFWSA-N 361.677 5.435 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 226284626 SPRIVYZSAPHJDR-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB Oc1nc(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccc(Cl)cc12 253536168 JXJOSLWRYNRKMU-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB CCCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1Cl 408609223 MIPZEPDGTKMBLA-UHFFFAOYSA-N 354.233 5.093 0 40 FKAB CCCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 409098581 PIEVJSLYJOUVMP-UHFFFAOYSA-N 357.910 5.609 0 40 FKAB Clc1cc(Cl)c(OCc2ccccc2)c(CNc2ccccc2)c1 409118288 POJUCVSDBZAFDT-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(Cl)c(Cl)c1 1889084190 XESCIZFYPVKDEW-ZDUSSCGKSA-N 366.269 5.210 0 40 FKAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@H](C(C)(C)C)C2 643998 UBVONOGSGNJRLW-LBPRGKRZSA-N 365.539 5.060 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 826431 HVNDLTVQISDDKD-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCCCSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 2348765 WPIZJSHJQBXRON-FMIVXFBMSA-N 368.527 5.840 0 40 FKAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl 3319343 XMRGNLZIQUVZPA-UHFFFAOYSA-N 350.028 5.657 0 40 FKAB COc1cccc(NC(=S)N(C)C(c2ccccc2)c2ccccc2)c1 3345334 VWRVYJJHHIEGMF-UHFFFAOYSA-N 362.498 5.113 0 40 FKAB C/C(=C\c1ccccc1)c1nc2cccc(C)n2c1Nc1c(C)cccc1C 3909895 CVEJIIPJOXATOK-KNTRCKAVSA-N 367.496 6.564 0 40 FKAB C[C@H]1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 4427709 CTWBZPZGQUGJLG-CTUHWIOQSA-N 368.500 5.051 0 40 FKAB C(=C(c1ccccc1)c1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 5034185 PMDYIYXRTVUFFC-UHFFFAOYSA-N 373.455 7.084 0 40 FKAB CC(=O)[C@@H]1c2ccccc2[C@](C(C)=O)(c2ccccc2)[C@@H]1c1ccccc1 5064136 RNKAQPXYHASEMI-SDHSZQHLSA-N 354.449 5.032 0 40 FKAB CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(Cl)cc1 5451784 CIICRVVUGJBARB-UHFFFAOYSA-N 369.848 5.551 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 6304880 LMNXBAYPPBJZJV-UHFFFAOYSA-N 357.759 5.155 0 40 FKAB CC[C@H](C)Oc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 6555312 DGPJQJFRYHYOIJ-NSHDSACASA-N 360.866 5.379 0 40 FKAB Cc1ccc2c(CC(=O)Nc3ccccc3Cc3ccccc3)coc2c1 6838694 UXIUBXZLXRPBRG-UHFFFAOYSA-N 355.437 5.513 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc2cccnc12 6880412 YGTOTHNAJMEELG-UHFFFAOYSA-N 371.874 5.326 0 40 FKAB C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 6936954 PYAQWARXYQBSET-RNXZQOMOSA-N 364.533 5.212 0 40 FKAB Brc1ccc(NCc2ccccc2OCc2ccccc2)cc1 7094853 NFKQIQKYCRHBCJ-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB COc1ccc(SCC(=O)Nc2ccccc2Oc2ccccc2)cc1 7789989 YOVZKIDARLCTEL-UHFFFAOYSA-N 365.454 5.218 0 40 FKAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 12526878 WLCXNGIKRSJVQR-UHFFFAOYSA-N 366.505 5.126 0 40 FKAB c1ccc(CN2Cc3cc4ccccc4nc3O[C@H](c3ccccc3)C2)cc1 13563902 XZSTYAGJDQGISH-DEOSSOPVSA-N 366.464 5.371 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 13708968 KMYWOLNPILSSRZ-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 20049358 XERIQMCVPUXIAV-OAHLLOKOSA-N 359.425 5.476 0 40 FKAB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 20481157 IOBXNODOXWMQRI-KRWDZBQOSA-N 366.288 5.276 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1C 22250775 LUGAOZRRHOQUTH-UHFFFAOYSA-N 372.468 5.774 0 40 FKAB CCCCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 27792510 CANZVTCDIOGCAD-LJQANCHMSA-N 367.537 5.123 0 40 FKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 33404834 PNHYXRPPCRPHTM-ZZXKWVIFSA-N 357.620 5.324 0 40 FKAB c1csc([C@@H]2Nc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN32)c1 34087038 NJSHLRGCECJNPJ-FCHUYYIVSA-N 357.482 5.301 0 40 FKAB O=C(CCSCc1csc(-c2ccccc2)n1)Nc1ccccc1F 36397138 GATYJJNEJVJDHA-UHFFFAOYSA-N 372.490 5.211 0 40 FKAB Cc1cccc(CSc2nccn3nc(-c4ccc(C)cc4C)cc23)c1 38651972 BNARLLVFGJPCMK-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 59436956 AMPBTXSMNPAZBQ-BWACUDIHSA-N 360.240 5.518 0 40 FKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1 67190044 UNUSBOPMKGPTMB-LVWGJNHUSA-N 374.827 5.571 0 40 FKAB Clc1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 73639193 PLKFTYVEKDSSLV-UHFFFAOYSA-N 357.638 5.799 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)c1 96037266 JEUUUXFOPVDZKL-UHFFFAOYSA-N 359.473 5.583 0 40 FKAB CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)[C@@H]1C[C@H]3C=C[C@H]1C3)c2-c1ccccc1 103637865 GQINAOLOPRBWQT-SQEGATDGSA-N 374.528 6.039 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OC 106992981 KTBGJTWKUKXUIH-UHFFFAOYSA-N 358.240 5.542 0 40 FKAB COC(=O)c1cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 223089528 FKMZXLNPQRUJCI-UHFFFAOYSA-N 367.470 5.238 0 40 FKAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C(C)(C)C 224506774 BORBMANVHGCUJO-UHFFFAOYSA-N 369.505 5.100 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 225322648 FQBZVTCNDGDYFQ-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@H]12 245241278 ZULBOIQTAAUGKN-JLGZHIAASA-N 374.565 5.510 0 40 FKAB CCOc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408558873 SVKCVLPSOWIDSG-QGZVFWFLSA-N 368.285 5.171 0 40 FKAB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 408974147 VUTAXAMHLUUXOJ-WOJGMQOQSA-N 370.449 5.055 0 40 FKAB CCOc1c(Cl)cc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1Cl 692774 BIDUFPOCYPJJGQ-UHFFFAOYSA-N 370.619 5.214 0 40 FKAB CCC1=C(C)c2cc3nc(C(=O)OCc4ccccc4)c(C)c-3c(C)n2[C@@H]1C 1103461 AGSOKVUCSAOFBU-MRXNPFEDSA-N 374.484 5.720 0 40 FKAB Cc1nn2cc(-c3ccccc3)cc2c2c(C)n(Cc3ccccc3)c(C)c12 1106340 JJHJNYFSBFCFGD-UHFFFAOYSA-N 365.480 5.930 0 40 FKAB CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)[C@H](C)c1ccccc1 1321373 QGOAJGBPGUDRQY-AUSIDOKSSA-N 361.485 5.606 0 40 FKAB biogenic Cn1nc(-c2ccccc2)c(-c2nc(-c3ccccc3Cl)no2)c1Cl 1389892 HONSRZVHEJBULQ-UHFFFAOYSA-N 371.227 5.111 0 40 FKAB CSc1ccc(-c2nc3cccc(C)n3c2NC2CCCCC2)cc1 3909915 KBDAKBKYKQXOHJ-UHFFFAOYSA-N 351.519 5.776 0 40 FKAB CSC1(SC)[C@@H](C(=O)Nc2cccc3c2[C@@H](C)CC3(C)C)C1(C)C 4107569 UWPPUOHXVZXPPS-LRDDRELGSA-N 363.592 5.488 0 40 FKAB CCCCCCN(CCCCCC)CCCNc1nccc2ccccc12 4404067 WESMXNGVRUFBPI-UHFFFAOYSA-N 369.597 6.499 0 40 FKAB CCC(/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O)=C\c1ccccc1 4628355 IQYMUIGLSVZGJW-VWJQVUFMSA-N 373.786 5.299 0 40 FKAB c1ccc(-c2ccc(C3=NN(c4ccccc4)[C@H](c4ccco4)C3)cc2)cc1 4837124 WMGRXYDWWYXEEI-DEOSSOPVSA-N 364.448 6.302 0 40 FKAB O=C(OCc1ccc2ccccc2c1)C1c2ccccc2Oc2ccccc21 5054981 MGMTXHXOXNBXEN-UHFFFAOYSA-N 366.416 5.821 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 5233979 FFBRPQYNXKTORJ-UHFFFAOYSA-N 353.849 6.195 0 40 FKAB COCc1c(C(=O)Nc2ccc(Cl)cc2F)sc2cccc(F)c12 5404553 PKSUGEQTNILYQH-UHFFFAOYSA-N 367.804 5.232 0 40 FKAB Fc1ccc(CNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 7539117 KGCLUYWXDLFIPM-UHFFFAOYSA-N 350.220 5.682 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(Cl)c1 7771327 LZWFSDRFLHHVPF-UHFFFAOYSA-N 354.233 5.908 0 40 FKAB Fc1ccc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1 7847586 SDUJUSXKATVXLK-UHFFFAOYSA-N 359.469 6.648 0 40 FKAB COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1Cl 8135191 UBFHCQPKMXTNIT-UHFFFAOYSA-N 352.821 5.027 0 40 FKAB Cc1ccc(NC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c(C)c1 8369676 BGXZEXRIRUSPET-UHFFFAOYSA-N 370.456 5.345 0 40 FKAB Cc1ccc([C@@H](N[C@@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 8990693 UEVVNDYRUBOTER-FYYLOGMGSA-N 367.533 5.419 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 12862416 JZWUVARUMJFHPA-LIRRHRJNSA-N 371.889 5.075 0 40 FKAB O=C(Nc1cccc(Cl)c1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 13142469 RRSLLQLMRWNJBR-PFNKYVCDSA-N 358.696 5.135 0 40 FKAB Cc1cccc(C)c1NC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12 14160435 KRBHNRYBHHRTEK-UHFFFAOYSA-N 351.299 5.167 0 40 FKAB Cc1cccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 16842879 JZJVRSOEDURQPR-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1cccc(Cl)c1 17314609 DEXARCFNYFLGQR-OAHLLOKOSA-N 353.897 5.052 0 40 FKAB Clc1cc(Br)ccc1-c1ccc(CNC2CCCCC2)o1 20875588 YSNXQAJVSSVVMF-UHFFFAOYSA-N 368.702 5.785 0 40 FKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21576356 QOHYTDNCUJVLHC-INIZCTEOSA-N 370.468 5.246 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(CC)nn23)cc1 23115011 PPQCCFVYRIQNQN-UHFFFAOYSA-N 372.472 5.409 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccc(OC(F)F)cc1 23162523 QUAMZMKJAGVEPM-QGZVFWFLSA-N 372.396 5.121 0 40 FKAB Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1C 27663465 ONSKRAILJYKHLE-UHFFFAOYSA-N 369.461 5.116 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(CC)CC 28284521 HDNWUZBUFTVGHS-UHFFFAOYSA-N 373.518 5.583 0 40 FKAB C=C/C=C(\C=C/CCC)N(C(=O)NC1CCCCC1)C1=NCCCS1 28641023 HQJIBILHDBQGHJ-XNPDRYTRSA-N 361.555 5.250 0 40 FKAB CC(C)c1ccc(-c2nc(C(=O)Nc3nnc(C(C)C)s3)cs2)cc1 29634919 HUZHYAWBPTVHKX-UHFFFAOYSA-N 372.519 5.161 0 40 FKAB Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1Cl 47970288 GROBWQFBWFBWDQ-AWEZNQCLSA-N 369.852 5.201 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 141019248 DSVKKLFIBOOIKE-UHFFFAOYSA-N 371.820 5.163 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1 216298918 JFSANVXQOOBCFI-FQEVSTJZSA-N 370.279 5.821 0 40 FKAB CC(C)c1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218935769 LFCVEIYEPGCYDD-UHFFFAOYSA-N 367.533 5.235 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(C)C)cc1 222547205 RXQSYBJOUVJRIB-JOCHJYFZSA-N 351.490 5.485 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1C 223011246 WYSCXGFVZRDERY-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 224437893 DTZVHBDRYKRRGA-UHFFFAOYSA-N 365.832 5.057 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccccc2SC)ccc1OCC 224731482 XQHIGBORVAYVEJ-UHFFFAOYSA-N 373.518 5.376 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(N)c1 226349296 WWNJPSXQAYFERP-UHFFFAOYSA-N 360.335 5.108 0 40 FKAB O=C(CCc1cccc(Cl)c1)N[C@@H](c1ccsc1)c1cccs1 390826229 FVGMWLAZGJALHQ-SFHVURJKSA-N 361.919 5.301 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1C 408681818 TXDCDUARGLYLLO-GOSISDBHSA-N 361.441 5.502 0 40 FKAB CC(C)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408988595 ILSKJHJKIQIEFF-UHFFFAOYSA-N 352.503 5.846 0 40 FKAB CC(C)CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409111481 CKFCOQWSVWXYQF-HYUJZPPJSA-N 374.528 5.369 0 40 FKAB OC1=NC(=S)S/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 1245241 UOUZZHXIEFYNRG-RQZCQDPDSA-N 368.458 5.158 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(F)c(Cl)c1 1264421 AMCBSFTUJRUHGU-GORDUTHDSA-N 374.626 5.446 0 40 FKAB Clc1ccc(N(CSc2ccccc2)CSc2ccccc2)cc1 1575403 OSBXHQJUNTVBRK-UHFFFAOYSA-N 371.958 6.646 0 40 FKAB Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 2203984 PMNWMRUMCOEZPR-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Cc1ccccc1-n1c(SCCc2ccccc2)nc2ccccc2c1=O 2296967 KMUKOJYDDMMGQG-UHFFFAOYSA-N 372.493 5.029 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2539608 XIIAYQZJNBULGD-NRIGANSYSA-N 372.681 8.498 0 40 FKAB biogenic CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)O1 3058488 ZOPSSVKNJXPOEG-PMACEKPBSA-N 370.876 5.811 0 40 FKAB C[C@H]1C[C@@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1 3213961 SUTOOAKGISNEJH-FDDCHVKYSA-N 356.469 5.208 0 40 FKAB Brc1ccc(-c2csc(NCCc3ccccc3)n2)cc1 3281609 IRISWUFIEOUHCJ-UHFFFAOYSA-N 359.292 5.227 0 40 FKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[C@H](C)CC(C)(C)C4)[C@H]3C=C12 4025772 PYBYTHWIXNGPQO-PXHKYORFSA-N 373.581 5.059 0 40 FKAB biogenic Fc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 4548591 DUWOFJFFRLSGGF-UHFFFAOYSA-N 355.221 5.475 0 40 FKAB Cc1cc(OCCCC(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl 5853922 UAGYFVASWSFBTN-HXUWFJFHSA-N 357.881 5.001 0 40 FKAB O=C(C1=C[C@@H]2Cc3ccccc3[C@@H]2C=C1)c1cccc(Br)c1 5875451 PTTZZBPFQKBWPC-QFBILLFUSA-N 351.243 5.084 0 40 FKAB Cc1ccc(-c2n[nH]c(SCc3c(Cl)cccc3Cl)n2)cc1 6148478 VQIKLSDCIKHPHX-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB COc1c(Cl)cc(C(=O)Nc2ccccc2)cc1OCc1ccccc1 6229575 YXOZHRZYPLCZDE-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 6398388 ZUGYOQUKVWYSHQ-UHFFFAOYSA-N 359.469 5.318 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)c(Br)c1 6964461 UFRTWQDVOSUTGM-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB Cc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 7651869 YVJRQASZZWEEKT-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB COc1ccccc1NC(=O)c1c(C)nc2ccccc2c1-c1ccccc1 7653256 WTANUQKRQCDEIQ-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB COc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl 8768189 SXZLMAYZUJKQEO-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 9157740 GBRWCSSIDHSJCJ-IBGZPJMESA-N 373.481 5.064 0 40 FKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl 10860466 CPFHFQCTJWZTJV-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB CCCOc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14066117 LVYNABVTXCLVEP-UHFFFAOYSA-N 365.404 5.659 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 14399660 XGWACQMHXQZGMY-UHFFFAOYSA-N 358.652 5.445 0 40 FKAB O=C(Cc1coc2ccc(F)cc12)Nc1cc(C(F)(F)F)ccc1Cl 15083974 ZNMDPGJEIRMIQX-UHFFFAOYSA-N 371.717 5.425 0 40 FKAB CCOC(=O)/C(=C\c1cccc2ccccc12)P(=O)(OCC)OCC 17381116 UXIVPFUAIKXJLT-NBVRZTHBSA-N 362.362 5.010 0 40 FKAB COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(C)cc1 20367351 GPXOYOSARFQLMK-UHFFFAOYSA-N 359.897 5.268 0 40 FKAB CC(=O)OCC1=CCC[C@H]2[C@@](C)(CC[C@H](C)CC(=O)O)[C@H](C)CC[C@@]12C 31157823 QSEIUMVWJJWZJP-VLGZMJLESA-N 364.526 5.219 0 40 FKAB biogenic,in-vitro Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 45889082 RBLDURRNOIHWGR-UHFFFAOYSA-N 373.481 5.415 0 40 FKAB Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccc(C)c(C)c3)c2c1 49002999 IKIMFKOWIVZXLG-UHFFFAOYSA-N 359.473 5.140 0 40 FKAB Cc1c(F)cccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 71326041 LLSPTMPSVWFALT-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)(C)c1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc1 71977922 HYBYTFMHNAUGEI-UHFFFAOYSA-N 372.299 5.997 0 40 FKAB c1ccc(CN2CCCC[C@H]2c2cccnc2Sc2ccccc2)cc1 72217688 SMHULYPLIIIDMB-QFIPXVFZSA-N 360.526 5.960 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCSc2ccc(C)cc2)cc1 216269662 JMHHLPRLLXRTEN-OAQYLSRUSA-N 371.546 5.389 0 40 FKAB Cc1ccccc1Nc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cn1 223959410 XOQNJLPZWWPXHD-INIZCTEOSA-N 362.502 5.181 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225256118 KAEUHSTZPSHOOE-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCCCC2)cc1 225541902 PSHZBYGAAFMTCQ-UHFFFAOYSA-N 365.517 5.870 0 40 FKAB CC(C)(C)c1cc(-c2[nH]c(C=O)nc2Br)cc(C(C)(C)C)c1 1857794921 VWPMYDZZRBZTHG-UHFFFAOYSA-N 363.299 5.247 0 40 FKAB CC(C)CN1C(=O)N(c2ccccc2)[C@@H]2[C@H](c3ccccc3F)CC[C@@H]21 2037853990 ZVVFSBSISTTYNS-SESVDKBCSA-N 352.453 5.039 0 40 FKAB CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc2ccccc2c1 691782 TWUQBRMAVDWXHC-LJQANCHMSA-N 362.454 5.490 0 40 FKAB Fc1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 1074187 QJJFGVPVTOHCIZ-UHFFFAOYSA-N 366.823 5.456 0 40 FKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)[C@@H]12 1409529 QWRZTDIVFDZYDY-KNQAVFIVSA-N 359.425 5.606 0 40 FKAB Cc1nc(Oc2cccc(Oc3ccccc3)c2)c2c(C)c(C)sc2n1 3259466 NNQUIMYSBKZTNG-UHFFFAOYSA-N 362.454 6.201 0 40 FKAB COc1ccc(COC(=O)c2sc3cc(F)ccc3c2Cl)cc1F 3285161 LRCKQVLIVBQQEG-UHFFFAOYSA-N 368.788 5.199 0 40 FKAB Cc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 3371650 WBCUCIBFJPLPMS-HNNXBMFYSA-N 351.475 5.016 0 40 FKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 3900878 XVNYWCVCJAZHNY-UHFFFAOYSA-N 370.880 5.973 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C)cc3C)ccc21 4140806 RSUQKVITESYHJZ-UHFFFAOYSA-N 372.468 5.449 0 40 FKAB aggregator COc1ccc(C)cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 6394880 UCIHKLCWXKZENR-UHFFFAOYSA-N 370.301 5.182 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2ccc(F)cc2s1 6926755 SLYVEJQZBJLGQT-QHHAFSJGSA-N 367.232 5.394 0 40 FKAB Cc1csc(N(C(=O)Cc2cccc3ccccc23)c2ccccc2)n1 7688853 SINFPEGBBKOOFC-UHFFFAOYSA-N 358.466 5.512 0 40 FKAB CCc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7699512 UWYYWCVZBQFTDT-UHFFFAOYSA-N 365.860 5.734 0 40 FKAB CCc1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1 10338526 PYARNNDHJFYIQR-UHFFFAOYSA-N 361.510 5.972 0 40 FKAB CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C 10442277 HCMSWYXUYNCYNQ-UHFFFAOYSA-N 359.425 5.091 0 40 FKAB Cc1ccc(Nc2nn(CN(C)Cc3ccccc3C)c(=S)s2)cc1 12552728 GOCLTYKLHMTMMN-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB c1cncc(-c2nc(Nc3ccc(N4CCCC4)cc3)c3ccccc3n2)c1 12596388 GSEGUGDIJVMHJE-UHFFFAOYSA-N 367.456 5.036 0 40 FKAB FC(F)Oc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12599833 DPRIAVDJKXFAGK-HXUWFJFHSA-N 363.367 5.277 0 40 FKAB Fc1ccc(COc2ccc(Cl)cc2CNC2CCCCCC2)cc1 16401771 BBGUJRONHYNMGU-UHFFFAOYSA-N 361.888 5.871 0 40 FKAB c1ccc(COc2ccccc2CNCCc2c[nH]c3ccccc23)cc1 16480778 DHMIBLLMEXRDGO-UHFFFAOYSA-N 356.469 5.079 0 40 FKAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1C 19557964 QDYCPTDHDSMEQE-SFHVURJKSA-N 370.884 5.062 0 40 FKAB CC(C)c1ccc(CNc2ccc(OCCC3CCCCC3)cc2)cc1 19738572 ADXFSHSUYCUAAP-UHFFFAOYSA-N 351.534 6.771 0 40 FKAB Cc1cc(C)cc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)c1 20796632 DHOFXVCQWSNQLU-OAHLLOKOSA-N 363.436 5.137 0 40 FKAB CCOc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)cc1 27585257 RXGRXFFXWWGLSD-UHFFFAOYSA-N 372.472 5.662 0 40 FKAB FC(Cl)(Cl)C(F)(F)N1c2ccccc2Sc2ccccc21 35930555 VVPSXDGTSPZADO-UHFFFAOYSA-N 350.192 5.983 0 40 FKAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc2cc[nH]c2c1 40268345 YRUMHOOFCWKTQC-UHFFFAOYSA-N 365.436 5.428 0 40 FKAB O=C(NCc1ccc(F)cc1)c1ccc(CSc2ccccc2)cc1 44904736 GCCZUHPLCIKVOF-UHFFFAOYSA-N 351.446 5.048 0 40 FKAB Fc1cc(Cl)ccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71761662 KJJAXAGHUPLFGM-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215734 CUSLBKXYDUYQFR-IBGZPJMESA-N 373.541 5.313 0 40 FKAB c1ccc(COC[C@H](Nc2ncnc3sccc23)c2ccccc2)cc1 72293825 YUCCMDCDIGULGC-IBGZPJMESA-N 361.470 5.061 0 40 FKAB O=C1[C@H]2CC[C@@H](C2)[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100970813 NBTAGCPQLIPHHH-FIKGOQFSSA-N 361.466 5.468 0 40 FKAB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223013507 SNAWRQJNHHINHK-LJQANCHMSA-N 372.306 5.209 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc2c(c1)CCCC2 223096929 UYJWXKHRFXIKJU-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 223745463 GPEWOYLSTRAXBZ-NTCAYCPXSA-N 365.517 5.316 0 40 FKAB S=C(NCc1ccco1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223903467 CAJOCGGCYMXONG-UHFFFAOYSA-N 374.469 5.058 0 40 FKAB O=C(O)c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1Cl 409189675 MSCDRHXREKRTRT-UHFFFAOYSA-N 355.802 5.575 0 40 FKAB CCCc1ccc(-c2ccc(C(=O)C(F)(F)Br)cc2)cc1 575358729 ATZCNHXJCFEXDB-UHFFFAOYSA-N 353.206 5.477 0 40 FKAB O=C(NCCc1ccc(-c2ccsc2)s1)Nc1c(F)cccc1F 575413999 GTUCLRDXSDSQIH-UHFFFAOYSA-N 364.442 5.119 0 40 FKAB Clc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1 2113428287 GPSANGMVXUUILB-UHFFFAOYSA-N 353.852 7.104 0 40 FKAB Cc1cccc(C(=O)N(Cc2ccco2)c2nc(-c3ccccc3)cs2)c1 882162 KRKUNOXGVVGPKI-UHFFFAOYSA-N 374.465 5.559 0 40 FKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C1c2ccccc2Oc2ccccc21 1480367 QUQPMWUCVSHBJK-HNNXBMFYSA-N 373.427 5.431 0 40 FKAB Cc1ccc(-c2nc(-c3nccc4ccccc34)oc2-c2ccccc2)cc1 1705919 IOAOVPFXAIBMCW-UHFFFAOYSA-N 362.432 6.532 0 40 FKAB in-vitro O=C1C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)OC1CCCCC1 1713628 JSHJFTGXJFYJMM-MZYLBHOOSA-N 362.469 5.019 0 40 FKAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 2183236 VISVTDOOAKCNHK-CQSZACIVSA-N 353.824 5.888 0 40 FKAB Cc1ccc2nc(-c3nnc(-c4ccccc4Br)o3)ccc2c1 2786385 GOHPYWXQBVCUTO-UHFFFAOYSA-N 366.218 5.023 0 40 FKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 3214866 BWJUIFXCJDPVOP-UHFFFAOYSA-N 374.248 5.890 0 40 FKAB CCOc1cccc2sc(Nc3nc4c(OC)cccc4s3)nc12 4121612 OYQIVAJJULHUJA-UHFFFAOYSA-N 357.460 5.057 0 40 FKAB Cc1ccc(-n2c(/C=C/c3ccccc3Cl)nc3ccccc3c2=O)cc1 4427328 NHNURXAJIAAEKE-NTCAYCPXSA-N 372.855 5.518 0 40 FKAB Cc1ccc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 4664531 UQKBYVYOYRHVTL-UHFFFAOYSA-N 373.827 5.539 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(Br)cc4)n(C)c3n2)cc1 4678316 FYBITGDPQILHLQ-UHFFFAOYSA-N 366.262 5.078 0 40 FKAB COc1cccc(-c2cc(C(F)(F)F)nc(N[C@@H](C)c3ccccc3)n2)c1 4757757 VNGBBCKOYMEMQI-ZDUSSCGKSA-N 373.378 5.344 0 40 FKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3CCO[C@]34CCCC[C@H]24)cc1 4899209 CKZZOIDHUAISOG-OYRHQHFDSA-N 357.497 5.360 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 5262183 HWTKMGKGCUGHDO-GOSISDBHSA-N 374.553 6.525 0 40 FKAB CCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 6048670 QDJWFKLMEAXOJI-UHFFFAOYSA-N 358.397 5.146 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1ccccc1SCc1ccccc1 7684655 ALGOAGHCYQRDSJ-UHFFFAOYSA-N 369.489 6.384 0 40 FKAB Cc1cc(C)cc(-c2nnc3sc(-c4ccc(-c5ccccc5)o4)nn23)c1 8715052 LKZJMKNEAIOILW-UHFFFAOYSA-N 372.453 5.397 0 40 FKAB Cc1ccsc1CN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 8869930 KWLBEPSCVYBSDG-UHFFFAOYSA-N 360.866 5.537 0 40 FKAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1 10447250 HIXLHXIZPIWXEC-UHFFFAOYSA-N 367.489 5.041 0 40 FKAB C[C@H]1CCc2nc3sc4c(c3c(-c3ccc(Cl)cc3)c2C1)CCC4 12610198 HXIWZKRWMHMRQK-LBPRGKRZSA-N 353.918 6.230 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 14258139 BTZHOMKXVXGMIX-NSHDSACASA-N 352.261 5.768 0 40 FKAB Fc1ccc(CCNCc2ccc(OCc3ccccc3Cl)cc2)cc1 16449881 WMGKYAONTPLXPV-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 17026449 LRZQBGZSLGVLMV-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cc(F)cc(F)c1 17306844 CYRLBNKKQJLRRK-UHFFFAOYSA-N 362.763 5.087 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 20107648 FNJOOIYQHIJEGG-RTBURBONSA-N 359.922 5.405 0 40 FKAB Cc1cccnc1N(Cc1cccs1)C(=O)c1oc2ccccc2c1C 27742800 GKRLHAWOJFXHMQ-UHFFFAOYSA-N 362.454 5.353 0 40 FKAB Cc1ccc(-c2csc3ncnc(NCc4ccc(Cl)cc4)c23)cc1 27747166 ORKLKJQXCIFQGK-UHFFFAOYSA-N 365.889 5.932 0 40 FKAB CSc1nc(Sc2ccccc2)c2oc(-c3ccccc3)nc2n1 41154747 CQUQVKWMVNLFTP-UHFFFAOYSA-N 351.456 5.158 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC 44839020 PCJQAPVZNSVZCO-IBGZPJMESA-N 351.471 5.358 0 40 FKAB O=C(Nc1ccccc1N1CCCCC1)N1CC=C(c2cccs2)CC1 118008185 DFXXDZCGRXBRES-UHFFFAOYSA-N 367.518 5.060 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)s1 215186847 UDWBGIYHIWNMDG-VGOFMYFVSA-N 367.854 5.086 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 223316160 KVWQDMCUQVVCHP-LAUBAEHRSA-N 351.490 5.080 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C 223491381 VGNLIXLDXBZMLM-DLBZAZTESA-N 359.897 5.218 0 40 FKAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1Cl 225137807 HTGUUNYUNYANNE-OAQYLSRUSA-N 365.860 5.176 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225640870 AWZOUZVHDPPCMP-WOJBJXKFSA-N 367.489 5.043 0 40 FKAB CC[C@@H](F)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817335 WOAHNCOAJLHCEZ-LJQANCHMSA-N 373.471 6.554 0 40 FKAB in-vitro CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(F)cc1 408563758 XBLYJCHIXBFRJD-LNVKXUELSA-N 368.477 5.069 0 40 FKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408817022 VOJAHHWJXDRXJE-UHFFFAOYSA-N 371.913 5.535 0 40 FKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(CC)cc1 953679 SZVJMGZDHGCWFT-UHFFFAOYSA-N 364.445 5.116 0 40 FKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3F)sc(C)c2C)cc1 1224365 AJQMZQREDXCPGP-UHFFFAOYSA-N 367.445 5.296 0 40 FKAB CCCCNc1nc(SCc2ccc(Cl)cc2)nc2ccccc12 2941537 JYOBAMJKKXFLJW-UHFFFAOYSA-N 357.910 5.788 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)o1 4174139 UVTLQYLBIYMCDX-UHFFFAOYSA-N 360.438 5.631 0 40 FKAB aggregator CCCCOc1ccc([C@@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 4348637 BTBXXZMSOPRQCC-DNQXCXABSA-N 367.533 5.169 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2)N3)C1 4545696 LSQXESBPHLZBOI-FZKQIMNGSA-N 370.518 5.424 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2)N3)C1 4553426 HICKERMMIDSBRU-BEFAXECRSA-N 368.546 6.027 0 40 FKAB CCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 7262328 KYQIWECKLAUJLD-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB COc1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2)cc1 7538268 NCFZTWNAGQOKLA-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB CN(Cc1cccs1)C(=O)c1cc(-c2cccs2)nc2ccccc12 8191956 RRIODLLVFJIHEX-UHFFFAOYSA-N 364.495 5.297 0 40 FKAB CCCCCc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)cn2)cc1 8625499 MNLNQPFQYNUZDA-UHFFFAOYSA-N 367.439 6.750 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 8771951 NPQCOXQSPGUGTI-KSFYIVLOSA-N 362.473 5.103 0 40 FKAB Cc1ccc2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1 9141189 KJBPZBWNRMVKMT-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB CCCCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 9190499 MCBWOGOBSBHUDN-UHFFFAOYSA-N 365.260 5.374 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2c(Cl)cccc2Cl)N3)C1 17086060 JGMLVNJJJKURTE-GLEZIHRCSA-N 367.301 5.034 0 40 FKAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(Cl)c2)c1C 19557967 QDYCPTDHDSMEQE-GOSISDBHSA-N 370.884 5.062 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 20458299 XDLXZLPWVPJZBA-GBXCKJPGSA-N 373.496 5.285 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 20486036 ANWFRKXQSYAXLC-JTQLQIEISA-N 356.274 5.121 0 40 FKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)[C@H]1CC=CCC1 23637470 XPJDRGZAPVCXPK-HNNXBMFYSA-N 374.278 5.024 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 27974964 CNSJQRYQCGCVGP-AWEZNQCLSA-N 367.832 5.103 0 40 FKAB Cc1nn(C(C)C)c(C)c1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 65004819 RVSTTZGPOMKWHL-UHFFFAOYSA-N 365.264 5.121 0 40 FKAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)Nc1ccccc1 65500559 AVAKQTQZWHTBQY-KRWDZBQOSA-N 350.487 5.413 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 65734645 KTONJCQNAMVMHS-VAFBSOEGSA-N 362.513 5.483 0 40 FKAB in-vitro CC/C(=C\C(=O)Nc1ccc(Oc2ncccn2)cc1)c1ccc(C)cc1 96035778 HTVPGNAPPUURCU-BMRADRMJSA-N 359.429 5.009 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(OC(F)(F)F)cc2)c1 199720185 CXKHUJHTZLFUMA-UHFFFAOYSA-N 368.355 5.362 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 223441364 GXFMBMNVGZQRAT-MOPGFXCFSA-N 367.533 5.554 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1C 223490666 HWWBHUMDFBYRAF-SFHVURJKSA-N 353.506 5.166 0 40 FKAB CC(C)(C)c1ccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225082654 HFVJQPVWDFDSMS-MRXNPFEDSA-N 367.272 5.366 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225652807 WMTHWYZHMGEMIF-XMSQKQJNSA-N 363.542 5.876 0 40 FKAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(C)c(C)c1 408564513 ZASLGSSBDXWOLH-FCQUAONHSA-N 364.514 5.157 0 40 FKAB CCCCOc1ccccc1C(=O)Nc1ccc(Br)cc1C 408588976 XPGGOPQLBCUZLS-UHFFFAOYSA-N 362.267 5.189 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)c1 409336944 RGARWTGHLDMRCB-XWGVYQGASA-N 369.464 5.473 0 40 FKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1 828053 YLFZSZBEJGLPHM-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(F)cc1 865378 AGNPMTAVNBPIFK-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)C3CC3)C3CCCC3)cc2c1 1364825 LGPFBDMEMBKEIY-UHFFFAOYSA-N 356.897 5.186 0 40 FKAB c1ccc(CNc2nc(SCc3ccccc3)nc3ccccc23)cc1 2266455 XXFGGKAPSVWCTP-UHFFFAOYSA-N 357.482 5.534 0 40 FKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 2320582 AOUBOVMPCSFLJD-UHFFFAOYSA-N 370.543 5.137 0 40 FKAB CCc1ccccc1-n1nc(-c2ccc(C)cc2)c(C)c1-c1ccc(C)cc1 2733329 CHHXDBBLINBFKR-UHFFFAOYSA-N 366.508 6.694 0 40 FKAB Cc1cccc(-c2cc(C(=O)Nc3cc(C)cc(C)n3)c3ccccc3n2)c1 2742143 JUHIQQQXSDRLDS-UHFFFAOYSA-N 367.452 5.474 0 40 FKAB Cc1cc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c(C)n1C 3334532 WSFQOQGLCDCDMG-UHFFFAOYSA-N 361.470 5.171 0 40 FKAB COc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)ccc1O 3640976 KKJJDHIJBQHOMI-UHFFFAOYSA-N 374.484 5.043 0 40 FKAB biogenic COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 4288478 USIVZWFJBBEFAI-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCc1ccc(-c2ccc(SCC(=O)c3ccc(Cl)cc3)nn2)cc1 4356293 YTEIOWHSADRMMO-UHFFFAOYSA-N 368.889 5.334 0 40 FKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccco1 4858129 QRCMKCXYUBFQCK-UBEQRZCFSA-N 371.480 5.219 0 40 FKAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 5276844 PFCVPDHSSAWHDG-BMGDILEWSA-N 355.478 5.313 0 40 FKAB Cc1nn2c(c1-c1ccc(F)cc1)N=C(c1ccco1)C[C@H]2c1ccco1 5487606 BTYIDJXCTZBKTH-KRWDZBQOSA-N 361.376 5.298 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 6215055 GKXOOVJAKZAUJJ-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 6272211 CZZNECGIAVDYIR-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 6563656 WEZNLBQEKWESKA-DZHTZDHQSA-N 372.637 6.999 0 40 FKAB Clc1ccc2c(Oc3ccc(OCc4ccccc4)cc3)ccnc2c1 6831690 YZHJFSAAVMTZLM-UHFFFAOYSA-N 361.828 6.260 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(CN(CC)CC)cc2)cc1 7080027 DLDVYLKMSSMTRA-SFHVURJKSA-N 368.521 5.059 0 40 FKAB CCCCOc1cccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 7348935 TYXIXJOCTLYCKX-UHFFFAOYSA-N 354.475 5.344 0 40 FKAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1Cl 8254103 WIZGENRMGMYMFJ-UHFFFAOYSA-N 366.288 5.223 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 9141447 OYPFREONUDNCHF-NSHDSACASA-N 352.261 5.768 0 40 FKAB CC(C)c1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 11368536 FHVOKVGPNWJILB-UHFFFAOYSA-N 370.399 5.315 0 40 FKAB Cc1ccc(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)s1 12909623 FYDRMRIRMSBQRA-UHFFFAOYSA-N 363.649 5.056 0 40 FKAB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCc2ccccc21 14076074 JYFOQLGGUZPQIL-UHFFFAOYSA-N 358.224 5.456 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1SC(F)F 14603405 IURSAIVDDCQFLJ-JTQLQIEISA-N 357.809 5.061 0 40 FKAB Cc1cc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)c(C2CC2)o1 19236689 VTJWADVKWMFJRG-UHFFFAOYSA-N 374.484 5.342 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)[C@@H](C)c2ccccc2)n1 19690612 SMQKDHDRJLXLQD-YADARESESA-N 370.496 5.524 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20454248 BCXHQMBBDNSCEZ-GCJKJVERSA-N 367.533 5.655 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1CCc1ccccc1 20456471 FGZVNLXNESYXQF-XMMPIXPASA-N 355.481 5.279 0 40 FKAB CC(C)CC[C@@H](CCN[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 32094434 XFVIWMOPUHYFLJ-ICSRJNTNSA-N 351.962 5.797 0 40 FKAB Brc1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1 32616745 IKXBICOBVSBNEZ-UHFFFAOYSA-N 361.242 5.726 0 40 FKAB Cc1ccccc1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 38667805 YZKYZTYZVFGXJY-UHFFFAOYSA-N 371.893 5.136 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(C)c1 38856141 YNPFIVIYFQHHRV-MRXNPFEDSA-N 350.506 5.096 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38859918 NESFCNSDXJJWFL-LJQANCHMSA-N 368.496 5.108 0 40 FKAB CC(C)C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 44886288 XMDKYCGHZBAHJX-LJQANCHMSA-N 361.938 5.477 0 40 FKAB Cc1ccc(NC(=O)N2CCC(Nc3ccccc3C)CC2)cc1Cl 58300450 XXIOZXLMIUBWMI-UHFFFAOYSA-N 357.885 5.065 0 40 FKAB CCCCCCOc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 59959025 QBTBGZISFHINNM-HKWRFOASSA-N 367.420 5.129 0 40 FKAB Cc1ccc(-n2c(C(C)(C)C)cs/c2=N\c2ccc(C)cc2C)cc1 101143377 DTSQLNCADLBTAF-LNVKXUELSA-N 350.531 5.994 0 40 FKAB Cc1ccc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)cc1 101320368 SYERLOCAOJRPRS-UHFFFAOYSA-N 361.422 5.082 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 223053358 CYFKTPUDZOHFEH-AWEZNQCLSA-N 365.395 5.543 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccccc2OC(C)C)c2ccccc2O1 223577199 POODFHUOZDHVKS-IBGZPJMESA-N 367.489 5.286 0 40 FKAB CC(C)c1ccccc1OCCNC(=O)CCc1ccc(C(C)(C)C)cc1 223771454 YWLRRTWOEPIRFK-UHFFFAOYSA-N 367.533 5.235 0 40 FKAB CC(C)C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 225493409 XUEYNXSIESKNTC-KRWDZBQOSA-N 350.890 5.553 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C)c(C)c1 225624369 MBXJCEFVHZKLPY-UHFFFAOYSA-N 356.535 5.011 0 40 FKAB CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]1C=C(Cl)Cl 993506 BYHVBOKYMMJGHU-QPUJVOFHSA-N 353.076 5.523 0 40 FKAB Cc1nnc(Nc2ccc3c(c2)ncn3-c2ccccc2)c2ccccc12 1213337 KYVGPJDGOUTBND-UHFFFAOYSA-N 351.413 5.021 0 40 FKAB O=c1cc(-c2ccc(Cl)cc2Cl)oc2ccc(Br)cc12 1447872 MCPMMIRVZHHKTB-UHFFFAOYSA-N 370.029 5.529 0 40 FKAB biogenic O=C(Nc1cccc(Cl)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 1453665 ZRNISCHUPPEJHC-UHFFFAOYSA-N 365.738 5.871 0 40 FKAB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 1719996 CFUKVDGORIYESD-UHFFFAOYSA-N 365.263 6.513 0 40 FKAB C1=C(c2ccccc2)n2c3c(c4ccccc42)CCC[C@H]3[C@H]1c1ccccc1 2258804 VYGMBWDXVZDEIU-BJKOFHAPSA-N 361.488 6.748 0 40 FKAB COc1ccc(-c2cc3cc(OC(C)=O)ccc3n2Cc2ccccc2)cc1 3018477 KDSYQOUIPKBTNU-UHFFFAOYSA-N 371.436 5.291 0 40 FKAB CCOC(=O)c1oc2ccccc2c1CSc1ccc2ccccc2c1 3355142 UYTNHKXDYHXBNC-UHFFFAOYSA-N 362.450 6.055 0 40 FKAB COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1OC 3376833 XUXTVLKGKGXAFS-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB Cc1csc(N(C(=O)c2ccccc2C(F)(F)F)c2ccccc2)n1 3458542 FSVMDWAHRDKWPI-UHFFFAOYSA-N 362.376 5.449 0 40 FKAB Clc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c(Cl)c1 4315284 GJZRDCCWSAGXRG-UHFFFAOYSA-N 360.288 5.249 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc4ccccc34)sc2c1 4917502 RVXUCHVTUNFXAB-UHFFFAOYSA-N 351.858 6.269 0 40 FKAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc12 5688631 XJADCMVBMURDER-LBPRGKRZSA-N 374.868 5.455 0 40 FKAB CCCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 5859946 NKXMRPQYMWVZNR-UHFFFAOYSA-N 364.445 5.512 0 40 FKAB CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 6296739 FXPMSYZZNMJGFF-UHFFFAOYSA-N 358.441 5.124 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2C)cc1OCC 6340240 SVPITMUNKRDKQN-UHFFFAOYSA-N 361.869 5.397 0 40 FKAB O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Cl)cc1Cl 6345649 LFLGNSSOVBRKHE-UHFFFAOYSA-N 366.269 5.530 0 40 FKAB O=C(O)c1c(Sc2ccccc2)c(-c2ccccc2)nc2ccccc12 6530220 DQSIJQINJLWDDH-UHFFFAOYSA-N 357.434 5.751 0 40 FKAB Cc1cc2sc(NC(=O)c3ccc4ccccc4c3)nc2cc1Cl 6826378 APKBXVOJWSMCAN-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1Cl 7996042 FBXNNGQKPFQIIJ-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 8219876 DTGDZMYNKLTSKC-HKQCOZBKSA-N 370.665 8.418 0 40 FKAB endogenous,in-man Cc1ccc(CSc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 8936452 AIXYFOLBIGLVIX-UHFFFAOYSA-N 372.490 5.064 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1 9194933 FKPNWKRCNWOBFJ-UHFFFAOYSA-N 354.837 5.545 0 40 FKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2ccccc2c1 12816596 JJZORTBPTBKMGC-UHFFFAOYSA-N 373.283 5.217 0 40 FKAB Cc1ccc(-c2nc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1 12821452 VAXYMWWEGJTLOS-UHFFFAOYSA-N 356.494 6.213 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F 14110748 DGFRIQKFUMKPOH-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB Cn1c(SCc2sc3ccccc3c2Cl)nnc1-c1ccccc1 14184279 OQLBWYKPDQBBAU-UHFFFAOYSA-N 371.918 5.643 0 40 FKAB FC(F)(F)c1cccc(COc2cccc3ccc(N4CCCC4)nc23)c1 17170702 ZHTILEGMCPXDFW-UHFFFAOYSA-N 372.390 5.433 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCSc2ccccc2)cc1 20457228 WHLSFXOFQBIAJA-HXUWFJFHSA-N 357.519 5.081 0 40 FKAB Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)cc1 20632762 SPDDCMCQHYXOMA-INIZCTEOSA-N 350.849 5.055 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc(Cl)c1Cl 32693358 FTOADDZNEATACQ-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 46844008 BABGCICVRPIHGI-QGZVFWFLSA-N 372.490 5.072 0 40 FKAB Cc1cc2cc(NC(=O)c3cc(C)n(Cc4ccccc4)c3C)ccc2[nH]1 48314425 XDSQONOEKLPHFP-UHFFFAOYSA-N 357.457 5.195 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 58160737 JCHBHBKSLCALMO-IBGZPJMESA-N 372.512 5.518 0 40 FKAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](c2cccnc2)S1 71283696 LEXJLIRSMYUYBD-KRWDZBQOSA-N 356.495 5.155 0 40 FKAB CCOc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344182 NABZKYPCYKVXPR-CABCVRRESA-N 350.245 5.134 0 40 FKAB OC1=C2C(=Nc3ncnn3[C@H]2/C=C/c2ccccc2)C[C@H](c2cccs2)C1 102674988 FEOUZZUXPUQAHF-QFTYNREVSA-N 374.469 5.070 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105364024 VBWAQBZDGGCZAO-SRVURFJDSA-N 363.542 5.079 0 40 FKAB biogenic Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1 106704707 PHTREXSLYRNJOG-UNOMPAQXSA-N 367.470 5.019 0 40 FKAB Cc1nc2ccccc2c(NC(=O)c2cc3c(s2)CCOC3)c1C(C)C 191957185 PDUDMYKUJMJURR-UHFFFAOYSA-N 366.486 5.053 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 222873188 ILXWMZMNQXFLFF-DEOSSOPVSA-N 369.464 5.467 0 40 FKAB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222907920 URUKXLRKZFDRHA-QGZVFWFLSA-N 353.531 5.233 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1 225480755 ZBNZMPLKFAFLOC-AWEZNQCLSA-N 367.287 5.026 0 40 FKAB COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1Br 226343509 WVKKBWSNLNCPDX-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1OCc1ccccc1 408586491 NFXIHSFSVFQTGL-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408721108 CWMVCVKSEQLNPW-UHFFFAOYSA-N 369.399 5.202 0 40 FKAB CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccccc1 408833634 RYTFXAMSTYFSTE-UHFFFAOYSA-N 352.459 5.024 0 40 FKAB N=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 408975920 CTQIZNQFDSGOFS-UPCQICKVSA-N 367.232 5.188 0 40 FKAB CCc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 409115266 IDQOVNRQFUSKLP-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CC(C)c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 685759 SMAOSVRPLXDUIF-UHFFFAOYSA-N 364.297 6.584 0 40 FKAB Cc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 696583 BLZZPRWFIKTBGT-MRXNPFEDSA-N 366.408 5.293 0 40 FKAB Cc1cc2cc(C)c(SCC(=O)Nc3ccc(Cl)cc3)nc2cc1C 902904 ICBUMQTUFOIYEP-UHFFFAOYSA-N 370.905 5.544 0 40 FKAB CC1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 1305498 VLAXJQABCXOXRC-UHFFFAOYSA-N 355.791 5.052 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC=C(C)C)cc12 1463692 QHWIHBWWDRRQDW-UHFFFAOYSA-N 350.414 5.622 0 40 FKAB biogenic Clc1cc(C(Cl)(Cl)Cl)nc2ccc(Br)cc12 2564349 MPWQIBGYKXGDAH-UHFFFAOYSA-N 359.865 5.477 0 40 FKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 3050334 AAAWENPFPLZWSK-UHFFFAOYSA-N 360.693 5.169 0 40 FKAB COC(=O)c1cccc(CSc2nc(-c3ccc(F)cc3)cs2)c1 3358127 OJCGRJJMNCLMCS-UHFFFAOYSA-N 359.447 5.028 0 40 FKAB O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1c1cccs1 3981449 NCEBMEMUJLWYHH-QGZVFWFLSA-N 359.903 5.251 0 40 FKAB Clc1ccc(C2=CSC(c3ccccc3)=NN2c2ccccc2)cc1 5165352 VEGVRFVQMQQMMX-UHFFFAOYSA-N 362.885 6.254 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 5630943 IUOVUHKJLLXHLL-OYASFASXSA-N 364.316 6.261 0 40 FKAB Cc1cccc(COc2ccccc2/C=C2\Sc3ccccc3C2=O)c1 6478783 PUCUYEVLZNICIP-HMAPJEAMSA-N 358.462 5.904 0 40 FKAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1Cl 6639430 VAGQHHYJRYTZRI-ZDUSSCGKSA-N 360.885 5.085 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 6857400 CEKMGAYPRBSRPP-UHFFFAOYSA-N 354.321 6.558 0 40 FKAB CCCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 7261011 JWKCOSPBSLUXLH-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB Clc1ccc(COc2ccccc2CNCc2ccncc2)c(Cl)c1 8435777 PSOFHSBIQMLNJG-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(F)cc1 8850036 NHHNKVYYJDRBSQ-CQSZACIVSA-N 353.466 5.196 0 40 FKAB Cc1cccc(-c2cc(-c3ccc(C)o3)nc3sc4c(c23)CCCC4)c1 12539024 ZVJKUOBWQGEEER-UHFFFAOYSA-N 359.494 6.719 0 40 FKAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)c1ccccc1 12810424 AXMZXFSIHAXMOC-UHFFFAOYSA-N 370.477 5.196 0 40 FKAB CC(C)C(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 14831676 JNPHEIFKLSHIQJ-UHFFFAOYSA-N 372.468 5.052 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc(Cl)cc1Cl 16385463 QWXHLTGAFFZJBA-UHFFFAOYSA-N 351.020 5.339 0 40 FKAB c1ccc(-c2nnc(-c3nc4ccccc4nc3-c3ccccc3)s2)cc1 16492109 BSJWLHPNEXELJT-UHFFFAOYSA-N 366.449 5.482 0 40 FKAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3ccccc3Cl)c2C)cc1 17314538 GXMKOMDPFYHXLZ-MRXNPFEDSA-N 367.924 5.361 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNC2CCCC2)cc1 22074271 KJBJDTYPCVFLNV-UHFFFAOYSA-N 350.289 5.605 0 40 FKAB O=C(NCc1csc(-c2ccccc2)n1)c1occc1-c1ccccc1 22976994 VDUFMQAVUDZQLQ-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(N2CCCCC2)cc1 32999899 BCKKMQXGKBKZJB-UHFFFAOYSA-N 370.496 5.525 0 40 FKAB CC(C)c1ccc(CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 45954091 ZRQPWVKTXVYLMA-UHFFFAOYSA-N 358.510 6.699 0 40 FKAB FC(F)(F)c1cnc(NCc2cc(-c3ccccc3)on2)c(Cl)c1 58168341 ZEVDCTRHMLDPOP-UHFFFAOYSA-N 353.731 5.021 0 40 FKAB Cl/C(=C\c1csc(-c2ccsc2)n1)c1nc2ccccc2s1 63277905 YPSICGVSHMCRJF-GHXNOFRVSA-N 360.916 6.218 0 40 FKAB Cc1cc(C)n(Cc2cccc(N[C@H](C)c3ccc(C(F)(F)F)cc3)c2)n1 79030872 DBSDZWOPLYPWFU-MRXNPFEDSA-N 373.422 5.740 0 40 FKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 214377681 BIGQVEYKVQFBRN-WOJGMQOQSA-N 355.434 5.186 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)c1ccccc1 217900135 SZIKNINQMJXVBR-CCEZHUSRSA-N 361.828 5.223 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218932931 IVWVYNDCIAFEEE-UHFFFAOYSA-N 367.489 5.323 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc2ccccc12 223339392 WEBRILLKJPYECT-QHCPKHFHSA-N 359.469 5.515 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2cc(Cl)ccc2OC)c2ccccc2O1 225042433 BEKLMWDBKMPXFV-QGZVFWFLSA-N 373.880 5.161 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccccc1Cl 225109292 MNTLUXFUIBAWCA-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCCC2)cc1 225530931 OCLOQTVEZFMYRD-UHFFFAOYSA-N 367.489 5.181 0 40 FKAB CCc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 899144 URSYTMRCXDFDKG-UHFFFAOYSA-N 361.470 5.155 0 40 FKAB CN(C)c1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)cc1 899608 KALRGHLIJVSXDJ-UHFFFAOYSA-N 355.850 5.338 0 40 FKAB Cc1ccc2c(c1)[C@@H](S(=O)(=O)c1ccccc1)c1ccccc1S2 948672 IERQLVVSMFAARX-FQEVSTJZSA-N 352.480 5.023 0 40 FKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccccc1 3120594 JFQNUYRZIYAXMM-VXKWHMMOSA-N 364.828 5.242 0 40 FKAB FC(F)Sc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 3337481 JTCKHOQYGMGSSN-MRXNPFEDSA-N 364.486 5.365 0 40 FKAB C[C@H](NC(=O)c1ccccc1Br)c1ccc(Cl)cc1Cl 3449307 IVKPUOTVNYWARE-VIFPVBQESA-N 373.077 5.247 0 40 FKAB CCCCc1c2c(nn1-c1ccccc1F)C[C@H](c1ccccc1)CC2=O 3624989 ITAJQJKXYGQVGN-KRWDZBQOSA-N 362.448 5.267 0 40 FKAB Cc1ccc(C)c(Cn2cc(SCc3ccccc3)c3ccccc32)c1 4059732 QYNXSJKXUUJUDU-UHFFFAOYSA-N 357.522 6.599 0 40 FKAB COc1cccc(Sc2nc(SC)nc3c2sc2ccccc23)c1 4092640 DANSUFVVKCFETJ-UHFFFAOYSA-N 370.524 5.726 0 40 FKAB CC(C)CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)n[nH]c1=S 4204915 ZREGWIUUMFVZLB-UHFFFAOYSA-N 374.513 5.869 0 40 FKAB CCCSc1nc(SC)c2c3c(sc2n1)CO[C@](C)(CC)C3 5112075 PMPUNAZLUYREKK-MRXNPFEDSA-N 354.566 5.157 0 40 FKAB CCCCn1c([C@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 5234782 GQUFSXXMRGUTSD-QGZVFWFLSA-N 358.485 6.150 0 40 FKAB CCN(CC)c1nc(/C=C/c2ccccc2Cl)nc2c(OC)cccc12 5453978 HBOVNSLKDZXLPF-BUHFOSPRSA-N 367.880 5.308 0 40 FKAB Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1Cl 10386873 ILGDBENBHJSYJH-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccccc1 14397270 LMGVWMMVDNDJCT-INIZCTEOSA-N 365.860 5.013 0 40 FKAB Cc1cc2nc(-c3ccc(N)cc3Cl)oc2c(Br)c1C 20156883 IHSIGRNPKJBZBX-UHFFFAOYSA-N 351.631 5.110 0 40 FKAB CC1(C)CC(=O)c2c(Nc3ccccc3F)nn(-c3ccc(F)cc3)c2C1 20796671 MXEQHGPNSOJHDO-UHFFFAOYSA-N 367.399 5.049 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(F)cc(F)c1 28210545 QDAMQLNVZVDECN-UHFFFAOYSA-N 359.759 5.663 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1Cc1ccccc1 32962638 FIWPFZMNMJCCBW-UHFFFAOYSA-N 367.448 5.692 0 40 FKAB CC[C@@H](Sc1nncn1CCc1cccs1)c1ccc(Cl)cc1 58065987 UCUJVLCTVVOJFR-MRXNPFEDSA-N 363.939 5.479 0 40 FKAB O=C(Nc1cccc2ccccc12)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344365 IQUJIOCKRJIFGF-ROUUACIJSA-N 356.252 5.889 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1Cl 107023248 PBHGNCRHTOZLQG-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 107039365 IELPQHDLRITOQV-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216821994 YSKYFMYSYXSWJM-UHFFFAOYSA-N 369.244 5.148 0 40 FKAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225077367 RLBMPWGVDUPNGV-OAQYLSRUSA-N 366.844 5.390 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1C 225295259 SPYYVWNDHPRCRW-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB Cc1ccc(COc2cccc(CNc3cccc(Cl)c3C)c2)cc1 409121674 VPRVDYXQRMFAQI-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(C)CCC[C@@]1(C)Oc2ccc(CCC(=O)O)cc2[C@@H]2OCCC[C@H]21 585265546 ILXKXRUVTBSVPC-BVYCBKJFSA-N 360.494 5.149 0 40 FKAB Cc1ccc(-c2cc(NC(=O)Nc3ccccc3)n(-c3ccccc3)n2)cc1 704318 ZLZJUYZFODBLCG-UHFFFAOYSA-N 368.440 5.492 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 849049 PQLCBAFHODBANH-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB O=C(C[C@@H](SCc1ccco1)c1ccc2c(c1)OCO2)c1cccs1 943353 VXNMICHJBFDJOO-LJQANCHMSA-N 372.467 5.317 0 40 FKAB C(=C/c1nc2ccccc2n1Cc1ccc2ccccc2c1)\c1ccccc1 4032340 QZHCUAQDCNNYIG-BMRADRMJSA-N 360.460 6.408 0 40 FKAB CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4562062 HCVTXESBLPDBRY-RVSNTGDXSA-N 370.496 5.915 0 40 FKAB C[C@H]1CC=CC[C@H]1COC(OC[C@@H]1CC=CC[C@H]1C)[C@@H]1CC=CC[C@@H]1C 4578694 WAEPJRAKLSUPKF-UTHFLUAQSA-N 358.566 6.153 0 40 FKAB COc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)C(C)(C)C[C@@H]2C 4740153 XSNNMAXABDSESF-ZDUSSCGKSA-N 358.869 5.673 0 40 FKAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1 4854527 ZRGOKZVFIZCNTF-FQEVSTJZSA-N 365.864 5.087 0 40 FKAB COc1ccc(/C=C/C2=Nc3ccc4ccccc4c3C2(C)C)cc1OC 5305239 FNCKVYZNLUWVPQ-GXDHUFHOSA-N 357.453 5.934 0 40 FKAB C[C@@H](Nc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 5699984 BCRAEWAVXXWURC-CYBMUJFWSA-N 369.262 5.041 0 40 FKAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1cc(C)ccc1C 5952277 KSRWANZXOSXHJM-UHFFFAOYSA-N 351.475 5.027 0 40 FKAB C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 8266049 KXTVBZZEPWFEKS-GFCCVEGCSA-N 354.302 5.104 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Cl)c1 8851377 CSEOMGIMWCVSAY-LLVKDONJSA-N 372.679 5.670 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 9064396 MMDVJFINQAXUGA-UHFFFAOYSA-N 356.897 5.391 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1cccc(Cl)c1 12997232 RVHJVIHONBBVJQ-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 13710773 GVMGGLMKAUWAQV-GOSISDBHSA-N 361.441 5.502 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 14400601 BVWIKZJPFZZUIY-ZDUSSCGKSA-N 365.395 5.409 0 40 FKAB COc1ccc(Cc2c(Cl)nc(SC)nc2Oc2ccccc2)cc1 15584361 OMSRXKPVSCESQQ-UHFFFAOYSA-N 372.877 5.244 0 40 FKAB CCOc1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1OCC 19934188 ZMXMPOQMOKSDBO-UHFFFAOYSA-N 369.505 5.487 0 40 FKAB O=C(Nc1cccc2ccccc12)N(Cc1cccs1)C[C@H]1CCCO1 22357855 XYTOCACRGXVAEX-QGZVFWFLSA-N 366.486 5.114 0 40 FKAB Cc1cc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nc(C)n1 24568847 HMIUAIVBIXGUHV-JOCHJYFZSA-N 373.481 5.291 0 40 FKAB CCN(CC)CCCN[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 31939001 RQPAJRYWENSZNR-AWEZNQCLSA-N 372.167 5.073 0 40 FKAB Nc1cccc(OCCCCCCCCCCOc2cccc(N)c2)c1 35585897 MGJLTWUDKJWNTA-UHFFFAOYSA-N 356.510 5.430 0 40 FKAB CC(C)(C)N(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1 40158668 YKHPHKRSNUBIJD-UHFFFAOYSA-N 355.485 5.584 0 40 FKAB C[C@@H](NCc1cnc(C(C)(C)C)s1)c1ccccc1Br 59180773 KYFPWXTZRCZQDD-LLVKDONJSA-N 353.329 5.054 0 40 FKAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 71326179 QGSKQKPVDXAHLC-UHFFFAOYSA-N 372.852 6.080 0 40 FKAB CCc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 98073276 OALMMXKHGXUBOX-KRWDZBQOSA-N 357.453 5.222 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1Cl 106972268 NYSWIOJDWNCAPP-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(Cl)c1Cl 223460565 MQQSIPRDWAVHOC-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB COc1ccc(C(=O)N2CCC(C)CC2)cc1CSc1ccc(C)cc1 224340277 WBJOVWVEAMASDT-UHFFFAOYSA-N 369.530 5.168 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224610397 HLBUWZMLHVYZST-INIZCTEOSA-N 359.425 5.609 0 40 FKAB CSc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 225016191 SIJAWCBCUNKTGI-UHFFFAOYSA-N 355.887 5.073 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 225508217 POQDMSWJHJCCCR-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB Cc1ccc(CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 225634796 UTHJBUFODUGHII-NRFANRHFSA-N 363.501 5.189 0 40 FKAB CCc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1 225767629 PIPQNYBIYDDLAG-HSZRJFAPSA-N 374.553 5.942 0 40 FKAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c3ccccc23)CCCCC1 225830337 IOUYZHDZTKOJNZ-QGZVFWFLSA-N 369.505 5.695 0 40 FKAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C(F)(F)F 225831169 OSDBLCKBQWWOHA-ACJLOTCBSA-N 373.415 5.028 0 40 FKAB Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(Br)cc1 252017165 WEMHZNKBYVECDZ-UHFFFAOYSA-N 363.255 5.764 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 408629212 QAFKNCBCFAHVCS-UHFFFAOYSA-N 369.420 5.275 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 409001132 URUJXNBIEKSOJH-JFYGMDIOSA-N 369.464 5.835 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3ccc(Cl)cc3Cl)sc2C)cc1C 409042440 MYOLNICYOMZHEI-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB Cc1cccc(NC(=O)COc2ccc(CNc3cccc(C)c3C)cc2)c1 409264237 PYEZZOHDLRDZGE-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB O=C(Nc1c(F)cccc1F)c1ccc(CSc2ccccc2)cc1 409272818 SPBUNMUCZJQJKM-UHFFFAOYSA-N 355.409 5.509 0 40 FKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OC 409368935 SXBQOCPDMBBNHD-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB N[C@H](COc1ccc(F)cc1Oc1cccc(Cl)c1)Cc1ccccc1 2037873307 QELWYIHOYVWTLA-SFHVURJKSA-N 371.839 5.220 0 40 FKAB CCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 633155 CYCZQVFRIZTFHX-UHFFFAOYSA-N 367.452 5.354 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 820602 LXKHQAWZEQQLJN-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)cc1C 1327198 ZAIZNRTYRDAJTF-UHFFFAOYSA-N 365.502 5.021 0 40 FKAB Cn1c(SCc2cccc3ccccc23)nnc1-c1cccc(Cl)c1 2213660 JNLHTWDLSBNSBI-UHFFFAOYSA-N 365.889 5.581 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3Cl)ccc21 2632327 LVSAAWCRCRVMGV-UHFFFAOYSA-N 362.860 5.649 0 40 FKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2cccc(F)c2)n1 2733478 VCVIVVVVAYPVHK-UHFFFAOYSA-N 374.415 5.363 0 40 FKAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc1C 3101261 LFRFHRAPTRZLRI-YVLHZVERSA-N 372.877 5.063 0 40 FKAB CN(C)c1cccc(NC(=O)c2cc3sc4ccccc4c3s2)c1 3185473 NQGQGXHUGSMUNL-UHFFFAOYSA-N 352.484 5.434 0 40 FKAB O=C(Nc1ccccc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 3230793 BTEDEMDVLUJLNB-UHFFFAOYSA-N 374.827 5.081 0 40 FKAB Cc1ccc(NC(=O)[C@H](NCc2ccccc2)c2ccccc2)cc1Cl 3346781 DARFDQLIIJEBIT-OAQYLSRUSA-N 364.876 5.118 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1 3900829 XPUBUHIUUWTNML-UHFFFAOYSA-N 356.450 5.729 0 40 FKAB aggregator O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccs1 3900841 IYYXLBPJIUPROM-UHFFFAOYSA-N 362.479 5.791 0 40 FKAB aggregator O=C(Nc1ccccc1-c1nc2ccccc2o1)c1cccc2ccccc12 4135301 SAJGAEFGTFPDCO-UHFFFAOYSA-N 364.404 5.900 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 4675975 PYUNWEMNQUTQNK-KRWDZBQOSA-N 354.494 5.064 0 40 FKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl 4695575 DDFRKKAGIVUBKE-UHFFFAOYSA-N 364.150 5.273 0 40 FKAB CNC(=S)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5566436 CUYWDTWVIMXGQV-UHFFFAOYSA-N 355.526 5.550 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Oc1ccc(C(=O)c2ccccc2)cc1 6052375 AVVCJSVVZGYLIU-UHFFFAOYSA-N 374.480 5.430 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 6378332 QYEAKNBRGVEHSZ-UHFFFAOYSA-N 358.265 5.644 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2c(C)cccc2s1 7063164 JJVDSQHJDLMCLS-UHFFFAOYSA-N 374.893 5.364 0 40 FKAB CC(C)COc1ccc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)cc1 7603157 OHDNPEIODFJNRM-WOJGMQOQSA-N 369.442 5.080 0 40 FKAB Clc1ccc(-c2cnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1 7904853 OWZGRPHNSVXGCD-UHFFFAOYSA-N 372.881 5.091 0 40 FKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1 8071083 GYKKXPPLADYJDC-UHFFFAOYSA-N 362.351 5.293 0 40 FKAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1c[nH]c2ccccc12 12875955 RFRXHGGURIYTRI-UHFFFAOYSA-N 361.272 5.066 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 13709630 ZBJMFJLKPXLIEQ-OAHLLOKOSA-N 367.832 5.538 0 40 FKAB Fc1ccccc1CCNCc1ccccc1OCc1ccc(Cl)cc1 16449559 ACFFBLBHZQFPIB-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1ccc2c(c1)CCCN2C(=S)Nc1ccccc1C(F)(F)F 17072698 SJXBEIBZVAZCFZ-UHFFFAOYSA-N 350.409 5.163 0 40 FKAB CCCCC/C=C\C/C=C\CCCCCCCC1=N[C@@](CC)(CO)CO1 17148020 XAJXPLMBNBLPIW-VGKWPVBQSA-N 363.586 6.370 0 40 FKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccccc3)c1-2 18006823 DQUZADZZOGUXFF-VZCXRCSSSA-N 368.527 5.768 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(C)cc1C 20041821 VROSTPNKRYMLLB-GCJKJVERSA-N 361.485 5.491 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 28635255 PGNKDLKXUMDFNW-UHFFFAOYSA-N 372.468 5.591 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NC1CCC(c2ccccc2)CC1 35316307 JAIMCRRHMZCMCC-IOTAOYMUSA-N 366.332 5.420 0 40 FKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12 58161212 DSKLDSCRKRFHKC-UHFFFAOYSA-N 366.464 5.158 0 40 FKAB O=C1CC[C@@H](Sc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 65090575 AVBBTMMRNYBDIZ-GGAORHGYSA-N 359.494 5.716 0 40 FKAB Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 67297454 OTNHYZBROGQLOG-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB Cc1ccccc1NC(=O)c1sc(Nc2ccc(Cl)cc2)nc1C 67322097 GQPHONJHWQOETC-UHFFFAOYSA-N 357.866 5.409 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc(Cl)cc2Cl)C1 101004689 OTBFWMJIFLSYBW-YVEFUNNKSA-N 357.350 5.591 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 222594873 ZKIFGHNTELODBJ-KRWDZBQOSA-N 351.490 5.403 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1Br 222659312 BVKXWCHFLLWWHG-UHFFFAOYSA-N 354.247 5.174 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1 223020582 MFZZDQLFRJHOAS-LJQANCHMSA-N 361.869 5.232 0 40 FKAB C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223243793 GYLWGMSXLQZKJL-OAHLLOKOSA-N 373.949 5.578 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)on1 224063772 QQEHMRZURSCHBW-UHFFFAOYSA-N 370.408 5.173 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224935754 MORCCHKCOKOLPZ-HXUWFJFHSA-N 372.896 5.045 0 40 FKAB CCOc1ccc(NC(=S)NCCCSCc2ccccc2C)cc1 225600217 OPYATMRXIVVCMQ-UHFFFAOYSA-N 374.575 5.004 0 40 FKAB CCC1(NC(=S)Nc2ccc(Br)c(Cl)c2)CCCC1 225859893 CXIUYCQKOHQKKH-UHFFFAOYSA-N 361.736 5.112 0 40 FKAB Cc1cccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc12 226035693 SFKVUQPZHSDHBT-UHFFFAOYSA-N 371.392 5.146 0 40 FKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccs1 408529787 OQJLBEQIOZARHV-UHFFFAOYSA-N 374.421 5.217 0 40 FKAB O=C(Oc1ccccc1)c1ccccc1OC(=O)c1cccc2ccccc12 682433 FHYFKGPIXNPQBT-UHFFFAOYSA-N 368.388 5.278 0 40 FKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)C(C)C)c3ccccc32)cc1 725672 FLVLTOHYQMUFEE-QHCPKHFHSA-N 351.490 5.173 0 40 FKAB CCc1ccc2nc(SCC(=O)Nc3ccccc3CC)c(C)cc2c1 881210 FTDIBGJOJUTDRI-UHFFFAOYSA-N 364.514 5.399 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)C1 1061255 FGVNBFBHDQJLES-JTQLQIEISA-N 364.392 5.627 0 40 FKAB Fc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)c1 1105447 KXQGPDQJFKWJES-UHFFFAOYSA-N 371.462 5.079 0 40 FKAB O=C(Nc1cccc(Cl)c1)N1c2ccccc2S[C@H]1c1ccco1 1572404 YWZMEMJWPYVWBP-KRWDZBQOSA-N 356.834 5.776 0 40 FKAB Clc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 1827167 JXZJOJLNOREGJE-UHFFFAOYSA-N 353.252 6.058 0 40 FKAB Cc1ccc(-c2csc3nc(-c4cccc5ccccc45)oc(=O)c23)cc1 2325400 RFEBGTWSTSJGND-UHFFFAOYSA-N 369.445 6.045 0 40 FKAB c1ccc(-c2ccc([C@@H]3C[C@@H](c4cccs4)n4ncnc4N3)cc2)cc1 2500008 UZHQQAPURLTEFW-OALUTQOASA-N 358.470 5.153 0 40 FKAB O=C(Nc1ccccc1Br)C(c1ccccc1)c1ccccc1 2565347 SGSUKSZFFVKPTJ-UHFFFAOYSA-N 366.258 5.220 0 40 FKAB Cc1ccc(NC(=S)Nc2ccccc2Cc2ccccc2)cc1Cl 2648095 KSZOENLUCQKHNM-UHFFFAOYSA-N 366.917 6.048 0 40 FKAB C[C@H]1CCCC[C@@H]1NC(=O)CCN1c2ccccc2Sc2ccccc21 2654809 BGDUSTBQAHCQIL-IRXDYDNUSA-N 366.530 5.374 0 40 FKAB Cc1cccc(C)c1N(C(=O)c1ccncc1)c1nc2ccccc2s1 2726339 XUSWBFINPDQOTP-UHFFFAOYSA-N 359.454 5.287 0 40 FKAB O=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 5125400 FJLJZHZLKZABLY-RBNVVWFDSA-N 368.436 5.406 0 40 FKAB Cc1cccc(OCc2nnc(SCc3cccc4ccccc34)o2)c1 5293896 FLSYGVYRGPAUEE-UHFFFAOYSA-N 362.454 5.403 0 40 FKAB COc1ccc2nc(/C=C/c3ccc(Br)cc3)cc(Cl)c2c1 5351845 WIJNKHAATYJIQQ-QPJJXVBHSA-N 374.665 5.830 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 5990119 IGQWEYHEBDTWOE-UHFFFAOYSA-N 369.493 5.806 0 40 FKAB Cc1ccc(C(C)C)c(OCCCn2c(-c3ccco3)nc3ccccc32)c1 6752656 OTZNMBAZKCFDQE-UHFFFAOYSA-N 374.484 6.197 0 40 FKAB O=C(CCSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1F 7686303 YSRZKJUVAUWCDI-UHFFFAOYSA-N 358.265 5.395 0 40 FKAB CC(C)CCC[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9053282 FFSWBVLUSJARGB-OAHLLOKOSA-N 355.507 5.032 0 40 FKAB CCCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 9066213 PMHJQFULTQFOHF-UHFFFAOYSA-N 373.309 5.612 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12517252 DMNOFMBFGBHPNM-CQSZACIVSA-N 351.475 5.301 0 40 FKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1C 12620227 RPRNNVITQGHJSV-UHFFFAOYSA-N 372.493 5.295 0 40 FKAB COc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccccc3C)c1-2 13764948 CCERHWGCGAJBTE-VZCXRCSSSA-N 368.527 5.687 0 40 FKAB C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15085196 NLMOBQMMOIAEES-QMTHXVAHSA-N 365.420 5.366 0 40 FKAB CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 18238719 MNDSQFWOLIBSEF-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(C(C)C)cc2)on1 19120904 IOFOJJBCDASHQU-FQEVSTJZSA-N 364.493 5.224 0 40 FKAB Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1 26964354 JFURPKJUOWSVOZ-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB CC(=O)c1c(N)c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn12 28616645 DMSULWWPGOAWAL-UHFFFAOYSA-N 367.861 5.168 0 40 FKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 32622698 GHVIMHYZGJSGPK-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB C[C@@]12CC3CC(NC(=O)c4sc5ccccc5c4Cl)(C1)C[C@](C)(C3)C2 41107618 SCKPRLCZDGUWQN-SWOGZVPRSA-N 373.949 6.034 0 40 FKAB Cc1cc(Br)ccc1NC(=O)Nc1ccccc1C(F)(F)F 51354244 AFZDLMVVCQCLHK-UHFFFAOYSA-N 373.172 5.420 0 40 FKAB CCOP(=O)(OCC)[C@H](NC1CCCCC1)c1ccc(Cl)cc1 65090430 HXEANZFZHCQFHA-KRWDZBQOSA-N 359.834 5.527 0 40 FKAB Cc1ccc(C)c(CSC2=NC3(CCCCC3)Nc3ccccc32)c1 67341477 XGCDKAKFJZIFLB-UHFFFAOYSA-N 350.531 6.069 0 40 FKAB CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213560 VVKJABXTCUZHES-FXAWDEMLSA-N 367.493 5.156 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H]1O[C@@H](O[C@@H]3C[C@@H]4[C@@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@H]21 100939476 VUDXCBLBKXFCNA-GOSDYZFQSA-N 374.565 5.378 0 40 FKAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC 224695439 KWBSJUDWOUCREL-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(Cl)cc2)c1 225602923 JKCYNCOTLBOTNQ-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)cc1 1360013 CQQWMCVBFRPQSA-SFHVURJKSA-N 369.509 5.002 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 2069852 MSYWLAIENKVANG-OAHLLOKOSA-N 366.933 5.271 0 40 FKAB Cc1cc2oc(=O)cc(C)c2c2occ(-c3ccc(-c4ccccc4)cc3)c12 2092706 RUVQWYHRXHJPTN-UHFFFAOYSA-N 366.416 6.490 0 40 FKAB biogenic Cc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 2247496 CILIRNSJTNANQY-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1 2625355 DAZSTPRTUDRDJN-UHFFFAOYSA-N 350.123 5.144 0 40 FKAB COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4377764 IOLLDEUCCRXJPD-UPVQGACJSA-N 354.453 5.223 0 40 FKAB CCCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 4554520 DGUSEXPZVSOEHN-UHFFFAOYSA-N 359.878 5.882 0 40 FKAB O=C(CCNc1ccc(Cc2ccncc2)cc1)c1ccc2ccccc2c1 4622913 XDLKJRJEVDVDHI-UHFFFAOYSA-N 366.464 5.511 0 40 FKAB O=C(c1sc2ccccc2c1Cl)N(c1ccccn1)C1CCCCC1 4868176 RYKPHSWFXOLKRR-UHFFFAOYSA-N 370.905 5.929 0 40 FKAB Cc1cc(Nc2cc(Cl)cc(Cl)c2)n2ncc(-c3ccccc3)c2n1 5206106 QPJLJHYFKLUSFK-UHFFFAOYSA-N 369.255 5.755 0 40 FKAB Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1 5256072 SFNTUPHAGIRUKW-FQEVSTJZSA-N 365.864 5.087 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 5657604 QTXALPWJABOFDY-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB CC(C)CCN(CCC(C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 6650822 IARSDDPTUMWDSN-OAHLLOKOSA-N 374.352 5.682 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2)N3)C1 6906275 SXHAKQLTSBVHCG-XAOZXZMCSA-N 366.530 5.669 0 40 FKAB CN(Cc1c(F)cccc1Cl)c1nc(C(F)(F)F)nc2ccccc12 7989559 QQHCITBWHSVNFD-UHFFFAOYSA-N 369.749 5.078 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc1 9660021 MHMODENHPSUJHI-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB biogenic C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 10111744 YTMWVVCIYXRZQO-WAFWZSCLSA-N 363.545 6.172 0 40 FKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 11612197 IOLIGIWPLLWKFK-UHFFFAOYSA-N 371.845 5.107 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)N1c2ccccc2Sc2ccccc21 13717231 MNLRWCNPRDDTFH-UHFFFAOYSA-N 354.381 5.800 0 40 FKAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCSc2ccc(Cl)cc21 14251212 STIZTMPULGCKKN-OAHLLOKOSA-N 370.276 5.028 0 40 FKAB CCc1ccccc1NC(=O)c1ccccc1SCc1cc(C)no1 15192324 XNBGFKKWCARJDG-UHFFFAOYSA-N 352.459 5.090 0 40 FKAB C[C@H](Nc1nc2ccccc2nc1N[C@H](C)c1ccccc1)c1ccccc1 16778548 VWOHMLSLHIFAMF-HDICACEKSA-N 368.484 5.976 0 40 FKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1 20367867 JUJIXGHHQKSUHP-FQEVSTJZSA-N 359.404 5.386 0 40 FKAB CC1(C)CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3ccccc3)c2C1 20672033 JGIWOVVMRYVNJU-UHFFFAOYSA-N 365.864 5.424 0 40 FKAB Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c(C)c1 22258387 GAIHQEYFGPSDBA-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 30862869 AMTDVWRKJARRJN-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 32692254 QQSHTXLGWZJYTL-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB Cc1nc(S[C@@H](C)C(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 32945184 OYMRWQYLUSKFPR-LBPRGKRZSA-N 368.527 5.242 0 40 FKAB CC1(C)[C@@H](C(=O)NC2CCC(c3ccccc3)CC2)[C@@H]1C=C(Cl)Cl 35316306 JAIMCRRHMZCMCC-UNGSAITNSA-N 366.332 5.420 0 40 FKAB O=C(Nc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F 41111120 RBFQDBSUNATFPN-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB O=C(/C=C/c1c(F)cccc1F)Oc1ccc(C2SCCS2)cc1 58393554 OOEWTWMFYRJKJG-CMDGGOBGSA-N 364.438 5.062 0 40 FKAB CCSc1ccccc1NC(=O)c1sc2cc(C)ccc2c1Cl 80345863 GRTDYNCUWMSYSB-UHFFFAOYSA-N 361.919 6.227 0 40 FKAB COc1ccc(C(=O)CCc2ccc(-c3cccc(Cl)c3)o2)cc1F 199766866 BGNBNYFNDGTGHU-UHFFFAOYSA-N 358.796 5.563 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 222896069 MKHQWAWQYNFBSY-VXKWHMMOSA-N 353.506 5.310 0 40 FKAB CC(C)C[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1 225495152 KPUXYWPYKPCIKW-HXUWFJFHSA-N 356.535 5.548 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 225497080 LHTOQDWADSMFAP-NRFANRHFSA-N 370.562 5.892 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(C)C)cc1)CC(C)(C)O2 225672527 SLOQMWRFZNWFBJ-LJQANCHMSA-N 368.546 5.707 0 40 FKAB CC(C)c1nccc(-c2ccc(F)cc2O)c1C[C@H](C[C@@H](C)O)C(C)C 669371050 SPPKDGPRXOXIPQ-CVEARBPZSA-N 359.485 5.302 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1Cl 642725 CGHUBQFMBGYJTN-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 645140 QKINNFPXNUDIOY-UHFFFAOYSA-N 352.459 5.009 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 675106 MIUKVLRUZAJKTR-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 993508 BYHVBOKYMMJGHU-PRHODGIISA-N 353.076 5.523 0 40 FKAB Cc1cccc(C)c1NC(=O)c1sc2nc3c(C)cccc3cc2c1N 1223903 LJJFMRYCQBHOGU-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB CC(=O)N(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1 1680964 NSJZXWDHGFQEMV-UHFFFAOYSA-N 371.436 5.214 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)cc1OC 1934685 RNGALUCKCNMBMK-NTUHNPAUSA-N 353.462 5.259 0 40 FKAB Cc1cccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 2298059 SCMHXYZZOADAJN-UHFFFAOYSA-N 354.388 5.083 0 40 FKAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccs2)n1 2402960 ZBGMQJPUYUBZBH-UHFFFAOYSA-N 369.833 5.189 0 40 FKAB aggregator Clc1ccc(CSc2ncnc3c2oc2ccccc23)c(Cl)c1 2415757 ZKSHEVPSHGWHEB-UHFFFAOYSA-N 361.253 5.975 0 40 FKAB Cc1cc(Br)ccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 3430997 CVTJOJBCRRNLOC-UHFFFAOYSA-N 373.077 5.246 0 40 FKAB CC(C)(C)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 3616833 XYVAKIHDDZYPEK-UHFFFAOYSA-N 359.469 5.706 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccccc1Cl 4129080 FMLTTXTUNXGTBH-UHFFFAOYSA-N 364.788 5.106 0 40 FKAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)o1 4248218 NXQMCDKMHWMAFT-NSHDSACASA-N 362.863 5.048 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)cc2)N3)C1 4545695 LSQXESBPHLZBOI-UGSOOPFHSA-N 370.518 5.424 0 40 FKAB Cc1ccc(C)c(-c2nc(C(=O)c3ccccc3)c(-c3ccccc3)s2)c1 5600102 YTCXEKGWDQKMKO-UHFFFAOYSA-N 369.489 6.325 0 40 FKAB COc1ccccc1-c1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 7846115 RQZKVRBZMWVOGD-UHFFFAOYSA-N 364.470 5.545 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1(c2ccccc2)CCCC1 10372787 YZZVVCYAGGELEQ-UHFFFAOYSA-N 353.465 5.708 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)c2sc(-c3cccs3)nc2C)cc1 11173327 WMKLFSJTCFRJET-GFCCVEGCSA-N 372.515 5.070 0 40 FKAB O=c1[nH]c(Oc2ccc(-c3nc4ccccc4s3)cc2)cc2ccccc12 12891073 RVTKZWGYKMDQBW-UHFFFAOYSA-N 370.433 5.597 0 40 FKAB CCOc1ccc([C@@H]2N(CC)c3ccccc3-c3nc4ccccc4n32)cc1 13777181 WDECPZMLABWVLO-XMMPIXPASA-N 369.468 5.489 0 40 FKAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1Cl 13815195 CJGTYYCXTCJFGA-UHFFFAOYSA-N 363.672 5.273 0 40 FKAB CCOc1ccc([C@@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1OCC 16317309 WUQBVTSXERUZQM-MRXNPFEDSA-N 372.534 5.148 0 40 FKAB Cc1ccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)cc1Cl 17120879 UJOGROGGFKVHGZ-UHFFFAOYSA-N 367.884 5.080 0 40 FKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1 32109782 JSIYDWTZNGDBJQ-SXGWCWSVSA-N 361.850 5.353 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)N[C@H](C)CO 33838751 SQKRUBZPTNJQEM-YUQOLXQZSA-N 361.570 5.629 0 40 FKAB in-vitro C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127142 VGVTZDFTRYBQKM-CQSZACIVSA-N 368.864 5.092 0 40 FKAB CCN(C(=O)c1cc(Br)cn1CC)c1cccc2ccccc12 59254430 ATLQTGHNEPEJBH-UHFFFAOYSA-N 371.278 5.090 0 40 FKAB CC(C)Oc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 75154765 KIRBSBSTRFMLIW-UHFFFAOYSA-N 369.486 5.013 0 40 FKAB Cc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 96621735 IAJMEDYEEYXWBX-UHFFFAOYSA-N 359.469 5.454 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)N5CCCCC5)(C4)C2)C3)cc1 100864060 VZVYDAPKBVAXFQ-LMHXZZLNSA-N 351.534 5.236 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 224114563 SSFFXHJFPNNDAD-UHFFFAOYSA-N 366.141 5.333 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(SC)c1 224312234 QQFZZTTZOBSMIQ-HXUWFJFHSA-N 355.503 5.083 0 40 FKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 409120739 SLROIJBAZNPUEZ-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB Fc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1 409197193 YDNKLCAQBJPNCR-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB Fc1cccc(Cc2ccc([C@@H]3CCCN(CCc4ccccc4)C3)nc2)c1 585176607 QIQVTFGRBAROBW-HSZRJFAPSA-N 374.503 5.234 0 40 FKAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 670896 JBYCDJGBVRZXIW-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB Clc1ccc(Cn2c(-c3cccs3)nc3ccccc32)c(Cl)c1 1427466 XUPJTPKBUBJENW-UHFFFAOYSA-N 359.281 6.120 0 40 FKAB C[C@H]1CCCC[C@H]1NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2 2073050 FTCPIVITLHZQEE-HRAATJIYSA-N 370.496 5.309 0 40 FKAB Clc1ccc2nc(SCc3ccccn3)nc(-c3ccccc3)c2c1 2710334 NSMKXPUJIPVXPL-UHFFFAOYSA-N 363.873 5.638 0 40 FKAB Cc1ccc(-c2nnc(N3CCc4ccccc4C3)c3ccccc23)cc1C 3165881 AHLPJLQFRXEDER-UHFFFAOYSA-N 365.480 5.476 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl 3329962 OEPNFCIVWALELJ-UHFFFAOYSA-N 350.028 5.657 0 40 FKAB O=c1c2c3c(sc2nc(-c2ccccc2)n1Cc1ccccc1)CCCC3 4065804 WZFMSNIKPXEQRV-UHFFFAOYSA-N 372.493 5.052 0 40 FKAB Cc1ccc(COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2)cc1 4340411 YUMCIFCFODFYEB-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB biogenic CC(C)Sc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C(C)(C)C)C3 4847507 ZZBWPFJRSALLSF-ZDUSSCGKSA-N 360.592 6.220 0 40 FKAB CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Cl)cc1 4893298 AASFWNMTGDGROB-UHFFFAOYSA-N 357.866 5.063 0 40 FKAB CCN(CC)C(=S)S[C@@H]1CSc2sc(=S)sc2S1 5452946 VHQBTHLZILRAFF-ZCFIWIBFSA-N 371.690 5.423 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 6305851 LMXQTHSRAGWZEH-UHFFFAOYSA-N 372.449 5.418 0 40 FKAB CC(=C/c1ccccc1)/C=C1/SC(Nc2ccc3ccccc3c2)=NC1=O 6854934 QZDAVWBTFBCETQ-DWGFUGGISA-N 370.477 5.869 0 40 FKAB CCc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCC2)cc1 6870948 IQZPQMBAQWGAFK-UHFFFAOYSA-N 354.881 5.174 0 40 FKAB CCCCN(C(=O)c1cccnc1SC)c1nc2ccc(C)cc2s1 7777584 NPXFKQBPSRCLME-UHFFFAOYSA-N 371.531 5.169 0 40 FKAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2Cl)o1 7987589 MBEUMZDGVPPKCU-CYBMUJFWSA-N 355.821 5.100 0 40 FKAB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)c1 8368010 QCEDWACGSLKHSA-ZVHZXABRSA-N 359.425 5.331 0 40 FKAB Cc1ccc(C)c(-n2cnnc2SCC(=O)c2cccc3ccccc23)c1 8428428 RCZJGPXEKJSULW-UHFFFAOYSA-N 373.481 5.012 0 40 FKAB COc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc12 9058605 APNDPTGDBYLUDY-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB FC(F)(F)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 12631828 CCIXPABRHVUFLN-UHFFFAOYSA-N 364.370 6.430 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1csc(-c2cccs2)n1 12972878 XPOLGCPCFRVVBA-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC=C(c2ccc(O)cc2)CC1 13016235 IAWOGEXHIPJKFV-UHFFFAOYSA-N 363.244 5.020 0 40 FKAB Nc1nc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cs1 13213495 WRFYXZDYESEFNY-UHFFFAOYSA-N 352.850 5.338 0 40 FKAB CSc1ccc(/C=C/C(=O)Nc2ccccc2-c2cccs2)cc1 14018521 RXIBDYWNJUGXKH-JLHYYAGUSA-N 351.496 5.789 0 40 FKAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cc(Cl)cc(Cl)c1 14244691 KCNUANLOYZPPJX-VIFPVBQESA-N 367.257 5.254 0 40 FKAB CCCc1nnc(-c2cc3ccccc3n2Cc2cccc(Cl)c2)o1 15881481 BVVWGYMREYSOIC-UHFFFAOYSA-N 351.837 5.346 0 40 FKAB Cc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1C 16842905 DJLYMOWPFAAQTI-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 17086062 JGMLVNJJJKURTE-ANRSDYALSA-N 367.301 5.034 0 40 FKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1Cl 18284460 XVTAISUDIZPKNF-RQZCQDPDSA-N 368.845 5.058 0 40 FKAB COc1cc2ccccc2cc1C(=O)NCc1ccc(Cl)cc1Cl 20037555 UWVWCVASHJRSDS-UHFFFAOYSA-N 360.240 5.085 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20238753 ZGLXTXMCWYZPIG-NSHDSACASA-N 373.827 5.619 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 20459824 PJMMBSWVQRXGHX-FZKQIMNGSA-N 363.910 5.097 0 40 FKAB Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(Oc3ccccc3)cc2)c1 59472461 IYBXPZWTOZSHGA-UHFFFAOYSA-N 370.408 5.338 0 40 FKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 67259431 XIKRLKAKBSYVBC-UHFFFAOYSA-N 362.498 5.447 0 40 FKAB Cc1ncc(CNc2cc(C(F)(F)F)ccc2N2CCCCC2)s1 97032001 SXIDMAPUICPMFX-UHFFFAOYSA-N 355.429 5.073 0 40 FKAB COc1ccc(/N=c2/ssc3c2-c2ccccc2NC3(C)C)cc1 100940114 CWKOCHYUEWCDPW-CZIZESTLSA-N 354.500 5.378 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118930675 CUFSHWXGVRHVRN-OEZMLBAFSA-N 360.538 5.166 0 40 FKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1Cl 214095880 QXAREJHWQSQRMN-YIERNNEGSA-N 355.846 5.133 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 223001027 LXAIATZBPXIVMB-VXKWHMMOSA-N 353.506 5.345 0 40 FKAB Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1ccccc1 225180468 AWSQQVDTJLCVED-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB Cc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226342766 AHFBJKKJJNBLJI-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB O=C(NCc1ccc(-c2ccoc2)cc1)C1(c2cccs2)CCCC1 390832347 YVGYNUCGNJZENY-UHFFFAOYSA-N 351.471 5.136 0 40 FKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409011072 LXGFHEWAWWXXQE-DQPIFXJKSA-N 367.470 5.100 0 40 FKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)c2ccccc21 409112602 FCSVLOPGMCURPI-JWGURIENSA-N 355.437 5.173 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Sc1nc2cc3ccccc3cc2[nH]1 409390890 GDWKSHNIKKFSGE-UHFFFAOYSA-N 352.846 5.231 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1 848914 JOPSSNSSYQMGCY-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC1(C)CN=C(N(C(=O)Nc2cccc(Cl)c2)C2CCCCC2)S1 1036965 DWXKJLVULVJTGC-UHFFFAOYSA-N 365.930 5.388 0 40 FKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 1438155 MBWFIMQXLZAZIL-NRFANRHFSA-N 357.482 5.235 0 40 FKAB O=C(COc1c(Cl)cc(Cl)c(Cl)c1Cl)NC1CCCCC1 1693575 FTUHROOCYOPNJT-UHFFFAOYSA-N 371.091 5.128 0 40 FKAB COC(=O)[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 1731826 IWDPYZNNLCDDAW-FYYLOGMGSA-N 358.437 5.000 0 40 FKAB COc1ccc(OC)c(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 3182314 BEPKXCRUPQPXNQ-UHFFFAOYSA-N 369.505 5.551 0 40 FKAB Clc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3211241 BZGSCMZTEYACIZ-PMACEKPBSA-N 360.848 5.231 0 40 FKAB Cc1nc(Oc2ccc(F)c(Cl)c2)c2c3c(sc2n1)C[C@@H](C)CC3 3284850 WUDMXOSVUHFWNU-VIFPVBQESA-N 362.857 5.709 0 40 FKAB O=C(/C=C/c1cccs1)Nc1nc2c(cc3c4c(cccc42)CC3)s1 4176281 FZLDVBMKCJKJES-CMDGGOBGSA-N 362.479 5.262 0 40 FKAB Cc1ccccc1NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971316 YANKVNDCTKHQGS-UHFFFAOYSA-N 364.445 5.451 0 40 FKAB Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3ccccc3F)cc2)o1 5002006 ZCRVCFMKEQSMHD-UHFFFAOYSA-N 362.360 5.301 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(Cl)c1 5701903 AFFRJGXRXRZTKD-AATRIKPKSA-N 356.636 5.307 0 40 FKAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(C)cc2)cc1 6870306 DYSRVXKMIYIYQI-UHFFFAOYSA-N 364.489 5.056 0 40 FKAB Cc1ccc2occ(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 8611941 ITDBTWNPPXDUPV-UHFFFAOYSA-N 367.754 5.595 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 14792906 YKUUNZKEKXHNLS-GOSISDBHSA-N 372.468 5.047 0 40 FKAB O=C(NC1CCCCC1)c1ccccc1CSc1nc2ccccc2o1 16025726 UFPBKXPCKPPXNX-UHFFFAOYSA-N 366.486 5.183 0 40 FKAB Cc1cc(NC(=O)[C@@H](Sc2ccc3ccccc3c2)c2ccccc2)no1 16816862 XYWYDZHALIRTKU-NRFANRHFSA-N 374.465 5.608 0 40 FKAB CN(C)c1ccc([C@@H]2[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 17111604 YEQWUTURGFFZLM-QHAWAJNXSA-N 365.860 5.379 0 40 FKAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c(C)n1 19524558 QCHUNCXZVBBTPT-GOSISDBHSA-N 370.522 5.045 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 20107653 FNJOOIYQHIJEGG-OALUTQOASA-N 359.922 5.405 0 40 FKAB Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn23)c1 35616536 FQGVYHPAMVIGCF-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1Cl 38849699 ASYUVORZLPVCRY-HNNXBMFYSA-N 356.897 5.133 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1cc(Cl)ccc1Cl 44781903 LMVCCOOKOWFKOL-UHFFFAOYSA-N 355.224 5.880 0 40 FKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C)c1 57316090 IMXRRTGKCPRZIB-DTQAZKPQSA-N 374.484 5.753 0 40 FKAB O=C(CCc1ccccc1F)Nc1nc(-c2c[nH]c3ccccc23)cs1 58393406 CLRHXRZGULEPLA-UHFFFAOYSA-N 365.433 5.002 0 40 FKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c(C)noc1-c1ccccc1 95939703 VRTLOWYDVPVPHQ-CQSZACIVSA-N 370.836 5.018 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(C(C)C)cc4)oc3c2)cc1 98086874 PWBRXVHZBYCXOU-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 100003749 GTJATSCGEHUKEH-OYRHEFFESA-N 364.529 7.068 0 40 FKAB CC1(C)CC2=Nc3onc(C(C)(C)C)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 102736023 XUFFZNMCCMSJLU-INIZCTEOSA-N 366.461 5.528 0 40 FKAB Cc1cc(Cl)ccc1OCC(=O)OCC[C@H]1CC[C@@H]2C[C@@H]1C2(C)C 104176534 WREMQSJLLUEZTM-INMHGKMJSA-N 350.886 5.033 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCC(=O)O 104850214 YLEARPUNMCCKMP-CGRWFSSPSA-N 361.526 5.333 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225718249 IGKFCAMJNZOOLM-ZHRRBRCNSA-N 361.526 5.406 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ccccc12 225826017 NLOMNTKXOZTDCK-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CC1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 408577281 SEUFXNJQEBBNQN-UHFFFAOYSA-N 359.922 5.326 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 408629327 XBQWWZFMPKMNOG-GOSISDBHSA-N 366.505 5.497 0 40 FKAB Fc1ccc(CSc2nnc(COc3cccc4ccccc34)o2)cc1 875900 LTUSWJLUQONKFF-UHFFFAOYSA-N 366.417 5.233 0 40 FKAB C[C@H]1CCc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)csc2C1 1454231 YLMKCGFZRHQBET-JTQLQIEISA-N 355.381 5.024 0 40 FKAB Cc1nn2c(NCc3ccccc3)cc(C(C)C)nc2c1-c1ccccc1 2214644 ULGRNDQCXYOILY-UHFFFAOYSA-N 356.473 5.440 0 40 FKAB CCc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 2247843 IUHNZAXGPRYHFO-UHFFFAOYSA-N 356.454 5.260 0 40 FKAB O=C(Nc1cccnc1Cl)c1sc2cc(Cl)ccc2c1Cl 2767836 APBVPYKZDALURC-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB Fc1ccc2c(c1F)n1c3c(c(-c4ccc(Cl)cc4)cn23)CCCC1 3213503 QZYCAVUYFVRBQO-UHFFFAOYSA-N 356.803 5.829 0 40 FKAB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2Cl)cc1 3256150 IBZOXMLAOIOPCN-UHFFFAOYSA-N 364.828 5.236 0 40 FKAB COc1ccc(/C=C(\CCCN2CCCCC2)c2ccc(OC)cc2)cc1 3844254 ZXYRJSONMMEXEV-ZBJSNUHESA-N 365.517 5.511 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 3845755 RQNYQAQPXXMMQI-BVYCBKJFSA-N 350.502 5.823 0 40 FKAB biogenic COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)cc1 3909921 PVJLJRYYBHRPMJ-UHFFFAOYSA-N 363.848 5.715 0 40 FKAB O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)C1CC1 4722443 QNDHPPUPUBBKKH-UHFFFAOYSA-N 374.227 5.059 0 40 FKAB CCc1ccccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc12 5563009 XPLIHFOJKBOPLX-UHFFFAOYSA-N 372.424 5.366 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(Br)cc1F 6455936 LNKGROIORAMNBT-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc2ccccc2c1 8127092 LYGGGMNDRGRIHY-CQSZACIVSA-N 370.855 5.091 0 40 FKAB C[C@@H](NC(=O)c1ccccc1Nc1nc2ccccc2o1)c1ccccc1 8194602 XWRWVVUUPDLTMJ-OAHLLOKOSA-N 357.413 5.062 0 40 FKAB Cc1nc2cc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)ccc2o1 8314292 YUZDPESLSARNEY-OAQYLSRUSA-N 374.465 5.608 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)c1 9141321 YLXCVXBXEVKXIO-UHFFFAOYSA-N 356.425 5.293 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2cc(C)cc(C)c2)cc1 11915812 MWBADUWMZJZIJH-UHFFFAOYSA-N 365.498 5.286 0 40 FKAB Cc1ccc(C2=NN(c3ccc(C)c(Cl)c3)[C@H](c3ccccc3)C2)cc1 16292171 YZOSLKKJBHDDKE-QHCPKHFHSA-N 360.888 6.313 0 40 FKAB C[C@@H](N)c1ccc(OCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 16974452 CHNBJPJHVBOEGA-GOSISDBHSA-N 369.549 5.878 0 40 FKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1 20493608 GBKKRULMHJOORD-UHFFFAOYSA-N 367.470 5.205 0 40 FKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 26320103 VOFNLNZKYGMVSH-UHFFFAOYSA-N 372.468 5.591 0 40 FKAB CC(=O)Oc1ccc(-c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 26779868 HDFGCOVAABFMQX-UHFFFAOYSA-N 373.452 5.456 0 40 FKAB CC(C)(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 40155744 DCXVWZPCPFZXKQ-MRXNPFEDSA-N 371.333 5.370 0 40 FKAB COc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@@H]32)cc1Cl 58182452 TVAMQIPGDCFUOV-OZVIIMIRSA-N 356.293 5.043 0 40 FKAB Cc1cccc(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cccnc2)c1 69033337 RWZXDXFQNUPTLU-HXUWFJFHSA-N 365.864 5.297 0 40 FKAB Cc1ccc2nc(C)c(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2c1 71459274 DXBZUXWNGNXBHF-UHFFFAOYSA-N 368.651 5.164 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5cccc(C)c5C)(C4)C2)C3)cc1 100556580 UAKGXIBOBWUHHB-ITYMFSOSSA-N 373.540 6.089 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc(C)c(C)c2)cc1 222955901 DDQOIKFHRWEKEN-JOCHJYFZSA-N 353.506 5.148 0 40 FKAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)nc1 223931322 LDVYEDFKCSCFPC-UHFFFAOYSA-N 369.877 5.014 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 224578206 OPWQKGNYHNPBEF-CYBMUJFWSA-N 366.288 5.831 0 40 FKAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225054500 CNLHSPXEOKWDHI-UHFFFAOYSA-N 359.878 5.017 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1 225485619 QDAHNLLRHGELHE-OAQYLSRUSA-N 368.546 5.754 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cccc(F)c2)c2ccccc2)c(C)c1 225768061 ACNTULPZGZKFKB-OAQYLSRUSA-N 364.489 5.519 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)c1 225845341 SISNZVMZBSQBDU-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccs1 408559688 BDLSWVSGSGYWKE-ZPHPHTNESA-N 362.907 5.001 0 40 FKAB Cc1ccccc1Oc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 408605044 WNYDXXYJASRETA-UHFFFAOYSA-N 357.236 6.325 0 40 FKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(Cl)c1 408923648 ZFMXLQKDHIIIFT-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB CCOc1cc(CNc2ccccc2CC)cc(Br)c1OC 409111208 BMJGZZMURXGBAJ-UHFFFAOYSA-N 364.283 5.031 0 40 FKAB Cc1ccc(COc2ccccc2CNc2cc(Cl)ccc2C)cc1 409115996 KZZNKUGHLGJWBQ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Clc1ccc(/C(=C/c2ccc(Cl)cc2Cl)Cn2ccnc2)cc1 608163 WNGFKUOERJDDIY-OQLLNIDSSA-N 363.675 6.084 0 40 FKAB in-man Cc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C 652123 OHNZARYTJFMZSJ-UHFFFAOYSA-N 364.514 5.977 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 708704 JMJLQMNSSWXFES-LJQANCHMSA-N 368.358 5.477 0 40 FKAB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)c1 1218933 MLSZTKQFCYQTKR-JLHYYAGUSA-N 370.408 5.155 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1OCc1ccc(Cl)c(Cl)c1 1268715 SZRSKQQXIPXACV-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1509352 SENFGDXUYWQJKH-UHFFFAOYSA-N 372.449 5.418 0 40 FKAB Cc1ccc(C)c(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)c1 1779249 WSRXIDSYDBDZNL-UHFFFAOYSA-N 366.486 5.225 0 40 FKAB CCc1ccc2nc(-c3ccc(-c4cccc(F)c4)o3)cc(C(=O)O)c2c1 1790036 NSHHZAJZMKXPQR-UHFFFAOYSA-N 361.372 5.562 0 40 FKAB COc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2 2020011 QOJDAWZHQLNKDR-INIZCTEOSA-N 354.519 5.172 0 40 FKAB in-man COc1ccc(C2=CSC(Nc3ccccc3)=NN2c2ccccc2)cc1 2030347 NZEPSALASGHEIP-UHFFFAOYSA-N 373.481 5.630 0 40 FKAB COc1ccc([C@H](CCN[C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 2448443 LTARLXNMDBFWOI-HOYKHHGWSA-N 363.476 5.707 0 40 FKAB CC(=O)c1ccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 2663438 SVTFEQIKSDMCPC-UHFFFAOYSA-N 373.692 5.658 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC)c(Br)c1 3296264 NNQUGYTWEBTMSA-GFCCVEGCSA-N 362.267 5.224 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)NC(c1ccccc1)c1ccccc1 3331246 ZEUVIWVNQKVLCJ-UHFFFAOYSA-N 368.436 5.169 0 40 FKAB Cc1ccc([C@@]2(CCN[C@@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 4043267 NKGXTFCIHUTLTA-TUSQITKMSA-N 365.561 5.809 0 40 FKAB CCCCC(=O)n1ccc([C@H](C)Oc2ccc(-c3ccccc3)c(F)c2)n1 4060686 DOELRHYKRLRSOB-INIZCTEOSA-N 366.436 5.660 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc2ccccc2c1 4666577 RTKARBTXMRNPKZ-UHFFFAOYSA-N 361.485 6.104 0 40 FKAB COc1ccc(CNc2c(-c3cccs3)nc3ccc(Cl)cn23)cc1 4848481 MUYDANAFRMZDSL-UHFFFAOYSA-N 369.877 5.337 0 40 FKAB C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)NCCC1=CCCCC1 5038126 BXWYQSGHJCFHPZ-GFCCVEGCSA-N 358.334 5.481 0 40 FKAB CCCCCCc1c(C)c2cc(Cl)c(O[C@H](C)C(C)=O)cc2oc1=O 5548285 GBRFZXMPTVGIMG-CQSZACIVSA-N 364.869 5.234 0 40 FKAB Cc1ccc2[nH]c(SCC(=O)c3ccc(Cl)cc3Cl)nc2c1 5612502 SPGXCRKSZTZXES-UHFFFAOYSA-N 351.258 5.153 0 40 FKAB S=c1sc2ccccc2n1CSc1nnc(-c2ccccc2)o1 5672887 JZYTXORSSNGQSI-UHFFFAOYSA-N 357.485 5.232 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2ccccc2)n1 6240353 MNJJNRXCUIDAIK-UHFFFAOYSA-N 363.269 5.293 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6426859 CHWHPJWAIPEJIM-NSHDSACASA-N 357.759 5.073 0 40 FKAB COc1ccccc1-c1nnc(SC(C)C)n1-c1ccc(Cl)cc1 6598755 NAKKZHJIPVCVFU-UHFFFAOYSA-N 359.882 5.097 0 40 FKAB CCc1cccc(C)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 6789043 GTTBRILXKSLLRB-UHFFFAOYSA-N 370.905 5.516 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 8040750 PJBKVJHYSFDXQN-OAQYLSRUSA-N 373.496 5.300 0 40 FKAB Cc1c(F)cccc1NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 8306505 BGNHXIHPGZILLU-UHFFFAOYSA-N 372.399 5.104 0 40 FKAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccc(Cl)cc1F 11618708 YMVCTVODEYBLGN-UHFFFAOYSA-N 354.812 5.197 0 40 FKAB C[C@]1(c2ccncc2)NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 12549180 BCABKZMHHNPTOY-FDDCHVKYSA-N 373.887 5.215 0 40 FKAB Cc1c(-c2cc3ccccc3o2)oc2ccc(Br)cc2c1=O 12619378 XWUBGNOORWFRFS-UHFFFAOYSA-N 355.187 5.277 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1SCc1ccccc1 13676274 NLIJALFQRCACSI-QGZVFWFLSA-N 359.494 5.570 0 40 FKAB Fc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1 16449690 CIFUNCVUSLZHCD-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Fc1ccccc1COc1ccccc1CNCc1ccccc1Cl 16449783 WPBOAVKNTJNQJT-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB OC1=NC(=S)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 21935426 KNHRJCOEVCXUAT-DHDCSXOGSA-N 361.875 5.248 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 22522703 XROZIDPHPNMZGC-HNNXBMFYSA-N 374.720 6.156 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(OC(C)C)c1 30755391 RGCVLUIGJCFYQD-QFIPXVFZSA-N 363.457 5.423 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N(Cc1ccccc1)Cc1ccccc1 30860550 PURFLSIAUPLBQN-QHCPKHFHSA-N 373.496 5.381 0 40 FKAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 30940247 UYJJMWXNEDPABA-UHFFFAOYSA-N 366.505 5.102 0 40 FKAB Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H]3c3ccsc3)n2)cc1F 40154241 AXAHUDQRZZTBHP-CXAGYDPISA-N 357.454 5.144 0 40 FKAB CCOC(=O)CCCCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214403 LQWPIBKHVWAJGG-UHFFFAOYSA-N 365.684 5.733 0 40 FKAB Cc1ccc(COc2ccc(-c3nc(C)cc(-c4ccccc4)n3)cc2)cc1 57354874 JZXXWAVUZKRTET-UHFFFAOYSA-N 366.464 6.006 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 59351242 QVIRYJRYICUUSU-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 89356176 AUCDJTBPCBHQCS-XZOQPEGZSA-N 359.444 5.255 0 40 FKAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@@H](c2ccsc2)SC1 95473209 NNYKFOBOBUIJIX-OAHLLOKOSA-N 361.879 5.011 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 95589252 BQBXCAZLBLICCY-UHFFFAOYSA-N 365.138 5.536 0 40 FKAB CCCCCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100846434 YIZWGCJJWFMBOJ-LMHXZZLNSA-N 353.550 5.530 0 40 FKAB CCCOc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223330400 ZBXJQPHKRKVCMV-KRWDZBQOSA-N 369.505 5.407 0 40 FKAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 223892568 UDVTUIOTYYQHQF-KRWDZBQOSA-N 353.506 5.111 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224040664 RDNNYSVPFBIJPX-UHFFFAOYSA-N 357.497 5.807 0 40 FKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC 224413778 KBURHUAPUPGUFB-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cc(C)cc(C)c2)cc1 225496873 XVPWDAGVTMQBOK-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(-c2ccsc2)cc1 225618079 SEXUSLFESIUKCR-JOCHJYFZSA-N 373.477 5.032 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225652881 IUSBCUDISOGXAG-JOCHJYFZSA-N 363.542 5.734 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cccc(Cl)c2oc1=O 226039625 IFDFWQFAOJXFPC-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB Nc1cc(-c2ccc(Cl)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 408950425 KBVWLQYHBIWQPA-UHFFFAOYSA-N 373.070 5.735 0 40 FKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2C(C)C)c2ccccc2)cc1 409131050 JKLZXUCUIUXNGF-HAVVHWLPSA-N 371.480 5.998 0 40 FKAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 691591 HDKCTIICLGECNU-UHFFFAOYSA-N 365.502 5.098 0 40 FKAB Clc1cccc(Cl)c1Cn1c(-c2cccs2)nc2ccccc21 1424698 MTYQUGQBJDCTLG-UHFFFAOYSA-N 359.281 6.120 0 40 FKAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 2350558 UQKFHRNKIXQXCO-UHFFFAOYSA-N 357.306 5.275 0 40 FKAB Cc1nn2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc2c1Cl 2787527 NMHCLRHNZKLVLG-UHFFFAOYSA-N 362.594 5.603 0 40 FKAB Cc1csc(NC(=O)CCN2c3ccccc3Sc3ccccc32)n1 3303008 JGVAQTYYJIOMMJ-UHFFFAOYSA-N 367.499 5.083 0 40 FKAB CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 3319550 AJGPHBHICSKMTE-UHFFFAOYSA-N 351.519 5.403 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1cccc(C(F)(F)F)c1 3427963 LITOPBMCLDITQV-UHFFFAOYSA-N 369.814 5.665 0 40 FKAB CN(C)c1ccc(C[C@H](c2ccccc2)c2ccc3ccccc3n2)cc1 3845719 VCGODHIYWCESDP-HSZRJFAPSA-N 352.481 5.675 0 40 FKAB biogenic Clc1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)cc1 3909925 UOZRAHGDFHOISV-UHFFFAOYSA-N 360.269 6.113 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCS[C@H]1c1cccc(F)c1 4574057 SCOVLDMEEWXQIY-HNNXBMFYSA-N 370.371 5.124 0 40 FKAB Cc1ccc2[nH]c(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2c1 4704293 OXKCZGCWGANESY-UHFFFAOYSA-N 356.425 5.308 0 40 FKAB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1 4735057 BVZSAFSZFGVCHB-UHFFFAOYSA-N 357.413 5.090 0 40 FKAB CCOC(=O)c1c(C)nc2c(c1-c1ccccc1Cl)C(=O)CC(C)(C)C2 5473934 UWUUTKFTZVXYGL-UHFFFAOYSA-N 371.864 5.042 0 40 FKAB C1CCSCCCCSCCCCSCCCCSC1 5566908 ORSVEXHROYPMJO-UHFFFAOYSA-N 352.700 6.054 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(O)c2)N3)C1 5838567 KLPBWGQWYSJOKJ-SJKOYZFVSA-N 356.491 5.034 0 40 FKAB Cc1ccccc1OCCCn1c(/C=C/c2ccco2)nc2ccccc21 6396637 CSJOYQMROTWGGU-BUHFOSPRSA-N 358.441 5.577 0 40 FKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 7077307 WSEUCAPJIGRARH-KRWDZBQOSA-N 372.468 5.134 0 40 FKAB CCOc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1OC 7973354 AZFUQYPENSOLBJ-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB Cc1nc2cc(NC(=S)Nc3ccccc3)ccc2n1-c1ccccc1 12531669 QPIXGPOFTZMQFX-UHFFFAOYSA-N 358.470 5.143 0 40 FKAB Clc1cccc(-c2nnc(SCc3nc4ccccc4s3)o2)c1 14197379 FJHLNLJYMWPVDK-UHFFFAOYSA-N 359.863 5.292 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 15867395 KKGJBTCJCWYSIA-UHFFFAOYSA-N 357.812 5.619 0 40 FKAB CCCCC/C=C/C/C=C\CCCCCCCC1=NC(C)(C)CN1C(C)C 17148026 FJQBQHDALVQQQD-SVEAWWMOSA-N 374.657 7.701 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 22523508 JVEIDHMIBLQYHE-UHFFFAOYSA-N 370.496 5.454 0 40 FKAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)c1cccc(Cl)c1 48255348 HMIFVRMCZCLQIS-AWEZNQCLSA-N 373.884 5.126 0 40 FKAB CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)C1CCCC1 67890025 JMDDOPRJYJSLFF-NQIIRXRSSA-N 372.553 5.061 0 40 FKAB biogenic,in-vitro Cc1cc(N)c2oc(-c3cccc4c(Br)cccc34)nc2c1 70461442 ZSKXLQBETJYFOI-UHFFFAOYSA-N 353.219 5.301 0 40 FKAB Cc1cc(Br)ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 95067939 CNTYNIZOIMQVTN-UHFFFAOYSA-N 373.172 5.420 0 40 FKAB CC[C@H](NC1CCC(O)(c2ccc(C(C)C)cc2)CC1)c1ncc(C)s1 95454562 JABRWJVZTJQPEM-FUHYEJFZSA-N 372.578 5.446 0 40 FKAB CCSc1nc2n(n1)[C@H](c1sccc1C)C1=C(O)CC(C)(C)CC1=N2 102611882 ZRIYMUUNZRVEJT-AWEZNQCLSA-N 374.535 5.068 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)cc1 106975032 HPZYBKAFAGRXHZ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(C)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 170492771 DETXTOPMYAMGGN-UHFFFAOYSA-N 372.493 6.339 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1 199713225 JGVBZPBOOREPSR-UHFFFAOYSA-N 363.255 5.226 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225676973 VNDUPYPRUDXDSH-SFHVURJKSA-N 354.519 5.201 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225803476 RFRKTVYGTWDEEF-GAJHUEQPSA-N 371.521 5.941 0 40 FKAB CC(C)Cn1c(SCCc2ccccc2)nnc1-c1ccc(Cl)cc1 409102055 ZRPDQSPLNGOMER-UHFFFAOYSA-N 371.937 5.589 0 40 FKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccc(Cl)cc1 409117347 NCSVKXZLSCSHKZ-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1Br 663101 BSVJTYIMIWJQRA-UHFFFAOYSA-N 368.230 5.494 0 40 FKAB CCN1c2ccccc2C=C(Br)[C@H]1C(Cl)(Cl)Cl 987896 WXERFTVXNVKWMZ-NSHDSACASA-N 355.490 5.001 0 40 FKAB Cc1c(Cl)ccc2c(C(=O)N3CCCCC3)cc(-c3cccs3)nc12 993384 IGWWXISXFUYKDR-UHFFFAOYSA-N 370.905 5.551 0 40 FKAB O=C(Nc1ccccc1F)c1cc2sccc2n1Cc1ccc(F)cc1 1324262 RCVHSKFSNMYOEC-UHFFFAOYSA-N 368.408 5.282 0 40 FKAB O=C1O[C@](c2ccccc2)(c2cccc3ccccc23)C[C@H]1c1ccccc1 1587890 PNJGNAASVBVSPS-JYFHCDHNSA-N 364.444 5.814 0 40 FKAB O=C(COc1ccccc1Cl)O[C@@H]1CCCC[C@@H]1C1CCCCC1 1596190 RQKPSQNXTXVOEX-SJLPKXTDSA-N 350.886 5.401 0 40 FKAB Cc1cc(C)c(NC(=O)Nc2ccc(C(Cl)(Cl)Cl)cc2)c(C)c1 1741741 MDEMGBLKZSSFOF-UHFFFAOYSA-N 371.695 6.083 0 40 FKAB CCOc1ccccc1Nc1nc(-c2ccc(C)cc2)nc2ccccc12 1775385 UADVPSHLWUOPHO-UHFFFAOYSA-N 355.441 5.748 0 40 FKAB Cc1cc(C)c2nc(C(F)(F)F)nc(NCCCc3ccccc3)c2c1 1890988 WCVXHMSXMSSZRD-UHFFFAOYSA-N 359.395 5.310 0 40 FKAB CC(C)(C)c1nc(Nc2ccc(Cl)cc2)s[n+]1C=C(Cl)Cl 1953273 GTXYUAPOLZLYDI-UHFFFAOYSA-O 363.721 5.359 0 40 FKAB CCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(C)=O)c2ccccc21 2270655 FHJVMHGEWNXCIG-HTAPYJJXSA-N 364.489 5.096 0 40 FKAB CCCCn1c(SC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2297239 PPQRSRQRBLKOOB-UHFFFAOYSA-N 368.546 5.190 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)cc1 2733467 OHAYILRIANLHLF-UHFFFAOYSA-N 360.407 6.101 0 40 FKAB Cc1ccc(CSc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 3050306 JDVOBSLIFAISCD-UHFFFAOYSA-N 358.466 6.004 0 40 FKAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3ccc(C(C)(C)C)cc3)cc2c1C 3324706 SXVPPWOVYUCOAK-UHFFFAOYSA-N 363.457 5.122 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1C 3893931 IEJOMFKZTCIUJU-UHFFFAOYSA-N 369.486 5.038 0 40 FKAB aggregator Cc1cc(C)c(-c2csc(NC(=O)c3c(F)cccc3F)n2)c(C)c1 4071285 LZRNMRXXLFAKIV-UHFFFAOYSA-N 358.413 5.266 0 40 FKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCO[C@H](C(C)C)C1)Cc1ccccc1 4073118 MSYWYAYYBZLWRC-ZEQRLZLVSA-N 373.581 5.683 0 40 FKAB biogenic Clc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1 4735127 WNCBZOIZLWQNRK-UHFFFAOYSA-N 363.804 5.127 0 40 FKAB c1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)c3ccccc3n2)cc1 4770879 KTUPGQKJICBPQF-UHFFFAOYSA-N 373.419 5.160 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 5191765 SWXCJVBFYCZUPV-UHFFFAOYSA-N 374.918 5.584 0 40 FKAB Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C)c(-c3ccccc3)c2n1 5551549 MGDZSLLDFNZPFP-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB Clc1ccc2c(NCCCCN3O[C@H]3c3ccccc3)ccnc2c1 5941890 MMUAXWUXILQCRK-QHELBMECSA-N 353.853 5.026 0 40 FKAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1[C@@H]2[C@H]2CC[C@@H]1C2 6673409 HLZNOJRSHYTLRA-SLYJUMSNSA-N 353.849 5.335 0 40 FKAB Cc1nn(-c2ccccc2C(=O)O)c(C)c1-c1ccc(Cl)c(Cl)c1 6796153 OSGBBMOQKGJGNI-UHFFFAOYSA-N 361.228 5.161 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 6938362 XAYKGVJZLWUJRQ-GOSISDBHSA-N 374.484 5.203 0 40 FKAB CC(C)c1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 8328365 ZZLVDERBTOJKPB-KRWDZBQOSA-N 353.491 5.259 0 40 FKAB CCn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccco1 8620155 YFKXEGQXFXPBSA-UHFFFAOYSA-N 361.470 5.440 0 40 FKAB C[C@@H]1[C@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 12658002 DYGSLTDGTPXLQY-SQPXDBQVSA-N 355.305 5.524 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2cccc(F)c2)o1 13946333 JQEKJGRTMSKTJO-UHFFFAOYSA-N 369.395 5.909 0 40 FKAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14796313 KIFKWDBMFLZMCS-MRXNPFEDSA-N 355.478 5.177 0 40 FKAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(Cl)c1 16018344 RFTUDMJIWGKTSR-CYBMUJFWSA-N 358.894 5.150 0 40 FKAB CCC[C@@H](NC(=S)NCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 17076700 UJEZDUKZTHBGQH-MYZSEDEFSA-N 374.569 5.175 0 40 FKAB c1csc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1 19343778 ZWGQVKRBSXLQIO-UHFFFAOYSA-N 356.501 5.002 0 40 FKAB Cc1c(CN[C@H](Cc2ccsc2)c2nccs2)[nH]c2ccccc12 19565963 ICQQMDYYTZTEKE-QGZVFWFLSA-N 353.516 5.068 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 20158456 ZOGRDWFJKFYPLW-UHFFFAOYSA-N 372.424 5.576 0 40 FKAB CSc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)cc1 20380335 GUJYBMMKTQMTAQ-UHFFFAOYSA-N 372.902 5.878 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1 27664326 VHSUIVQNVZVNKY-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB C[C@H]1CCCCN1C(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 59843080 ZVFXIHIXTCRSTI-ZDUSSCGKSA-N 354.450 5.117 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212168 HUKVHZBVXSXJLX-SFHVURJKSA-N 354.450 5.336 0 40 FKAB C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1nc(C(C)(C)C)cs1 78546621 MYLBUGXWIAIHDP-STQMWFEESA-N 363.552 5.110 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(Cl)cc1Cl 96538355 JWRYUMQUGROUFW-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB COCCCCC(=O)N(c1cc(C)ccc1F)[C@@H](C)c1ccc(C)cc1 97163205 KCULWEQATQQJKT-SFHVURJKSA-N 357.469 5.353 0 40 FKAB CC(C)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 102402256 DVASEIMGQMNAIH-HRAATJIYSA-N 374.444 5.060 0 40 FKAB COc1ccc(C(OC[C@@H]2C[C@@H]3CC[C@@H]2C3)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 104189095 WGBUGNRGCZHCSG-BDACHGGBSA-N 370.533 5.599 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 118930538 SFBMPHLOQAKIBY-XWLABEFZSA-N 370.665 8.274 0 40 FKAB Clc1ccc2nc(C3=CCN(Cc4ccccc4Cl)CC3)[nH]c2c1 138164493 IYRKNYURFAHXPY-UHFFFAOYSA-N 358.272 5.159 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(N2CCCCC2)cc1 224976526 OEBXMABGZBFGHY-UHFFFAOYSA-N 358.485 5.401 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCCC1 225660151 AKTRLVHRPUVWQC-UHFFFAOYSA-N 373.537 5.775 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC(C)CC1 225721591 SRKHZKVXIALTEY-UHFFFAOYSA-N 361.526 5.262 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 225733343 VPJIVFISZVWUGW-QGZVFWFLSA-N 353.506 5.019 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 250208514 KLDWEGODAHJCRI-RJYYBVGHSA-N 353.849 5.335 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1OCC 408567657 PEWYQSBJXWLPSF-WUXMJOGZSA-N 359.853 5.179 0 40 FKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 408733191 FVMHFAPEBIYZFV-UUOWRZLLSA-N 370.496 6.280 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3oc4ccc(F)cc4c3C)cs2)cc1 1775965109 UZLWYBNQKPLOOB-UHFFFAOYSA-N 366.417 5.565 0 40 FKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(Cl)c1 805620 QFYKKVOSXCWBHD-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CC(C)(C)C(=O)Nc1cccc(Oc2cccc(NC(=O)C(C)(C)C)c2)c1 894454 LYXCYLGBMPLXHU-UHFFFAOYSA-N 368.477 5.448 0 40 FKAB CCN1c2ccccc2C=C(Br)[C@@H]1C(Cl)(Cl)Cl 987898 WXERFTVXNVKWMZ-LLVKDONJSA-N 355.490 5.001 0 40 FKAB O=C(Nc1cccc(F)c1)c1cc2sccc2n1Cc1ccc(F)cc1 1324261 CJHIBJGMLALWAG-UHFFFAOYSA-N 368.408 5.282 0 40 FKAB c1ccc(-c2ccccc2OCCOc2ccccc2-c2ccccc2)cc1 1555230 RUTYZGCHBCCSKD-UHFFFAOYSA-N 366.460 6.478 0 40 FKAB CCCCCSc1nc2sc3c(c2c(=O)n1C)CCc1ccccc1-3 2220124 WCQZIWDEKDJDGW-UHFFFAOYSA-N 370.543 5.043 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 3135968 UDPXJZIGNIVIMW-UHFFFAOYSA-N 358.828 5.808 0 40 FKAB Clc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Cl)cc32)cc1 4130028 PMDOEHDGZOGIFJ-UHFFFAOYSA-N 366.251 5.427 0 40 FKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 4144572 YIFQMHVRGMTIAM-UHFFFAOYSA-N 371.509 5.459 0 40 FKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1C 4539993 SXVZHJSVEHOZQO-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=S)c1ccccc1 4794385 VEEQKUBKHAMLHU-UTKZUKDTSA-N 358.510 5.814 0 40 FKAB C[C@H]1CC(C)(C)C[C@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)O)C1 5696648 XROBQVICXLWESG-VOJFVSQTSA-N 372.292 5.239 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1Cl 5867452 YRHYSNGHHHFQRD-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB CCOC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 5871438 PKHSXCRODHMREC-UHFFFAOYSA-N 367.448 5.988 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl 6215672 PMLDDZPPGSVZLQ-UHFFFAOYSA-N 367.832 5.458 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OC 6350924 PODPYFDNUURSDP-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3)o2)cc1C 6503776 KLJJSDSFKGPKCL-UHFFFAOYSA-N 370.246 5.578 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 6629509 FKDCYWSIBTUKBB-XDHOZWIPSA-N 368.502 5.157 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(-c2ccc(Br)cc2)o1 6857404 AFAJZKSONOCSIK-UHFFFAOYSA-N 364.327 6.014 0 40 FKAB Cc1nc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cs1 7437714 JMYQANWHZOFQKN-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 8232660 XZNFFHHQPPDATL-UHFFFAOYSA-N 372.424 5.276 0 40 FKAB C[C@H](Nc1nc(-c2ccc(N3CCCC3=O)cc2)cs1)c1ccccc1 8296521 DPHFIDCWYOQCAW-HNNXBMFYSA-N 363.486 5.110 0 40 FKAB CCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CCC 9060044 GYRFLRSPBJPWFQ-UHFFFAOYSA-N 352.482 5.187 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12227301 HLFJOAITTKQTED-UHFFFAOYSA-N 371.440 5.321 0 40 FKAB O=C(CSCc1ccc(Cl)s1)Nc1ccccc1-c1ccccc1 12816349 QTMYHIVPFQSYTF-UHFFFAOYSA-N 373.930 5.940 0 40 FKAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1 12952746 VWJFTRAWVMXEEJ-FLFQWRMESA-N 361.445 5.031 0 40 FKAB CCc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 13810634 LUUCKQMJUCSYEW-GGAORHGYSA-N 353.469 5.745 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 20104720 ODMYRNNIMQVGNW-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1C 23011125 FPYNYZPQKZSHJG-UHFFFAOYSA-N 359.429 5.200 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3oc4c(C)c(C)ccc4c3C)on2)cc1 27662338 RWNHBZJOIDWCKH-UHFFFAOYSA-N 360.413 5.574 0 40 FKAB N=C1N(c2ccc(Br)cc2)Cc2ccccc2C12CCCC2 27986519 KMKGYTQNZXSFRA-UHFFFAOYSA-N 355.279 5.258 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30938225 KAQQSJYMCCRWOX-HXUWFJFHSA-N 368.496 5.019 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CSCCOc1ccc(Cl)cc1 31731118 RPDKVFCXKGTXJN-UHFFFAOYSA-N 370.301 5.053 0 40 FKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1cccs1)CC(O)=N2 32094049 ZUFIYROLGVRVPT-ZDUSSCGKSA-N 368.483 5.494 0 40 FKAB Fc1cccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)c1 33298155 DQIBUCVNFZYTNQ-UHFFFAOYSA-N 371.824 5.243 0 40 FKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC 72215260 OUQNPYQOOXIBHM-FUHWJXTLSA-N 361.530 5.169 0 40 FKAB O=C(O)[C@H](Cc1nc2ccccc2s1)C1c2ccccc2-c2ccccc21 85388824 XWYJKMHMAZDJCW-GOSISDBHSA-N 371.461 5.352 0 40 FKAB CCn1cc(C(=O)Nc2ccsc2[C@H](C)CC(C)C)c(C(F)(F)F)n1 91301185 LSHDQQKTEZPMAM-LLVKDONJSA-N 373.444 5.385 0 40 FKAB CC(C)(C)c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193783 AHJWTBNVVAKQOC-UHFFFAOYSA-N 374.469 5.564 0 40 FKAB Cc1cccc(/N=c2/ssc3c2-c2ccc(C)cc2NC3(C)C)c1 103910126 TZNLMPIFTGGSAB-XUTLUUPISA-N 352.528 5.986 0 40 FKAB Cc1ccc(N/C(C(Cl)=C(Cl)Cl)=C(\Cl)[N+](=O)[O-])c(C)c1 104817313 JZXQLIQLYJIWQV-ZRDIBKRKSA-N 356.036 5.285 0 40 FKAB O=c1c(Oc2ccccc2)c(O)c2ccc(Cl)cc2n1-c1ccccc1 200281191 XCMNVGWUZTWBGL-UHFFFAOYSA-N 363.800 5.142 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1cccc3ccccc13)CC(C)(C)O2 222677667 HDKNJSPMKABDHI-JOCHJYFZSA-N 373.496 5.499 0 40 FKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C(C)C)c3C)N21 222692919 MARZADRDSJRWAX-FFZOFVMBSA-N 368.550 5.060 0 40 FKAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223084170 MHIWUAHXGISSQN-JOCHJYFZSA-N 351.490 5.235 0 40 FKAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc2c(ccc3ccccc32)o1 224497893 HLQCTFKHRQVLCO-UHFFFAOYSA-N 371.421 5.357 0 40 FKAB Cc1cc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)ccc1Cl 225091084 RHCFOURPUTWEDX-OAHLLOKOSA-N 359.636 5.030 0 40 FKAB CCc1cccc(CC)c1NC(=O)CCc1c(Cl)cccc1Cl 225350449 QHVNOPMHIKVZRD-UHFFFAOYSA-N 350.289 5.690 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(C(C)C)cc2)c1 225602812 QKCWBKZWQIIJKN-UHFFFAOYSA-N 372.603 5.728 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)c(C)c1)CC(C)(C)O2 225672460 VEMSZOWBEWJBQW-GOSISDBHSA-N 354.519 5.201 0 40 FKAB O=C1C(=O)C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)=C(O)c2ccccc21 299873031 BSJMWHQBCZFXBR-CTYIDZIISA-N 366.844 5.349 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OCC 408530878 KLXGBPNAIMSQDG-UHFFFAOYSA-N 363.457 5.670 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc(C)c1 408563678 WMCGBSKHXHYITC-XDOYNYLZSA-N 370.905 5.248 0 40 FKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 408573115 MAONDIZFWKIQFU-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NCc1ccccc1 408623953 VQZCJEDXVVTJCO-VQHVLOKHSA-N 372.251 5.583 0 40 FKAB CCCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 409101751 QYVLAMBSEMLDPW-UHFFFAOYSA-N 361.873 5.440 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)c1 409103134 AXVFEEYOGLTQKW-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 409171571 DUVLQAWCJDBGHX-UHFFFAOYSA-N 367.901 5.529 0 40 FKAB Clc1ccc(-c2nnc(-c3ccc(Cl)cc3)c(N3CCCC3)n2)cc1 721158 ZBPNLEZYYOODSH-UHFFFAOYSA-N 371.271 5.113 0 40 FKAB C[C@@H]1CC(C)(C)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 1438060 SOHTYEKCCZMIQM-GFCCVEGCSA-N 363.288 6.318 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c(C)c1 1512050 LOPSJRHURBNISC-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB O=P(NCc1ccccc1)(OCc1ccccc1)OCc1ccccc1 1712140 KACDMMDAWRUYBT-UHFFFAOYSA-N 367.385 5.318 0 40 FKAB Cc1ccc(-c2nnc3c4cc(C)ccc4n(Cc4ccccc4)cc2-3)cc1 2689771 MPXWEJJDMLNNCU-UHFFFAOYSA-N 363.464 5.868 0 40 FKAB CCN(CC)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 2773360 MOOHKDMYKQESIJ-UHFFFAOYSA-N 372.468 5.409 0 40 FKAB C(=C/c1ccc2c(c1)Cc1cc(/C=C/c3ccccc3)ccc1-2)\c1ccccc1 3204767 DAKGYRRPMNTHII-PHEQNACWSA-N 370.495 7.599 0 40 FKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccco1 4858126 QRCMKCXYUBFQCK-SMDVXAHOSA-N 371.480 5.219 0 40 FKAB Cc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c(C)c1 5257454 LLWUYWNALPLLGX-UHFFFAOYSA-N 353.358 5.981 0 40 FKAB CC(=O)c1ccc2c(c1)N(C(=O)Nc1ccccc1)c1ccccc1S2 6262504 IWIJYKPXBYUAIR-UHFFFAOYSA-N 360.438 5.724 0 40 FKAB c1csc([C@@H]2CCCN2c2ncnc3sc4c(c23)CCCCC4)c1 6881422 DHSFXBMEPXDDDP-AWEZNQCLSA-N 355.532 5.363 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 6965677 QJYFNZRFEQIJDX-JMERFSKESA-N 374.267 5.827 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1 7670837 ZBTGGQDEXMNZPY-UHFFFAOYSA-N 354.362 5.055 0 40 FKAB CC(C)C(=O)Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1 9226474 NQDRDGDXFFRMCJ-UHFFFAOYSA-N 366.848 5.340 0 40 FKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1Oc1ccccc1 10286572 HVCOCQMVUYFNRX-UHFFFAOYSA-N 374.465 5.361 0 40 FKAB OCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1ccccc1 12376976 MJOKLWPFFGFXJX-VHXPQNKSSA-N 372.493 5.108 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12560172 UIPPYAQJNDISIQ-SFHVURJKSA-N 365.521 5.239 0 40 FKAB COc1ccc(Nc2cc(C)nn2-c2ccnc3cc(Cl)ccc23)cc1 12658864 RIVKSOVIFYZKMG-UHFFFAOYSA-N 364.836 5.135 0 40 FKAB S=c1oc(-c2ccccc2Cl)nn1CN1CCC[C@@H]2CCCC[C@@H]21 13097668 JVLNHMIJCWXZMX-BBRMVZONSA-N 363.914 5.138 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1C 14651637 ADPWYLKCYILCLE-UHFFFAOYSA-N 362.267 5.107 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cn3cc(Cl)cn3)n2)cc1 17074681 FMOMAMPLSZPYDZ-UHFFFAOYSA-N 362.864 5.190 0 40 FKAB c1csc([C@@H]2c3ccsc3CCN2Cc2nc3ccccc3o2)c1 23955494 DBJAWXZFRWAPEP-IBGZPJMESA-N 352.484 5.099 0 40 FKAB Cc1ccc(-c2csc3ncnc(NCc4ccccc4Cl)c23)cc1 27743975 AWEMPPCATVQKKA-UHFFFAOYSA-N 365.889 5.932 0 40 FKAB CCCCCCNCc1cn(-c2ccccc2)nc1-c1ccccc1Cl 27750721 WCQAQOFNEUQMJB-UHFFFAOYSA-N 367.924 5.863 0 40 FKAB Cc1cccc2nc(-c3ccc(O)cc3)c(Nc3ccc(C(C)C)cc3)n12 35606554 VDQCWMAZPCWZBF-UHFFFAOYSA-N 357.457 5.882 0 40 FKAB CCc1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339968 BLXNECLASIWIFY-CMDGGOBGSA-N 355.821 5.309 0 40 FKAB Cc1nc2cc(NC(=O)c3cccc(Oc4ccccn4)c3)ccc2s1 96122623 QXJQQHSUCQYHAI-UHFFFAOYSA-N 361.426 5.044 0 40 FKAB COc1ccc(-c2c/c(=N\c3cccc(C)c3C)c3cc(C)ccc3o2)cc1 101268587 QCPPCESLRZCPIJ-WNAAXNPUSA-N 369.464 6.266 0 40 FKAB Oc1ccccc1C1=C[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 101352763 OVNAUOORVGBNBB-FQEVSTJZSA-N 373.843 5.451 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 219514330 XPIJQYCNPIVSGT-QGZVFWFLSA-N 353.462 5.031 0 40 FKAB Cc1cc2c(cc1C)N(C(=O)C(C)(C)Br)C(C)(C)C[C@H]2C 223238902 DBQIOBSYUQJGHO-CYBMUJFWSA-N 352.316 5.096 0 40 FKAB CC[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(OC)c(C)c1 224986870 OTRXBBYLANMOES-QFIPXVFZSA-N 361.485 5.357 0 40 FKAB CC(C)C[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225493709 QSEHDSMXQFDRSE-QGZVFWFLSA-N 366.452 5.779 0 40 FKAB CCc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 225509159 OPSFBRKTCVKNSH-QFIPXVFZSA-N 360.526 5.633 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225746500 TYURRBKBFHTFGT-QFIPXVFZSA-N 361.526 5.630 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O[C@H]3C[C@H]4[C@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@@H]21 299888742 VUDXCBLBKXFCNA-GHQJCXETSA-N 374.565 5.378 0 40 FKAB C=Cn1c2cc(Br)ccc2c2ccc(Br)cc21 1772502180 AQVAIVOLMNGCLU-UHFFFAOYSA-N 351.041 5.420 0 40 FKAB COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 639228 QMPASJSFEHTYAI-UHFFFAOYSA-N 352.242 5.469 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccs2)nc2ccccc12 990837 GRJPXUIWNDGZST-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1c(OCc2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1ccccc1 1396710 LOQSGYOWPLKBCS-UHFFFAOYSA-N 366.770 5.432 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 1517948 JHLDJPKPNUUDLA-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1ccc(NC(=O)N2c3ccccc3SC23CCCCC3)c(C)c1 1572895 SOQNEEVBPYCQKK-UHFFFAOYSA-N 352.503 6.108 0 40 FKAB C[C@@H](CCOP(=O)(O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 1688921 LPOAIFBVIQAMFA-HOTGVXAUSA-N 350.480 6.045 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1940031 XUYJQVGSXLOJRL-FPYGCLRLSA-N 360.162 5.664 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2069648 XOSUNRBBJKFTPO-OAHLLOKOSA-N 357.881 5.726 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c1 2093559 JJCKVDGKYXRYLE-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCCCc1cc(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12 2139649 ZIQJWWFXRNQGKC-UHFFFAOYSA-N 368.432 6.702 0 40 FKAB biogenic O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@@H](c1ccccc1)C1CCCC1 2183342 GTQRGAZXIVSGOU-ZEQRLZLVSA-N 361.529 6.008 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1 2263698 ROKLCYHRNFLNRI-HNNXBMFYSA-N 371.440 5.656 0 40 FKAB CC(C)N(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)C(C)C 3287198 UWQYLARWGFOQQP-UHFFFAOYSA-N 366.534 5.147 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Cl 3387814 AGBDOPORALZFOH-KGLIPLIRSA-N 359.853 5.038 0 40 FKAB C[C@@H](CN1CCCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 4664827 BFOXFBPASZZZAD-KRWDZBQOSA-N 359.554 5.313 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1 5165933 RMHNOYPETLEGRL-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB COc1ccc(Oc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 5341930 MYSAOLVGZWDWAM-UHFFFAOYSA-N 368.392 5.844 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1nccc(/C=C/c2ccc(Cl)cc2)n1 5807598 DLTXCRZUQNDKJW-JIIJFUIFSA-N 372.944 5.223 0 40 FKAB CC(C)Oc1ccccc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O 6047673 KAOQAOZXICWIGJ-SAPNQHFASA-N 373.452 5.597 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(Cl)c1C 6270503 NQJOPTALJQCXAX-UHFFFAOYSA-N 352.261 5.408 0 40 FKAB Cc1nc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n(C2CCCC2)c1C 7140296 SXGZQLPLTTVZQA-HNNXBMFYSA-N 367.518 5.460 0 40 FKAB COc1ccc(CNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 7538639 XGJWNFIPBPFCJF-UHFFFAOYSA-N 362.256 5.552 0 40 FKAB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 8372264 DEWJHIPRJANQIA-NRFANRHFSA-N 364.828 5.429 0 40 FKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4)cc3)oc2cc1C 10120293 PBAILBHRKYQHBY-UHFFFAOYSA-N 356.425 5.042 0 40 FKAB C/C(=N\NC(N)=O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1 13408741 IYDBAKSZTCQSKT-ZXMKOHCZSA-N 369.553 5.310 0 40 FKAB C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13672193 JKXZMIWTYLIXBT-AWEZNQCLSA-N 361.938 5.607 0 40 FKAB CC[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17268895 HNXWQJGJVUIVFN-ZDUSSCGKSA-N 366.465 5.445 0 40 FKAB CCCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 27580244 NQSPYMVFMPSNTE-UHFFFAOYSA-N 369.461 5.523 0 40 FKAB Cc1ccc2cc(COC(=O)C(C)(C)c3ccccc3)c(Cl)nc2c1 32738773 MLIDAUXZJAWTSK-UHFFFAOYSA-N 353.849 5.218 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 59200376 UTGYMZAUDAYPOM-CJPSHIORSA-N 370.665 8.274 0 40 FKAB OC[C@@H](Cc1nc2ccccc2s1)C1c2ccccc2-c2ccccc21 85388849 LFMLESSQDUTBCS-OAHLLOKOSA-N 357.478 5.260 0 40 FKAB C1=C(c2c[nH]c3ccccc23)CCN(Cc2ncc(-c3ccccc3)o2)C1 89851247 SHWWGKRUNLHGSL-UHFFFAOYSA-N 355.441 5.112 0 40 FKAB CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 97393651 AUFNUTNMRDHQLQ-GFCCVEGCSA-N 368.355 5.327 0 40 FKAB CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 100003485 AJQMFUYBFQQAKA-QGFMHUBQSA-N 368.483 7.466 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 103142404 JEFAQWROLRPOIV-OEMYIYORSA-N 372.553 5.106 0 40 FKAB C[C@H]1C[C@H](C)CN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 216841484 VAXFQKMUDFCHEL-GJZGRUSLSA-N 354.881 5.626 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(C)c(C)c1 219046921 SUYCYTUYCOHQOF-GCJKJVERSA-N 361.485 5.491 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1C 219299656 RZGYDZLMYRYXMV-RXVVDRJESA-N 353.506 5.462 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Sc1ccc(Cl)cc1 225089407 MKAVWKYXTQSEJO-CQSZACIVSA-N 361.677 5.435 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2c1 226295170 QAJXOEGKRMTIOL-UHFFFAOYSA-N 363.844 6.344 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2c(Cl)cccc2Cl)c1 228951049 COZXAHHYCUYHPB-UHFFFAOYSA-N 353.249 5.770 0 40 FKAB Cc1ccc(C(=O)c2cn(CCC[C@@H](C)F)c3ccccc23)c2ccccc12 230602539 UIDBGAPPHLZBPM-GOSISDBHSA-N 373.471 6.472 0 40 FKAB in-vitro CCc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 408624205 BNWWZJHYYZQYBT-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB Fc1ccc(Br)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250480 RYJGBXLZWPKDMQ-UHFFFAOYSA-N 371.074 5.678 0 40 FKAB O=C(O)/C=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 1505840463 CQXINRKIFVSQHW-SNAWJCMRSA-N 357.620 5.324 0 40 FKAB Cc1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)ccc1C(C)C 1775971547 TWQFGOMXPZELHG-UHFFFAOYSA-N 373.301 5.501 0 40 FKAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccccc1 633018 BQKJYBLLXYUICD-GOSISDBHSA-N 367.452 5.030 0 40 FKAB CC(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 671378 NKSBGVHKJLCUSQ-UHFFFAOYSA-N 352.865 5.331 0 40 FKAB CCCc1nc(SCC(=O)c2ccc(F)cc2)c2c(C)c(C)sc2n1 1372185 ALCIEURMLBYITD-UHFFFAOYSA-N 374.506 5.375 0 40 FKAB O=C(C[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccccc1 1646494 WTKRBWMQAHGKHB-FQEVSTJZSA-N 365.270 5.854 0 40 FKAB C[C@@H](c1ccccc1)N1CC[C@@H]1C(O)(C1CCCCC1)C1CCCCC1 2077677 CKNQGYBCGDCJJQ-WMZHIEFXSA-N 355.566 5.714 0 40 FKAB CC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 2335679 PGFQJRGWZDUSOC-UHFFFAOYSA-N 372.449 5.418 0 40 FKAB Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCCC3 2637188 CHGAWFIRVJRIHX-UHFFFAOYSA-N 364.301 5.929 0 40 FKAB Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(Cl)c1 2640034 GLLNLUUDOHGGJZ-UHFFFAOYSA-N 351.833 5.333 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c[nH]c2ccccc12 2652242 YMVVVVOLENWVIH-UHFFFAOYSA-N 354.881 5.517 0 40 FKAB Cc1cccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c1 2746109 CTCWVBWQSREUJG-UHFFFAOYSA-N 372.512 6.053 0 40 FKAB Cc1cccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)c1C 3008301 BZAOKQMXNLANTO-UHFFFAOYSA-N 369.534 5.145 0 40 FKAB CCOc1ccc(-c2nc(-c3ccccc3Br)cs2)cc1 3326588 NLYTUFQRGBPCOY-UHFFFAOYSA-N 360.276 5.638 0 40 FKAB Cc1cccc(C)c1Nc1c(-c2ccccc2F)nc2ccc(Cl)cn12 3909888 LRQOIAFJDSSCAM-UHFFFAOYSA-N 365.839 6.154 0 40 FKAB CCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccc(C)c2)s1 4982507 WRQAKYPFCCRXIV-UHFFFAOYSA-N 369.465 5.100 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3cccc(SC)c3)n2)cc1C 5222548 AWPOPUVOIKZBDC-UHFFFAOYSA-N 370.499 5.101 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6205388 WTIOAMAOKZKOBG-UHFFFAOYSA-N 362.473 5.662 0 40 FKAB FC(F)(F)c1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 6971749 IVBSRPHPGFQFTO-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB Cc1cc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1C 8051782 NGUNOBKCPCOMQO-UHFFFAOYSA-N 354.837 5.340 0 40 FKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 8653726 MBPIAHWUSUKDGB-HSZRJFAPSA-N 355.441 5.099 0 40 FKAB Cc1ccc(OCc2nc(C(=O)Nc3cccc(Cl)c3C)cs2)cc1 12775155 OEDPVNODGSFZIA-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OCC 13041448 LMPGXTDPDLOJML-MHWRWJLKSA-N 357.837 5.020 0 40 FKAB CCOc1ccc([C@H]2N(CC)c3ccccc3-c3nc4ccccc4n32)cc1 13777183 WDECPZMLABWVLO-DEOSSOPVSA-N 369.468 5.489 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2cccc(F)c2)o1 13946332 HFJMMSJBZOHLNZ-UHFFFAOYSA-N 357.384 5.590 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14399141 KFDVFCBWZNQTDF-GFCCVEGCSA-N 366.288 5.697 0 40 FKAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1 20025383 RXZDFQDYKKDGLR-VIFPVBQESA-N 373.077 5.247 0 40 FKAB O=C(c1cc2cc(Br)ccc2o1)c1ccc(Cl)cc1Cl 20298873 FJLNTGSMPVRNGY-UHFFFAOYSA-N 370.029 5.733 0 40 FKAB Cc1cc(C)cc(N(C(=O)C2CCOCC2)c2nc3ccccc3s2)c1 24637713 LQNWHRBTLBWGBT-UHFFFAOYSA-N 366.486 5.004 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)cc1 30852125 BSEOITGYFUWHQH-XMMPIXPASA-N 373.496 5.362 0 40 FKAB Cc1nc(Cc2nc(-c3cc(C)n(CC(F)(F)F)c3C)cs2)cs1 65504678 DVZMMVXFIXFHTD-UHFFFAOYSA-N 371.453 5.146 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(Cl)c1Cl 78506154 CSKHBRQFBASXSJ-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB C[C@H](/C=C\c1ccc(Br)cc1)c1ccc(Br)cc1 95934711 ZIBMZYVKNSKPBU-ZZKXABKFSA-N 366.096 6.029 0 40 FKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 96570033 GSONVHVRQDFREG-VXKWHMMOSA-N 371.436 5.312 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)O[C@@H](C)C(C)(C)C)ccc12 98095547 CYDMOFDZVMDHJF-BUBHHJDNSA-N 372.785 5.408 0 40 FKAB Clc1ccc([C@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101166877 QRAXSQDCVMQGOW-CTNGQTDRSA-N 359.860 5.836 0 40 FKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](C(C)C)C3=C(O)C2)cc1 102740810 JIOFYVQBPDJADQ-KSSFIOAISA-N 352.434 5.207 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(C)c1 223241406 YJDWZKRQHVTFRX-LPHOPBHVSA-N 357.519 5.060 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 223684046 PCOBCIKMBGGPEC-UGKGYDQZSA-N 367.533 5.789 0 40 FKAB CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c2ccccc12)C1CC1 225837254 RGJCWAALLQUZFQ-QFIPXVFZSA-N 355.478 5.018 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225863554 ATZPZDGXTALNKJ-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB Cc1ccccc1NCc1c(OCc2ccccc2)ccc2ccccc12 409110695 FYISREXVOKTSCH-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 722636 XDZYXTXZTVZUSD-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccccc1F 924392 BILRYCPYUPBPBQ-UHFFFAOYSA-N 354.450 5.030 0 40 FKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Cl)cc3)c1-2 2053543 OPFWBZQAUITJJQ-UZYVYHOESA-N 372.946 6.331 0 40 FKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1CC(=O)c1ccccc1 2065956 HLVFDTKZSWZBLN-AREMUKBSSA-N 369.508 5.864 0 40 FKAB CCCSc1nc(SCC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2335639 BBLQUWFSLMCNDS-KRWDZBQOSA-N 368.593 5.547 0 40 FKAB CCCC(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C 2346468 SXQSJZMWOSMPIL-UHFFFAOYSA-N 363.573 6.205 0 40 FKAB CC1CCN(C(=O)Nc2c(Cl)nsc2-c2ccccc2Cl)CC1 2555873 YUBMZSPHZQHZTR-UHFFFAOYSA-N 370.305 5.381 0 40 FKAB Clc1ccc(-c2nnsc2Sc2ccccc2Cl)cc1Cl 3128719 PJJAYUSRMCZJMG-UHFFFAOYSA-N 373.717 6.317 0 40 FKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccc(F)c(F)c1 3235402 WCUALCOJGLTXSW-UHFFFAOYSA-N 363.816 5.502 0 40 FKAB Cc1ccc(C(C)(C)C)c(OC(=O)Cc2ccc(-c3ccccc3)cc2)c1 3294184 ZSQQVZOVOIQMOZ-UHFFFAOYSA-N 358.481 6.108 0 40 FKAB CCCC1CCC(c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)CC1 3584803 ZREPLGCMJMYLKF-UHFFFAOYSA-N 364.464 6.617 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccccc2)(c2ccc(OC)cc2)CCO1 4027780 AORUYRRSSDYQJW-DNQXCXABSA-N 367.533 5.092 0 40 FKAB biogenic CCc1cccc(C)c1Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 4734151 VSMIFXGDVRUQJW-UHFFFAOYSA-N 362.864 5.664 0 40 FKAB OC1(c2ccccc2Cc2ccccc2)c2ccccc2Oc2ccccc21 4769006 GCABHMMCOXXIPJ-UHFFFAOYSA-N 364.444 5.667 0 40 FKAB CC(C)COc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 5089555 MXTBIBNJJIJTEK-UHFFFAOYSA-N 361.441 5.766 0 40 FKAB CCCCCC(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 5250131 PTJRKHXFOVBDGR-OAHLLOKOSA-N 365.732 5.108 0 40 FKAB COc1cc2c(cc1OC)-c1cc(C34CC5CC(CC(C5)C3)C4)cn1CC2 5428109 YWIFPIQVBWQRTG-UHFFFAOYSA-N 363.501 5.196 0 40 FKAB CN(Cc1ccccc1Cl)C(=O)COc1ccccc1-c1ccccc1 5458678 BJGSQPIZTFQUQL-UHFFFAOYSA-N 365.860 5.044 0 40 FKAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(Cl)c1Cl)CC3 5567467 ACHYLPRXGVKWHS-UHFFFAOYSA-N 368.219 5.046 0 40 FKAB Cc1ccc(Oc2nc(SCc3ccccc3)nc3ccsc23)cc1 5929265 MKIYDHYAAXJYSI-UHFFFAOYSA-N 364.495 6.084 0 40 FKAB Cc1ccc(CN2C(=O)C3=C(CCCC3)[C@@H]2c2c(C)n(C)c3ccccc23)o1 6079452 RWEONZLNRSTDON-HSZRJFAPSA-N 374.484 5.342 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)Nc1cccc(Cl)c1 6344563 AUWCQHSRGRFJNA-UHFFFAOYSA-N 368.889 6.276 0 40 FKAB CCOc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC 6350960 LWPCXTITEUCZMM-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB O=C(CSC1=NC2=C(CCCC2)C2(CCCCC2)N1)c1ccccc1 6440884 RFNZCPOJXGMAIO-UHFFFAOYSA-N 354.519 5.093 0 40 FKAB O=C(CNc1ccccc1Cl)Nc1ccccc1Oc1ccccc1 7971723 JWKRFMULIYJRLO-UHFFFAOYSA-N 352.821 5.183 0 40 FKAB Cc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9199782 CIRPQQSLYIGBJZ-UHFFFAOYSA-N 372.493 5.851 0 40 FKAB Cc1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235651 ZPXGXKPCKCRBKU-UHFFFAOYSA-N 370.905 5.278 0 40 FKAB COc1ccc(C(C)=O)cc1CSCc1csc(-c2ccccc2)n1 12858593 WQUYVNZHEDKLFD-UHFFFAOYSA-N 369.511 5.455 0 40 FKAB COc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 16346769 FPMDZMNCHQMMSX-PKNBQFBNSA-N 367.832 5.569 0 40 FKAB CC(C)c1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 20102526 OFTBUILARRFDST-UHFFFAOYSA-N 369.515 5.206 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 20107077 LRTARXHXAGFRJZ-CYBMUJFWSA-N 368.329 5.412 0 40 FKAB CCSc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 20458369 ZVDAKLOXRMJPRJ-UHFFFAOYSA-N 361.510 5.836 0 40 FKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(Cl)c1Cl 28210370 YUIOGMFZCYSEOP-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)Cc1ccsc1 31492513 BLBHCYNSHOVBKT-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB O=C(CCSCc1csc(-c2ccsc2)n1)Nc1ccccc1 32779141 XLEYBZNLYLUYOT-UHFFFAOYSA-N 360.529 5.134 0 40 FKAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 33347379 CGIDRWMKGKVJTC-XDHOZWIPSA-N 366.486 5.224 0 40 FKAB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 40005228 WROYRKHIVBEPII-GFCCVEGCSA-N 373.861 5.217 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1cccnc1 40157639 UMBOJWWYCSFAGV-UHFFFAOYSA-N 365.864 5.012 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 41008177 NRHOWUFLMREDTJ-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB CCCCc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 55142565 JNOKJXWQGLFNQP-UHFFFAOYSA-N 357.497 6.381 0 40 FKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(F)c1 67296969 OMTKEDGWZUAJLK-BZZOAKBMSA-N 372.399 5.365 0 40 FKAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(Cl)cc2Cl)S1 71287046 YTPGRFQBPPQIFN-ZDUSSCGKSA-N 356.278 5.363 0 40 FKAB CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72214285 CTJZTIBPMVTCJN-HSZRJFAPSA-N 357.501 5.577 0 40 FKAB CCSc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72217211 YMHSHJLDRQWZFR-SFHVURJKSA-N 356.491 5.057 0 40 FKAB CCc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c2ccccc2n1 95997569 GCWGSWDDXOBZCH-UHFFFAOYSA-N 357.413 5.013 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 115287845 GOUSLHSWLWAVPA-UHFFFAOYSA-N 365.498 5.149 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc2ccccc12 141256528 XKXODDZHBSVMEE-UHFFFAOYSA-N 365.476 5.678 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219301546 VWNWLEGAVWUUNU-SFHVURJKSA-N 367.489 5.339 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)Cc1ccccc1 223128112 PMIWUBKNYLLXCV-OAQYLSRUSA-N 367.533 5.279 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C 225226829 KHTRBULVQIGODR-CQSZACIVSA-N 365.901 5.207 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCCSCc2ccccc2C)c1 225599767 HEZNLNNBWQSHER-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB COc1cc(C)c(C(=O)NCCSCc2ccccc2C)cc1C(C)C 225658761 VMCNVVLQWUWNRW-UHFFFAOYSA-N 371.546 5.099 0 40 FKAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226333853 FBNNHGLFGPVRBK-XVNBXDOJSA-N 371.647 5.412 0 40 FKAB CCCCCn1cc(C(=O)Oc2cccc3ccccc23)c2ccccc21 299817242 OPGWGURMDQAFPD-UHFFFAOYSA-N 357.453 6.204 0 40 FKAB in-vitro O=C(N[C@H](c1ccsc1)c1cccs1)C1(c2cccs2)CCCC1 390826704 OROYKUNTMJNMST-QGZVFWFLSA-N 373.568 5.589 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 408629328 XBQWWZFMPKMNOG-SFHVURJKSA-N 366.505 5.497 0 40 FKAB Clc1ccc(CSc2nc3cc4ccccc4cc3[nH]2)c(Cl)c1 409392366 PIZBXXKIYJMGJP-UHFFFAOYSA-N 359.281 6.315 0 40 FKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C)c1CC 994617 MLNCWYJXGRKDOO-UHFFFAOYSA-N 367.470 5.201 0 40 FKAB c1coc(CNc2nc(Nc3cccc4ccccc34)nc3ccccc23)c1 1105530 CKTUCRSXCFKMAB-UHFFFAOYSA-N 366.424 5.732 0 40 FKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)cc1 1360016 CQQWMCVBFRPQSA-GOSISDBHSA-N 369.509 5.002 0 40 FKAB c1ccc(-c2csc3ncnc(Oc4ccc5ccccc5c4)c23)cc1 1746313 DVTGSQKOXZGQBM-UHFFFAOYSA-N 354.434 6.304 0 40 FKAB Cc1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3F)s2)cc1 2058790 XOOIHCAAJDOBAD-UHFFFAOYSA-N 352.356 6.020 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)c(C)c(-c3ccccc3)n2)cc1 2159253 GFUKLGGMHUMIKD-UHFFFAOYSA-N 351.449 6.400 0 40 FKAB CCCCSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2210056 RZEIFKIEBDEONL-UHFFFAOYSA-N 354.566 5.157 0 40 FKAB O=C(/C=C/c1ccc(Br)o1)Nc1cc(Cl)ccc1Cl 3182567 NFTNREMGLMUJFY-ZZXKWVIFSA-N 361.022 5.001 0 40 FKAB Cc1nc2ccccc2nc1CSc1ncc(C(F)(F)F)cc1Cl 3456143 IIPFTTDMRWFJFU-UHFFFAOYSA-N 369.799 5.298 0 40 FKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(C)c(Cl)c1 3651639 GVEILPFBCALCEK-UHFFFAOYSA-N 365.970 6.051 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 3885047 GCWVEUXRHJDYRU-ZHACJKMWSA-N 353.780 5.212 0 40 FKAB CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 3900875 PXSRAKRMKVQHQD-UHFFFAOYSA-N 361.272 6.227 0 40 FKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1Cl 4176292 WBRLGLGKCJIWQG-UHFFFAOYSA-N 371.845 5.107 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)nc2c1 4184174 VHDMQNJPRZZMFT-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 4545494 AGIVSABCAYSXSN-YJYMSZOUSA-N 368.546 5.989 0 40 FKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4853973 PUOXIOJLSNXIOS-GMAHTHKFSA-N 374.871 5.891 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccccc1Oc1ccccc1 5185884 VXQAFVIGUVOMCG-UHFFFAOYSA-N 365.432 5.983 0 40 FKAB Fc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccc(F)cc3)C2)cc1 5514945 MPTSDMWTQADIKJ-NRFANRHFSA-N 368.814 5.974 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2)c1 5900513 QZCXIOXBSLKSND-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(-c2ccccc2C(F)(F)F)o1 6227259 NAWFWYBBWSOORD-UHFFFAOYSA-N 365.738 5.871 0 40 FKAB CCCCOc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 7348832 SDIHYCASNMYWEH-UHFFFAOYSA-N 354.475 5.344 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCc2sccc2[C@@H]1c1cccs1 7947511 PXQKQAXIOYCIGZ-LJQANCHMSA-N 365.479 5.344 0 40 FKAB COc1cc(CNC2CCCCC2)ccc1OCc1ccccc1Cl 8472119 ZODGTPNIUMXYAN-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB CC1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1 9698137 WDLPVOCSRMMCGD-UHFFFAOYSA-N 352.865 5.085 0 40 FKAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCc2ccccc21 12823825 UMPUOCQUCLGVOR-UHFFFAOYSA-N 372.449 5.273 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(F)(F)F)c1 20456785 QQNFAVLUDPBVSC-INIZCTEOSA-N 351.368 5.118 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20489635 XSBNOVDLNRWUHF-NRFANRHFSA-N 355.547 5.440 0 40 FKAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1 22053594 XQVGCSLYVFBRNH-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 22522517 KIRWFFDZYWBOPY-MRXNPFEDSA-N 354.302 5.181 0 40 FKAB COc1ccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)c(OC)c1 26466159 BVOZLOANEVAVJN-QHCPKHFHSA-N 373.456 5.090 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1 30851432 WFEJCSRQJLRKMU-SFHVURJKSA-N 361.510 5.778 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCCc2cc(Cl)ccc21 31926257 ZTQJWQJGTLZKGO-UHFFFAOYSA-N 374.918 5.426 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1cccs1 32768381 ZWMSHLVVLYMTLY-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB CC(C)c1ccc(-n2nnnc2C2(Nc3ccccc3)CCCCC2)cc1 35622677 CXEAFYOANVQXIM-UHFFFAOYSA-N 361.493 5.057 0 40 FKAB CCC(CC)c1nn2cc(-c3cccc(Br)c3)nc2s1 40963843 NRFDSYQGKFHWIM-UHFFFAOYSA-N 350.285 5.124 0 40 FKAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1Oc1cccnc1 57309846 GUJWRBVTXCFZHK-UHFFFAOYSA-N 372.346 5.453 0 40 FKAB Clc1cc(-c2nc3c(ccc4ccccc43)o2)ccc1Br 57351635 VQWXJYDBNBEZCO-UHFFFAOYSA-N 358.622 6.064 0 40 FKAB CN(CC1CC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 58005787 XRDSWOSPPZUCBR-UHFFFAOYSA-N 350.849 5.037 0 40 FKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCCC)cc3)cc2)CC1 100003646 JYNBIXBHAKVVBW-GUOBSTCESA-N 362.601 8.550 0 40 FKAB Cc1ccc(-c2cc(C(F)F)nc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1 101261532 UMQLOZXZOBPZCA-KSFYIVLOSA-N 371.475 5.795 0 40 FKAB Cc1ccnc(N(Cc2cccc(C(F)(F)F)c2)C(=O)OC(C)(C)C)c1 199719917 KMHALCMWTBAQSJ-UHFFFAOYSA-N 366.383 5.351 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc(C)c1Cl 223198234 BODNKAVRSVVYHQ-HZPDHXFCSA-N 371.908 5.090 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4cccc(C)c4)Oc4ccccc4[C@H]3C2)cc1 244983923 IXTQWBBQOBHRDH-VWNXMTODSA-N 354.453 5.546 0 40 FKAB CSCC[C@@H](C(=O)Nc1cccc2c1ccn2CC(C)C)n1cccc1 575444022 QXWTUVNHTQQMET-FQEVSTJZSA-N 369.534 5.032 0 40 FKAB CC(C)c1nc(CC2CCCC2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265646 WKPRFUMROOUJCL-UHFFFAOYSA-N 357.881 5.956 0 40 FKAB Cc1cc(Oc2ccc(Cl)cc2)nc(SCC(=O)c2ccccc2)n1 649398 KFZWWEXVDZOWCV-UHFFFAOYSA-N 370.861 5.206 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)c1 1022529 JFEXBBUUAPQPJA-MHIUNMELSA-N 353.465 5.539 0 40 FKAB aggregator Brc1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1 2227903 VUQCHOGXZNSPHL-UHFFFAOYSA-N 360.254 6.331 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1cc(OC)ccc1Br 3553483 HZFUWTQWLATYNY-LBPRGKRZSA-N 362.267 5.224 0 40 FKAB CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](C)C2 4194468 PNBLMCSFJZKFIA-NSHDSACASA-N 356.516 5.498 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)cc1 4970335 JUSRLSLOHSKGNR-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3c(Cl)cccc3Cl)sc2c1 5619182 DZVUWHJHFAKBOY-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB Cc1ccccc1CSc1nnc(SCc2ccccc2C)s1 5884540 XXTMEQDBXTUILB-UHFFFAOYSA-N 358.557 5.740 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2ccncc2)n1C 6139395 LHHJYHNCBUHJLB-UHFFFAOYSA-N 366.534 5.084 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 6857401 LPWXAZMXTFGCAZ-UHFFFAOYSA-N 354.321 6.558 0 40 FKAB CCOc1c(Br)cc(CNc2ccccc2Cl)cc1OC 6957997 OFMSRCIWCIKLEJ-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2sccc2C)cc1 7990916 GFYUXSTXRKXIBD-UHFFFAOYSA-N 353.443 5.500 0 40 FKAB Cc1ccc(C2=NNC(Cc3ccccc3)(Cc3ccccc3)S2)cc1 8372362 IWLUXLXHDBRQLV-UHFFFAOYSA-N 358.510 5.175 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@@H](C)c1ccccc1 9355401 ZAPJTWFLFOHGKW-XDHUDOTRSA-N 366.464 5.783 0 40 FKAB C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C(C)(C)C)cc1 10276213 SBXISEJYGGGRST-GOSISDBHSA-N 364.533 5.071 0 40 FKAB CCc1ccccc1NC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 13041321 CMIDQECPMCIRKT-UHFFFAOYSA-N 361.869 5.198 0 40 FKAB CC(C)c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 13815189 DXEGBNDUEHDQML-UHFFFAOYSA-N 353.318 5.603 0 40 FKAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1 13953268 BBMXKTSRVFGBSD-CALCHBBNSA-N 374.484 5.029 0 40 FKAB Cc1ccc(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 17311309 GILZQETYELUPHR-UHFFFAOYSA-N 364.876 5.191 0 40 FKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(Cl)cc2)cc1 22072983 HTTOREFPALZEFN-UHFFFAOYSA-N 365.864 5.854 0 40 FKAB CSc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22245913 BROHEUVVRVVJKS-UHFFFAOYSA-N 373.478 5.308 0 40 FKAB Cc1c(C(=O)N(Cc2cccs2)c2ccc(F)cc2)oc2ccccc12 28286894 MJXNLNRLAIYMIR-UHFFFAOYSA-N 365.429 5.789 0 40 FKAB Cn1c(-c2cccc(C(F)(F)F)c2)ccc1-c1nnc(-c2ccco2)o1 67299930 SHYQEQWSIKJTLB-UHFFFAOYSA-N 359.307 5.021 0 40 FKAB CCOc1ccc(F)c(C(=O)Nc2cc(-c3ccco3)ccc2F)c1F 89818949 PSHBPZPSINVBNN-UHFFFAOYSA-N 361.319 5.015 0 40 FKAB C1=C2[C@H]3CCCC[C@@H]3O[C@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]2CCC1 101105821 VGZDMJBYELSMKA-ZKGSSEMHSA-N 360.521 5.379 0 40 FKAB CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 101637127 KIXGFZRPUASEFM-SSUZURRFSA-N 371.524 5.462 0 40 FKAB Clc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102565428 MSZSVKLWWXBMIP-FQEVSTJZSA-N 358.832 5.141 0 40 FKAB Clc1ccc(/N=c2/scc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 102962658 WYJOTHJYNDROQN-HYHOCUEZSA-N 370.905 5.281 0 40 FKAB C[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 222671597 RRWMKSQXTKJRDW-GOSISDBHSA-N 359.513 5.947 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465588 SWAGHTVUODJJRW-UZLBHIALSA-N 359.897 5.300 0 40 FKAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCC 224695501 HYURYZKJQCCJGD-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4cccc(Cl)c4)cc3)nc2c1 225261644 HLOQKEQKQMADDV-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C 225337686 PBWGUPFRLKTRPL-CQSZACIVSA-N 350.289 5.420 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225698277 XMXLATAAYHNDDB-QFIPXVFZSA-N 355.478 5.190 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 408622759 RJJDUCCTPFJRQF-UHFFFAOYSA-N 373.250 5.242 0 40 FKAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)c1 409000521 TVYUXCRLXHBGBK-FKBYEOEOSA-N 355.437 5.164 0 40 FKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 409094696 FIDPFQRFSZCUPL-UHFFFAOYSA-N 373.909 5.489 0 40 FKAB CCc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409109636 IMLXCPKLSBGGKT-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc(Cl)cc2)c1 409110551 WJTRFKRSHIORPR-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cc2ncn([C@H](CC(=O)c3ccccc3)C3=CCCC=C3)c2cc1C 1772491143 HKAKYIWPAMXEPC-JOCHJYFZSA-N 356.469 5.744 0 40 FKAB O=C(O[C@H](c1cccc(Cl)c1)c1nccc2ccccc12)c1ccccc1 629065 BHDQMIWSAUUEEI-JOCHJYFZSA-N 373.839 5.835 0 40 FKAB O=C(NCc1ccccc1)c1cccc(COc2cccc3ccccc23)c1 672865 OHDXTJNJONATHS-UHFFFAOYSA-N 367.448 5.349 0 40 FKAB C[C@]1(C(=O)Nc2cccc(Cl)c2)CC2c3ccccc3C1c1ccccc12 825298 XCDBQXXGCSUWRQ-IWAAJCSBSA-N 373.883 5.966 0 40 FKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)cc1 981475 NPQDVUSKMAEVDL-XNTDXEJSSA-N 359.472 5.184 0 40 FKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)c1cccs1 1083214 NDNFYOQQLDMSGX-UHFFFAOYSA-N 350.468 5.062 0 40 FKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCC(C)C)ncnc32)cc1 1447578 NAVXSBOAKSEHJL-UHFFFAOYSA-N 356.473 5.464 0 40 FKAB C[C@@H]1CCCCN1c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1774693 YWAWBODWGXXKGY-QGZVFWFLSA-N 359.517 5.973 0 40 FKAB CC(C)=CCC/C(C)=C/COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 2134210 OXGQHWNNUNQVHI-XNTDXEJSSA-N 372.892 6.007 0 40 FKAB biogenic COc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 2218556 PSEDPVVCHCQEAH-UHFFFAOYSA-N 372.472 5.580 0 40 FKAB FC(F)(F)[C@@](F)(Cl)[C@@](F)(Cl)Sc1c[nH]c2ccccc12 2256800 CBJUZZYVUOQKRP-ZJUUUORDSA-N 350.139 5.589 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 3243525 YGZBRZBWWQCYEO-UHFFFAOYSA-N 374.937 5.202 0 40 FKAB FC(F)(F)c1cnc(SCc2cccc3ccccc23)c(Cl)c1 3384330 YTVQNZPFDYOLKJ-UHFFFAOYSA-N 353.796 6.199 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccc(OC)cc2)(CCC(C)C)CCO1 4073132 PGHBRKUZBUZSHJ-DHIUTWEWSA-N 361.570 5.577 0 40 FKAB biogenic CCOc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)cc1 5043118 FNYDAZIDBANIIF-UHFFFAOYSA-N 370.861 5.555 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1csc2c1CCCC2 5070102 PXYULTLMTZKFRX-UHFFFAOYSA-N 359.800 5.551 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(Cl)c(C)c1Cl 5524360 XZAYNBYDWJBGPA-GOSISDBHSA-N 360.369 6.018 0 40 FKAB O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@H]1c1ccccc1 5551105 DQVQNFUWHJDKHJ-QHCPKHFHSA-N 355.481 5.572 0 40 FKAB Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CCC(C)C 6314929 UXWDYRBONDBOJH-UHFFFAOYSA-N 355.507 5.002 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 6478921 OBFVSPBTEQRIGX-UHFFFAOYSA-N 363.844 5.061 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2ccccc2)cc1 6945845 AHEBKBPBQGAOHN-UHFFFAOYSA-N 354.453 5.796 0 40 FKAB Cc1c(Cl)c(CSc2nnc(C3CC3)n2C2CC2)nc2ccccc12 7905355 HVBNCRMNQHCWGF-UHFFFAOYSA-N 370.909 5.293 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1F 8472242 TUOMUQLFWUFLDF-UHFFFAOYSA-N 357.469 5.226 0 40 FKAB O=C(Oc1ccc2c(Cc3ccc(Cl)cc3)noc2c1)c1ccccc1 11854125 TVCBPBWBSZCJTC-UHFFFAOYSA-N 363.800 5.291 0 40 FKAB biogenic CCOc1ccc(Nc2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1 11907646 PGDYRGPQLIQRGZ-UHFFFAOYSA-N 367.452 5.953 0 40 FKAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccccc3Cl)cc2)CC1 12550800 MLFHIATYQUKEAE-INIZCTEOSA-N 371.912 5.015 0 40 FKAB Cc1nc(-c2ccc(NC(=O)CCCC(=O)c3cccs3)cc2)cs1 12989277 CSGQTCLEYJOPFH-UHFFFAOYSA-N 370.499 5.172 0 40 FKAB Cc1cccc2c1N(C(=O)c1sc3ccccc3c1Cl)[C@@H](C)C[C@H]2C 15082408 LMWDHWWJWROSRM-KGLIPLIRSA-N 369.917 6.406 0 40 FKAB Cc1ccc(Nc2ncc(-c3nc4cc(Cl)ccc4o3)cn2)cc1C 16312561 AGEUTFWRWGSYJI-UHFFFAOYSA-N 350.809 5.299 0 40 FKAB O=C1O/C(=C(\Br)c2ccc(Cl)c(Cl)c2)c2ccccc21 17224405 ZQFZNUGBXGOFGL-YPKPFQOOSA-N 370.029 5.385 0 40 FKAB Cc1nc(SCc2coc(-c3ccccc3)n2)n(C2CCCCC2)c1C 24932903 BOUGBKPYCOGAFI-UHFFFAOYSA-N 367.518 5.952 0 40 FKAB Cc1ccc(-c2c(C)nn3c(Nc4ccc(Cl)cc4)cc(C)nc23)cc1 27585774 YSNGEFWPTXKFBM-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB O=C(N(Cc1ccco1)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 27795277 DMEXRDGNRKSBDS-UHFFFAOYSA-N 369.892 5.683 0 40 FKAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c2cccnc12 28293290 IIVMPBVFWWISHR-UHFFFAOYSA-N 368.436 5.014 0 40 FKAB Cc1ccc(Oc2ccccc2NC(=O)COc2cc(C)ccc2C)cc1 32996170 FLFIZLHNECJVEI-UHFFFAOYSA-N 361.441 5.422 0 40 FKAB Cc1cccc(-c2csc3c(=O)n(Cc4ccccc4Cl)cnc23)c1 38654626 ABFBTHBHLNFDMV-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 44900410 XSKVPVVUAZPZGK-XAPRQVHKSA-N 363.954 5.296 0 40 FKAB O=C(c1ccccc1Nc1ccc(OC(F)F)cc1)N1CCCCCC1 58393314 KNCIPXGLDZXXDM-UHFFFAOYSA-N 360.404 5.048 0 40 FKAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1sccc1C1CC1 60458026 REYGCFUFZAYIDH-MRXNPFEDSA-N 363.429 5.034 0 40 FKAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72214345 KAQQKJYFOBXLAK-LJQANCHMSA-N 367.493 5.156 0 40 FKAB O=C(Nc1ccc(-c2ccccc2)cc1)N(C[C@@H](O)c1ccccc1)C1CC1 75093679 OHPBEYHSPALWQB-HSZRJFAPSA-N 372.468 5.084 0 40 FKAB Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 95116779 ADGMPUOGZXKZGA-XLIONFOSSA-N 350.418 5.130 0 40 FKAB CCC(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@H]1c1ccco1 102675076 CCPHXYNGLKRTDR-YEJXKQKISA-N 350.418 5.092 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 219053117 MLWBNTXXKAJJKI-LSDHHAIUSA-N 359.897 5.282 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCCCCC1 225852960 CVYJXXHNZFIIMK-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3cccc(-c4ccccc4C(=O)O)c3O2)c1 257236516 HCOBDHKPZPOBOJ-RUZDIDTESA-N 372.464 5.687 0 40 FKAB CCOc1ccc2ccccc2c1-c1nc(O)c2c(C)c(C)sc2n1 408734505 HDSPWJKGWXVRBU-UHFFFAOYSA-N 350.443 5.233 0 40 FKAB CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 1547139853 CRRKVZVYZQXICQ-QTPSSFORSA-N 358.522 5.086 0 40 FKAB CSc1c(CC(=O)Nc2ccc(Cl)cc2)n(C)c2ccc(C)cc12 705286 CCDQGPWZIWVPJT-UHFFFAOYSA-N 358.894 5.043 0 40 FKAB O=C(Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 888332 MMWYGGWSRMFXFL-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1 904204 RYRSZSHSDBRHLI-UHFFFAOYSA-N 370.294 5.427 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)C1c2ccccc2Oc2ccccc21 995154 VKSNSPSHPVEDBM-UHFFFAOYSA-N 353.780 5.355 0 40 FKAB CCOC(=O)Cc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 1573344 YPAWKAMMAONKAG-UHFFFAOYSA-N 372.877 5.313 0 40 FKAB COc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)C(C)(C)C=C2C 2260645 HQAZSVNRGXNIBK-UHFFFAOYSA-N 356.853 5.583 0 40 FKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)[C@H](C)c1cccs1 2344908 IOHZRYDGQFPHSM-YLJYHZDGSA-N 367.514 5.781 0 40 FKAB CCc1ccccc1NC(=O)CCCSc1nc2ccccc2s1 2639488 BQNZYRBHJBXTQV-UHFFFAOYSA-N 356.516 5.370 0 40 FKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1 2721143 JSQVXQBOKCDEEN-UHFFFAOYSA-N 372.493 5.357 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(C)c3)c(-c3ccc(C)cc3)c2Cl)cc1 2733309 KTXCEFWTXGOEAI-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB Cc1ccc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2c1 2736682 VVIALCHLBMTDBF-UHFFFAOYSA-N 372.449 5.481 0 40 FKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(F)cc1 4578216 QUIAOAFPNWSUMU-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4656179 YREKUTRUZDJUJZ-NRFANRHFSA-N 360.844 5.332 0 40 FKAB CCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 4836798 FHJVMHGEWNXCIG-VGSWGCGISA-N 364.489 5.096 0 40 FKAB Cc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 5023206 DIXYEYQXFIZXBF-UHFFFAOYSA-N 358.850 5.143 0 40 FKAB Clc1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1 5338532 CKMGGAMLJNLADK-UHFFFAOYSA-N 355.828 5.894 0 40 FKAB CC(=O)c1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 5442188 YQNWTVFQQZHOTM-UHFFFAOYSA-N 353.462 5.154 0 40 FKAB CCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5463920 UQFQYSCEBDFAHO-UHFFFAOYSA-N 352.865 5.475 0 40 FKAB CC(C)c1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 5584320 XVDUPILZEAAZKR-UHFFFAOYSA-N 373.543 5.306 0 40 FKAB Cc1cc(OCCCC(=O)Nc2c(C)cccc2C(C)C)ccc1Cl 6232115 SMKHFGPQFOUDKL-UHFFFAOYSA-N 359.897 5.878 0 40 FKAB CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2ccccc21 6649904 ADUUAUJAUGRBFG-LLVKDONJSA-N 356.476 5.021 0 40 FKAB Cc1ccsc1[C@@H]1Nc2ccccc2[C@@H]2c3[nH]c4ccccc4c3CCN12 6674705 RMSNLCWEXPLUNX-FYYLOGMGSA-N 371.509 5.610 0 40 FKAB CC(C)c1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 6782216 HBZYCUSKQBKGEY-RQOTYCFOSA-N 360.501 5.678 0 40 FKAB biogenic Fc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1Cl 7539714 BHKRZFXFWXNZPJ-UHFFFAOYSA-N 359.872 5.653 0 40 FKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1cccc(F)c1 8207146 GSDUIFZNWJUFBE-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccccc1N(C(=O)Cc1ccsc1)c1nc2ccccc2s1 8269983 CLRBHRHNGSLGQU-UHFFFAOYSA-N 364.495 5.574 0 40 FKAB O=C(Nc1ccc(-c2nc(-c3cccs3)cs2)cc1)c1ccco1 8298599 NMOCDFUKXUBZNE-UHFFFAOYSA-N 352.440 5.384 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c23)C1 12082481 GWEZRYUFIJJLIF-RXSFTSLZSA-N 355.551 5.221 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCCNC(=O)c1ccsc1 12856986 WNLMFVYKBFNJSC-UHFFFAOYSA-N 372.534 5.144 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 13709367 HRZFQRFGWVRTIL-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB O=C(Nc1c(F)cccc1F)N1c2ccccc2Sc2ccccc21 13717229 WUBSJSIZYWTVMG-UHFFFAOYSA-N 354.381 5.800 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 14258245 BCKCZZAQJZIFLI-UHFFFAOYSA-N 357.881 5.714 0 40 FKAB CC[C@]12CCC3=C(C1=CC[C@@H]2OC(C)=O)[C@@H](C)Cc1cc(OC)ccc13 16611498 GIYSITPKERYJBK-BKAZIGDYSA-N 352.474 5.093 0 40 FKAB Cc1ccc(C2=C/C(=C\c3cc[n+](C)cc3C)c3cc(C)ccc3O2)cc1 16739317 RFFYGESBMCCKDR-HYARGMPZSA-N 354.473 5.410 0 40 FKAB Cc1noc2nc([C@H]3CCCN(C[C@H]4CC=CCC4)C3)cc(C(F)F)c12 19564295 HPYMVKBEFDZIKO-GJZGRUSLSA-N 361.436 5.005 0 40 FKAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 20459245 ILCWHPLSCNXCLJ-INIZCTEOSA-N 361.485 5.637 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 22534293 VBPBZTLTTDRUOI-UHFFFAOYSA-N 356.469 5.118 0 40 FKAB COc1cccc(Nc2nc3ccccc3nc2Nc2cccc(OC)c2)c1 32647065 RPHBIGOUJDOXGO-UHFFFAOYSA-N 372.428 5.134 0 40 FKAB C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl 32910064 LOJADDROKZDQFN-LBPRGKRZSA-N 372.292 5.224 0 40 FKAB c1csc([C@@H]2Nc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 34087039 NJSHLRGCECJNPJ-FGZHOGPDSA-N 357.482 5.301 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1C(F)(F)F 51354237 CLEYJAQKNLMCOI-UHFFFAOYSA-N 364.245 5.248 0 40 FKAB Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccccc3)c2cc1Cl 57611632 JUZIKSVTNPNFIW-LJQANCHMSA-N 353.849 5.092 0 40 FKAB CN(Cc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 68787255 STZREAOZGXTFHY-UHFFFAOYSA-N 365.376 5.299 0 40 FKAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCCC2)cc1 72328977 YQJJNZZLZQJWSB-UHFFFAOYSA-N 369.509 5.098 0 40 FKAB Fc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 101175800 DLBVPRQTWXQVBV-QFIPXVFZSA-N 368.415 5.140 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl 199830551 RFTFAEUKVICIKY-CYBMUJFWSA-N 360.679 5.175 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc2c(c1)CCCC2 223108584 FEFQOFSACBTFPS-OAQYLSRUSA-N 367.558 5.947 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1C 224431033 KUWQVTNHTKXIPS-MRXNPFEDSA-N 359.425 5.609 0 40 FKAB CCO[C@]1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225718428 VOUFRAKWUHMVCS-YBOAYWMSSA-N 361.526 5.405 0 40 FKAB Cc1cc(C)cc(NCc2ccc(-c3ccc(Br)cc3)o2)c1 226239945 QMNRZOXLTSFSDM-UHFFFAOYSA-N 356.263 5.938 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 408702079 BLXNMSGSBOXXRI-QGZVFWFLSA-N 363.482 5.552 0 40 FKAB Cc1sc(-n2c(C)c3c(C)nnc(C)c3c2C)nc1-c1cccs1 807683 YHUPWJKQRVCZMP-UHFFFAOYSA-N 354.504 5.148 0 40 FKAB Cc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1Nc1ccccc1 1590652 QZWREBVJPGEIBM-UHFFFAOYSA-N 367.452 5.105 0 40 FKAB CCCCN(C)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2299161 AVRNVLAWZMHSML-UHFFFAOYSA-N 368.550 5.478 0 40 FKAB O=C(OCc1c(Cl)cccc1Cl)c1cnc(Cl)c(Cl)c1 3248025 LGZNFTIQSJBMNP-UHFFFAOYSA-N 351.016 5.052 0 40 FKAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 3329425 SRZGODNHWWIJAB-FQEVSTJZSA-N 373.452 5.029 0 40 FKAB c1ccc(COc2ccc(Oc3ncnc4c3oc3ccccc34)cc2)cc1 3371572 SAQHZYXDXIXBQS-UHFFFAOYSA-N 368.392 5.747 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(Cl)[nH]c4ccccc24)N3)C1 4571690 RQLYAEVVVRSYEF-XLFHBGCDSA-N 371.893 5.437 0 40 FKAB CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 5383903 LIUWRPDWBOKYEL-QFIPXVFZSA-N 356.469 5.755 0 40 FKAB Cc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5460329 NKFAXMRHBWNQGC-UNMCSNQZSA-N 357.432 5.630 0 40 FKAB CCCCCCOC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC 5820320 BZGXQJVPKYXMDX-GOSISDBHSA-N 362.510 5.797 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3sc4ccccc4c3Cl)nc12 6501756 HKOWCYBOAIXYRT-UHFFFAOYSA-N 372.902 6.034 0 40 FKAB O=C(OCc1nc2ccccc2o1)c1sc2cc(F)ccc2c1Cl 8521869 MVNZXGOWSODUTP-UHFFFAOYSA-N 361.781 5.192 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 8557480 HJWXHSDVHHPANO-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1 12250916 BXCFZRSCZLWNMG-UHFFFAOYSA-N 373.481 5.415 0 40 FKAB C[C@H](c1nc2ccccc2n1C(F)F)N(C)Cc1nc2ccccc2s1 12553744 OYJLLEYKPOBSAU-GFCCVEGCSA-N 372.444 5.234 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 12979081 XPCPBFFRWDIBSC-JTQLQIEISA-N 362.907 5.324 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 13708894 SSUSFERJQYUKGO-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 14651628 JVGQGUXORGLIOM-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB CCCCN(C(=O)c1ccc(Cl)nc1)c1nc2ccc(C)cc2s1 28605314 FWWWQWRRGFVNQQ-UHFFFAOYSA-N 359.882 5.100 0 40 FKAB O=C(Nc1cccc2cccnc12)c1sc2cccc(Cl)c2c1Cl 30622075 MOYBVQZSGVFUQG-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB Cc1ccc2nc(S[C@H](C)c3nc4ccccc4n3C(F)F)[nH]c2c1 32879211 RBSXHYDBCFGNGN-LLVKDONJSA-N 358.417 5.469 0 40 FKAB CC(C)(C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 32904205 GXVFRAIJVODMMX-UHFFFAOYSA-N 373.456 5.247 0 40 FKAB CC(C)c1nnc(S[C@@H]2CCCc3ccccc32)n1Cc1ccco1 32931643 JMMALXPAKUYZOM-GOSISDBHSA-N 353.491 5.213 0 40 FKAB C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127655 PSCCKLIQZPSRPP-AWEZNQCLSA-N 368.864 5.092 0 40 FKAB Cc1ccc(C)c(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 44900619 HQPAFSHLBYAGIZ-UHFFFAOYSA-N 373.540 5.952 0 40 FKAB c1ccc(C2=NN(c3ccccc3)[C@]3(SCc4ccccc43)S2)cc1 59449273 NOFAXPLASHSIMA-OAQYLSRUSA-N 360.507 5.659 0 40 FKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 72214640 PSIXEMOOVYWOSZ-SFHVURJKSA-N 361.530 5.026 0 40 FKAB O=C(c1ccccc1)c1coc2ccc(OCc3cccc(Cl)c3)cc12 96184231 ORPTZPPTSIJKEH-UHFFFAOYSA-N 362.812 5.896 0 40 FKAB Oc1ccccc1C1=C[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 101352761 OVNAUOORVGBNBB-HXUWFJFHSA-N 373.843 5.451 0 40 FKAB Cc1ccccc1OC[C@H](C)NC(=O)CC(c1ccccc1)c1ccccc1 219129554 IIZKWEOPOQBEOZ-FQEVSTJZSA-N 373.496 5.101 0 40 FKAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1Oc1ccccc1 222807226 FNDMNBAQIYJDJR-UHFFFAOYSA-N 361.441 5.620 0 40 FKAB CCc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 225496965 VVZMXNVAQNLSQS-UHFFFAOYSA-N 365.860 5.876 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c1 225533502 SOELTNOIMPYPIS-KRWDZBQOSA-N 373.924 5.288 0 40 FKAB CCOc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225810695 LRRQHIKTJWMVSO-UHFFFAOYSA-N 372.509 5.023 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ccccc12 225847088 RHAHOOSWWZLSNK-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCCc1nc(-c2cc(C)ccc2OCc2ccccc2)ccc1C(=O)O 585265020 CJXXTKSRWJPGEW-UHFFFAOYSA-N 361.441 5.287 0 40 FKAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 679981 IVEHSMCHFRYOEQ-GQCTYLIASA-N 365.241 5.362 0 40 FKAB Cc1ccccc1[C@@H]1Sc2ccccc2N=C2c3ccccc3C(=O)[C@@H]21 828885 DBNIJUSZXPFFCJ-OFNKIYASSA-N 355.462 5.775 0 40 FKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 851903 LLQQLNYICSMWEE-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1OCC 940248 LSXGOKGSNOGHON-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 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LSGWCECASXSEAU-IAGOWNOFSA-N 359.897 5.218 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)cc1 61997115 KWLIBMFDQYBNHJ-UHFFFAOYSA-N 364.445 5.390 0 40 FKAB COc1ccc(C(Nc2nc3ccccc3o2)c2ccc(OC)cc2)cc1 65489943 RWKQQRBAWDBZDD-UHFFFAOYSA-N 360.413 5.047 0 40 FKAB Cc1ccc2cc(/C=C/C(=O)Nc3ncc(Cc4ccccc4)s3)oc2c1 67339747 DFKLICYPTQMDMU-MDZDMXLPSA-N 374.465 5.440 0 40 FKAB CCOc1cc(C=O)c(Cl)cc1OCc1c(Cl)cccc1Cl 95094983 VPCZBVCFOBOGAV-UHFFFAOYSA-N 359.636 5.437 0 40 FKAB O=C(c1csc(-c2cccc(Cl)c2)n1)N(C1CCCCC1)C1CC1 95377680 PLHKAOYFXBMEJT-UHFFFAOYSA-N 360.910 5.401 0 40 FKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)n1 170564432 RJBCNUPBULBMPS-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1SC 222922338 SKFFDPABXINZIO-SFHVURJKSA-N 357.519 5.502 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C 223009345 YNAXBLDZTZGXDS-KRWDZBQOSA-N 365.517 5.497 0 40 FKAB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCCC2 223022478 AAXAZWCVQPYPAW-RUZDIDTESA-N 369.508 6.114 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1C(C)C 223319378 HYPYADKTCBHKNH-GOSISDBHSA-N 369.505 5.000 0 40 FKAB O=C(NCCOc1ccccc1Cl)c1cc2c(ccc3ccccc32)o1 224019481 IWTMKPBWIUMSTK-UHFFFAOYSA-N 365.816 5.048 0 40 FKAB O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CCCCC1 224963113 OVNYLOSSAZRLRP-UHFFFAOYSA-N 366.848 5.288 0 40 FKAB CCCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225374183 KJLQBAVBOPKQFX-UHFFFAOYSA-N 368.546 5.302 0 40 FKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCC(C)C 225521384 PUTABLUPHGMLKZ-UHFFFAOYSA-N 369.480 5.619 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)c(C)c1 225735068 NIEKAPPMIOBGRE-UGKGYDQZSA-N 367.533 5.770 0 40 FKAB COc1ccc(C2(NC(=S)Nc3ccc(C)cc3C)CCCC2)cc1 225841646 CWZMTVQCRDCHKK-UHFFFAOYSA-N 354.519 5.068 0 40 FKAB Clc1ccccc1CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 253562181 CZDNIIPCOJRLQT-UHFFFAOYSA-N 359.926 5.218 0 40 FKAB CCOc1ccc(NC(=O)N[C@H](c2ccsc2)c2cccs2)cc1 390826201 FJHXHKGQMFFVQY-QGZVFWFLSA-N 358.488 5.119 0 40 FKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1cccc(F)c1 409115152 KOAFMCJDIONFSS-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccccc2F)c1 409117937 MDUHWJWUIRVGHK-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB CN1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1 717628 MPXWIWCJZHUHQR-UHFFFAOYSA-N 367.436 5.330 0 40 FKAB COc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1 896078 UTGXVSKMYSGKBY-UHFFFAOYSA-N 368.355 5.720 0 40 FKAB CC(C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 907502 JOZYOZCHVYFFQQ-UHFFFAOYSA-N 359.882 5.000 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccc(Cl)cc1 1463210 PEWGQEWGNLXKDF-SFHVURJKSA-N 353.878 5.788 0 40 FKAB CN(C)CCCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2049805 UGOTXSLCXOYVGG-IBGZPJMESA-N 363.979 5.773 0 40 FKAB CCCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2251313 BOCDULQIMOQEBQ-UHFFFAOYSA-N 368.546 5.189 0 40 FKAB CCCCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 2404661 KUJYAJSGQKXXMA-UHFFFAOYSA-N 360.461 5.235 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 3200041 JQCABWKSCGAWKU-UHFFFAOYSA-N 370.496 6.364 0 40 FKAB N=C1c2ccccc2CN1c1ccc(N2Cc3ccccc3C2=N)c(Cl)c1 3213361 SVCYIJQMNOWDQF-UHFFFAOYSA-N 372.859 5.031 0 40 FKAB CC(=O)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 3259208 PXQSIQGUJIWWRG-UHFFFAOYSA-N 374.061 5.538 0 40 FKAB Cc1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c(C)c1 4690879 LGQAJIYFETYBHI-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB COc1ccc(Cl)cc1-c1nnc(SCc2ccccc2Cl)[nH]1 6464113 BKWHWIIRGGJOSQ-UHFFFAOYSA-N 366.273 5.079 0 40 FKAB CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1C(=O)O 6963935 ZRSWADLNHJTBCB-HZHRSRAPSA-N 361.397 5.326 0 40 FKAB CSc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10326831 QRWJLYIOZKYBFC-UHFFFAOYSA-N 365.523 5.953 0 40 FKAB CCCn1c(SCc2cccc3ccccc23)nnc1-c1ccncc1 11211009 YIMBOKKWSCLJBH-UHFFFAOYSA-N 360.486 5.196 0 40 FKAB C[C@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1F 12879047 HVYXWUXWGZGEKC-KGLIPLIRSA-N 370.855 5.310 0 40 FKAB COc1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1Cl 22107316 HDKWPUPIEPBJLS-UHFFFAOYSA-N 359.828 5.080 0 40 FKAB COc1ccccc1-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 28250404 SQVJKFHUNKOHHK-UHFFFAOYSA-N 359.838 5.116 0 40 FKAB O=C(OCc1ccccc1F)c1ccc(COc2ccc(Cl)cc2)o1 28577985 AZSDZEDEJVPBCK-UHFFFAOYSA-N 360.768 5.008 0 40 FKAB Brc1cccc(Cn2c(-c3ccco3)nc3ccccc32)c1 31903318 QPOFPDFAEZRARX-UHFFFAOYSA-N 353.219 5.107 0 40 FKAB CC(C)C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 38755054 PJNRJLIIRAJKNX-QHCPKHFHSA-N 373.496 5.783 0 40 FKAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccccc1Oc1ccccc1 40150533 OYCHNEPMZBWMLE-UHFFFAOYSA-N 364.449 5.517 0 40 FKAB CCCC[C@@H]1C=C[C@@H](/C=C\CCCCCCCC(=O)O)[C@@H](C(=O)O)C1 104042748 YFZILRWZQWRQFP-ZBCFWLGXSA-N 350.499 5.441 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@@H]1C[C@H]2C=C[C@H]1C2 104085684 XUBXFJDJYYAVSB-XHNCKOQMSA-N 371.314 5.329 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933859 OIHORBOMFNFQBP-ZGHABPONSA-N 360.538 5.166 0 40 FKAB CC[C@@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 219865402 TUXXAWDDSMJPHQ-HSZRJFAPSA-N 364.533 5.096 0 40 FKAB CC(C)C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 222799818 HQMZLEDDABQGKG-FQEVSTJZSA-N 353.506 5.267 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccc(OC(C)C)cc2)c2ccccc2O1 224338854 GVGSKOCNWNJYCR-FQEVSTJZSA-N 367.489 5.286 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225803524 RFRKTVYGTWDEEF-UZUQRXQVSA-N 371.521 5.941 0 40 FKAB Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@@H]2CCC[C@@H](C)[C@H]2C)c(F)c1 257173412 MHHRKMAVONKKHN-AJAKECSLSA-N 366.480 5.525 0 40 FKAB Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1Br 1857793499 ZRMHBHUNNCRMRE-UHFFFAOYSA-N 353.231 5.225 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)c3cccc(C)c3)c2)c1 642664 IWIUSPPVECULQG-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1 661599 XWQFPAKCLYNZEH-UHFFFAOYSA-N 374.465 5.094 0 40 FKAB c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1 984747 LASKWMUSQSNFHU-HTAPYJJXSA-N 359.519 6.376 0 40 FKAB CCc1ccc(C)c(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 2065798 PGYQKGDYZANERL-GOSISDBHSA-N 372.464 5.498 0 40 FKAB Cc1ccc(-c2cc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 2075079 PCTLBTRJDCNXEX-UHFFFAOYSA-N 355.506 6.818 0 40 FKAB Brc1ccc2nc(-c3ccco3)cc(-c3ccccc3)c2c1 2370741 BAEDYGRRXHCRJZ-UHFFFAOYSA-N 350.215 5.924 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc2c(Cl)cccc12 2427653 FDOLNIHBFKFTRP-UHFFFAOYSA-N 356.809 5.494 0 40 FKAB CCc1nc2ccccc2c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C 2642967 XOZVPNZLINHSLI-UHFFFAOYSA-N 358.363 5.377 0 40 FKAB CCCCOc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 3092763 RVHICPCSRWKOSC-UHFFFAOYSA-N 373.250 5.345 0 40 FKAB c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1 3175810 QJYKIQYLMKVDSP-UHFFFAOYSA-N 366.380 5.121 0 40 FKAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(OCc2ccccc2)cc1 3215739 ZSRQKVIYLSRLFR-NDENLUEZSA-N 361.828 5.412 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 3849961 YNJRCCQKMDWYDP-DIXQTSPWSA-N 360.582 6.233 0 40 FKAB CCOc1ccc(-c2nc(Cl)c3c(-c4cccs4)csc3n2)cc1 4204577 GCNCSAMVAOVVLZ-UHFFFAOYSA-N 372.902 6.139 0 40 FKAB CC(=O)[C@@H]1c2ccccc2[C@@](C(C)=O)(c2ccccc2)[C@@H]1c1ccccc1 5064138 RNKAQPXYHASEMI-UBFVSLLYSA-N 354.449 5.032 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cccc(C)n23)c(C)c1 5454466 HWKXGFPOXBSKHK-UHFFFAOYSA-N 366.468 6.151 0 40 FKAB Cc1ccc(O)c([C@H](c2ccc(Br)cc2)c2ccc(C)o2)c1 5542842 FSDDEYYWYZXQPS-IBGZPJMESA-N 357.247 5.545 0 40 FKAB biogenic Cc1cnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 5687626 UOTMWEINKSCXIK-UHFFFAOYSA-N 367.499 5.083 0 40 FKAB Clc1ccc(/C=C/c2nnc(SCc3ccccc3)o2)c(Cl)c1 5872912 OZVJKAAQQAWXCT-VQHVLOKHSA-N 363.269 5.839 0 40 FKAB Clc1ccc(C2=NN=C(c3ccccc3)C=C(c3ccccc3)C2)cc1 5946677 BDNIPFNULMBCPH-UHFFFAOYSA-N 356.856 6.021 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6426865 CHWHPJWAIPEJIM-LLVKDONJSA-N 357.759 5.073 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc2ccccc2c1 6496709 HYRVVLUNHADWEO-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 8007346 NDLGSRINXIZGOD-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB COc1cccc(CNC2CCCCCC2)c1OCc1ccccc1F 8495642 RBHILVJFKHVTGR-UHFFFAOYSA-N 357.469 5.226 0 40 FKAB CCCN(CCC)CC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 11617102 SCLSMFVVQCGLGK-JUJAOGAQSA-N 367.577 5.524 0 40 FKAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1 12951833 YQNXNMNBEAHLIT-CYBMUJFWSA-N 372.877 5.255 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 13709324 AWQGMSIJOKCBPG-CYBMUJFWSA-N 359.347 5.265 0 40 FKAB Cc1ccc(-c2nn(Cc3cccc(C)c3)c(-c3ccc(C)cc3)c2C)cc1 17075310 FIYSBGXJOCUHFZ-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 20025393 ISAPPNFHIRJDQE-UHFFFAOYSA-N 352.114 5.404 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20456564 LJJAMBMXKWIPMJ-SFHVURJKSA-N 350.506 5.294 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 21706783 IIRSIYNOHZPPTD-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB CCc1ccc([C@H](NC(=O)Nc2ccccc2F)c2cccs2)cc1 24769880 APXJQZRDNMUNJK-IBGZPJMESA-N 354.450 5.361 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)n1 24814167 ZUPRTKMQTZWPDQ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCOC(=O)c1sc2nc(Sc3ccc(C)cc3)cc(C)c2c1C 25066960 JRLBEQMPPCEYBM-UHFFFAOYSA-N 357.500 5.549 0 40 FKAB CC(C)c1nc(CSc2nnc(NC3CCCCC3)s2)cs1 31648878 XSRWNUHMTVKYEK-UHFFFAOYSA-N 354.570 5.155 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1C[C@@H](C)C[C@@H](C)C1 37065733 SQVXINVALFBTPV-MFEFFIJZSA-N 360.501 5.378 0 40 FKAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 49544368 ALDSZGGXGRLACA-LLVKDONJSA-N 362.216 5.111 0 40 FKAB Cc1c(F)cccc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 51354504 KFHNQLAOABEZBM-UHFFFAOYSA-N 350.393 5.357 0 40 FKAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3ccc(Cl)cc3)o2)s1 60016725 MIBSYUDGLPSXMQ-OAHLLOKOSA-N 359.882 5.097 0 40 FKAB Cc1nc2ccc3nc(NC(=O)Nc4ccccc4C)sc3c2s1 70655591 DNWRHBKUYXXAOT-UHFFFAOYSA-N 354.460 5.167 0 40 FKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 75344415 HURQXEFWZXGBGH-UHFFFAOYSA-N 357.910 5.788 0 40 FKAB COc1ccc(C(OC[C@H]2C[C@@H]3CC[C@@H]2C3)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 104189098 WGBUGNRGCZHCSG-BNNWGVOISA-N 370.533 5.599 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1OC 225677597 HDZYEGLRRMVIGG-SCLBCKFNSA-N 363.910 5.097 0 40 FKAB CCOc1cccc2c1OC(C)(C)[C@H]1CC[C@H](Cc3ccc(F)cc3)O[C@H]21 257235706 GZAFBYVELWNPIV-SLYNCCJLSA-N 370.464 5.474 0 40 FKAB Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 408588461 WHXNVVZSMAXNCZ-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 409112564 DYABHQYHUKKQPX-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C(NCCSCc1ccccc1Cl)Nc1cccc(Cl)c1 409408423 CNFMNXYHVKLJRJ-UHFFFAOYSA-N 355.290 5.048 0 40 FKAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 1392100 YKSKCTGGNCKCFG-UHFFFAOYSA-N 374.918 5.503 0 40 FKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SC(C)C)c23)CO1 2240240 GRKLHVUHMRCGNN-INIZCTEOSA-N 354.566 5.155 0 40 FKAB CCCCC[C@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2752547 FGIOTAKEHYOZJB-NSHDSACASA-N 369.292 5.655 0 40 FKAB O=C1CCCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CCCCC1 3290988 LIGCLZSDOOOHSK-GOSISDBHSA-N 373.497 5.193 0 40 FKAB CCCOc1ccc(-c2ccc(-c3noc(-c4cccnc4)n3)cc2)cc1 3583687 ZLBWMIYPDYSGBE-UHFFFAOYSA-N 357.413 5.254 0 40 FKAB CC(C)(C)c1ccc2c(c1)[C@]13CCCC[C@H]1CCC[C@]3(c1ccccc1)N2 4114307 ZWAUJSNPNCWELO-RRWZXMNXSA-N 359.557 6.917 0 40 FKAB COc1cccc([C@H]2CC(c3cccs3)=NN2c2ccccc2)c1OC 4322695 XGTDQVDAYZVJGC-GOSISDBHSA-N 364.470 5.121 0 40 FKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 4390666 MCRWCOJHKKCMTA-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB O=C(c1ccc(Cl)s1)N1CCC(c2nc3ccccc3s2)CC1 8086333 GEIBTMLKOGHXJO-UHFFFAOYSA-N 362.907 5.031 0 40 FKAB COc1cccc(-c2nc(CSc3nc4cc(C)ccc4[nH]3)cs2)c1 8134272 NNPKQLRZOSOIFG-UHFFFAOYSA-N 367.499 5.296 0 40 FKAB Cc1occc1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 8300907 GXZOVVFOMHYLJQ-UHFFFAOYSA-N 372.218 5.395 0 40 FKAB O=C(Nc1nc2ccccc2s1)c1cccc(C(Cl)(Cl)Cl)c1 8969770 OLIGEWIXHNVIFO-UHFFFAOYSA-N 371.676 5.375 0 40 FKAB Cc1cccc(C)c1NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902578 HXOJTNRRJCSPIC-UHFFFAOYSA-N 365.433 5.071 0 40 FKAB Clc1ccccc1-c1nnc(SCc2cccc3ccccc23)o1 12177982 UONVGOGGENQUJE-UHFFFAOYSA-N 352.846 5.836 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 14397459 FLWJNHRSZNIWPD-GFCCVEGCSA-N 366.288 5.697 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1cccc(Oc2ccccc2)c1 16032363 QWMKLOIQDYHNGQ-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB Clc1cccc(CN[C@H](Cc2cccs2)c2nccs2)c1Cl 19292624 WHSZVMORPBBUSD-CQSZACIVSA-N 369.342 5.585 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 20039962 MKPOIMOKRFLVRI-LAUBAEHRSA-N 353.506 5.327 0 40 FKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@@H]1c1ccccc1 32883790 NKTRXUXQNROYHV-MRXNPFEDSA-N 370.518 5.018 0 40 FKAB Clc1ccccc1SCCCSc1nnc(N2CCCC2)s1 58296527 JMTAXSKEHKRZFP-UHFFFAOYSA-N 371.984 5.066 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59960977 VIDRLSLNEVCSRY-IZZDOVSWSA-N 357.497 5.806 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 107040875 ICOVBXRVIHKALZ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118922994 SIECXYXJFIDLDH-SWLWOFJYSA-N 352.562 6.203 0 40 FKAB biogenic CC(C)Sc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C 223719543 LWLVDRMFCQLQFH-UHFFFAOYSA-N 371.546 5.293 0 40 FKAB c1ccc(OCC2=N[C@@H](c3ccccc3)c3ccccc3-n3cccc32)cc1 225373605 HBWZBKZZMXPMIW-VWLOTQADSA-N 364.448 5.448 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)CC(C)(C)O2 225673617 WMKJRYRAHXLQQX-QGZVFWFLSA-N 374.937 5.546 0 40 FKAB Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 408594703 JUYXNAZLORTDRK-UHFFFAOYSA-N 373.692 5.082 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc(C)c1Cl 408702460 GIOQUJYHZDXIEJ-HNNXBMFYSA-N 353.849 5.516 0 40 FKAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 409194442 BWJODVFRFGPRDM-XDOYNYLZSA-N 370.905 5.073 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)sc2c1 672273 OWRHSVKKNAEKSL-UHFFFAOYSA-N 359.454 5.916 0 40 FKAB CCOC(=O)c1cnc2ccccc2c1Nc1cccc(C(F)(F)F)c1 940225 KNMQBSQWGGUYKO-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB CCc1cccc(CC)c1NC(=O)C(F)(F)Oc1ccc(Cl)cc1C 1400347 IFBSNUOQAWUZQI-UHFFFAOYSA-N 367.823 5.384 0 40 FKAB O=C(Nc1ccc(F)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2293601 XYVMMHXHJDIRIO-UHFFFAOYSA-N 373.387 5.792 0 40 FKAB Fc1cccc(Cl)c1COn1c(-c2ccccc2)nc2ccccc21 3052822 ZESGEBXPNXICBR-UHFFFAOYSA-N 352.796 5.125 0 40 FKAB Cc1csc(N(C(=O)Cc2c(F)cccc2Cl)c2ccccc2)n1 3435716 GIYLRFXSQFQYFQ-UHFFFAOYSA-N 360.841 5.151 0 40 FKAB Cc1ccc(-c2nc(CCNC(=O)c3ccc4ccccc4c3)cs2)cc1 4570779 RHCUYLAEFSQZLF-UHFFFAOYSA-N 372.493 5.244 0 40 FKAB COc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)C(C)(C)C[C@H]2C 4740152 XSNNMAXABDSESF-CYBMUJFWSA-N 358.869 5.673 0 40 FKAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 4974883 DRRJWMXJIVWKKW-CSCWZEDUSA-N 356.506 5.160 0 40 FKAB CSc1ccc(Cl)c(C(=O)OCc2cccc(C(F)(F)F)c2)c1 6079000 VZVFWJUSBNFXHD-UHFFFAOYSA-N 360.784 5.438 0 40 FKAB O=C(/C=C/c1ccccc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 6227386 AURWGOLCNILYES-FMIVXFBMSA-N 373.235 6.010 0 40 FKAB CN(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1 6638999 JFHMZHGXQYAMNI-UHFFFAOYSA-N 354.519 5.041 0 40 FKAB O=C(Nc1ccc(Br)cc1)c1cccc2c(Cl)cccc12 9141617 IQMUGUCIMSERCX-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1OC(F)F 12796582 GKJAIIADONHWIN-UHFFFAOYSA-N 366.414 5.034 0 40 FKAB O=C(Nc1cc2ccccc2nc1-c1ccccc1Cl)c1ccccc1 13283025 VORSTCWAIXIXSM-UHFFFAOYSA-N 358.828 5.808 0 40 FKAB C[C@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)c1ccc(N(C)C)cc1 15082437 DVFQPLOCCCKYQP-MRXNPFEDSA-N 372.468 5.013 0 40 FKAB O=C1C[C@@H](c2ccco2)Cc2nc(Nc3ccc(Cl)cc3Cl)ncc21 17207403 KDSHBKBHQROHBD-JTQLQIEISA-N 374.227 5.033 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 18709377 GRFZBZPOKGVGCT-NSHDSACASA-N 371.836 5.202 0 40 FKAB Cc1nc(-c2nc(-c3ccncc3)ncc2-c2ccsc2)sc1C 19560970 GUTPRWOLKSZNMJ-UHFFFAOYSA-N 350.472 5.007 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(C)cc1 20104381 UZOPWEMENBRCBE-QFIPXVFZSA-N 361.485 5.055 0 40 FKAB CC(C)c1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)cc1 27585283 JOMRNLVDRFFQLI-UHFFFAOYSA-N 370.500 6.387 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)cc(Cl)c1 30854686 PGIHFQGGQZCHIE-INIZCTEOSA-N 352.261 5.406 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)on1 40086742 KXBYQUIJRLTESJ-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB CCOC(=O)c1cc(/C=C/c2cccc(Cl)c2)nc(-c2ccccc2)n1 40146048 ZJWNAGCIUGQTHZ-VAWYXSNFSA-N 364.832 5.144 0 40 FKAB FC(F)(F)c1cc(NCc2nc(C3CC3)no2)ccc1-c1ccccc1 75120728 VRULUYUALPYFSY-UHFFFAOYSA-N 359.351 5.245 0 40 FKAB Brc1ccccc1NCc1cccc(OCc2ccccn2)c1 84506999 STBYQDYTEMXLBM-UHFFFAOYSA-N 369.262 5.035 0 40 FKAB CCCCCN(CCCCC)CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104032518 SOZHRVNSGBVVPJ-IPJJNNNSSA-N 351.575 5.427 0 40 FKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1 224085125 ISKDTSQZFJUVHY-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 224566235 CVWPSHZCOHRPEB-CYBMUJFWSA-N 366.288 5.831 0 40 FKAB Fc1cccc(C2=N[C@@H](c3ccccc3)c3ccccc3-n3cccc32)c1 225374001 HJUSUPCNBYHSJU-QHCPKHFHSA-N 352.412 5.557 0 40 FKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)NC1CCCCC1 225757146 QTOPXSBQLSQQFR-UHFFFAOYSA-N 374.868 5.595 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225821110 HURRDZPYSFMQGR-GAJHUEQPSA-N 371.521 5.797 0 40 FKAB CC(C)Cn1c(SCc2cccc3ccccc23)nnc1-c1ccncc1 409109087 XOVBJQANCJEHCL-UHFFFAOYSA-N 374.513 5.442 0 40 FKAB Cc1nnc(SCc2ccc3ccccc3c2)n1-c1ccc(Cl)cc1 409121879 YWLYYVXRCWXJSF-UHFFFAOYSA-N 365.889 5.675 0 40 FKAB Cc1oc2cc(OC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccccc1 1448168 XRQLZWGVEKJRMC-UHFFFAOYSA-N 374.367 5.127 0 40 FKAB biogenic C[C@H]1CCC[C@H](C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)C1=O 1709023 BDKKAZPMAWNHHE-MAUKXSAKSA-N 356.469 5.786 0 40 FKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(N(C)C)cc3)c2c1 1892388 XHALNJCBOUKZNE-WNAAXNPUSA-N 368.480 5.961 0 40 FKAB Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(C)cc4C)nc3C2)cc1 2419363 NXFRXFOETMRVNU-SFHVURJKSA-N 357.457 5.058 0 40 FKAB CC(C)c1ccccc1NC(=O)CSc1cccc2cccc(Cl)c12 3235403 WXHNQJPDFUPHKY-UHFFFAOYSA-N 369.917 6.347 0 40 FKAB CCOc1ccc(-c2csc(NCc3ccccc3)n2)c2ccccc12 3304621 HGDREZHTUMHDTA-UHFFFAOYSA-N 360.482 5.974 0 40 FKAB CSCCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 3444260 WMTCFYHBDPIBGY-UHFFFAOYSA-N 360.548 5.549 0 40 FKAB Cc1ccc2nc(-c3c[nH]c4ccccc34)c(Nc3ccccc3C)n2c1 3909793 COTHDXXUXZOABE-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB CCCCCCc1cc(OC)cc(O)c1-c1n[nH]cc1-c1ccccc1 4728604 OYMOCLMEMAHEQF-UHFFFAOYSA-N 350.462 5.581 0 40 FKAB CCCCOC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 4789019 ZRHNKQVUWYZXHS-UHFFFAOYSA-N 373.452 5.563 0 40 FKAB c1ccc(C2=Nc3ccccc3S[C@H](c3cccc4ccccc34)C2)cc1 4832356 RPTMKIOZURXTPS-VWLOTQADSA-N 365.501 7.198 0 40 FKAB C[C@@H](Sc1c(Cl)cccc1Cl)c1nnc(-c2ccccc2)o1 5320858 XGIYKWKRABLVLX-SNVBAGLBSA-N 351.258 5.897 0 40 FKAB c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccn2)cc1 5589918 UAKHLXPKZIGBSU-UHFFFAOYSA-N 358.444 6.631 0 40 FKAB CCCCCc1nc2ccccc2n1Cc1c(C)cc(C(C)(C)C)cc1C 5978243 VCZPBHTXXRAMPR-UHFFFAOYSA-N 362.561 6.732 0 40 FKAB S=c1[nH]c2ccccc2n1-c1cc(-c2cccs2)nn1-c1ccccc1 6649756 JAEZSQXJLNAFHM-UHFFFAOYSA-N 374.494 5.602 0 40 FKAB O=C(c1cn(CCOc2cccc3ccccc23)c2ccccc12)C1CC1 7099402 NKWDPTIZRNGIDX-UHFFFAOYSA-N 355.437 5.466 0 40 FKAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccccc1 8854370 JGDGOBOWQFOWBC-UHFFFAOYSA-N 374.918 5.270 0 40 FKAB C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 12758076 JXVZFNAHXDXASV-KXBFYZLASA-N 353.512 5.459 0 40 FKAB CSc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 12774486 AKVLPFDGGKWNDA-HXUWFJFHSA-N 365.523 5.881 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12878891 MOBRQVRYXBKHSD-UHFFFAOYSA-N 350.466 5.005 0 40 FKAB Cc1cc(-c2csc(NC(=O)C3CCC3)n2)c(C)n1Cc1ccccc1 13149901 FCIAIQGPPGXSOY-UHFFFAOYSA-N 365.502 5.015 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 14401113 XPHKCZDWKGSIPL-CYBMUJFWSA-N 365.395 5.409 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 15424834 TVZFMSNUYWEPOD-UHFFFAOYSA-N 368.477 5.087 0 40 FKAB CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccc(Cl)cc1)N(C)C 19851561 XWHIBLPWZFUSPE-SZGZABIGSA-N 366.225 5.074 0 40 FKAB COc1ccc([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 20043125 JVTIIZXELNHDKM-SFHVURJKSA-N 359.469 5.095 0 40 FKAB Cc1ccccc1CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 20195554 VGCNYEVIWINPSG-UHFFFAOYSA-N 350.274 5.379 0 40 FKAB COc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)c(OC)c1 26466153 BVOZLOANEVAVJN-HSZRJFAPSA-N 373.456 5.090 0 40 FKAB O=C(Nc1[nH]c(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 28405408 UPLXHKUBGIJGDL-UHFFFAOYSA-N 373.843 5.649 0 40 FKAB O=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 35662251 OWNBQDWSGJBQOZ-UHFFFAOYSA-N 350.028 5.692 0 40 FKAB Cc1ccc(-c2csc3ncnc(N(C)Cc4ccccn4)c23)cc1C 40158227 UNGQCOXLTHLXDZ-UHFFFAOYSA-N 360.486 5.007 0 40 FKAB c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3cccc4ccccc34)C[C@@H]21 40486311 IARXYQAJFFFUPN-QHCPKHFHSA-N 368.480 6.044 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 59351244 QVIRYJRYICUUSU-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB Cc1cccc(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cccnc2)c1 69033333 RWZXDXFQNUPTLU-FQEVSTJZSA-N 365.864 5.297 0 40 FKAB CC(C)(C)[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 69485560 WDJNJYPEAFUZHW-GOSISDBHSA-N 365.926 5.440 0 40 FKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1nc2ccccc2o1 71810928 ZVADCDDSEWDQDD-INIZCTEOSA-N 371.440 5.278 0 40 FKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 71844318 PJRFFRWOPQMPKG-NFBKMPQASA-N 373.500 5.045 0 40 FKAB CC(C)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C(C)C 72212985 AQESWKWTXXYMCW-GOSISDBHSA-N 361.530 5.167 0 40 FKAB C[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)c2cc(C(F)(F)F)ccc2S1 72270548 PVHBZTJRCCPDJR-QWHCGFSZSA-N 355.425 5.279 0 40 FKAB Clc1ccc(-c2cs/c(=N/C3CCCCC3)n2C2CCCCC2)cc1 100930066 PMUNVTSYWDDITA-XTQSDGFTSA-N 374.981 6.609 0 40 FKAB Clc1ccc([C@@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101166892 QRAXSQDCVMQGOW-PZJWPPBQSA-N 359.860 5.836 0 40 FKAB CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)c(C)c1 224853898 WINKOTHMSGGWNC-FQEVSTJZSA-N 363.457 5.047 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1)N2 247438771 WRQLDKYQGFAFGI-MELFWRNSSA-N 353.849 5.335 0 40 FKAB CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 299888215 ACBVQWIVNQRHRU-OPMHRUBESA-N 352.484 7.374 0 40 FKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 409083304 ADDZYLKFZIWTSY-UHFFFAOYSA-N 364.301 5.743 0 40 FKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccs1 1039617 AHLPEWBLLUQGPA-UHFFFAOYSA-N 354.378 5.143 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccc(C)c2)cc1 1437745 RPQJOCLWZCANMH-HSZRJFAPSA-N 355.481 5.557 0 40 FKAB Cc1cc(C)c(C(=O)c2ccccc2Cc2cccc3ccccc23)c(C)c1 1656986 VOBUGAGLHFXALX-UHFFFAOYSA-N 364.488 6.587 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2081825 DBRVIHUBTXCZDR-UHFFFAOYSA-N 366.464 6.025 0 40 FKAB O[C@H](CSCc1cccc(C(F)(F)F)c1)CSc1cccs1 2159534 WYZVNMJMUVOHAK-CYBMUJFWSA-N 364.479 5.153 0 40 FKAB CCCc1cc(=O)oc2c(C)c(OC/C=C(\C)CCC=C(C)C)ccc12 2438160 GSGMBSWSFGZVTA-GHRIWEEISA-N 354.490 6.125 0 40 FKAB CCc1cc(Br)ccc1NC(=O)C1(c2ccccc2)CCCC1 2512698 OCICYJJXQLRRKM-UHFFFAOYSA-N 372.306 5.462 0 40 FKAB Brc1cnc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3121716 KVFLUGZHYSPIBS-UHFFFAOYSA-N 362.230 5.121 0 40 FKAB O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1ccccc1 3142506 IIBKSSZSAZHZFY-UHFFFAOYSA-N 361.466 5.110 0 40 FKAB O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)C1CCCCC1 4328221 ZBHSZTIYEWJBTN-UHFFFAOYSA-N 367.927 5.003 0 40 FKAB C(=C1\CCC[C@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1)\c1ccco1 4887054 YKWQHZUENZGCQI-ZQBXZXHJSA-N 354.453 6.081 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 5274717 LJLZIDAFRNZQGN-SJCJKPOMSA-N 374.937 5.407 0 40 FKAB c1ccc(CCNc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 5323203 XBJPTTVNVNELIN-UHFFFAOYSA-N 365.436 5.698 0 40 FKAB C[C@@H]1C(=O)C[C@@H](c2ccccc2)[P@](=O)(c2ccccc2)[C@H]1c1ccccc1 5377107 AUZDPWZTRBQLEU-JSZNEXRFSA-N 374.420 5.767 0 40 FKAB O=C(CSCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 5736474 CHDVXZLYOKLGMX-UHFFFAOYSA-N 363.482 5.138 0 40 FKAB C/C(C=NNC(=O)[C@@H](C)Nc1ccc(C)cc1)=C/c1ccc(C(C)C)cc1 5740407 MCAISERHHGOOTF-HWLSFALKSA-N 363.505 5.124 0 40 FKAB COc1cc(C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1 6406208 IOJKKCMQOOCNRG-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1cc2ccccc2o1 8238270 IGRZZHFNNORDKP-KRWDZBQOSA-N 371.436 5.356 0 40 FKAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccccc4C)ccc3C(=O)O2)cc1 11666559 WAQMNSYYHGMEAN-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB CCc1ccc([C@H](NCc2coc(-c3ccc(OC)cc3)n2)C(C)C)cc1 12758294 YFYFSZKCAHEFIR-JOCHJYFZSA-N 364.489 5.400 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 13689130 WXJXHUANAZURJC-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc(C)c1Cl 14398933 VGGWMLWVYFWKSI-LLVKDONJSA-N 372.679 5.670 0 40 FKAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(C(F)(F)F)cc1 17337638 RFAJXOMZBRZJLZ-UHFFFAOYSA-N 368.405 5.072 0 40 FKAB CCC[C@@H](O)c1nc2ccccc2n1CCCCOc1cccc(C)c1 20897565 WWEBGDLNRBDQKT-OAQYLSRUSA-N 352.478 5.037 0 40 FKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)[C@@H]1CC=CCC1 23637472 XPJDRGZAPVCXPK-OAHLLOKOSA-N 374.278 5.024 0 40 FKAB CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccoc3C)o2)c1C 26129305 HJFUDELELHPUBP-UHFFFAOYSA-N 356.447 5.058 0 40 FKAB CCSc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 30847224 GTAZTNAPTUITKN-LVZFUZTISA-N 359.494 5.978 0 40 FKAB CCOc1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339978 WIVNKVHDIYTFGP-CMDGGOBGSA-N 371.820 5.145 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(COC2CCCCC2)c1 84027088 GMOLDHKPCLTQPS-UHFFFAOYSA-N 362.473 5.578 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CCCc2ccccc21 113950563 CVTOBJOLLVPBBK-GOTSBHOMSA-N 359.469 5.191 0 40 FKAB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223013569 SNAWRQJNHHINHK-IBGZPJMESA-N 372.306 5.209 0 40 FKAB Cc1ccc([C@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)c(C)c1 223408856 QMACSEUDNIWMIW-AREMUKBSSA-N 371.524 5.759 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2ccc3ccccc3c2)cc1 223580824 RTYNQNZQPPPBOL-XNTDXEJSSA-N 373.496 5.346 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCCC2)cc1 224094532 PXTWRFBWWZBPDM-UHFFFAOYSA-N 370.452 5.434 0 40 FKAB Cc1ccc(NC(=S)NCCCSC2CCCCC2)cc1Cl 225590286 SJIKNKCBDKPCTL-UHFFFAOYSA-N 356.988 5.391 0 40 FKAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(C)cc1 408563053 TWRJZOPTNOJNQN-FCQUAONHSA-N 364.514 5.157 0 40 FKAB Cc1ccc(-c2[nH]c(=Nc3cc(Cl)ccc3Cl)sc2C)cc1C 409050274 TYAAZBVWAMRFMS-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB COc1ccc(-n2c(C)nnc2SCc2ccc3ccccc3c2)cc1 409096317 JNZUSFLIBHZLRJ-UHFFFAOYSA-N 361.470 5.030 0 40 FKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 851907 ARZYSFYBHJJZBW-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB O=C(c1ccccc1)N1c2ccccc2C=C[C@@H]1c1c[nH]c2ccccc12 1023839 MRWHHLJKEJMCLJ-HSZRJFAPSA-N 350.421 5.583 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(Cl)c1 1097956 KFRFLZASHLKMPE-UHFFFAOYSA-N 353.824 5.640 0 40 FKAB Cc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccc(Cl)cc3)c2n1 1576925 DPFSMHHAKOJERA-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCOc1ccc(F)cc1 1835540 IBOYZSVLHCWLHP-NRFANRHFSA-N 352.453 5.052 0 40 FKAB O=C(Nc1cccc(Cl)c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 2358844 SVLXQFQKLDUAEC-UHFFFAOYSA-N 360.244 5.065 0 40 FKAB CCCCc1cc(=O)oc2cc(OCc3c(C)c(C)cc(C)c3C)ccc12 3220015 YLAFHRCKYGHFAB-UHFFFAOYSA-N 364.485 5.948 0 40 FKAB CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 3881675 PFOMZLRVGKNKCE-PXFMPXEPSA-N 370.533 5.555 0 40 FKAB biogenic Cc1ccn2c(Nc3c(C)cccc3C)c(-c3ccc(Cl)s3)nc2c1 3911549 YMFAWWGYDDLJNJ-UHFFFAOYSA-N 367.905 6.385 0 40 FKAB COc1ccc(Cl)cc1-c1nc(Cc2ccc(Cl)cc2Cl)no1 4680676 DOVYEKZZTSRNID-UHFFFAOYSA-N 369.635 5.296 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2ccccc2)cc1 5656587 SPWTUXKLIDJKEN-UHFFFAOYSA-N 360.457 5.251 0 40 FKAB C[C@@H]1CCc2c(sc3ncnc(Nc4ccccc4OC(F)F)c23)C1 5935525 SECVRQKXKQXJKK-SNVBAGLBSA-N 361.417 5.161 0 40 FKAB O=C(CSc1nc2ccccc2o1)N(c1ccccc1)c1ccccc1 6228835 MPBZJYPOQRMGGK-UHFFFAOYSA-N 360.438 5.285 0 40 FKAB COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1Br 6263179 SJLTYVORQQTSFA-IZZDOVSWSA-N 374.278 5.233 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C1(c2ccccc2)CC1 6580361 AFCUKHUTJUBDHY-UHFFFAOYSA-N 360.891 5.195 0 40 FKAB CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 6650186 BMCCKYGHZBOTFJ-UHFFFAOYSA-N 373.909 5.072 0 40 FKAB Cc1ccc(C)c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1 6949142 DFPQTEILZCWJAE-UHFFFAOYSA-N 355.290 5.044 0 40 FKAB COc1ccc(NC(=O)/C=C/c2sc3ccccc3c2Cl)c(OC)c1 7063857 GHDSLMCKDXGLBO-MDZDMXLPSA-N 373.861 5.224 0 40 FKAB C[C@@H]1CCC[C@H](N2CN(Cc3ccccc3)c3nc4ccccc4n3C2)[C@@H]1C 7499257 FVTHMBPMOXVALS-KNKQGSTJSA-N 374.532 5.098 0 40 FKAB Cc1nc(N(C)C2CCCCC2)c2c(-c3ccccc3)c(C)sc2n1 7776978 SVNONDQKWBFKKV-UHFFFAOYSA-N 351.519 5.744 0 40 FKAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1Oc1ccccc1 7982615 RFXOSSYPJZNGSF-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB CCOc1cc(CNC)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254019 PXEHUGLDHQMIRN-UHFFFAOYSA-N 374.695 5.344 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 8612378 HTDILWREKQOQNV-UHFFFAOYSA-N 350.418 5.081 0 40 FKAB CCc1sc(-c2nnc(CN[C@H](C)c3ccc(Cl)cc3)o2)cc1C 8734817 QURFDMKPAFAQMU-GFCCVEGCSA-N 361.898 5.173 0 40 FKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)c1 9660028 KJUWLAYMVWDBDB-UHFFFAOYSA-N 370.408 5.412 0 40 FKAB biogenic Cc1sc(NC(=O)[C@@H]2CC=CCC2)nc1-c1ccc(OC(F)F)cc1 10954910 DTVIRPHUJGKCIX-CYBMUJFWSA-N 364.417 5.015 0 40 FKAB C[C@H](CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 12923770 HLDVAAINGVHHOL-MRXNPFEDSA-N 364.514 5.196 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)c1 13074185 UCGNIKHKCNODIZ-UHFFFAOYSA-N 356.897 5.590 0 40 FKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3C[C@@H](c4ccccc4)NN23)cc1 19171709 NNUWRAGPZLVXPM-ZDXQCDESSA-N 372.468 5.169 0 40 FKAB Cc1ccc(C)c(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 22237686 WAKJNQYZQUNMOY-UHFFFAOYSA-N 351.475 5.089 0 40 FKAB Cc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1C 27027967 GKIZKHNRWWHPQN-UHFFFAOYSA-N 370.500 5.368 0 40 FKAB CC/N=C1\S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1CC 27789878 UPZUIINDYWLHCH-DJOYVXLESA-N 360.482 5.305 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)c1cccc2ccccc12 69921713 CKWBNNCOKDCZAR-UHFFFAOYSA-N 358.466 5.548 0 40 FKAB COc1ccc2cc(C(=O)c3ccc(Br)cc3C)ccc2c1 95917105 MHPQINZLJWYSRY-UHFFFAOYSA-N 355.231 5.150 0 40 FKAB C[C@@]12C(=O)[C@](C)(O[C@H]1c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104076431 KOFXUASYYBAGTQ-AYRHNUGRSA-N 366.460 5.717 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1cccc2ccccc12 222677831 ALIHXPIMRDQMOI-JOCHJYFZSA-N 373.496 5.499 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC)c1ccc(C)cc1C 222972467 GEQNMKVBCMPGJB-SFTDATJTSA-N 353.506 5.345 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2cc3ccccc3o2)cc1C(C)C 223355934 LHXILUGNNXOQLI-HNNXBMFYSA-N 351.446 5.364 0 40 FKAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1C 225465031 DNQVSLQFGFKBIH-HSZRJFAPSA-N 359.469 5.140 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247420867 REQSLCDUVILJAA-NHQIJDEQSA-N 353.849 5.335 0 40 FKAB Cc1nc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Br 408623962 VUYHWUUACRVWCJ-UHFFFAOYSA-N 367.246 5.072 0 40 FKAB Cc1ccccc1C[C@]1(C)CCc2ccc(-c3cccc(C(=O)O)c3)cc2O1 585265518 GMRHLSRUKTXZNW-VWLOTQADSA-N 372.464 5.687 0 40 FKAB CC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 670898 ONZFQMGOKQMPJS-UHFFFAOYSA-N 370.905 5.489 0 40 FKAB Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)cc1 924382 CAKDPMRZWBQOIN-UHFFFAOYSA-N 350.487 5.199 0 40 FKAB CCC(C)(C)Nc1c(-c2cc3cccc(C)c3[nH]c2=O)nc2cc(C)ccn12 1330111 RRVPPQFBXSWODN-UHFFFAOYSA-N 374.488 5.060 0 40 FKAB Clc1cccc(Cl)c1C(Nc1nccs1)Nc1nccs1 1583573 JGWRKZKUHYVHOA-UHFFFAOYSA-N 357.291 5.129 0 40 FKAB ClC1=C(Cl)[C@]2(Cl)C=C(c3ccccc3)[C@@]1(Cl)C2(Cl)Cl 1670559 YTYROSMTUXHMPY-NEPJUHHUSA-N 374.909 5.916 0 40 FKAB C[C@@H]1CCCC[C@H]1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807503 PNUAAIFWELAVJV-RDTXWAMCSA-N 351.881 5.941 0 40 FKAB CCCCCCc1c(C)c2ccc(O[C@H]3CCCCC3=O)cc2oc1=O 2210628 GPCDHNDSJDQEHH-FQEVSTJZSA-N 356.462 5.115 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(F)c(F)cc1Cl 3153208 KJLMFZGBDRHEAN-UHFFFAOYSA-N 351.567 5.569 0 40 FKAB Cc1cc(C)n(CCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 3207194 WVEVEBPVJQVWBV-UHFFFAOYSA-N 359.498 5.533 0 40 FKAB CC(=O)Oc1ccccc1-c1c(C)nn(-c2ccccc2)c1-c1ccccc1 3238020 NEVJMELCNPBIDL-UHFFFAOYSA-N 368.436 5.440 0 40 FKAB O=C(NCCCn1ccc2ccccc21)Nc1ccc(Cl)c(Cl)c1 3359972 KZVYPJLHAYRSBC-UHFFFAOYSA-N 362.260 5.160 0 40 FKAB Cc1nc(Nc2cc(Cl)c(N)c(Cl)c2)c2c3c(sc2n1)CCC3 3418664 LTADXOJUAVLLPL-UHFFFAOYSA-N 365.289 5.121 0 40 FKAB Cc1cc2cc(CNC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2n1C 4061565 WJGZXESNRNJVPD-UHFFFAOYSA-N 368.480 5.013 0 40 FKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1 4838574 VYMBIPAZFSJSSQ-UHFFFAOYSA-N 364.788 5.106 0 40 FKAB Cc1sc(NC(=O)c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 5192655 QJKXLNBISJYTIO-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB Cc1ccccc1N(C(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 7486105 RKDGPNHLNHIZOV-FOCLMDBBSA-N 370.477 5.983 0 40 FKAB O=C(CCC1CCCCC1)Nc1nnc(CSc2ccccc2)s1 9698660 POWZDWVQKONXIY-UHFFFAOYSA-N 361.536 5.129 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C)c(C)c2)cc1 11914840 QSMZEZJWELXFFH-UHFFFAOYSA-N 365.498 5.286 0 40 FKAB COc1ccccc1Nc1ncnc2cc(-c3ccc(F)cc3)sc12 14084453 PAGSHBXQSSCFTE-UHFFFAOYSA-N 351.406 5.250 0 40 FKAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1Cl 15867385 ORCSBTOVJYMVOA-UHFFFAOYSA-N 373.811 5.319 0 40 FKAB CCCCN(CCCC)c1nc(F)c(Cl)c2c1Oc1ccccc1O2 20170670 SVRKZBCEKZJMAT-UHFFFAOYSA-N 364.848 6.179 0 40 FKAB CC(C)CC(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 20969729 WSNWOUXLZWWIAC-UHFFFAOYSA-N 370.452 6.146 0 40 FKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 22053467 TWERAAHIUREYTQ-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1NCc1ccccc1 22072545 UNLMHKSPIYXYQM-UHFFFAOYSA-N 372.255 5.253 0 40 FKAB CCc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258014 OGMWCOANZKPVRZ-UHFFFAOYSA-N 365.860 5.734 0 40 FKAB CCSc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 22529768 ZJRYAUIUUCYIRX-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 29645706 VOCMATSUBDNIJB-UHFFFAOYSA-N 371.820 5.081 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCCC1 30755158 KMSOMPGREJHDKU-HXUWFJFHSA-N 371.546 5.179 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 30862864 AMTDVWRKJARRJN-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 48277551 AHIUCJIMBTVOKP-MRXNPFEDSA-N 371.893 5.077 0 40 FKAB CC(=O)c1ccc(Oc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 58158986 FZCMCMMRFSSSRQ-UHFFFAOYSA-N 366.420 5.806 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 59244490 OMSFJXMNQOFWSI-FQEVSTJZSA-N 363.482 5.634 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80345005 UDQZCNMIBXOOCA-CABCVRRESA-N 374.189 5.754 0 40 FKAB Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc2n1 89583065 IXPSBMFSOYHPQY-FQEVSTJZSA-N 362.864 5.132 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cc2coc3ccc4ccccc4c23)C1 100262242 QJGUROOSGHVEBM-MHECFPHRSA-N 361.485 5.556 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccc1 118914814 GUFISKMWHBUYOH-CDAVIMALSA-N 352.562 6.307 0 40 FKAB biogenic CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223096096 ZXBIYXGXPKCYPU-BTYIYWSLSA-N 371.908 5.254 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 225761487 BFWPTQIEUZNRFD-AWEZNQCLSA-N 361.938 5.262 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc23)cc1N 226263198 FJXKUQHOVLHRDF-MRXNPFEDSA-N 359.473 5.053 0 40 FKAB Nc1nnc(/C=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)o1 226345052 AAOFCDWBLAEUAK-DUXPYHPUSA-N 356.596 5.042 0 40 FKAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226349175 FRRHBEWDWCQVQV-UHFFFAOYSA-N 365.191 5.227 0 40 FKAB CCCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 408600160 WBQMJHJBZPHTCX-UYRXBGFRSA-N 367.470 5.020 0 40 FKAB CCCOc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 408601643 LCTQYAMKTMXVCS-ATVHPVEESA-N 373.861 5.370 0 40 FKAB Fc1ccc(Cc2ccc([C@H]3CCCN(CCc4ccccc4)C3)nc2)cc1 585176606 CBAMNQNDQAZHOH-QHCPKHFHSA-N 374.503 5.234 0 40 FKAB CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(Cl)cc1 649608 LCWZABDFRYXTNC-UHFFFAOYSA-N 365.882 5.342 0 40 FKAB COc1cc2cc(-c3ccccc3)nc(Cc3ccccc3)c2cc1OC 856167 RNOONWHAFUQJMA-UHFFFAOYSA-N 355.437 5.510 0 40 FKAB biogenic CC(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2c1CCC2 2429714 PMGCGKGFSQJOMG-UHFFFAOYSA-N 364.474 5.057 0 40 FKAB COc1ccc([C@H](CCN[C@@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 2444411 NIQSHFRVLGQLJZ-RXVVDRJESA-N 373.968 6.609 0 40 FKAB CCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3153144 RDHIHKLTDUBUIN-ZDUSSCGKSA-N 372.123 5.145 0 40 FKAB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl 3183784 YYLOHINPWYIRDT-UHFFFAOYSA-N 366.288 5.617 0 40 FKAB CN(C)[C@@H](CNc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 3292757 MPJJZHSHJRKEOI-IBGZPJMESA-N 374.513 5.073 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4033919 NVCXSYPODXXXLL-UHFFFAOYSA-N 373.481 5.351 0 40 FKAB CCOc1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 4137722 SCQRIYQAPOXPDW-UHFFFAOYSA-N 357.460 5.057 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccc(O)c1 4678478 ZYDIYYLAVDXCHF-UHFFFAOYSA-N 355.441 5.072 0 40 FKAB O=C(CSc1ccc2ccccc2n1)Nc1ccccc1-c1ccccc1 5626799 CZTJJGYOBOJUND-UHFFFAOYSA-N 370.477 5.633 0 40 FKAB Cc1nc(NC2CCCCCCC2)c2c(-c3ccccc3)csc2n1 7654029 MJOZBWSCDRNRRZ-UHFFFAOYSA-N 351.519 6.192 0 40 FKAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 8249489 RXOULRRRGLOUSD-UHFFFAOYSA-N 372.424 5.079 0 40 FKAB COc1ccc(-c2c(C)c3ccc(Nc4ccc(C)cc4)cc3oc2=O)cc1 11865081 ATYHIIIPJMXABW-UHFFFAOYSA-N 371.436 5.829 0 40 FKAB biogenic O=C(CCCOc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 14396456 HZDUJCSDOGCTHM-UHFFFAOYSA-N 359.469 5.075 0 40 FKAB Clc1ccc(OCc2ccccc2)c(CNCc2ccccc2Cl)c1 16480576 FEGPXBNMRJKJMI-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB O=C(Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1)c1cccs1 16790346 YBSDJTHDTHFELO-UHFFFAOYSA-N 358.532 5.216 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19690784 DREGOTZIOPPSJA-HSZRJFAPSA-N 374.459 5.102 0 40 FKAB CCc1ccc(Nc2cc(C)nc3cc(-c4ccccc4OC)nn23)cc1 21150543 QFLGQBKDRQUJTQ-UHFFFAOYSA-N 358.445 5.019 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 22537981 QYLQLCIIYLPRQY-FQEVSTJZSA-N 357.497 5.621 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 30861299 FXCDZANAEPNVJT-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB Clc1ccc(Cc2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 33171496 WZNPVHTZGHNSFC-UHFFFAOYSA-N 373.890 5.090 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 44900430 XPWLXKIFUXERMG-AWEZNQCLSA-N 357.759 5.155 0 40 FKAB CCc1nc2cc(NC(=O)c3cc(C(C)C)nc4ccccc34)ccc2o1 58564666 AEYQDTAYOGLBQD-UHFFFAOYSA-N 359.429 5.314 0 40 FKAB Cc1cc(C)n(-c2ccc([C@H](C)N[C@H](C)c3c(F)cccc3F)cc2)n1 95462666 KIVWDYWOZVVRFT-JKSUJKDBSA-N 355.432 5.179 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1 98175173 NLSRCRURLWCNQL-UHFFFAOYSA-N 364.448 6.665 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 106971697 YMUIWORGMQJFGS-UHFFFAOYSA-N 355.384 5.165 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 118927570 OZFUSVFBHIPUTK-HXNVYPELSA-N 370.577 6.177 0 40 FKAB Cc1ccc2c(c1)cc(C(=O)Nc1cc(Cl)c3oc(C)cc3c1)n2C 141572861 SJTMJZOFFGYHJZ-UHFFFAOYSA-N 352.821 5.447 0 40 FKAB CC(C)C(NC(=O)c1cccc(OCc2ccccc2Cl)c1)C(C)C 219837902 DHXPKOWZEHNVQD-UHFFFAOYSA-N 359.897 5.329 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224340775 DZDNBQBLZJBSQO-AWEZNQCLSA-N 363.482 5.066 0 40 FKAB COC(=O)c1ccc2c(c1)[C@@H]1O[C@H](C)CC[C@H]1[C@](C)(CCCC(C)C)O2 257333503 YBVAZBBTJJYGGF-WOIRZILMSA-N 360.494 5.307 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 408629003 HIUXUOPJQBKMRK-GOSISDBHSA-N 374.484 5.236 0 40 FKAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)cc1 408824401 HMKDGYHVEUCQLI-UHFFFAOYSA-N 357.866 5.063 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 409110585 FFVZLIZLWRSEEQ-UHFFFAOYSA-N 361.485 5.757 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 682980 UVXSKPHHRHKZBU-UHFFFAOYSA-N 357.453 5.467 0 40 FKAB C[C@H]1C[C@H](N(C(=O)c2cccc(F)c2)c2ccccc2)c2ccccc2N1 752665 BAQGXIWPKJJZLA-AOMKIAJQSA-N 360.432 5.418 0 40 FKAB CC1CCN(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)CC1 939381 HPXJIKVBEKNVKV-UHFFFAOYSA-N 368.546 5.111 0 40 FKAB Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)oc2cc1C 1413993 RMVGYAMESUVTBJ-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB O=C(Cn1c2ccccc2c2ccccc21)Sc1nc2ccccc2s1 2285465 PWSBTNMDJZKETN-UHFFFAOYSA-N 374.490 5.723 0 40 FKAB Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1 2569359 AHZUOPSGLWYCNF-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro O=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl 3029464 WDLMROXJUHCYDJ-UHFFFAOYSA-N 368.672 6.001 0 40 FKAB aggregator C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2NC1=O 3452883 FAWFWVSLFMNUHW-CQSZACIVSA-N 374.465 5.039 0 40 FKAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 6343280 FBKXMUJLHIWBRY-CQSZACIVSA-N 370.279 6.151 0 40 FKAB in-vitro Cc1csc(/C(=C\c2ccc(C)s2)c2nc3ccccc3n2C)n1 7136387 ZYKMDLUHSLFJJH-GDNBJRDFSA-N 351.500 5.297 0 40 FKAB CCOc1cc(CNC2CCCCCCC2)ccc1OCc1ccccc1 7523194 CTFBTRDOIMFKLK-UHFFFAOYSA-N 367.533 5.867 0 40 FKAB Cc1cccc(-c2cc(Nc3ccccc3Br)nc(C)n2)c1 11907651 WWAKOVCKWKJTFM-UHFFFAOYSA-N 354.251 5.267 0 40 FKAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C1CCCCC1 12799645 BAXRUIMLCKSTPG-GOSISDBHSA-N 352.503 5.058 0 40 FKAB CN(Cc1ccc2ccccc2c1)C(=O)CCC(=O)c1ccc(Cl)s1 12819878 UYGWJTGVJNVFJB-UHFFFAOYSA-N 371.889 5.176 0 40 FKAB Cc1occc1-c1nnc(SC(c2ccccc2)c2ccccc2)n1C 12854008 QATKMOMOYILUFN-UHFFFAOYSA-N 361.470 5.265 0 40 FKAB O=C(CCc1ccsc1)N1CCCC[C@@H]1c1nc2ccccc2s1 12891907 BKMAKODPFXCGLV-MRXNPFEDSA-N 356.516 5.044 0 40 FKAB Cc1ccc(CSc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 13010379 QMOZXCNJHGUUHN-UHFFFAOYSA-N 368.527 5.233 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc2c(Cl)cccc12 14258522 INLXYYKHYZYDBE-UHFFFAOYSA-N 357.840 5.997 0 40 FKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@H](C(=O)O)c3ccccc3)c2c1 19911641 CMZFMOKRNSWWPW-BJHAJFLLSA-N 369.420 5.135 0 40 FKAB CCn1c(=O)c2ccccc2n2c(=S)sc(-c3cccc(Cl)c3)c12 20378702 SIODFQTXFUWJNV-UHFFFAOYSA-N 372.902 5.385 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 25765401 QDAQEJCXDWFUPY-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB COc1cc(-c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc(Cl)c1O 31773454 UJCRCPWXFUJONQ-UHFFFAOYSA-N 371.603 5.134 0 40 FKAB Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3cccc4ccccc34)o2)c1 32759510 DWIAPBSJBLMDOX-IRXDYDNUSA-N 357.457 5.610 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccccc3N(C)c3ccccc3)cc2o1 58369945 YUXSHGJZGRVGKV-UHFFFAOYSA-N 357.413 5.156 0 40 FKAB CCOc1ccc(Oc2cc(CNc3nc4ccccc4o3)ccn2)cc1 71811745 VMSYVGNZRREZGK-UHFFFAOYSA-N 361.401 5.026 0 40 FKAB c1ccc(CN2CCCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217268 DQLBXWQOQVZXFL-QFIPXVFZSA-N 366.574 6.234 0 40 FKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(F)c1 89821384 MIHURGCTHDDWQI-WOOPDLCSSA-N 370.427 5.217 0 40 FKAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1(c2cccc(Cl)c2)CC1 95981379 QKNOQCIKTSPFRG-UHFFFAOYSA-N 356.636 5.023 0 40 FKAB COc1ccccc1[C@@H]1Sc2ccccc2N=C2C[C@H](C)CC(O)=C21 102674813 BUPLWERNDNVRSI-ZSEKCTLFSA-N 351.471 5.857 0 40 FKAB CSc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 222627233 FBGAXBLUNLUVMN-UHFFFAOYSA-N 370.477 5.876 0 40 FKAB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223256817 SYORVVNYIMVVJF-ZDUSSCGKSA-N 362.300 5.292 0 40 FKAB CCOc1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225499954 DBCWCFLTQHABBC-HXUWFJFHSA-N 372.534 5.168 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2cccc(F)c2)c2ccccc2)c1 225699164 LYYFRYXOZULZCN-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N 226265982 IUYRMMFVGHYLSM-MRXNPFEDSA-N 365.521 5.197 0 40 FKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 409113265 HJJBMAVWVJXCKP-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cc(OCc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)ccc1Cl 1002840 WZKLZSDTKXVEBZ-HNNXBMFYSA-N 369.848 5.311 0 40 FKAB CCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccccc2C)s1 1345295 KZQIAVHCQSVAIR-UHFFFAOYSA-N 371.893 5.224 0 40 FKAB CCCCOc1ccccc1NC(=O)CCCOc1ccc(C)cc1C 1913927 GRKDMDBIPJFMSG-UHFFFAOYSA-N 355.478 5.280 0 40 FKAB CCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3033235 WOGVENODNQXLHH-UHFFFAOYSA-N 367.452 5.104 0 40 FKAB C[C@@]1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CCC(=O)O1 4127598 KYUZKRJIOGSDGT-JLISXPQNSA-N 372.549 5.022 0 40 FKAB O=C(c1c2oc(-c3ccc(F)cc3)ccc-2c2ccccc12)C(F)(F)F 4452668 VZBQJLPMTVRHEL-UHFFFAOYSA-N 358.290 6.089 0 40 FKAB C[C@H]1CC[C@@H](OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C 4654027 GRQROJVOZIQILL-SGMGOOAPSA-N 372.292 5.080 0 40 FKAB Cc1cccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)c1 4678455 SROMIOJBODTLPK-UHFFFAOYSA-N 353.469 5.675 0 40 FKAB Cc1c(C(C)C)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 5235599 RBBNTBWDNTYVSK-UHFFFAOYSA-N 350.389 6.086 0 40 FKAB O=C(Cc1ccccc1)Nc1sc2ccccc2c(=O)c1-c1ccccc1 5349030 HGUHKJMZHNTHOO-UHFFFAOYSA-N 371.461 5.110 0 40 FKAB COc1ccccc1/C=C/c1nc2ccccc2n1CCc1ccccc1 5462084 CRFLWKQWIDYRFK-FOCLMDBBSA-N 354.453 5.458 0 40 FKAB CCN(CC)c1ccc(N[C@H](C[C@@H](O)c2ccccc2)c2ccccc2)cc1 5479665 ARVBGCIWRJWUQE-JWQCQUIFSA-N 374.528 5.810 0 40 FKAB Cc1ccc(NC(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 7847320 LYEFONLYQLMQHF-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB Clc1ccccc1CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 8410044 UKVGBQWXAVFOBS-UHFFFAOYSA-N 360.910 5.483 0 40 FKAB CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 13645419 CGTKKWKLZCOQGE-ISKFKSNPSA-N 354.453 5.491 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14268926 PYCQJDVAWPJFKM-SNQWNFELSA-N 354.881 5.371 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 14792907 YKUUNZKEKXHNLS-SFHVURJKSA-N 372.468 5.047 0 40 FKAB CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)o1 15881477 MBBKHTWNUXGAEB-UHFFFAOYSA-N 351.837 5.346 0 40 FKAB O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1Oc1ccccc1 19934956 VFYUWXIKTXJAEY-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(F)ccc1F 28210789 LCBQTEANERLGOM-UHFFFAOYSA-N 359.759 5.663 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 44935042 OLTPYIFRPBVWPJ-FQEVSTJZSA-N 364.533 5.026 0 40 FKAB O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1cccc(Cl)c1 47325273 HWXUMTCMVHPGQT-IBGZPJMESA-N 351.837 5.257 0 40 FKAB CCCCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 70462044 FJWPBZGQLPBIEY-UHFFFAOYSA-N 352.434 5.453 0 40 FKAB CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213559 VVKJABXTCUZHES-YLJYHZDGSA-N 367.493 5.156 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 78458633 LVTHAMOQEJCXPZ-YWZLYKJASA-N 359.897 5.246 0 40 FKAB C[C@H](NCC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100745530 RWXOIELWFZDPDK-ZTCOLXNVSA-N 365.561 5.791 0 40 FKAB biogenic O=C(N=[S@](=O)(Oc1ccccc1)c1ccc(Cl)cc1)c1ccccc1 102130420 CRVPGLUMFOYYMX-RUZDIDTESA-N 371.845 5.001 0 40 FKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@@H]1c1ccco1 102675073 CCPHXYNGLKRTDR-ASSNKEHSSA-N 350.418 5.092 0 40 FKAB CCOP(=O)(CCCCCCCCCCCOC(C)=O)OCC 218876720 CMQVKCUJSRHQKE-UHFFFAOYSA-N 350.436 5.327 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223086277 LZAAVXPDZVKMAT-GCJKJVERSA-N 365.517 5.217 0 40 FKAB CCC1(CC)C[C@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2O1 225457271 CGBYDSPRQNNDSX-KRWDZBQOSA-N 358.482 5.195 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522411 LUWXWCYWCWRNDR-INIZCTEOSA-N 371.908 5.968 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C 225559642 LXJCBHBNVDVSSA-UHFFFAOYSA-N 367.489 5.243 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(OC)c1 225932391 BQZYECMQUINMDC-UHFFFAOYSA-N 373.880 5.198 0 40 FKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1C 408562738 RVZSALWFJZRALY-XDOYNYLZSA-N 370.905 5.248 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc(C)c1Cl 408706087 VBATZYJBHYGLSR-LLVKDONJSA-N 372.679 5.670 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc(Cl)c3)cc2)c1 409110051 QIKMNXLDZBGPPM-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 409110201 UETOYFBMKMGBPF-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c(C)c1 691558 ZEGHEPXNNRXJAZ-UHFFFAOYSA-N 365.502 5.017 0 40 FKAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1Cl 753288 BJVGEBZUGALUMG-UHFFFAOYSA-N 371.072 5.101 0 40 FKAB CCc1cccc(C)c1NC(=O)c1sc2cccc(Cl)c2c1Cl 863020 IJKQYOFHJBWOLO-UHFFFAOYSA-N 364.297 6.331 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc1 2253228 FHGDHFMRDYXEAD-UHFFFAOYSA-N 364.452 5.198 0 40 FKAB Cc1ccc(Nc2ccc(Nc3ccc(C)c(Cl)c3)nn2)cc1Cl 3624388 DJSWJPVOCHYPTK-UHFFFAOYSA-N 359.260 5.887 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cc2ccccc2)cc1 4075748 MLDSOPVMQSFGNO-UHFFFAOYSA-N 356.252 5.837 0 40 FKAB CCCCOc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1 4124410 KUUGOEPGNAIABZ-UHFFFAOYSA-N 369.468 5.780 0 40 FKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1cccc(Cl)c1 4294100 ACQJPUXMAWSJPU-UHFFFAOYSA-N 362.841 5.849 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 4477952 YRMXCILLNZAXNX-RSCYBXQCSA-N 371.524 5.318 0 40 FKAB c1ccc([C@@H]2O[C@H](c3ccco3)N(c3ccccc3)[C@H]2c2ccccc2)cc1 4661582 OINGAVBNLZRPHH-CCDWMCETSA-N 367.448 6.298 0 40 FKAB Clc1ccc2nc(-c3nc4ccccc4[nH]3)cc(-c3ccccc3)c2c1 4663871 GURCTNALKRIBIO-UHFFFAOYSA-N 355.828 6.099 0 40 FKAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Cl)c(Cl)c1 4678402 PJNMVKZLVUZJQW-UHFFFAOYSA-N 350.224 5.145 0 40 FKAB Cc1cc(C)cc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c1 4691318 HQTLVJZSNYOPRR-UHFFFAOYSA-N 363.244 5.163 0 40 FKAB C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1F 5293075 NFFWJMPYXTUNNB-OAHLLOKOSA-N 351.377 5.024 0 40 FKAB CCOc1ccc(-n2c(SCc3ccc(C)cc3)nc3ccccc32)cc1 6393723 BHJHMPBUVOINOL-UHFFFAOYSA-N 374.509 6.025 0 40 FKAB COc1ccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 8060465 DZYABJQFTQSDOL-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc(F)cc1 8418618 DYKWVQDYKVATDO-UHFFFAOYSA-N 358.844 5.141 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 9063965 ILUHQBXRDVXZJX-UHFFFAOYSA-N 355.441 5.353 0 40 FKAB C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)c1nnc(-c2ccccc2)o1 9339093 JPHSIWLLCSRNDN-OAHLLOKOSA-N 353.425 5.481 0 40 FKAB CC(C)[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 12870538 LYCLPIROTNNXRW-SFHVURJKSA-N 374.506 5.067 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C(C)C)cc2)s1 15840154 XSCPDKFBOWDBLJ-UHFFFAOYSA-N 356.516 5.485 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc2ccccc12 18943592 QSBODNSZXGRLST-UHFFFAOYSA-N 350.468 5.586 0 40 FKAB Clc1ccc(-c2ccc(CN[C@H]3CCOc4ccccc43)s2)cc1 24082003 OZJNGBHABYJSJB-SFHVURJKSA-N 355.890 5.682 0 40 FKAB Cc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1Cl 27586139 ZBLMJFAEMFACET-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB Cc1nc(-c2ccc(Br)cc2)nc(Oc2ccccc2)c1C 58158979 IEEYLAZYGODGIY-UHFFFAOYSA-N 355.235 5.315 0 40 FKAB Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1 58700860 ASDSEQHPVMBTEI-GFCCVEGCSA-N 353.409 5.441 0 40 FKAB CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214876 IASFAFJUOKIVNC-GOSISDBHSA-N 361.530 5.169 0 40 FKAB CCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)C(C)(C)C 75110137 ZHQVZRUDEHGARD-UHFFFAOYSA-N 369.465 5.059 0 40 FKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(Cl)cc2)S1 85411989 KNIPONITDAFRPK-MRXNPFEDSA-N 361.898 5.221 0 40 FKAB CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100922894 HPZOHGFNBBOZSE-HSMRXVHUSA-N 371.571 5.386 0 40 FKAB CC(C)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222719573 FSVDDNLRRMCIEE-UHFFFAOYSA-N 368.329 5.989 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 223106261 IEYSJIQCVDZVIY-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1cc(C)cc(C)c1 224537056 JCWXQOSSQREVIP-UHFFFAOYSA-N 369.505 5.057 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2cc(C)c(C)cc2C)c2ccccc2O1 225636719 ZMBIVEALXCIFAS-FQEVSTJZSA-N 351.490 5.424 0 40 FKAB O=C(O)/C=C/c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244476 CQPLPBBADFVLHV-DUXPYHPUSA-N 362.006 5.114 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 409111322 HXDFVTAQBBNJTJ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409121076 VTIYJFCXRKLSBN-UHFFFAOYSA-N 367.876 6.533 0 40 FKAB CC(C)c1nccc(-c2ccc(F)cc2O)c1C[C@@H](C[C@H](C)O)C(C)C 669371053 SPPKDGPRXOXIPQ-JKSUJKDBSA-N 359.485 5.302 0 40 FKAB COc1ccc(Nc2nc3c(s2)CSc2ccc(Cl)cc2-3)cc1 1087324 HBEMBZDOMXDOSK-UHFFFAOYSA-N 360.891 5.821 0 40 FKAB c1ccc(CSc2nc(Oc3ccccc3)c3sccc3n2)cc1 1398464 LDWZEQWRQDJZDX-UHFFFAOYSA-N 350.468 5.776 0 40 FKAB O[C@H](c1ccc(Cl)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 1663986 KMNIXXUSNTVJHM-VQTJNVASSA-N 358.268 5.880 0 40 FKAB COc1ccc(CNCC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 2101847 DPBZJXPNBZVODK-DEOSSOPVSA-N 367.533 5.010 0 40 FKAB biogenic CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1 2263697 ROKLCYHRNFLNRI-OAHLLOKOSA-N 371.440 5.656 0 40 FKAB COc1cccc(-c2nc(Sc3ccc(C)cc3)c3ccccc3n2)c1O 2363848 GSNLYLKSUZHLBQ-UHFFFAOYSA-N 374.465 5.471 0 40 FKAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(Cl)c(Cl)c1 3180827 QBVVEYMYYMOWBK-ZZXKWVIFSA-N 361.022 5.001 0 40 FKAB CSc1c(SC)c(SC)c2sc(=S)sc2c1SC 3199679 MWOOPKHEJKEKKR-UHFFFAOYSA-N 368.686 6.580 0 40 FKAB O=C(OCc1c(Cl)cccc1Cl)C1(c2ccccc2F)CCCC1 3250564 IJDPTIZMIQIQMK-UHFFFAOYSA-N 367.247 5.688 0 40 FKAB FC(F)(F)c1ccc(Oc2ccc3cc(Br)ccc3c2)nc1 3319777 KVESKBCTYGVWLB-UHFFFAOYSA-N 368.152 5.808 0 40 FKAB aggregator O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2)cc1 3444405 XROHMSKJPIGRQZ-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CSc1nc(Sc2ccc(Cl)cc2Cl)c2ccccc2n1 4013792 POITZOSSSPMUCT-UHFFFAOYSA-N 353.299 5.810 0 40 FKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4081319 NTISSUBFZAIVDS-PRIHWHPVSA-N 370.577 5.686 0 40 FKAB biogenic COC(=O)CCCCCCCCC(=O)N(c1ccccc1)c1ccccc1 4523811 YIXRLLOMUNUKOR-UHFFFAOYSA-N 367.489 5.645 0 40 FKAB CC(C)CCOc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 4568546 NQWSYOVILALKMV-UHFFFAOYSA-N 373.452 6.263 0 40 FKAB CC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(C)cc3)=NN12 5563252 VEABFLOWIVMCLR-HKUYNNGSSA-N 371.278 5.037 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OC 6138768 PZYKRMNRVQUQSV-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccc3ncccc3c2)N1c1ccc(F)cc1 8707102 NUGLUJFQQMEGKW-JOCHJYFZSA-N 369.399 5.145 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1SC(F)F 12864204 WLEOALXFZOXZME-UHFFFAOYSA-N 362.426 5.377 0 40 FKAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)c1cccc(Cl)c1 12980051 IQSRKPOUGULPAK-SECBINFHSA-N 357.620 5.075 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)c(OC)c1OC 13283693 QTTSCHUBQCZTCF-UHFFFAOYSA-N 371.436 5.595 0 40 FKAB Cc1c([C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc2n1C 13942396 FFHVYJKWTMYQQI-QHCPKHFHSA-N 358.485 5.365 0 40 FKAB CCCc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 14291705 LNWHWERADOIGCX-UHFFFAOYSA-N 365.285 5.808 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc(C)c1Cl 14398249 IIXGDKBXBNMOMY-NSHDSACASA-N 372.679 5.670 0 40 FKAB O=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 14400901 QFUXEUSEQUHIJE-UHFFFAOYSA-N 357.759 5.157 0 40 FKAB Cc1cc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)no1 14625001 IRLDBKYZLNPOAV-UHFFFAOYSA-N 373.484 5.149 0 40 FKAB CSc1ccccc1NC(=O)c1cc(Br)ccc1Cl 15305994 POAOZYRSHIGTJN-UHFFFAOYSA-N 356.672 5.077 0 40 FKAB Cc1cc(C)cc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)c1 17053197 MYWGJZRAKWJLRO-UHFFFAOYSA-N 366.486 5.306 0 40 FKAB CC(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@@H]2[C@H]1c1cccs1 17111677 GAMINHVCFGHOCG-DPJPQZSBSA-N 356.516 5.199 0 40 FKAB CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 20494066 MFHLQVVYOIBZQU-NRFANRHFSA-N 361.510 5.860 0 40 FKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 21706717 NCGJVDMBWFZABW-KRWDZBQOSA-N 368.436 5.500 0 40 FKAB CCCc1cc(N[C@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 27585216 HCHPLYGNFBEYLA-QGZVFWFLSA-N 356.473 5.522 0 40 FKAB C[C@@H](NC(=O)CSCc1cccc2ccccc12)c1ccc(F)cc1 33047533 IMZDBLLQJMZIKF-OAHLLOKOSA-N 353.462 5.090 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 33737932 XMUFXMLOPKNSLM-UHFFFAOYSA-N 372.896 5.081 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)cc1 38772823 UPTGDMRQOKYSCF-JOCHJYFZSA-N 359.469 5.455 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(F)cc1 41466546 HZDGXVDIJSQIPM-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 57963278 HIKKSWMAMIRLHZ-UHFFFAOYSA-N 353.487 5.070 0 40 FKAB Cc1ccc(CN(C(=O)Nc2cccnc2)[C@H]2CCc3ccccc32)cc1 58051198 GUDPZHUDFCBGIX-QFIPXVFZSA-N 357.457 5.112 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 64983063 HVSKREZVFKJFFN-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC 106956972 QGRPJRIGCQACCW-UHFFFAOYSA-N 360.668 5.666 0 40 FKAB O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCO2 199737362 XYULGXWHABMVBF-UHFFFAOYSA-N 354.789 5.144 0 40 FKAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc2ccccc2s1 206668573 DDLCDFDKUDIILO-UHFFFAOYSA-N 367.455 5.143 0 40 FKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 216830032 IPDJVTAZUSRWLR-UHFFFAOYSA-N 369.244 5.148 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(C)cc1C 222558996 ULSLYVFKYYLRNE-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223492777 BWQBUUIJXKWONP-KNQAVFIVSA-N 353.506 5.264 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1C 225379786 PXXDYXXJXOLQCE-GOSISDBHSA-N 350.289 5.502 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 225766881 DLXIYRKHXSLKFL-QHCPKHFHSA-N 374.553 5.996 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225809892 BHMJOCLRLBVYRK-ZHRRBRCNSA-N 355.478 5.162 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(C)c(C)c1 225837501 XRBQUYZJCNYYCG-GCJKJVERSA-N 365.517 5.217 0 40 FKAB COc1ccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)nc2c1 408713210 OEROZNKYQRUAAH-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 408999439 CVGHIAPTFJXXSN-JOCHJYFZSA-N 374.459 5.894 0 40 FKAB CCOc1ccc(CNc2cccc(Cl)c2C)cc1Br 409109440 DXPFGMCHNAVLGY-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB Fc1ccc(Oc2ccc(Cl)cc2)c(OCCCN2CCCCC2)c1 585266229 RCDUMKGTPHKOOK-UHFFFAOYSA-N 363.860 5.526 0 40 FKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(Cl)c1 645419 ASHQJDVZARVFEH-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB Cc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 696582 BLZZPRWFIKTBGT-INIZCTEOSA-N 366.408 5.293 0 40 FKAB CCc1ccccc1-n1ncc(C(=O)Nc2cccc3ccccc23)c1C 1018236 VHQLJCLOXWJDSQ-UHFFFAOYSA-N 355.441 5.149 0 40 FKAB Cc1nc(-c2cccnc2)sc1[C@@H](C)OC(=O)Nc1cccc(Cl)c1 1394799 NDEXCRXOQDRQLN-GFCCVEGCSA-N 373.865 5.477 0 40 FKAB Clc1cccc(Cc2cn3cc(-c4ccccc4)nc3s2)c1Cl 1437497 GMQKXARUMWQCPE-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB CCCCC[C@@H]1Cc2c(C)nn(-c3nc(-c4ccccc4)cs3)c2O1 1900612 VDUJRTDANDQQRB-MRXNPFEDSA-N 353.491 5.188 0 40 FKAB CCc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 2737280 STHOGUWESSHMAW-UHFFFAOYSA-N 366.464 6.025 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1 3225392 YWUQWEUOTHMAQD-WYMLVPIESA-N 368.263 6.372 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(F)cc2F)cc1 3334199 VYRPWOGKKAORCB-UHFFFAOYSA-N 369.367 5.408 0 40 FKAB C[C@@H]1C[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)c2ccccc2N1 4046259 JYTDIBJBHJOQQD-TZRPEMEBSA-N 368.480 5.678 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(F)cc2)(c2ccc(F)cc2)CCO1 4094005 DBJXADIIVXDBFH-GOTSBHOMSA-N 373.487 5.362 0 40 FKAB CCCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 4393810 YZPAPUOWWQOPJB-UHFFFAOYSA-N 355.821 5.041 0 40 FKAB Cc1cc(Nc2ccc(F)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5576120 YKLDWFCHYKQWKN-UHFFFAOYSA-N 366.827 5.549 0 40 FKAB Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 6375886 ZZZUMVPVSZQSPV-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB CC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 6466051 QJKLQOFVPRYBSC-UHFFFAOYSA-N 371.550 5.429 0 40 FKAB O=C(Nc1ccccc1)c1ccc(CN2CC=C(c3ccccc3)CC2)cc1 7017034 SACHGKCQKLFKAE-UHFFFAOYSA-N 368.480 5.228 0 40 FKAB COc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1 7608186 CPNJAXZWEBJNAO-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 7668463 KVFOHJYPUIFUPY-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@H]1c1nc2ccccc2s1 7988498 PYGRRHMASQRUQW-FQEVSTJZSA-N 372.493 5.356 0 40 FKAB CC[C@H](C)NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 8326712 QQZAHTNDYDTGOQ-ZDUSSCGKSA-N 368.304 5.469 0 40 FKAB CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OCCOC 8579667 QTRKSBZYBWSRBJ-IMTHGLKYSA-N 356.547 5.184 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9064422 SVXWLVSPEWOUBG-KRWDZBQOSA-N 350.506 5.615 0 40 FKAB Cc1cc2nc(-c3cc(NC(=O)C(C)(C)C)cc(C)c3O)oc2cc1C 12856682 WRBWSGCKQFCWFO-UHFFFAOYSA-N 352.434 5.110 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14400327 ZOALMULOUKDXTE-INIZCTEOSA-N 359.897 5.705 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O[C@H](C)c1ccccc1 16249825 YYHRNRFWDJRYJT-GOSISDBHSA-N 367.448 6.128 0 40 FKAB Fc1ccc(COc2cccn3cc(-c4ccc(Cl)cc4)nc23)cc1 20030693 SWWWQEHBAVVZDL-UHFFFAOYSA-N 352.796 5.373 0 40 FKAB Cc1occc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 20103070 LUIOLUMSBLQSBO-UHFFFAOYSA-N 351.793 5.037 0 40 FKAB O=C(c1ccc(C2SCCS2)cc1)N1CCC[C@H]1Cc1ccccc1 25173301 YHNIEUAMFLKETL-IBGZPJMESA-N 369.555 5.013 0 40 FKAB c1ccc(-c2cc3c(c(-c4ccccn4)n2)CCCCCCCCCC3)cc1 26897340 XXKHDLHLWVOUCU-UHFFFAOYSA-N 370.540 7.030 0 40 FKAB Cc1ccc(-c2c[n+](C(c3ccccc3)c3ccccc3)c3n2CCC3)cc1 27753723 VAFVSNYPYZAFTP-UHFFFAOYSA-N 365.500 5.335 0 40 FKAB CSc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1 35616187 RODMVPJBMGSPOQ-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(OC(F)F)cc1 40103163 WVKXSHXVYCOAIZ-LLVKDONJSA-N 354.784 5.166 0 40 FKAB Clc1ccc(Oc2nc3ccccc3nc2N2CCCCCC2)cc1 45900786 DWWKNGNEKLOXAC-UHFFFAOYSA-N 353.853 5.456 0 40 FKAB O=C(Nc1ccccc1SC(F)F)N1CCC[C@H]1c1cccc(F)c1 56564708 WVJCSQOZHSIFSQ-HNNXBMFYSA-N 366.408 5.509 0 40 FKAB Clc1ccc(Cl)c(-c2nc3cccc(Cc4ccccc4)c3o2)c1 57352437 DVLVPWAJQQCILM-UHFFFAOYSA-N 354.236 6.392 0 40 FKAB O=C(Nc1c(F)cccc1F)c1cc(-c2ccccc2)nc2ccccc12 57358896 YSOUJMXNJCARLR-UHFFFAOYSA-N 360.363 5.432 0 40 FKAB CCCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)ccc3o2)c1 70462023 FPNQFLSPFKYXQN-UHFFFAOYSA-N 352.434 5.336 0 40 FKAB CC1=Nc2c(cnn2-c2ccccc2)[C@H](c2ccc(O)c(Cl)c2)S1 95476354 MVDYOPWQYJBIGQ-KRWDZBQOSA-N 355.850 5.117 0 40 FKAB Clc1ccc(COc2ccccc2CNc2ccccc2)c(Cl)c1 106970678 KNVPUDDZFHLAKG-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CCCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 106994706 UVLXROCPARMDHZ-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)c1ccccc1 118914812 GUFISKMWHBUYOH-IEHCJHDVSA-N 352.562 6.307 0 40 FKAB biogenic O=C(NCc1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 222788053 HFVHAELRIRJNKG-UHFFFAOYSA-N 367.448 5.349 0 40 FKAB CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C)cc1C 222802000 XICPSKIYHAGPMH-FQEVSTJZSA-N 353.506 5.247 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(C)C 223263347 LLRDHURHJTYPKZ-KRWDZBQOSA-N 367.533 5.916 0 40 FKAB CCCCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2C)c1 224606036 XIXRGGFLFVDPNH-UHFFFAOYSA-N 369.505 5.119 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c2ccccc12 225824040 FJFVDUZJYDINQX-UHFFFAOYSA-N 371.521 5.654 0 40 FKAB Clc1ccc(-c2ccc(C(N3CCCCC3)N3CCCCC3)o2)cc1 252482576 DJNSPNXJQNUBRK-UHFFFAOYSA-N 358.913 5.570 0 40 FKAB C[C@]12CC=CC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(CCc3ccccc3)=CC[C@H]12 253596699 VBTNPIPMZUSOJR-UZEYZKPGSA-N 360.585 7.364 0 40 FKAB O=C(Cc1c(F)cccc1Cl)N[C@H](c1ccsc1)c1cccs1 390826466 LZYMNEZFHITCDQ-QGZVFWFLSA-N 365.882 5.050 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2-c2cccc(C)c2)cc1 408724145 GIZHHHJUXDFAMV-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408834731 VBDZZVNOKSSMHH-UHFFFAOYSA-N 364.272 5.718 0 40 FKAB CCc1ccc([C@H]2CCCCCN2C(=O)c2cccc(-n3cccc3)c2)o1 1775996768 IAKYTOWHHVCBNO-OAQYLSRUSA-N 362.473 5.390 0 40 FKAB Cc1ccc(NC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)cc1 1415142 JFVPSGIVJCMYMF-UHFFFAOYSA-N 371.893 5.136 0 40 FKAB O=C(Nc1ccc(F)cc1C(F)(F)F)C1(c2ccccc2)CCCC1 2512626 GGXYBRGQTJLAIF-UHFFFAOYSA-N 351.343 5.295 0 40 FKAB Clc1ccc(CSc2nnc(-c3cc(Cl)nc(Cl)c3)o2)cc1 2570654 HNMWXCHNAFVGGQ-UHFFFAOYSA-N 372.664 5.384 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2746087 ADZOSHKRQBNTJI-ZDUSSCGKSA-N 366.288 5.742 0 40 FKAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(Cl)cc1Cl 3338627 GLQAROQVOYCFHD-GFCCVEGCSA-N 353.318 5.301 0 40 FKAB CCCC1CCC(c2ccc(-c3noc(C4CCCCC4)n3)cc2)CC1 3584806 RNQMGQHXNSGHSQ-UHFFFAOYSA-N 352.522 6.858 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 3845756 RQNYQAQPXXMMQI-YUXAGFNASA-N 350.502 5.823 0 40 FKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)[C@H]12 3904188 QWRZTDIVFDZYDY-SIKLNZKXSA-N 359.425 5.606 0 40 FKAB CCN1C(=O)c2cccc3c(NC(=O)Nc4ccc(Cl)cc4)ccc1c23 4071868 QYWNASKSNOUALM-UHFFFAOYSA-N 365.820 5.117 0 40 FKAB Cc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)s1 4349554 KLOAFYOJZHRCNM-UHFFFAOYSA-N 370.521 6.816 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(C)c1 5681753 GGOBTGXXBGNEGW-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB CCN(CC)Cc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 5840152 PAKFQTNZLCWULY-DEOSSOPVSA-N 372.512 5.565 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1Oc1ccccc1 6245545 JUWBEWCLYCZIJI-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB Cc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)c2ccccc2n1 6319219 JSVLHBXOOPLFSS-UHFFFAOYSA-N 370.427 5.279 0 40 FKAB Cc1nc2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc2o1 7036590 JZFKDJJPHKXSRT-UHFFFAOYSA-N 356.381 5.013 0 40 FKAB C[C@H](NC(=O)c1c2c(nc3ccccc13)CCC2)C12CC3CC(CC(C3)C1)C2 7159423 PRNKAEGYPOYXBC-SBNSQYLKSA-N 374.528 5.058 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)cs1 7844914 YHSURZSFWDHDBK-UHFFFAOYSA-N 350.487 5.423 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1cccc2ccccc12 8128279 UXVJOBREBJLOQS-OAHLLOKOSA-N 360.482 5.212 0 40 FKAB CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1 8586826 IJZLULMDADBXSG-ZDUSSCGKSA-N 362.926 5.129 0 40 FKAB CCc1ccc(-c2noc(CN[C@@H](c3ccc(Cl)cc3)C(C)C)n2)cc1 12972062 UZWSMICUHBAVHF-HXUWFJFHSA-N 369.896 5.439 0 40 FKAB CCCc1ccc(CN(Cc2ccncc2)Cc2ccc(OC)cc2)s1 13570252 XWPDRRDGZABYTF-UHFFFAOYSA-N 366.530 5.307 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSC1CCCCC1 13717005 UCRFDOADCWNKMV-UHFFFAOYSA-N 367.558 5.391 0 40 FKAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccc2)n1 19715112 DRVDBDKXQHSPQK-LJQANCHMSA-N 368.477 5.101 0 40 FKAB Cc1nc(COc2ccc(CN[C@@H]3CCCc4ccccc43)cc2)cs1 24081581 WOPGYJBWBVQHQI-JOCHJYFZSA-N 364.514 5.198 0 40 FKAB c1ccc(-c2cc(-c3ccco3)c(-c3ccco3)nc2-c2ccccn2)cc1 26897047 GJTKXPRFIGLAAA-UHFFFAOYSA-N 364.404 6.331 0 40 FKAB Cc1ccccc1[C@@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 28188033 VWQAGLJLGIALCJ-IBGZPJMESA-N 362.454 5.828 0 40 FKAB O=C1c2cccc3cccc(c23)[C@@H]1[C@H](Sc1ccccc1)c1ccccc1 28294688 BLDWPPBXFJYBGS-UKILVPOCSA-N 366.485 6.653 0 40 FKAB COc1ccc(CN(Cc2csc(Nc3ccccc3)n2)C2CC2)cc1 39990643 BOCKJCHRLQPPQT-UHFFFAOYSA-N 365.502 5.060 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214107 DFGGWDLQJSMGIZ-SFHVURJKSA-N 353.466 5.287 0 40 FKAB CCOc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 106957041 BWIAWGPALWBIMG-UHFFFAOYSA-N 358.638 5.252 0 40 FKAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118930410 GIYJTJPCTWLLOH-LXGBQXIBSA-N 360.538 5.166 0 40 FKAB CC(C)c1ccc(CCCNC(=O)COc2ccc3ccccc3c2)cc1 222839124 OWKDLRUNTQHIHR-UHFFFAOYSA-N 361.485 5.091 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 223845732 BUQHZMBVAXLZIC-MRXNPFEDSA-N 373.924 5.165 0 40 FKAB CC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O 238768411 ORSAOVRZIKEJLG-PKSNXOPFSA-N 362.510 5.760 0 40 FKAB biogenic,in-vitro Cc1ccc(-c2[nH]c(=Nc3cccc(Cl)c3Cl)sc2C)cc1C 409042402 MSSGTEKTSYLMKI-UHFFFAOYSA-N 363.313 6.208 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1cccc(F)c1 409112863 CJXIOIIVZLUVDF-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1C 929408 RBKKHSHKQWUCQT-UHFFFAOYSA-N 370.449 5.084 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c3c(cccc13)CC2 990015 USVSIZVDTBVBBO-UHFFFAOYSA-N 353.421 5.353 0 40 FKAB Cc1ccc(-c2csc(-n3nc(C(C)(C)C)cc3C(F)(F)F)n2)cc1 1415784 WNDXDQQIXRUUJK-UHFFFAOYSA-N 365.424 5.621 0 40 FKAB Cc1ccc(OCc2ccccc2C(=O)N2CCCc3ccccc32)cc1 1441934 GEYLVHFNCGKHJL-UHFFFAOYSA-N 357.453 5.167 0 40 FKAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(N4CCCCC4)c23)cc1 1447537 VYCJKCXDVGKDGV-UHFFFAOYSA-N 354.457 5.078 0 40 FKAB Cc1cccc2c(N3CCN(c4ccccc4)CC3)c3c(nc12)CCCCC3 1718140 ICNGMTAVAMARSV-UHFFFAOYSA-N 371.528 5.139 0 40 FKAB Cc1ccc2c(c1)-c1c(sn(-c3cccc(Cl)c3)c1=S)C(C)(C)N2 2055930 HZVDXKDSIJNWNI-UHFFFAOYSA-N 372.946 6.558 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2093870 RVZDVRZIPBBPIQ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4361182 ILSQVBUIQAZJJU-REWPJTCUSA-N 374.509 6.114 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(Cl)cc1 4678505 UEQQYYQPGOUNRO-UHFFFAOYSA-N 373.887 6.020 0 40 FKAB CC(C)(C(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1 5452551 MJKOVHMVOGRLLG-JOCHJYFZSA-N 358.437 5.494 0 40 FKAB Clc1ccc(COc2ccccc2CNc2ccc(Cl)cc2)cc1 5679455 MXSXCHGWMJGHGI-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 6223274 XXSSWZCARWTUOW-UHFFFAOYSA-N 351.833 5.100 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)/C(=C/c1ccccc1Cl)c1ccccc1 10449659 OLYPZZCACRJMLN-QFGIDJEJSA-N 373.883 5.858 0 40 FKAB O=C(O)c1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1Cl 10822439 UPNDWNGWXGGZOA-UHFFFAOYSA-N 366.225 5.159 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1)C(C)(C)N2 12523981 VQIKUVSZYLIJJI-UZYVYHOESA-N 372.946 6.331 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)s1 14132456 NOFGTWGZLNFGAC-WOJGMQOQSA-N 365.479 5.446 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(F)(F)F)cc1 14410972 JFGZYPBTOZHTER-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB Fc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1 16449695 ZFJKYFALGRMOKL-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1C 17053004 UTGYMJFVOXOYJF-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 20036261 RDBBUOFNAWJGAN-KRWDZBQOSA-N 363.482 5.552 0 40 FKAB Cc1ccc(-c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1 36631345 TYNKORTXHQVWSJ-UHFFFAOYSA-N 360.438 5.250 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(C)cc2)cc1 44903525 ZQERYJQJLHIUKI-NRFANRHFSA-N 371.546 5.140 0 40 FKAB CC1=C(C)[C@H](C)[C@@]2(C)N(c3ccc(Br)cc3)N=N[C@]2(C)[C@H]1C 45070104 AEIGMGYOVQMLSX-LBTBCDHLSA-N 362.315 5.776 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc2oc(C3CC3)nc2c1 58402978 GXDKWBGJVKIGFL-GFCCVEGCSA-N 369.852 5.106 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1C 72229879 VNXAWVCPNIOEPF-OAQYLSRUSA-N 365.860 5.291 0 40 FKAB CC(C)c1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 73639128 OEVKGCGGQUHBAS-UHFFFAOYSA-N 366.258 6.534 0 40 FKAB CC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(Oc2ccc(C)cc2)cc1 97005079 JGNRQKHKKDGXMD-XQNSMLJCSA-N 368.436 5.593 0 40 FKAB CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(Br)cc12 118813739 ICCOIKSJMYKUFO-UHFFFAOYSA-N 363.182 5.178 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)nc2c1 225260545 PHEGESZHHKVMIX-MRXNPFEDSA-N 355.441 5.029 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2ccccc2C)cc1Cl 225360864 SGWFOINFQCMFGB-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225748326 KDAIOKUPFIDGDL-LJQANCHMSA-N 355.906 5.443 0 40 FKAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225753183 ACMTWHZGHDHDPN-LLVKDONJSA-N 372.843 5.715 0 40 FKAB COc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1Cl 225853455 WMNSJXMGPXOGCD-UHFFFAOYSA-N 374.937 5.413 0 40 FKAB Cc1cccc(NCc2cccc(OCc3cccc(Cl)c3)c2)c1C 409116856 NDTPLZBRMCVEHA-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1csc(Nc2nc(-c3sc(-c4ccccc4)nc3C)cs2)n1 633712 LWVZDWBIEJBSBQ-UHFFFAOYSA-N 370.528 5.751 0 40 FKAB O=P(Nc1ccccc1)(Nc1ccccc1)Oc1ccc(Cl)cc1 658451 YFNNAEMDYPKUAR-UHFFFAOYSA-N 358.765 6.051 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1c1ccc(F)cc1 799698 WDVLRBGPCWFGEU-LJQANCHMSA-N 352.796 5.250 0 40 FKAB COc1ccc(-c2csc(-c3cc4cc(Cl)ccc4oc3=O)n2)cc1 846075 PRZGHHOTHDZHJY-UHFFFAOYSA-N 369.829 5.246 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(F)cc23)cc1 862443 BSDXHMHCOAOMLA-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB Clc1ccc(-c2cnn3c(-c4ccc5ccccc5c4)ccnc23)cc1 1394963 DKIMWEXGLJFFKM-UHFFFAOYSA-N 355.828 5.870 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)c(C)c1 1505478 IYHYRTBOOBGLIX-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(COc1ccccc1Cl)O[C@H]1CCCC[C@H]1C1CCCCC1 1596187 RQKPSQNXTXVOEX-WMZOPIPTSA-N 350.886 5.401 0 40 FKAB O=C1O[C@](Nc2cccc(C(F)(F)F)c2)(c2ccccc2)c2ccccc21 2084968 ANEHNPKXOCCKNQ-HXUWFJFHSA-N 369.342 5.189 0 40 FKAB COc1ccc(C(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1 2427964 LFRUMYRCUXTMFY-UHFFFAOYSA-N 372.515 5.305 0 40 FKAB Cc1ccc(NC(=O)CS[C@@H](C)c2ccccc2Cl)c(Cl)c1 2656149 ZQNHGHCSQNIVAR-LBPRGKRZSA-N 354.302 5.735 0 40 FKAB CCOc1ccc(-c2nc(-c3ccc(Cl)s3)cs2)cc1OC 3356654 HAAJNPARMHYJPG-UHFFFAOYSA-N 351.880 5.599 0 40 FKAB CC(=O)c1ccc(NC(=S)Nc2ccccc2Cc2ccccc2)cc1 3414859 ZLTHSPMHDWYPIY-UHFFFAOYSA-N 360.482 5.289 0 40 FKAB COC1=CC2=CC[C@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4026457 OKMHWOWJDRPCCT-HBVKEFHRSA-N 356.506 5.165 0 40 FKAB biogenic COc1cc2c(cc1N[P@](C)(=O)Oc1ccccc1)oc1ccccc12 4313766 NISTZNWLDBAGLW-AREMUKBSSA-N 367.341 5.908 0 40 FKAB O=C(CCNc1ccccc1Br)c1ccc(Cl)c(Cl)c1 4455738 GUJJCPHMMYTMQZ-UHFFFAOYSA-N 373.077 5.441 0 40 FKAB CC(=O)Nc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 4561234 LZFWFBUCUCUHGE-UHFFFAOYSA-N 351.475 5.636 0 40 FKAB Cc1cccc(C)c1NC(=O)CCCCCCCCCC[C@H]1CCCO1 4610717 NEDKFISIPYJYHS-NRFANRHFSA-N 359.554 6.322 0 40 FKAB Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1 4969951 MJMLASBHGHYTLB-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB Cc1ccccc1CSCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 5368117 DVBFASWIFHIJQJ-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB C[C@@H]1C(=O)C[C@@H](c2ccccc2)[P@@](=O)(c2ccccc2)[C@H]1c1ccccc1 5377104 AUZDPWZTRBQLEU-FRYPSDJTSA-N 374.420 5.767 0 40 FKAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1Cl)N2 6045479 MSLRJSCPYNQFKI-IJOGARHTSA-N 353.849 5.335 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 6629544 HYXURMZTNUQRFS-XDHOZWIPSA-N 368.502 5.157 0 40 FKAB COc1ccc(/N=c2\cc(-c3cccs3)oc3ccccc23)cc1OC 6754928 RVIVTQBKEHIFED-CJLVFECKSA-N 363.438 5.411 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccccc2SCc2ccccc2)c(C)c1 7684535 ZNPZVMYTPLQCBY-UHFFFAOYSA-N 361.510 6.156 0 40 FKAB Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)sc2ccccc12 8312685 MSJXQLOEGBWQIE-UHFFFAOYSA-N 365.454 5.504 0 40 FKAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1 13676681 GHTYPHBNHBQENE-MRXNPFEDSA-N 367.514 5.177 0 40 FKAB CC(C)c1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 13810408 HOVITIFMNZUZLM-QHCPKHFHSA-N 356.469 5.290 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1SC(F)F 14603404 IURSAIVDDCQFLJ-SNVBAGLBSA-N 357.809 5.061 0 40 FKAB CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 15016749 ZZMAYUGCYSCZQN-KNQAVFIVSA-N 360.482 5.553 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 17086086 PGFPAFMZDWVGTN-KZULUSFZSA-N 354.519 5.025 0 40 FKAB Cc1c(Cl)c(CN(Cc2ccco2)Cc2ccco2)nc2ccccc12 24830022 ZZECICAENGMIRV-UHFFFAOYSA-N 366.848 5.585 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1SC 30866171 IWEBGJFWJSCVIO-HNNXBMFYSA-N 351.924 5.571 0 40 FKAB CSc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)c(C)c2)o1 33027712 UTILYFUPXJKBTL-UHFFFAOYSA-N 365.498 5.857 0 40 FKAB Cc1ccn2c(Nc3cccc(Cl)c3C)c(-c3cccc(O)c3)nc2c1 35616523 JSPPKIFAMLCNPA-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1C(F)(F)F 40096002 YKOUPBRVGGYOEU-UHFFFAOYSA-N 362.804 5.474 0 40 FKAB Clc1ccc(CNc2nc(N3CCCCCC3)c3ccccc3n2)cc1 41149431 WLVSNWGYYZTWAV-UHFFFAOYSA-N 366.896 5.276 0 40 FKAB Cc1cc(-c2nn(-c3ccccc3)cc2C=O)ccc1OCc1ccccc1 53944006 PVPSQMJWYVNIPH-UHFFFAOYSA-N 368.436 5.239 0 40 FKAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccccc2)cc1 57314005 KOJIGUMJOUWVQK-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB Cc1sc(-c2cccc(O)c2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 78592981 AWTNHZPUFXESFP-UHFFFAOYSA-N 366.486 5.476 0 40 FKAB CC[C@H](C)[C@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918406 RVIKYYISNDYLSJ-GWCFXTLKSA-N 359.379 5.463 0 40 FKAB Cc1cccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1F 98073074 CHMBKTYTQUZMJV-INIZCTEOSA-N 361.416 5.107 0 40 FKAB CC[C@H](C)N(C(=O)CCCC(=O)N([C@H](C)CC)[C@H](C)CC)[C@H](C)CC 102609062 BKGXIBOYIPJXEY-MKXGPGLRSA-N 354.579 5.008 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1Cl 106972081 GOSSBKGURAIQLW-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219613326 UDQROLXAXQJOBO-UXHICEINSA-N 359.897 5.382 0 40 FKAB Cc1cccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)n1 224000643 KODKRAAXFWXPRU-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224597380 PNVQRAJSVYLFQZ-UHFFFAOYSA-N 357.453 6.281 0 40 FKAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225494880 SCMFLKUJCPGDCI-UHFFFAOYSA-N 362.429 5.372 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccc(Br)cc2)cc1C(C)C 225655410 BWPOAQWFTXNLSA-UHFFFAOYSA-N 362.267 5.142 0 40 FKAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c2ccccc12 225833709 GWOUWIVKAQZEEG-UZUQRXQVSA-N 369.505 5.553 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c2cccnc12 225909382 CSGVFJZDYLEJLO-UHFFFAOYSA-N 370.493 5.092 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(-c3c(F)c(F)c(F)c(F)c3F)oc12 226248586 ZMLSDCPXMZVSNI-UHFFFAOYSA-N 364.273 5.289 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 408548471 SHBMSVWVIVKUFU-UHFFFAOYSA-N 351.446 5.679 0 40 FKAB Cc1ccc(-c2noc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)cc1F 1615611177 UUOLIZMYQFTRMC-UHFFFAOYSA-N 364.351 5.783 0 40 FKAB O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1 642727 KUZRYVQGPWKXPD-UHFFFAOYSA-N 371.461 5.212 0 40 FKAB S=c1oc(-c2ccccc2Cl)nn1CNc1ccccc1Cl 1063032 GUAXQNMUUILWTO-UHFFFAOYSA-N 352.246 5.249 0 40 FKAB COc1ccc([C@@H](CC(=O)c2ccco2)SCc2ccco2)cc1OC 1454635 VHTRYRYPQITPMV-HXUWFJFHSA-N 372.442 5.137 0 40 FKAB CCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 1803330 YNUDSABIBCDELR-UHFFFAOYSA-N 357.548 5.573 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c[nH]c2ccccc12 2626239 JGSVPMZYQSJWLQ-UHFFFAOYSA-N 350.462 5.045 0 40 FKAB Cc1s/c(=N\c2ccccc2)n(CCc2ccccc2)c1-c1ccccc1 2677216 FGQMPKBXLIIQNN-IZHYLOQSSA-N 370.521 6.000 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@H](Sc1ccccc1)c1ccccc1 2737860 JCARMIKUANXPLQ-HSZRJFAPSA-N 369.489 6.312 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 3241595 KCJKLJHYQOFJRQ-UHFFFAOYSA-N 352.478 5.108 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 3850029 KCBHZVKBMOMXJF-JDAKRHAISA-N 358.566 6.297 0 40 FKAB biogenic Clc1ccc(SCCNc2ncnc3cc(Cl)ccc23)cc1 4060597 CUNCGORFQUXFFK-UHFFFAOYSA-N 350.274 5.141 0 40 FKAB CSC1(SC)[C@H](C(=O)Nc2cccc3c2[C@H](C)CC3(C)C)C1(C)C 4107565 UWPPUOHXVZXPPS-MLGOLLRUSA-N 363.592 5.488 0 40 FKAB Cc1ccc(CN([C@H]2CCCc3ccccc32)[C@@H]2CCCc3ccccc32)o1 4699255 VPUJLPIELIOCGW-WMPKNSHKSA-N 371.524 6.545 0 40 FKAB CCOc1cc(CNC2CCCCC2)ccc1OCc1ccccc1Cl 6207433 ZCHVIXKUHDDCJA-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB O=C(OCc1csc(-c2ccccc2Cl)n1)c1c(F)cccc1F 7180855 GMJXGXZAOFQAIF-UHFFFAOYSA-N 365.788 5.099 0 40 FKAB CCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 7261677 WJPGXIMLLBEHFJ-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)o1 7442380 YVMLRKJRIMJFFO-GFCCVEGCSA-N 358.850 5.062 0 40 FKAB C[C@H](NCc1ccc(-c2cccc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 7524801 INAAQPQRHSELAX-SCUMNGBJSA-N 369.936 6.295 0 40 FKAB O=C(NCc1ccc(F)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 7807813 YXNZYBCNHIYWNI-UHFFFAOYSA-N 372.399 5.078 0 40 FKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)Nc1ccccc1 8274992 CWVVPFBURXCYQK-UHFFFAOYSA-N 370.456 5.345 0 40 FKAB Cc1cc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)no1 8718810 UFUAGMANLPKZJB-UHFFFAOYSA-N 351.406 5.025 0 40 FKAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@H](C)CC4)c(C)c2cc1Cl 11915502 IDFJHRHXBNBNOJ-SECBINFHSA-N 358.825 5.068 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 13362225 KYUZKRJIOGSDGT-FOWBGHGSSA-N 372.549 5.022 0 40 FKAB Cc1ccc(NC(=O)c2sc(=S)n(C3CCCCC3)c2N)c(C)c1 13547275 UODHHLAKPIBFKB-UHFFFAOYSA-N 361.536 5.236 0 40 FKAB FC(F)(F)c1cc(-c2ccccc2)nnc1Oc1ccc(Cl)cc1 14113730 YSTYUSIAHMLRMV-UHFFFAOYSA-N 350.727 5.608 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1cc(C)ccc1C 14651702 BLJRJRDYQSYVIE-UHFFFAOYSA-N 362.267 5.107 0 40 FKAB O=C1N=C2C(=C(O)c3ccccc32)[C@@H](c2ccc(Br)cc2)S1 18165052 SEAKIANMGAOVCL-MRXNPFEDSA-N 372.243 5.129 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc(C(C)C)cc1 19879352 SNPUCSRKOVBXOF-DEOSSOPVSA-N 355.485 6.196 0 40 FKAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1Cl 27279962 AASGKGHQJXJMPS-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB CC(C)(C)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 37866268 GZLPSKJLMBWYQN-UHFFFAOYSA-N 354.497 5.973 0 40 FKAB COc1cccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)c1 40216953 ZGOSUNLKZQMSEY-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB CC(C)N(C(=O)c1cn2ccccc2n1)c1ccc(Nc2ccccc2)cc1 71825500 SALACWBUAIUUPI-UHFFFAOYSA-N 370.456 5.133 0 40 FKAB CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 72215119 DVFGELBPMWYQMT-FUHWJXTLSA-N 361.530 5.169 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 78458530 ARVHFWIKHMHLKS-VGOFRKELSA-N 367.533 5.581 0 40 FKAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@H]1C[C@H]1c1cccc(F)c1 84560032 YEVULEXMNNXVQI-HKUYNNGSSA-N 367.370 5.513 0 40 FKAB Cc1ccc(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)o1 89652371 KFKAYVLECZNKFY-LLVKDONJSA-N 355.381 5.138 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCC=C[C@]4(C)[C@H]3CC[C@@]21C 118922845 MRKRQGONFROXPO-XWLABEFZSA-N 370.665 8.274 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1C 219238945 ZKNQJRWTDLSMKQ-XLIONFOSSA-N 364.533 5.026 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219369773 SZSMXOXOZJYEBP-RTWAWAEBSA-N 353.506 5.345 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1cccc2ccccc12 225089033 AJTWJSAFPBBSBV-GOSISDBHSA-N 361.224 5.221 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C)n1 225861652 JOMJMLLYGNUKIA-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB CCC(C(=O)Nc1ccc(OC)cc1C)(c1ccccc1)c1ccccc1 225935365 GNLHCRFPIMRCOL-UHFFFAOYSA-N 359.469 5.338 0 40 FKAB Clc1ccc(-c2nc(CSc3ncc(-c4ccccc4)o3)co2)cc1 226795021 BGTBYLRUWTXICA-UHFFFAOYSA-N 368.845 5.942 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 408581549 XVGYGRNVQJJOTE-UHFFFAOYSA-N 370.905 5.895 0 40 FKAB COc1cc2c(cc1C)-c1nc(Nc3ccc(Cl)cc3)sc1CC2 408888531 WTEPJXSDPXVXSP-UHFFFAOYSA-N 356.878 5.623 0 40 FKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(C)cc1 409180076 VHVWPPJHPNUECA-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB O=c1c(OCc2ccccc2)c(-c2ccco2)oc2ccc(Cl)cc12 668109 MNZSOAJYNMGPPU-UHFFFAOYSA-N 352.773 5.285 0 40 FKAB COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1 837561 UTUUPXBCDMQYRR-QHCPKHFHSA-N 373.496 5.786 0 40 FKAB in-vitro COc1ccccc1[C@H](Nc1ccc(F)cc1)c1c(C)[nH]c2ccccc12 1281096 CBCVZRLKRSZIRJ-QHCPKHFHSA-N 360.432 5.826 0 40 FKAB C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 1438229 PICLVTIVPWKLBJ-VFNWGFHPSA-N 362.860 5.542 0 40 FKAB CCCc1cc([C@@H](CC)[C@H](CC)c2ccc(O)c(CCC)c2)ccc1O 1677710 VIUBQLSSDPDWRH-FGZHOGPDSA-N 354.534 6.690 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)cc2)cc1 2247390 KQFRGBCHJQPQBQ-UHFFFAOYSA-N 350.425 5.253 0 40 FKAB CC(C)Oc1ccc(CNCC[C@@H](Cc2ccccc2)c2ccco2)cc1 2404659 LZFIVDDQWGXNNY-QFIPXVFZSA-N 363.501 5.573 0 40 FKAB COc1ccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)cc1OC 2663267 UPFSIVUTCSOIPV-FYWRMAATSA-N 359.425 5.023 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 2733508 WFZBILAIGQOBGB-UHFFFAOYSA-N 352.481 6.440 0 40 FKAB O=C(O[C@@H]1CCCCC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3332401 AKFMLZRWTYJKGQ-GOSISDBHSA-N 362.347 5.041 0 40 FKAB Brc1ccc(CNC(c2ccccc2)c2ccccc2)cc1 4657415 RKXJBDWFYJWJKP-UHFFFAOYSA-N 352.275 5.328 0 40 FKAB FC(F)(F)c1nc(Nc2ccccc2)sc1-c1cccc(Cl)c1 4852764 JDESXVMADOMISB-UHFFFAOYSA-N 354.784 6.226 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)O)s2)c1 5023161 AVPHCMAWOKKSAQ-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB Cc1ccc(Nc2nc(COC(=O)c3cccc(Cl)c3)cs2)cc1 6038376 KUDQIWPGNYWFHA-UHFFFAOYSA-N 358.850 5.206 0 40 FKAB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1C(C)C 6324987 WIJYLIYNRVGNSO-KDWIEBRMSA-N 354.475 5.036 0 40 FKAB CN(Cc1ccc(Cl)cc1)c1ncnc2sc3c(c12)CCCCC3 6881928 ABYFKOCNUNGFRK-UHFFFAOYSA-N 357.910 5.250 0 40 FKAB Nc1c(Cl)cc2oc(-c3cccc4c(Cl)cccc34)nc2c1Cl 6926793 UPCXYRFLGYMAQJ-UHFFFAOYSA-N 363.631 6.190 0 40 FKAB Clc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 8410014 RQAUSSXRNFCSGC-UHFFFAOYSA-N 360.910 5.483 0 40 FKAB CCCCCCOC(=O)C[C@@H]1C[C@H](C(=O)OCCCCCC)C1(C)C 8579691 LQWWBUISXKONLQ-ZWKOTPCHSA-N 354.531 5.286 0 40 FKAB O=C(CCCC(=O)c1cccs1)Nc1ccc(Oc2ccccc2)cc1 12739277 FYELICDVMUWBFA-UHFFFAOYSA-N 365.454 5.532 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 12862409 JZWUVARUMJFHPA-KUHUBIRLSA-N 371.889 5.075 0 40 FKAB Clc1ccc2c(c1)nc(SC[C@H]1CCCCO1)n2Cc1ccccc1 12970694 CLISZKFZPSTHJA-QGZVFWFLSA-N 372.921 5.399 0 40 FKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1 14649265 NUNFQLBUOMLRBO-UHFFFAOYSA-N 362.267 5.189 0 40 FKAB FC(F)(F)c1ccc(COc2cccc3ccc(N4CCCC4)nc23)cc1 17170672 PYYPWZGBCPFJEI-UHFFFAOYSA-N 372.390 5.433 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580250 TWOZDNSEFMMBMP-UHFFFAOYSA-N 371.440 5.053 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccc2ccccc12 23912259 WOGDVFLGAXPHKU-INIZCTEOSA-N 369.468 5.133 0 40 FKAB CN(Cc1ccsc1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 32741277 AECRZCAHNKDRBN-UHFFFAOYSA-N 365.376 5.299 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(Cl)cc1 40891731 SJOZBLXFYQACDD-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB CCCCNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213689 ZACRTILONHFJAP-HXUWFJFHSA-N 367.493 5.157 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O 102741460 KCFQFDAEQSMTFC-IAGOWNOFSA-N 356.506 5.040 0 40 FKAB C[Si](C)(C)C1=C[C@H]([Si](C)(C)C)C([Si](C)(C)C)=C[C@@H]1[Si](C)(C)C 169816695 HDFLQRJSCHMOCV-YJBOKZPZSA-N 368.862 7.024 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Oc1ccc(Oc2ccccn2)cc1 218971348 OLRCTHJTDGUTBB-UHFFFAOYSA-N 353.805 5.066 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc2ccccc12 222892818 NFKIRQFWMBEECQ-NRFANRHFSA-N 367.876 5.275 0 40 FKAB Cc1cc(C)c(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 225636551 SQIDSHMJYAFBQS-OAQYLSRUSA-N 363.501 5.568 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c2ccccc12 225822941 QNXORQATUFMRJH-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCOC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 226236853 CUQHYMPBPLZGSI-UHFFFAOYSA-N 350.805 5.213 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(C)cc1 408564103 XTJLWRAZUKKANT-FCQUAONHSA-N 364.514 5.239 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1 408835659 YYOVFCTUZFDLCY-UHFFFAOYSA-N 356.878 5.668 0 40 FKAB Nc1ncnc2oc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)c12 408973454 AXOFMIMIGNHRGJ-UHFFFAOYSA-N 363.420 5.806 0 40 FKAB Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 409108214 VTFVWAZRAHBQAT-UHFFFAOYSA-N 371.509 5.459 0 40 FKAB Cc1ccccc1CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 409380552 GTZLMPNKLMAUPU-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCc1cc(C(=O)Nc2ccccc2C(=O)OC)sc1-c1ccccc1 585152242 FVIHOGQAZAEAGL-UHFFFAOYSA-N 365.454 5.016 0 40 FKAB Fc1ccc(Cc2ccc(C3CCN(CCc4ccccc4)CC3)nc2)cc1 585176613 PCDIKHOQMAXWCU-UHFFFAOYSA-N 374.503 5.234 0 40 FKAB CC1(C)C[C@@H]2CN(C(=O)CC3CCCCC3)CC[C@@H]2N1c1ccc(F)cc1 1615157547 KXBXNCKURMGFNQ-NQIIRXRSSA-N 372.528 5.002 0 40 FKAB Cc1c(-c2csc(NC(=O)c3ccc(F)cc3)n2)oc2ccc(F)cc12 1775965221 ODIPRYNRVIFAGR-UHFFFAOYSA-N 370.380 5.395 0 40 FKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc2ccccc12 863663 LPKHDGRFNPGXPX-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB CCOc1ccccc1C(=O)Oc1ccc2c(Br)cccc2c1 1017211 IJXFXLYTYBQPMW-UHFFFAOYSA-N 371.230 5.220 0 40 FKAB CCc1ccccc1-n1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1C 1018242 MTLCUKNLSQWHQW-UHFFFAOYSA-N 361.489 5.293 0 40 FKAB O=C(CC(CC(=O)c1ccccc1)c1ccccc1C(=O)O)c1ccccc1 1460564 GNDXWNDFULUNTA-UHFFFAOYSA-N 372.420 5.014 0 40 FKAB C[C@H]1C[C@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccccc1 2322925 JHEJTELHSRTSOX-KKSFZXQISA-N 360.432 5.418 0 40 FKAB C[C@H](Oc1cccc2c1CCN(Cc1ccccc1)C2=O)c1ccccc1 2716324 IQSFWKDIMRWHLN-SFHVURJKSA-N 357.453 5.025 0 40 FKAB O=C(Nc1ccccc1)Nc1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 3069915 XGIHMPLNECSXHE-UHFFFAOYSA-N 374.227 5.197 0 40 FKAB O[C@@H](COc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21 3121242 WMELUDVXRQTKHL-LJQANCHMSA-N 367.448 5.388 0 40 FKAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 3205129 PGTYGTMMEHKSOD-UHFFFAOYSA-N 369.462 6.206 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)cc(Cl)c1 3214032 YADNSLBYSKIHGZ-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB CC(=O)N1c2ccccc2N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1 4133185 XVGCEHVYKXBANW-XMMPIXPASA-N 354.453 5.614 0 40 FKAB CCCCc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137718 IKHMKVPSLOEDPQ-UHFFFAOYSA-N 357.479 6.131 0 40 FKAB C1=C2[C@@H]3CCCC[C@@H]3O[C@H](c3ccc[n+](Cc4ccccc4)c3)[C@H]2CCC1 4587597 VGZDMJBYELSMKA-OJJQZRKESA-N 360.521 5.379 0 40 FKAB O=c1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)[nH]1 4606895 QQQRRUUJVCYFTM-UHFFFAOYSA-N 363.269 5.036 0 40 FKAB Cc1ccc(NC(=O)c2cc3cc(Oc4cccc(C)c4)ccc3[nH]2)cc1 4702640 ISTMZKRPBZLHBP-UHFFFAOYSA-N 356.425 5.829 0 40 FKAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1 5198873 ONUXYYWKWPSGHA-KDOFPFPSSA-N 354.519 5.062 0 40 FKAB CCOc1ccc(NC2=NC(=O)S/C2=C\c2ccc(Cl)cc2)cc1 5444560 MNPKTUXPJGXWHZ-WJDWOHSUSA-N 358.850 5.457 0 40 FKAB O=C1CSc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)n21 5531380 MPCKXHYALYNPEA-UHFFFAOYSA-N 361.253 5.270 0 40 FKAB CC(=C=CC(C)(C)[C@H]1OCCN1C(=O)Nc1ccccc1)CCC=C(C)C 5631513 HIFWBECTVPZKHA-OKKPIIHCSA-N 368.521 5.751 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 6393037 XCZIXCPKQHPPGF-UHFFFAOYSA-N 355.359 5.554 0 40 FKAB Cc1cc(C)c2c(N)c(C(=O)c3ccc(C4CCCCC4)cc3)sc2n1 6655134 BTTSTIKJLOSHCH-UHFFFAOYSA-N 364.514 5.774 0 40 FKAB C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(Oc4cccnc4)c23)C1 6911639 CQZXPHLKSTZYRF-CYBMUJFWSA-N 374.469 5.065 0 40 FKAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(Cl)cc1Cl 7598789 XKOAPAWSCINUSD-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB Cc1ccccc1[C@@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1 12895509 MKTAYITZBYOTKU-HNNXBMFYSA-N 363.408 5.024 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 14399292 ZTPRNBDCVFJPBC-LLVKDONJSA-N 357.759 5.073 0 40 FKAB CCOc1ccc(OCCCC(=O)Nc2cccc(Cl)c2Cl)cc1 15010933 CYEZLGLCGYYFIP-UHFFFAOYSA-N 368.260 5.190 0 40 FKAB O=C1CS[C@H](c2ccccc2Cl)N1c1cccc(C(F)(F)F)c1 17197976 YKPUZOGHYPQXKL-OAHLLOKOSA-N 357.784 5.137 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20454246 BCXHQMBBDNSCEZ-XMSQKQJNSA-N 367.533 5.655 0 40 FKAB O=C1CCCc2c1c(Nc1ccc(Cl)c(Cl)c1)nn2-c1ccccc1 20671877 HVYDVGPZEMXWPF-UHFFFAOYSA-N 372.255 5.442 0 40 FKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)cc1C 21006004 NWKTWQYUVYMRKY-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CN[C@H](C)[C@H](O)c2ccccc2)o1 22076863 QFPMDQLNKKZKMA-VFNWGFHPSA-N 355.865 5.120 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 22250670 FVDLAKIGPDJROH-UHFFFAOYSA-N 357.759 5.318 0 40 FKAB Cc1ccc(-c2c(C)nn3c(Nc4ccc(C)c(C)c4)cc(C)nc23)cc1 27585790 SINPTAICLDHQDS-UHFFFAOYSA-N 356.473 5.682 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2o1 28250171 ZSRDQNMXJOQWOI-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB COc1ccc(C)cc1[C@H](CC(=O)N(C(C)C)C(C)C)c1ccccc1 38278828 BXYCIYQHBLEYJW-HXUWFJFHSA-N 353.506 5.171 0 40 FKAB in-vitro O=C(Nc1ccc2ccccc2n1)c1ccc(Sc2ccccn2)cc1 58223451 APOMWWKTXLPBFU-UHFFFAOYSA-N 357.438 5.033 0 40 FKAB CCOc1cccc([C@@H](C)NC(=O)c2sccc2-c2ccccc2)c1 60185336 GPUJMZZDJPLBCC-OAHLLOKOSA-N 351.471 5.305 0 40 FKAB Cc1cc(Cl)ccc1NC(=S)Nc1cccc(CN2CCCC2)c1 71326227 JSDFTVQCKIKTTP-UHFFFAOYSA-N 359.926 5.053 0 40 FKAB CC(C)(C)c1csc(CN2CCC[C@H]2c2nc3ccccc3s2)n1 79072656 NNKFWHYGJMBTHI-AWEZNQCLSA-N 357.548 5.387 0 40 FKAB COc1ccc(C(=O)c2coc3ccc(OCc4ccc(C)cc4)cc23)cc1 96184077 LNBPRWVZQYSNLR-UHFFFAOYSA-N 372.420 5.560 0 40 FKAB CCCO[C@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 118914930 XXOMRYJCPZNLCW-LLINQDLYSA-N 374.565 5.488 0 40 FKAB biogenic CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 216361177 UFOUUXJMNQVQGK-VQTJNVASSA-N 359.897 5.401 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(CSc2ccccc2)c1 224656521 LFYBFQFXMMYYMV-INIZCTEOSA-N 357.519 5.296 0 40 FKAB CC(C)(C)c1ccccc1O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225085329 BVZHVFJNCIAGRO-QGZVFWFLSA-N 367.272 5.366 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225336147 QYXWFQQCLFDOHF-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1 225899661 JBUNXJRMYDKYFG-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB CCOC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2C)n1 408723944 AUPULCNJUGTZOQ-UHFFFAOYSA-N 356.425 5.178 0 40 FKAB CCOc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 409120150 YFXXDUWVVNXQEX-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3ccccc3Cl)cc2)c1 409184301 XCSPGRPOCKNMLS-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)N1CCCC[C@@H]1C 670417836 PJLRDZITWSZCMF-QZGUCNERSA-N 351.534 5.477 0 40 FKAB FC(F)(F)c1cnc(-c2cnn(-c3ccccc3Cl)c2)c(Cl)c1 1384971 GKCXNUPGRODCPR-UHFFFAOYSA-N 358.150 5.260 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H](Nc1nc2c(s1)CCCC2)c1ccccn1 1463040 JWTVYPLNOSVFRB-OAQYLSRUSA-N 374.513 5.408 0 40 FKAB O=C(COc1ccccc1Cl)O[C@H]1CCCC[C@@H]1C1CCCCC1 1596189 RQKPSQNXTXVOEX-AEFFLSMTSA-N 350.886 5.401 0 40 FKAB CN(C)C1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1664118 ZAYWCBDWUNUZFP-UHFFFAOYSA-N 373.499 6.285 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 2395623 ZKSJLMKCBDSGQY-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccc(F)cc1 2708424 NNLXVACXPGZSAB-JOCHJYFZSA-N 357.384 5.320 0 40 FKAB Cc1ccccc1NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 3655945 RYLAYASWJVLIEO-UHFFFAOYSA-N 374.484 5.351 0 40 FKAB Cc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(C(C)C)cc1)=N2 4168592 LDZVKWOIBOYHSY-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB Cc1ccccc1-n1cnnc1SCc1ccc(-c2ccccc2)cc1 4510325 IBBSMRDCLXUJPW-UHFFFAOYSA-N 357.482 5.535 0 40 FKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 4703918 QMTXABOGLQYKGQ-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3cc(Cl)ccc3o2)c1O 4988505 NAWLDCRSFDTNAA-UHFFFAOYSA-N 358.825 5.147 0 40 FKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)cc1 5050922 WPMFGVCZLKFUSV-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CCc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)O)c2c1 5237257 TZJUTISNPLKPTN-UHFFFAOYSA-N 361.372 5.562 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1cc(Cl)c(Cl)cc1C 5524357 XAOUNCPWJADRER-LJQANCHMSA-N 360.369 6.018 0 40 FKAB Fc1ccc(SCc2ccc(CSc3ccc(F)cc3)cc2)cc1 5944804 YPUWCTORPHCMQN-UHFFFAOYSA-N 358.478 6.549 0 40 FKAB CCc1ccc(C(=O)CN(C2=NCCCS2)c2cc(C)ccc2C)cc1 6870916 FBLIOFWGHORPAF-UHFFFAOYSA-N 366.530 5.048 0 40 FKAB CCCCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 7261088 TWANTWCDFFWVIV-UHFFFAOYSA-N 366.332 6.242 0 40 FKAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 7614633 CZPFYLYYPAKKOA-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 8709314 JPGWYKJWDGOGQF-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)cc1 9660020 MXBBCWJHWNXYQK-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB biogenic Cc1nc(-c2ccc(NC(=O)Cc3coc4c(C)c(C)ccc34)cc2)co1 13019245 WNVZBTWYBUKPNI-UHFFFAOYSA-N 360.413 5.194 0 40 FKAB C[C@@H]1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 13510229 CTWBZPZGQUGJLG-IGKWTDBASA-N 368.500 5.051 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1-c1ccccc1 13708638 HBNXRWIPGJSRQO-GOSISDBHSA-N 367.448 5.913 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 13709515 NKBHQNOYIKTMRZ-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB Cc1ccsc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 15016906 CMGUXDWWOAURKL-DNVCBOLYSA-N 352.484 5.360 0 40 FKAB CCOc1c(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)cccc1OC 15018238 LLBUDRKCTDJQMO-HXUWFJFHSA-N 373.452 5.099 0 40 FKAB CN(c1ccccc1)c1ccc(C(=O)c2ccc(Br)cc2)s1 16188816 BYGUOLSXBOUGDM-UHFFFAOYSA-N 372.287 5.510 0 40 FKAB CCn1c(S)nnc1-c1cc(-c2ccccc2Cl)nc2ccccc12 17075380 TYKYEWCNHMOIIR-UHFFFAOYSA-N 366.877 5.122 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20451613 UWFWMYMIOQJDBM-LEWJYISDSA-N 369.505 5.065 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 22522698 XROZIDPHPNMZGC-OAHLLOKOSA-N 374.720 6.156 0 40 FKAB CCc1nnsc1N(Cc1ccccc1)c1ccc(Br)cc1 32611846 HUHZEQQAXBHMRT-UHFFFAOYSA-N 374.307 5.201 0 40 FKAB C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl 33040091 GSYXGONAGCCDRU-KBPBESRZSA-N 370.855 5.310 0 40 FKAB CC(C)Oc1ccc(NC(=O)c2sccc2Br)cc1Cl 40133314 YDLZWHJLBYGOPF-UHFFFAOYSA-N 374.687 5.204 0 40 FKAB CCOC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127219 CHFGGANTFKROML-UHFFFAOYSA-N 370.619 5.632 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(Br)cc2C)c1 71761388 GPKWRJDWLJIONQ-UHFFFAOYSA-N 367.337 5.288 0 40 FKAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100394286 COXAAIGTNDLOER-FVQBIDKESA-N 374.267 5.067 0 40 FKAB CCc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 224686664 HXXAJFOGSYVBRP-SFHVURJKSA-N 359.469 5.319 0 40 FKAB Cc1cc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)ccc1Cl 225091046 RHCFOURPUTWEDX-HNNXBMFYSA-N 359.636 5.030 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225381746 IUULONSTYHRKAH-CYBMUJFWSA-N 350.289 5.366 0 40 FKAB CC(C)c1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)cc1 226333227 OFLWCQNVMZPNAV-PNBTUHDLSA-N 361.485 5.805 0 40 FKAB Cc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(C(=O)O)o1 226356348 FEFZDQRICZCZPO-UHFFFAOYSA-N 363.413 5.329 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408568009 RKLIZOZYMKRXLU-FMIVXFBMSA-N 353.462 5.143 0 40 FKAB Cc1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408925810 QOLJFZXPMMMNAQ-RCCKNPSSSA-N 361.872 5.505 0 40 FKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1cccc(C)c1 409199620 PMZJFQKWJQFDIW-DEDYPNTBSA-N 371.436 5.075 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 682942 KKLBXNOZPNYOJK-SFHVURJKSA-N 357.453 5.277 0 40 FKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1 2184766 MKJFPOGTSJGYOB-UHFFFAOYSA-N 369.486 5.236 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)c(C)c2)cc1 2253718 MIHCEWQFPFDRSP-UHFFFAOYSA-N 364.452 5.561 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C)c1 2638373 KPXSURMAFUKFCG-UHFFFAOYSA-N 362.498 5.558 0 40 FKAB CCCCOc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 3028426 SEFNWHLHZUKIJU-CJLVFECKSA-N 371.436 5.363 0 40 FKAB COc1cc(CNC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 5383664 BVNISHBVPSWGCP-UHFFFAOYSA-N 368.304 5.469 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OCC 6152310 NMZXHUNRWHDUKA-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 6593482 KLARJFUQFAKILS-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 6747420 MOZYGYUILWXYHW-UHFFFAOYSA-N 353.849 5.338 0 40 FKAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810565 CPABZSGCBKCESE-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 6949772 DPZLKEQGHFLPGT-UHFFFAOYSA-N 366.892 5.587 0 40 FKAB CC[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12418609 LUSUTLKKIIMPHY-QGZVFWFLSA-N 350.506 5.959 0 40 FKAB CCc1cccc(CC)c1NC(=O)Cc1csc(-c2ccsc2)n1 12748376 QBUUCSYAIDQXCT-UHFFFAOYSA-N 356.516 5.178 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCSc2c(F)cccc21 12937426 RDWJNEFKMFHYBM-HNNXBMFYSA-N 370.276 5.028 0 40 FKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccc1 17309595 AKFDYGKIIDNHIF-GOSISDBHSA-N 373.525 5.511 0 40 FKAB Cc1ccccc1CNCc1cccc(NC(=O)c2ccccc2Cl)c1 17314694 VWJXYJWKRXICPO-UHFFFAOYSA-N 364.876 5.191 0 40 FKAB Cc1c(CN[C@H](Cc2ccsc2)c2nccs2)[nH]c2ccc(F)cc12 19565546 DNSVMLCESMURED-QGZVFWFLSA-N 371.506 5.207 0 40 FKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccco3)Cc3ccc(C)o3)oc2c1 28231956 NCLIYADHLHAOEN-UHFFFAOYSA-N 363.413 5.387 0 40 FKAB O=C(OCc1cccc(F)c1)c1ccc(COc2ccc(Cl)cc2)o1 28577986 YRDDNVWYGFPUMF-UHFFFAOYSA-N 360.768 5.008 0 40 FKAB CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCNC2)c(Cl)c1 42771143 JZEGCHZJZQHBCY-QGZVFWFLSA-N 357.925 5.434 0 40 FKAB CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085381 MNMOANXTIQPQIQ-UHFFFAOYSA-N 373.319 5.802 0 40 FKAB Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OCC(F)(F)F)c1 58407657 UHBUDWBIQLEYFU-UHFFFAOYSA-N 367.411 5.091 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351386 UPMZEOIXPUKIMU-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB Nc1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 70462183 KJQDATXSIWRHOG-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cc(C)ccc2C)cs1 72289886 FAEWESHCLRHUKG-GOSISDBHSA-N 350.487 5.308 0 40 FKAB O=C(CCc1cccc(Br)c1)c1c(Cl)cccc1Cl 85651937 PUIPEGPHPRKXQH-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 101376854 XGLKDUGOKWXBRC-VGSWGCGISA-N 371.436 5.162 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105363486 GFPXAFZFUGVACR-AKWHDMJJSA-N 357.494 5.269 0 40 FKAB biogenic COc1cc(C)c([C@H](C)NC(=O)CCc2ccccc2Cl)cc1C(C)C 223358343 IGCHLOMAVCTSDB-INIZCTEOSA-N 373.924 5.590 0 40 FKAB Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)oc1ccccc12 223397759 HISMPPYUIVGKDJ-UHFFFAOYSA-N 361.466 5.766 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1(c2ccccc2)CCCC1 224735562 GMWPLQAVKWSIPV-HXUWFJFHSA-N 363.501 5.225 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966519 QFSHSDFONGSHEE-HXUWFJFHSA-N 372.896 5.126 0 40 FKAB CCc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225295850 FBHCXIGDGIVOKW-UHFFFAOYSA-N 364.967 5.122 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ccccc12 225841529 SSRYHDZBOYSNLY-JOCHJYFZSA-N 357.494 5.408 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C)n1 225867043 BDCBYFKODUAJJY-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)oc12 408570982 ZZZLCTPRHUPMRT-UHFFFAOYSA-N 373.408 5.794 0 40 FKAB CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(C)=O)C1 1547139852 CRRKVZVYZQXICQ-BLTUZGSGSA-N 358.522 5.086 0 40 FKAB Cc1ccc(C)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 853534 PGSCTUVXMDBBLB-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB COc1cc(-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)ccc1O 906510 NZWFVBIEMLXOPK-UHFFFAOYSA-N 367.493 5.342 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccccc1C 948598 YYKQINFZARYTEW-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB c1ccc(-c2cnc(-c3cccc(-c4ncc(-c5ccccc5)o4)n3)o2)cc1 1512712 GKHWEKTVARHAFE-UHFFFAOYSA-N 365.392 5.726 0 40 FKAB O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@@H]1c1ccccc1 1585450 DQVQNFUWHJDKHJ-HSZRJFAPSA-N 355.481 5.572 0 40 FKAB O=C(OCCN1CCCC12CCCCC2)[C@@H](c1ccccc1)[C@@H]1C=CCC1 1641380 DMBOPNLNZCYIRI-YADHBBJMSA-N 367.533 5.078 0 40 FKAB CCCCSc1cc(C(=O)OCC)c2cc(Cl)cc(Cl)c2n1 1718230 YEQXRUITUBXMKF-UHFFFAOYSA-N 358.290 5.611 0 40 FKAB Cc1ccc(Nc2c(Cl)c(Cl)nc(C(F)(F)F)c2Cl)cc1 2191504 AAFLDTULUOZVRP-UHFFFAOYSA-N 355.574 6.113 0 40 FKAB Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2521564 SPOPSCCFZQFGDL-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)cc1 2961523 UXRVHQWTVPFTSE-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB O=c1oc2ccccc2cc1-c1nc(-c2ccc3ccccc3c2)cs1 2964160 XXTDNRLTCFXVDP-UHFFFAOYSA-N 355.418 5.737 0 40 FKAB COc1ccc(Cl)cc1C(=O)Nc1nc2c(ccc3ccccc32)s1 3219703 ZVSRAQULLZXRMY-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)oc1ccccc12 3661527 BFFMWACAGMMMOX-UHFFFAOYSA-N 373.452 6.144 0 40 FKAB Clc1ccc(C2N=C(c3ccccc3)SC(c3ccccc3)=N2)cc1 4060219 CYOQTUQVIWACQG-UHFFFAOYSA-N 362.885 5.979 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccnc2)N3)C1 4122633 NFVCBBGNDMXPBY-SUMWQHHRSA-N 355.507 5.113 0 40 FKAB O=C(Cc1ccc(Br)cc1)n1c2c(c3ccccc31)CCCC2 4524723 OKZXOIDZLOWQDV-UHFFFAOYSA-N 368.274 5.166 0 40 FKAB CCCCCC1CCC(C(=O)OC2CCC(c3ccccc3)CC2)CC1 4578423 MQGSQWPVBRYNPK-UHFFFAOYSA-N 356.550 6.643 0 40 FKAB COc1ccc(Nc2nc(CSc3nc4ccccc4o3)cs2)cc1 5628581 HPMFYAZQBLDYEV-UHFFFAOYSA-N 369.471 5.329 0 40 FKAB COc1ccc2c(c1)c(C(=O)Nc1nccs1)c(C)n2C1CCCCC1 6785721 GIVLQIONJQMGHJ-UHFFFAOYSA-N 369.490 5.172 0 40 FKAB Cc1[nH]c(SCc2cc(-c3ccccc3)on2)nc1Cc1ccccc1 7246214 WEGFGTLYZHBCFA-UHFFFAOYSA-N 361.470 5.256 0 40 FKAB Cc1cc(C)cc(Nc2c3c4c(cccc4[nH]c2=O)C(=O)c2ccccc2-3)c1 8818322 RIWSQWWHFOABAR-UHFFFAOYSA-N 366.420 5.100 0 40 FKAB biogenic CCC[C@H](C(=O)N(c1ccccc1)c1nc(C)cs1)c1ccccc1 9166114 KCIQLHSGVZFMNP-IBGZPJMESA-N 350.487 5.700 0 40 FKAB Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 10111749 RKXLTBZSFPQZHZ-KRWDZBQOSA-N 355.547 5.403 0 40 FKAB Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2ccccc2)c1Cl 10311129 SWSUYHBRQSHNTJ-INIZCTEOSA-N 363.288 5.077 0 40 FKAB CCNC(=O)/C=C(C)/C=C\C=C(C)\C=C/c1c(C)cc(OC)c(C)c1C 11681412 IYIYMCASGKQOCZ-OZEFDMRKSA-N 353.506 5.219 0 40 FKAB Cc1csc(N(C(=O)/C=C/c2cccc3ccccc23)c2ccccc2)n1 12482678 BNMMQTIGRSRGPL-CCEZHUSRSA-N 370.477 5.983 0 40 FKAB CC[C@H](C)c1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12553336 XOFXTHHQPUGRQH-WCQYABFASA-N 355.507 5.288 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Cl 13689146 BTESUYIYUFPSAS-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 13992578 UNCDRGDZJMRHOJ-JTQLQIEISA-N 358.652 5.361 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1OCc1ccccc1 14035518 OPQOVRDWRTVJER-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB COc1ccc(Cc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 16740586 WXJKVUAIMAHVQF-UHFFFAOYSA-N 362.860 5.337 0 40 FKAB Cc1noc([C@@H](C)Sc2ncc(-c3ccccc3)n2-c2ccccc2)n1 22831338 SQXZFPFCBSWOIY-CQSZACIVSA-N 362.458 5.084 0 40 FKAB COCc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)oc2ccccc12 24585002 ZHIZHMGQFBATCR-AWEZNQCLSA-N 367.470 5.110 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3cccs3)n2c1 27991636 NBTNQKRSCCFHNE-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1sc2ccccc2c1Cl 32972073 BRHLDTBNJNOJHZ-VIFPVBQESA-N 361.816 5.358 0 40 FKAB C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(COCc2ccco2)c1 47603187 HSCAVEUEWBWKED-OAHLLOKOSA-N 370.474 5.283 0 40 FKAB COc1ccc(C2=N[C@H](c3ccccc3)N=C(c3ccccc3)S2)cc1 59488710 LDAFIGLPLZMHOG-HXUWFJFHSA-N 358.466 5.334 0 40 FKAB CCc1nc2cc(NC(=O)c3ccc(-c4ccccc4F)o3)ccc2o1 65605871 RTZQIHRNDPPDHW-UHFFFAOYSA-N 350.349 5.042 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc3c(c2)CCC3)s1 69382749 FTPDJZVYCAVHAA-UHFFFAOYSA-N 366.486 5.373 0 40 FKAB CC(C)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 102202387 NKXYVHKZKRBYBA-FXAWDEMLSA-N 372.921 5.398 0 40 FKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 219732867 GOWNVCASYNHVNO-UHFFFAOYSA-N 357.759 5.398 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 222958903 CLVPSNGDPDOPDX-ZWKOTPCHSA-N 373.496 5.363 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223492400 JUPIYJMMPUQLKS-FPOVZHCZSA-N 353.506 5.264 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1cccc(Cl)c1 224143668 IFXDFZLCRCSBFJ-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)c(Cl)c1 225677807 MIDJRUMGNQZBGS-QGZVFWFLSA-N 374.937 5.546 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(Cl)c2)C(C)C)c(C)c1 225764211 ZRBHHSCJNDMTKK-IBGZPJMESA-N 360.954 5.949 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c2ccccc12 225837112 SLBNGPGBLLDDIE-QFIPXVFZSA-N 355.478 5.162 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)cc1N 226303435 DZFJALIEQOPREH-UHFFFAOYSA-N 374.528 5.606 0 40 FKAB Fc1ccc(COc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 409190234 QHKCMOPUTKLQFF-UHFFFAOYSA-N 369.848 6.335 0 40 FKAB Nc1c2c(nc3oc(-c4ccccc4)cc13)C[C@@H](c1ccc(F)cc1)CC2=O 1548338312 GOSNUHNLRRPENG-OAHLLOKOSA-N 372.399 5.129 0 40 FKAB Cc1nc(Oc2cccc3ccccc23)c2c3c(sc2n1)C[C@@H](C)CC3 710282 URDGJHJNABWEOM-ZDUSSCGKSA-N 360.482 6.070 0 40 FKAB O=C(NCc1ccc(Cl)cc1)c1cc2cc(C(F)(F)F)ccc2s1 1390458 CVYSCWBLCQHUOA-UHFFFAOYSA-N 369.795 5.504 0 40 FKAB CCC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 2079311 HCVUKSKARIKJNZ-UHFFFAOYSA-N 373.301 5.449 0 40 FKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)cc(C)c1)CO3 2444591 RHNZONMOEQDGKK-UHFFFAOYSA-N 363.457 5.027 0 40 FKAB C[C@H]1CCc2c(C(=O)Nc3nc(-c4ccccc4)cs3)csc2C1 3221605 SBHGCZPYTMYDHF-LBPRGKRZSA-N 354.500 5.249 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 3247939 MMBFYACQPPBGSW-MRXNPFEDSA-N 367.489 5.293 0 40 FKAB CSc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(C)c2)cc1 4735177 VXOQPXZCXBDXJV-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NC(C)C)c1Cc1ccccc1 5245126 XCQKTCYHVQUEBR-UHFFFAOYSA-N 370.500 5.424 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccn2C)N3)C1 6273023 NBOMMDQGQCGHSJ-SJCJKPOMSA-N 357.523 5.057 0 40 FKAB CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)CCCC)c2)c1 6396946 GNEDMWJXPPUYOU-UHFFFAOYSA-N 368.477 5.247 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6635100 BIUFGOBTOBWYQH-UHFFFAOYSA-N 369.848 5.632 0 40 FKAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 7735787 FKWDEAXFXYHEFQ-MRXNPFEDSA-N 361.470 5.440 0 40 FKAB CC(C)OCc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 7781012 ZIQWBDWVUXSSGE-UHFFFAOYSA-N 369.486 5.109 0 40 FKAB CC(C)Oc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 10472921 QSKMRDYTGCOOMI-UHFFFAOYSA-N 361.441 5.305 0 40 FKAB CC(C)Oc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 13717045 GQBAEKPNQYMSRY-UHFFFAOYSA-N 359.469 5.635 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(Cl)c3)n2)cc1 14258038 UCHUAXYWIBEINC-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC(c1ccccc1)c1ccccc1 20456638 QMBQZPQXTIKCDR-QFIPXVFZSA-N 373.496 5.367 0 40 FKAB CCOc1ccc(CCC(=O)Nc2c(CC)cccc2CC)cc1OCC 22523222 PCXPSOWGLCVLRY-UHFFFAOYSA-N 369.505 5.180 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl 23411032 WBJUIXLFDGHICR-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CCCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 30830600 FHZSXPXZNWONFK-UHFFFAOYSA-N 354.475 5.496 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)c(C)c1 33298151 PWNFHIDVQFITLC-UHFFFAOYSA-N 365.433 5.207 0 40 FKAB CCCC(=O)c1cn(CCCOc2ccc(Cl)c(C)c2)c2ccccc12 33729160 DHJSCOCGEOIWHC-UHFFFAOYSA-N 369.892 6.055 0 40 FKAB COc1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cccc(C)n23)c1 35616527 IYEFQZNDDUCVBP-UHFFFAOYSA-N 372.472 5.128 0 40 FKAB CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085375 YNQAYPIEJYIJAD-UHFFFAOYSA-N 359.292 5.414 0 40 FKAB CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccccc1 44900474 NLGAWDKGKISCTM-WLUIYZDRSA-N 371.480 5.503 0 40 FKAB Cc1cc2oc(=O)cc(CN3CC=C(c4ccccc4)CC3)c2cc1Cl 58159168 SBUIHDACWXQJPN-UHFFFAOYSA-N 365.860 5.044 0 40 FKAB CCCCCn1c(SCc2ccccc2F)nc2ccsc2c1=O 67259665 YBZJDELSZMRXRI-UHFFFAOYSA-N 362.495 5.080 0 40 FKAB CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215756 BUVMTCBAXYHGOY-IBGZPJMESA-N 373.541 5.313 0 40 FKAB CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1 100241771 IYKWPMYHASDTRV-UHFFFAOYSA-N 369.461 5.376 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 102855405 VVBNHYBXBDZDOR-ORAYPTAESA-N 360.548 5.221 0 40 FKAB CC1=C(C)[C@H](SCc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 199414381 PIZGHKHKHILCHF-SBUREZEXSA-N 365.542 5.446 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219316392 MWDBMBUQXFVVJZ-JOCHJYFZSA-N 373.452 5.022 0 40 FKAB O=C(CCSCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 224278157 SHPSTMMUOFPQII-UHFFFAOYSA-N 361.466 5.848 0 40 FKAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 224976579 RRNMGGYFOJEZJM-LJQANCHMSA-N 371.524 6.071 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl 225518576 BICNIBFGEXPGCR-UHFFFAOYSA-N 361.844 5.328 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(Cl)ccc1C 1268788 MBMAWGPWVBLIIS-GQCTYLIASA-N 370.663 5.616 0 40 FKAB Cc1ccc(NC2=C[C@H](c3cccs3)N(c3ccc(C)cc3)C2=O)cc1 1426243 UOMIUNLTGKQGQB-HXUWFJFHSA-N 360.482 5.449 0 40 FKAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1480347 PIYCMGWZBJSWFL-OAHLLOKOSA-N 364.876 5.570 0 40 FKAB CCN(CC)CCCNc1ccc(-c2cc(OC)cc3cccnc23)cc1 1596784 YEVNALHWCSFXNF-UHFFFAOYSA-N 363.505 5.054 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCCC2 2095444 TZANUDCBRILTQR-UHFFFAOYSA-N 371.502 5.145 0 40 FKAB COc1ccc(CNCC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 2101849 DPBZJXPNBZVODK-XMMPIXPASA-N 367.533 5.010 0 40 FKAB biogenic CCOc1ccc(-c2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1 2210348 YVILLAUFBGOYNZ-UHFFFAOYSA-N 371.440 5.448 0 40 FKAB COc1ccc(N[C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)c(OC)c1 2667848 AUVKFIATRQQEIK-QHCPKHFHSA-N 373.456 5.090 0 40 FKAB Fc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4F)cc2-3)cc1 2688444 VEVBLCFIQZJNSA-UHFFFAOYSA-N 371.390 5.530 0 40 FKAB CN(c1ccccc1)P1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3216968 FBTSRCSPSIHXON-UHFFFAOYSA-N 373.392 6.428 0 40 FKAB O=C(Nc1nccs1)c1oc2ccccc2c1CSC1CCCCC1 3351828 BIGQUHPSIYDJOH-UHFFFAOYSA-N 372.515 5.708 0 40 FKAB Cc1ccc(C(c2ccc(Br)cc2)c2ccc(C)s2)s1 3848492 DFFHVASRWBIQPK-UHFFFAOYSA-N 363.345 6.369 0 40 FKAB biogenic Fc1ccc(/C=C/c2nc3ccccc3nc2Sc2ccccc2)cc1 4309754 GNWOSTDIJJXPHZ-NTCAYCPXSA-N 358.441 6.091 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(Cl)[nH]c4ccccc24)N3)C1 4571694 RQLYAEVVVRSYEF-VVVCHXIZSA-N 371.893 5.437 0 40 FKAB CCCC(=O)Nc1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl 5451773 VZFSTFYNSYPNML-UHFFFAOYSA-N 356.809 5.077 0 40 FKAB CCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 6272976 CHXUEVDZSGDHJS-UHFFFAOYSA-N 357.866 5.556 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1 6652127 IHDGDMLFPOVYBS-CABCVRRESA-N 353.849 5.138 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(OCC(C)C)cc1 7996246 CARIQADGYIFJBY-UHFFFAOYSA-N 366.486 5.406 0 40 FKAB C[C@H](C(=O)Nc1ccc(O)cc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419066 PWFWNVNUKMCENP-LBPRGKRZSA-N 364.832 5.422 0 40 FKAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(C2CC2)nc2ccccc12 9460182 RSRGDJUTOPIKEQ-UHFFFAOYSA-N 371.465 5.488 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCC2)cc1 10333127 TUHNAVZATFZMHH-UHFFFAOYSA-N 372.468 5.327 0 40 FKAB O=C(NC1CC1)[C@@H](Sc1ccc2ccccc2c1)c1ccc(F)cc1 12254472 CJOSRCHOYDGKFD-FQEVSTJZSA-N 351.446 5.091 0 40 FKAB CCOc1ccc(Br)cc1C(=O)Nc1ccc2ccccc2c1 13627339 GYDMTKFMHJAMAC-UHFFFAOYSA-N 370.246 5.253 0 40 FKAB Cc1ccccc1C(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835504 HKSDTCOTPZVADJ-OAQYLSRUSA-N 360.482 5.399 0 40 FKAB CCCCOc1ccc(NC(=O)c2cccc(Cl)c2)c2cccnc12 15841141 BNYFMZCLRSWJFV-UHFFFAOYSA-N 354.837 5.319 0 40 FKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccc(C)c1 16349357 QNRRQODDGJBBOU-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB CCc1sc2ncnc(Cl)c2c1-c1ccc(Br)cc1 19961300 WHRKBHIFNAJWPF-UHFFFAOYSA-N 353.672 5.337 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20036894 DMGXWXJAUNOFCS-FCHUYYIVSA-N 369.505 5.065 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 20488208 JWPUZORYOWRNSF-RUZDIDTESA-N 373.496 5.205 0 40 FKAB Cc1cccn2c(NC(=O)c3ccccc3)c(-c3ccc(Cl)cc3)nc12 26687879 GOWSDXPRJYDBMF-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1N1CCCCC1 29894126 VNOPDZFZMMQAKR-UHFFFAOYSA-N 373.500 5.023 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 30859481 IJKKGIMSKCPTDA-OAHLLOKOSA-N 357.519 5.502 0 40 FKAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1OC 32114759 MTFZFVAFUAUIGJ-UHFFFAOYSA-N 374.868 5.038 0 40 FKAB CCOc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 32119691 KFIUFEFHZJTTIE-UHFFFAOYSA-N 357.453 5.341 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 40945049 MZJYPKLWJQZGOL-QGZVFWFLSA-N 353.506 5.733 0 40 FKAB CCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 41155101 RINWTUVTPYZBIZ-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSCc1ccccc1 218998846 JGOANGCCWNJONR-IBGZPJMESA-N 369.530 5.037 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222903775 CTNCQMHPFMJPNP-GJZGRUSLSA-N 373.949 5.577 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224364452 PEVPAJLBOVGOJD-KRWDZBQOSA-N 351.490 5.314 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1C 225378795 WXCFLSDQCKVHGM-LJQANCHMSA-N 364.316 5.810 0 40 FKAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480095 LTXLRJJKPQPCDU-UHFFFAOYSA-N 362.429 5.372 0 40 FKAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1Cl 225697353 WTYYCIJQQTVLFN-AWEZNQCLSA-N 361.869 5.186 0 40 FKAB Clc1cccc(CN[C@H]2CC[C@H](NCc3cccc(Cl)c3)CC2)c1 242548438 LLOHHUTUYLQXSO-MXVIHJGJSA-N 363.332 5.184 0 40 FKAB Cc1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(C)n1C 408675804 BBJNECUCHNKEGG-UHFFFAOYSA-N 354.837 5.340 0 40 FKAB COc1cc(CNc2ccccc2C)ccc1OCc1cccc(Cl)c1 409119657 PXXDUFLWRBTLGY-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2)cc(C(C)(C)C)c1 630185 RZNPMSJRXHMNDD-UHFFFAOYSA-N 363.498 5.222 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1 682561 XAVCJRLMWROMGI-LLVKDONJSA-N 372.679 5.670 0 40 FKAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cl)cc1Cl 824812 DGWMQWUXZCACQX-UHFFFAOYSA-N 361.011 5.101 0 40 FKAB Nc1ccccc1S[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 1045337 RWQZUDUEDNKJJX-NRFANRHFSA-N 367.901 6.029 0 40 FKAB CC(=O)O[C@@H]1c2ccccc2N[C@@H](c2ccc(Br)cc2)C1(C)C 1445832 IDACFZAQMMOCEQ-ZWKOTPCHSA-N 374.278 5.246 0 40 FKAB CC(C)c1ccc(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(C(C)C)c1 2626646 AEICNKJGGIBNDQ-HNNXBMFYSA-N 354.446 5.312 0 40 FKAB c1coc(CSCCNc2nc(-c3cccs3)nc3ccccc23)c1 3342530 RAZYTLZOSRIIGA-UHFFFAOYSA-N 367.499 5.297 0 40 FKAB CC(C)(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655323 WPRYSTSHBHOZHF-UHFFFAOYSA-N 355.821 5.302 0 40 FKAB COc1ccccc1[C@@]1(C)CCc2oc3ccc(C)cc3c2-c2oc(C)cc21 3846786 MLLIWZVASHEDQP-RUZDIDTESA-N 372.464 6.570 0 40 FKAB biogenic CCn1c(SC/C=C/c2ccccc2)nnc1-c1c[nH]c2ccccc12 4138501 XGFQIZJWPOQWHK-DHZHZOJOSA-N 360.486 5.252 0 40 FKAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(Oc2ccccc2)cc1 4711089 LYOKVIYAXLNCKE-UHFFFAOYSA-N 356.425 5.381 0 40 FKAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3cccs3)C[C@@H]21 4715959 MLDXQVAJFXMTDN-XZSJUEPFSA-N 368.502 5.207 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2c(Cl)cccc2Cl)c1 7208924 CNVYVWLLQFBLOR-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 10338098 QVOKDXBGJZPJIB-UHFFFAOYSA-N 369.814 6.054 0 40 FKAB Cc1ccc(C)c(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)c1 15188462 WHYHZYCEYBJTMO-IZHYLOQSSA-N 370.521 6.114 0 40 FKAB COc1cc2c(cc1OC)[C@H]([C@@H](c1ccccc1)c1ccc(C)cc1)NCC2 19853631 DDGCLVTZEWOIMF-LOSJGSFVSA-N 373.496 5.031 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30863734 SCKNKLKBOQHGEI-PXNSSMCTSA-N 353.506 5.327 0 40 FKAB Cc1ccc(CSCc2ccc(-c3nc(-c4cccs4)no3)o2)cc1 33262372 BZZIGMQMKGHDGU-UHFFFAOYSA-N 368.483 5.800 0 40 FKAB CC(C)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215523 UQHAISRZXFJCTR-IBGZPJMESA-N 373.541 5.311 0 40 FKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1C1=NCCCC1 72215873 WQMHIUGQISWOHO-UHFFFAOYSA-N 351.450 5.128 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C1CCCC(O)=C1[C@H]2c1ccccc1 102580410 KPNUCXSOWCPAPZ-JOCHJYFZSA-N 355.441 5.530 0 40 FKAB CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21 200419950 GFSMUGLUDMWSGT-UHFFFAOYSA-N 353.380 5.822 0 40 FKAB Cc1cccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 219127699 FSNMAXHDJGCVSH-UHFFFAOYSA-N 357.497 5.266 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219545778 NRKLOCVYOMLDGJ-KRWDZBQOSA-N 353.462 5.031 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 222848997 XKTVNHAPWJWTFS-HZPDHXFCSA-N 373.924 5.591 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 223688875 CHRKIAGKXFFWLE-IBGZPJMESA-N 367.533 5.370 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 224516456 NQVNPDOJGCDIGM-QGZVFWFLSA-N 355.478 5.312 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CCc2ccccc2Cl)c2ccccc2O1 225169933 DRFFUIUMURFJBB-IBGZPJMESA-N 371.908 5.471 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2)c1 225698719 ZSLAIJHSNVWAEG-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225747803 XZOSRIRHUWJKJC-JOCHJYFZSA-N 363.542 5.652 0 40 FKAB Cc1ccc(C)c(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225842364 OLRPXBQNVLKFQU-UHFFFAOYSA-N 352.547 5.535 0 40 FKAB O=C1c2ccccc2CN1c1ccc2nc(-c3cccc(Cl)c3)oc2c1 226287015 JJXMGKXOHPXFLQ-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 227144658 ZEKDNHBJZWGCDR-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB Cc1cc(C)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 409188999 MJSDLFXVYMVPOM-LICLKQGHSA-N 357.862 5.506 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C)cc3)ccc21 2069582 GRZYXAPIWJPJAM-KRWDZBQOSA-N 372.468 5.529 0 40 FKAB CCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1OC 2240799 CPRDEKXBJZUNPC-UHFFFAOYSA-N 368.502 5.067 0 40 FKAB Cc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)c1 2423077 WTYZQTTZRWWTRX-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB CCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 2666381 YWLDPRNCSZQRDJ-GOSISDBHSA-N 361.489 5.137 0 40 FKAB CC[n+]1c(C)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21 3167980 UEGWBGGRUGSAEE-UHFFFAOYSA-N 370.501 5.523 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc(Cl)s1 3222476 ZURDUEZZSOTQBQ-UHFFFAOYSA-N 360.312 5.640 0 40 FKAB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 3330039 HDBBNCONAJXSLL-QFIPXVFZSA-N 368.480 5.347 0 40 FKAB CC(=O)Nc1cc(N)c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 3844630 DQPFZYHALGYMAH-QUMQEAAQSA-N 354.453 5.568 0 40 FKAB CC(C)c1ccc(O[P@](C)(=O)Nc2ccc(Br)cc2)cc1 4066059 FQUNNMDZJASWOM-NRFANRHFSA-N 368.211 5.886 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCCCC1 4076716 DLRSAQHAYAHVNA-UHFFFAOYSA-N 361.319 5.697 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1ccc(O)cc1)c1c(C)[nH]c2ccccc12 4276296 HBNWCZUAQGHKRF-UHFFFAOYSA-N 366.464 6.152 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 4657373 GLHBEILTOBXCIA-OQOKOFKUSA-N 369.549 5.218 0 40 FKAB C[C@H](CN1CCCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 4664828 BFOXFBPASZZZAD-QGZVFWFLSA-N 359.554 5.313 0 40 FKAB Cc1sc2nc(C3CCCCC3)nc(SCc3cccnc3)c2c1C 4848098 XRIURDZKCNMCFU-UHFFFAOYSA-N 369.559 6.043 0 40 FKAB CC1(C)C2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@]2(C)Cc2cnoc21 5231761 AXLOCHLTNQDFFS-QGIQENSZSA-N 355.522 5.038 0 40 FKAB biogenic CCSc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 5574839 DVEYNYHBMCVCRP-UHFFFAOYSA-N 373.525 5.716 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1nccc(/C=C/c2ccc(Cl)cc2)n1 5807602 DLTXCRZUQNDKJW-RTGRKSDTSA-N 372.944 5.223 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1ccc(C2SCCCS2)cc1 7132972 GFCYXRBFCJBQFY-UHFFFAOYSA-N 367.898 5.600 0 40 FKAB C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 7524358 BEDLAMJJTIHYOI-SCUMNGBJSA-N 353.481 5.780 0 40 FKAB O=C(NCCC1=CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 7699247 YKCXKWBWHDEDDZ-UHFFFAOYSA-N 369.892 5.539 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1 8902992 YLFGHTAMNDMLSM-UHFFFAOYSA-N 357.413 5.266 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(F)c(F)cc1Cl 9376841 WVJGENPGFWWRPL-UHFFFAOYSA-N 368.767 5.133 0 40 FKAB CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1 9594381 YESOISDXQUKEGS-GOSISDBHSA-N 369.921 5.711 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12892111 QTIQUEYHVCNJBJ-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1OCc1ccccc1 13687053 JEKOSBFNKHUZML-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)o1 16434548 IQIDXWIAODFCTJ-SUMWQHHRSA-N 356.853 5.343 0 40 FKAB COc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1 16739862 ICZZHKFEFMIYBN-VHXPQNKSSA-N 372.493 5.755 0 40 FKAB Cc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1C 16841016 IZZWLSKFHADVJM-UHFFFAOYSA-N 372.877 5.343 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2F)c(C(C)(C)C)c1 19736645 JXMGYHKKBJWARS-UHFFFAOYSA-N 372.484 5.020 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1ccc(Sc2ccccn2)c(Cl)c1 20428779 IPVBKDMTIOJVIB-UHFFFAOYSA-N 372.852 5.207 0 40 FKAB Fc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1 22076611 RKZCBLYSVQEYOJ-UHFFFAOYSA-N 374.253 5.181 0 40 FKAB CC(C)=CC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 23154342 BQOFSJCMWDMXPL-QGZVFWFLSA-N 352.865 5.036 0 40 FKAB Brc1ccc(N2c3ccccc3Sc3ccccc32)cc1 32297484 KOLVTMISRQOMPW-UHFFFAOYSA-N 354.272 6.384 0 40 FKAB CC(C)c1ccc(NC(=S)NCc2ccccc2CN(C)C(C)C)cc1 36847595 IFYSXRPGRFFXFM-UHFFFAOYSA-N 369.578 5.137 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)C(F)(F)F 57316768 COTGZKNZZGQXQZ-UHFFFAOYSA-N 356.303 5.149 0 40 FKAB O=C(N1CCc2ccccc2C1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58289451 LAZLYAINGPCFNM-ADXLDGDMSA-N 371.524 5.110 0 40 FKAB FC(F)(F)c1ccc(OC(Cl)(Cl)Cl)c(Br)c1 95215640 LXWPGQJOUXYNEA-UHFFFAOYSA-N 358.368 5.174 0 40 FKAB Cl/C(=C/c1cccc(Br)c1)c1nc(-c2cccs2)no1 96891494 SALHFMSOVJHIGL-DHZHZOJOSA-N 367.655 5.298 0 40 FKAB CCc1ccc(-c2nc3ccc(NC(=O)c4ccccc4C)cc3o2)cc1 98086870 DZNITOGDLVTUPB-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@H](c2ccccc2)C1 100436124 CJMLTCWOOVFDEU-MHECFPHRSA-N 367.452 5.711 0 40 FKAB O=C(Nc1ccccc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 196385274 XGNUHWFLRRLBIQ-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1ccc2c3c(cccc13)CC2 216850800 VPBYVIGZZIQHFV-GFCCVEGCSA-N 351.833 5.092 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219304977 KESAUAPAJBJQSE-HXUWFJFHSA-N 367.533 5.252 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(OC2CCCC2)cc1 222798611 RZXDLCTVPAYXKN-UHFFFAOYSA-N 367.489 5.323 0 40 FKAB CC(C)(C)c1ccc(OCCNC(=S)Nc2ccc(Cl)cc2)cc1 223661178 QTCKIYHABQBBQR-UHFFFAOYSA-N 362.926 5.003 0 40 FKAB CCc1ccc(CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 224566042 JFYXJAKNTFREPO-UHFFFAOYSA-N 356.469 5.558 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225541050 ACIAHSIIWBVHBR-UHFFFAOYSA-N 365.517 5.851 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@H](C)C1 225665731 JLBUYDSHFOJCFT-SBUREZEXSA-N 373.537 5.630 0 40 FKAB CCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCCC1 225710918 LNUZNOGKKDKQCZ-UHFFFAOYSA-N 367.489 5.334 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)c(C)c1 225711956 HZSLNVRGRPGWDF-HXUWFJFHSA-N 356.535 5.528 0 40 FKAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2Cl)cc1 225774296 UMSFEVLTQBBHOA-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 226763588 OGVHRQSJUUHGLQ-HWKANZROSA-N 355.652 5.189 0 40 FKAB CCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409175346 XPWBFASOAMIIPD-ALQCLRNSSA-N 374.528 5.513 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1cccc2cc(Cl)ccc12 1628202 DMLPGKLDZDRHLA-QFIPXVFZSA-N 361.957 6.209 0 40 FKAB Clc1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2245193 GTDNMHZIOCMPPR-UHFFFAOYSA-N 370.843 5.348 0 40 FKAB CCc1ccccc1OC(=O)c1ccccc1OCc1ccccc1Cl 3316173 KRZHVVCJOWUVLP-UHFFFAOYSA-N 366.844 5.701 0 40 FKAB CN(C)[C@H](CNc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 3401466 HAKTWRSIDQACHF-LJQANCHMSA-N 374.513 5.073 0 40 FKAB Clc1ccc(CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4059663 OHAVXIYQOXMHNF-UHFFFAOYSA-N 363.913 6.635 0 40 FKAB CCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 4874274 XGSDFAVMZCPJIQ-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)cc1C 5023205 NWTNGBQLWUQRQN-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB CCN(CC)C(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1 5478123 IBTIMVGJHZLNGC-OAQYLSRUSA-N 357.469 5.003 0 40 FKAB C[C@H](CC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 6260009 HHZRDPQAPORSHJ-LLVKDONJSA-N 352.659 5.235 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 6260063 YOIXQVUNTGUQPU-UHFFFAOYSA-N 368.658 5.142 0 40 FKAB Cc1sc2nc(/C(Cl)=C/c3ccc(F)cc3)nc(Cl)c2c1C 6605985 PDARAIHMRJDKCF-GHXNOFRVSA-N 353.249 5.838 0 40 FKAB C[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2 7524567 MXQPJKIVWVWEKC-SCUMNGBJSA-N 369.936 6.295 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1C 8007266 FMFXJFTUQVBNKL-UHFFFAOYSA-N 368.436 5.878 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 8497406 ATPRCESISZRRAJ-HNNXBMFYSA-N 357.759 5.155 0 40 FKAB Cc1ccsc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 9233396 ABMRPJVLTQOBRO-VGOFMYFVSA-N 367.854 5.086 0 40 FKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccnc1 10127427 SJGNIOXWUZRHMQ-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB CCOC(=O)/C=C(C)\C=C/C=C(C)/C=C\c1c(C)cc(OC)c(C)c1C 12503219 HQMNCQVAMBCHCO-OLSVHHFRSA-N 354.490 5.646 0 40 FKAB in-man CN(Cc1cccc(Cl)c1)C(=O)c1cc(C2CC2)nc2ccccc12 12796602 RIJMTKIXMYVAFR-UHFFFAOYSA-N 350.849 5.038 0 40 FKAB COc1ccc2o/c(=N\c3ccccc3)c(-c3nc4ccccc4[nH]3)cc2c1 13144031 QDQVUOBLVZZJMC-VHXPQNKSSA-N 367.408 5.217 0 40 FKAB COc1cc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)c(OC)cc1Cl 15859139 ZCEFCMGIYOLGBW-UHFFFAOYSA-N 369.852 5.175 0 40 FKAB CCc1ccc([C@H](NCc2cc(Br)cs2)C(C)C)cc1 20306510 JXOUQNKFYDXTMX-QGZVFWFLSA-N 352.341 5.560 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccccc1 22053537 RHLQILDSZCFXIJ-UHFFFAOYSA-N 357.335 5.096 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1NC1CCCCC1 22072583 GNHKIWCCZDTWSV-UHFFFAOYSA-N 364.276 5.385 0 40 FKAB Fc1ccc(COc2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1 22073731 XJUGTGSEUOMNTB-UHFFFAOYSA-N 365.492 5.319 0 40 FKAB CCc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 22258019 JEBWKQKPENDYLV-UHFFFAOYSA-N 365.860 5.734 0 40 FKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 26456423 HORBTLXJBFZMDW-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)Nc1ccccc1F 32869822 VZEBJARIPLASAR-UHFFFAOYSA-N 366.436 5.432 0 40 FKAB Cc1nc(C)c(C(=O)Nc2sccc2-c2nc3ccccc3s2)s1 38493082 CNNWBBKOSYMKGC-UHFFFAOYSA-N 371.512 5.350 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 38771842 FKENDZCWPDTSKT-GHTZIAJQSA-N 367.533 5.636 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCCCC2)cc1 38859997 HGPYWNJGSAHIDX-UHFFFAOYSA-N 364.533 5.747 0 40 FKAB SC1=N[C@H](c2ccc(OCc3ccccc3)cc2)C=C(c2ccccc2)N1 53992976 VKTMXAQAFFKVFQ-QFIPXVFZSA-N 372.493 5.237 0 40 FKAB CC[C@H](C(=O)N(CCc1cccs1)Cc1ccoc1)c1ccccc1 90612315 SMXZZIVBQBBJPZ-FQEVSTJZSA-N 353.487 5.106 0 40 FKAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118933753 OTKXVHPLBZXHOI-KOORYGTMSA-N 358.522 5.411 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219329945 MAGWBRDMOYUCRT-QFIPXVFZSA-N 367.489 5.421 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(C)c1 223241291 YJDWZKRQHVTFRX-APWZRJJASA-N 357.519 5.060 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 224979211 XZYPOVCPPNAFBI-UHFFFAOYSA-N 363.460 6.202 0 40 FKAB CC(C)c1ccccc1O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225088528 MAAZNAFFBAEPOZ-QGZVFWFLSA-N 353.245 5.192 0 40 FKAB Cc1ccccc1CNC(=S)c1cccc(OCc2ccc(F)cc2)c1 408577863 VAPVTTIXZDFYFO-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@@H](c2ccc(Cl)cc2)OC1=O 718774 ZMAXBBYQEMBHRA-GOSISDBHSA-N 370.832 5.095 0 40 FKAB CCN(CC)C(=O)N1c2ccccc2C[C@H](N(CC)CC)c2ccccc21 1245579 DUXONKOEFSZBRM-QFIPXVFZSA-N 365.521 5.226 0 40 FKAB ClC1=C(Cl)C(Cl)=C(Cl)C1=Cc1ccc(Cl)cc1Cl 1628210 HDNRJBPQWIJEIW-UHFFFAOYSA-N 360.882 6.769 0 40 FKAB CCCCN(CCCC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc12 1706304 MOCVRJMWAFRPGX-HSZRJFAPSA-N 371.565 5.810 0 40 FKAB O=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 2075783 HNWFRGLUHHSCPM-UHFFFAOYSA-N 357.840 6.277 0 40 FKAB c1ccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 2229842 MRXKOMWBHYKSLS-UHFFFAOYSA-N 368.465 5.237 0 40 FKAB Cc1ccc(NC(=O)c2ccc(Nc3nnc(C)c4ccccc34)cc2)cc1 2282630 GDETYDKPMOYHML-UHFFFAOYSA-N 368.440 5.243 0 40 FKAB CC[C@@H](C)n1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2405323 VKUUGJYYWIBNDZ-LLVKDONJSA-N 371.271 5.924 0 40 FKAB CCCCN(CCCC)CCCNc1ncnc2c1[nH]c1ccc(C)cc12 2412900 FJNZMLDYYNZMQE-UHFFFAOYSA-N 367.541 5.124 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)c1c(Cl)cccc1Cl 3245425 RVNSPYXVCPBQOL-UHFFFAOYSA-N 364.253 5.474 0 40 FKAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(C(C)C)cc1 3895925 GYWKZNVXJDIVBU-BGKQSGSASA-N 372.553 5.106 0 40 FKAB CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4162507 ZPDHXPMZFMGHIO-UHFFFAOYSA-N 368.408 5.199 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 4517386 MDWRUFFIJXFKKJ-UHFFFAOYSA-N 366.920 5.499 0 40 FKAB C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4694579 MARKNSVDHIUVIE-VAJUMPROSA-N 355.566 5.314 0 40 FKAB C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1cc2ccccc2o1 6879381 BIMLEPXGAAKYQS-KRWDZBQOSA-N 356.421 5.947 0 40 FKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCC3)o2)cc1 7071009 ZXOUGUOCNUZYLQ-UHFFFAOYSA-N 360.457 5.380 0 40 FKAB Nc1c(C(=O)c2ccccc2)sc2nc(C3CC3)cc(-c3ccncc3)c12 8643003 PMIDZOUZODMSTF-UHFFFAOYSA-N 371.465 5.049 0 40 FKAB O=C(Nc1ccccc1Cl)c1csc2nc(-c3ccc(F)cc3)cn12 11902585 QIPHHSVALXMEAO-UHFFFAOYSA-N 371.824 5.108 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCCC4 12970716 BWKQCWGIWUNTHF-INIZCTEOSA-N 361.554 6.665 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1CCc1ccccc1 13688383 BEILSYVCRBLPPH-UHFFFAOYSA-N 370.279 6.031 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14268928 PYCQJDVAWPJFKM-KAMPRCONSA-N 354.881 5.371 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1cccc(C)c1 16349284 BEIOWPOQOATLEZ-UHFFFAOYSA-N 353.506 5.395 0 40 FKAB c1ccc(C(SC2=NCCS2)(c2ccccc2)c2ccccc2)cc1 16477633 JKNGMQKMUJYFFK-UHFFFAOYSA-N 361.535 5.815 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccc(Cl)cc4)nccn3n2)cc1 16842553 MIICBWRFAMZPAR-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 20040655 NGCASULSWWPTEU-QFIPXVFZSA-N 361.510 5.860 0 40 FKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1C 20395206 SAEVJEWVMSMTDA-UHFFFAOYSA-N 371.362 5.625 0 40 FKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Cl 22245789 JYFWIVIKZRLXFH-UHFFFAOYSA-N 361.829 5.240 0 40 FKAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccco1 26946325 WKSSXPAMLKSLTL-HXUWFJFHSA-N 371.889 5.072 0 40 FKAB O=C(c1csc(-c2ccccc2)n1)N1CCSc2ccc(Cl)cc21 32801985 OWKWLEMUCGUDPD-UHFFFAOYSA-N 372.902 5.216 0 40 FKAB Fc1ccccc1OCCN1CCCC[C@H]1c1nc2ccccc2s1 71793212 HRRWAYQWNKXJQD-KRWDZBQOSA-N 356.466 5.041 0 40 FKAB CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OC 106971105 AVPOLQXNTFJIEO-UHFFFAOYSA-N 360.668 5.666 0 40 FKAB Cc1nc(SC[C@H](O)c2ccccc2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107570541 QORSQJAPLHWXKH-DIZVHYTASA-N 370.562 5.323 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(C)c(C)c1 219006560 KHBJKYHIFPWOTD-RUZDIDTESA-N 371.524 5.970 0 40 FKAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)CCCC2 223082479 AXFJPSHICSLHPD-QHCPKHFHSA-N 373.496 5.365 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 223689167 AVKHUEYHILPUFM-SFHVURJKSA-N 357.881 5.081 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225736143 YWPNSJWYQXFCMJ-JOCHJYFZSA-N 361.526 5.486 0 40 FKAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 248041735 PFCVPDHSSAWHDG-FHLIZLRMSA-N 355.478 5.313 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(C)cc3)ccc21 408564167 SDPDDAZCSJKRGT-UHFFFAOYSA-N 374.509 5.854 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc3ccccc23)cc1 408580244 NGKHKVGEWOJQAA-UHFFFAOYSA-N 372.493 6.086 0 40 FKAB Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccco2)cc1 945473 HPSXXVNACVWLTA-HXUWFJFHSA-N 356.874 6.348 0 40 FKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2cccc(F)c2)n1 970932 XAPWBEYKUMSDDY-UHFFFAOYSA-N 372.808 5.453 0 40 FKAB O=C(COC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 1013251 LHOUMOVYSFTEHL-UHFFFAOYSA-N 362.450 5.019 0 40 FKAB Cc1nc(Oc2cccc(C(F)(F)F)c2)c2c3c(sc2n1)CCCC3 1061179 XTAZPBYJPXMNIA-UHFFFAOYSA-N 364.392 5.690 0 40 FKAB Cc1ccccc1NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C 1445574 NVXVTFFHRVUKQA-BCLKNIHHSA-N 353.465 5.477 0 40 FKAB O[C@H](c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 1665688 KBMSHLIYFNGBTH-RBUKOAKNSA-N 350.289 5.254 0 40 FKAB CCCCCCc1cc(C(=O)COc2cc(C)cc(C)c2)c(O)cc1O 1776875 VYJXBRVLPFQCMH-UHFFFAOYSA-N 356.462 5.099 0 40 FKAB O=C(O)CCCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2193145 IINWDCCKKXRSHV-QGZVFWFLSA-N 364.919 5.686 0 40 FKAB CCN(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 2265939 YQZJWOZCQJLDGZ-ZEQRLZLVSA-N 365.561 5.888 0 40 FKAB Cc1sc(NC(=O)c2cc3ccccc3o2)nc1-c1cccc(Cl)c1 3330263 NOHQWGGBEDFRQY-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccc(OC)cc2)(CCC(C)C)CCO1 4073130 PGHBRKUZBUZSHJ-PKTZIBPZSA-N 361.570 5.577 0 40 FKAB biogenic c1ccc(CSc2nc(NC3CCCCC3)c3sccc3n2)cc1 5773897 ZFBPQZSVPPZKBH-UHFFFAOYSA-N 355.532 5.728 0 40 FKAB O=C(NCCOc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 5874695 AFDGXNJDWMVDLE-UHFFFAOYSA-N 367.448 5.316 0 40 FKAB COc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)c(OC)c1 5894574 CJAGMPNGNGVYAW-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB aggregator CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(C)cc32)cc1 6600814 HGCKIWRGNKLZNB-UHFFFAOYSA-N 369.468 5.136 0 40 FKAB C[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 7988880 PUFBJUUNYZQNHV-SFHVURJKSA-N 367.452 5.030 0 40 FKAB CC(C)(C)c1ccc(Oc2cccc(/C=C/c3ccnc4ncnn34)c2)cc1 8925718 CNPLRLBPZMFCMQ-JXMROGBWSA-N 370.456 5.385 0 40 FKAB CC(C)c1ccc(Cn2c(-c3ccc(C(C)C)cc3)nc3ccccc32)cc1 12401736 QMOHHWDLZNVTJO-UHFFFAOYSA-N 368.524 6.998 0 40 FKAB Cc1cc(C)c2cc(CNc3cc(-c4ccccc4)ccc3O)c(=O)[nH]c2c1 13561629 XCISDBIXVVSJJP-UHFFFAOYSA-N 370.452 5.130 0 40 FKAB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 20481155 IOBXNODOXWMQRI-QGZVFWFLSA-N 366.288 5.276 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312081 DLQGYPSYSWXGMC-QGZVFWFLSA-N 351.368 5.118 0 40 FKAB Cc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 21786837 ORVNJMBAZZABHP-UHFFFAOYSA-N 365.889 5.932 0 40 FKAB Cc1nn2c(NC3CCCC3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799286 CKCSVGTUNXFCPT-UHFFFAOYSA-N 366.484 5.496 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 30854702 OAYNKQVHRRRZEX-HNNXBMFYSA-N 351.471 5.358 0 40 FKAB CCCC[C@H](CC)COC(=O)CSCC(=O)OC[C@H](CC)CCCC 31332713 KYWZILPIDASSGE-HDICACEKSA-N 374.587 5.239 0 40 FKAB O=C(Nc1cccnc1Oc1ccccc1)c1cc(Cl)ccc1Cl 36394940 DHBRTRVNYJHPEC-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB Cc1c(NC(=O)c2ccc(Oc3cccnc3)cc2)cccc1OC(F)F 60365302 KUXLDUITVYSTJW-UHFFFAOYSA-N 370.355 5.036 0 40 FKAB Cc1nc2ccc(C(=O)Nc3ccc(NC4CCCCC4)cc3)cc2nc1C 65478413 CKGKMJMJTVFYJN-UHFFFAOYSA-N 374.488 5.244 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(Cl)c3)C2=C(O)C1 100717620 WDIGMAZCXDMTNN-HXUWFJFHSA-N 352.865 6.211 0 40 FKAB C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 101376852 XGLKDUGOKWXBRC-JTSKRJEESA-N 371.436 5.162 0 40 FKAB O=C1[C@H]2CC[C@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 137549824 COXAAIGTNDLOER-BPUTZDHNSA-N 374.267 5.067 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223466085 MIVFLHROUMALBM-KNQAVFIVSA-N 353.506 5.264 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 225328701 JUGNQICCKFXPDX-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 250208531 KLDWEGODAHJCRI-XRJOUIEWSA-N 353.849 5.335 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)oc12 408708826 UCRMVFSOLQWMTN-UHFFFAOYSA-N 369.726 5.366 0 40 FKAB CCOc1cc(C)c(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1C(C)C 409010413 KJGAHQVRNQYQAU-BGARDKSCSA-N 361.507 5.352 0 40 FKAB CC(C)(C)c1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1 630212 JASMMJNDUKETCG-UHFFFAOYSA-N 364.514 5.653 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1Br 675334 AEQOEORMQYSBPW-UHFFFAOYSA-N 350.231 5.138 0 40 FKAB Cc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 2415932 JWQYVXJNVPVOQS-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB COc1ccc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1 2576845 PLBUVWHGUBHZBB-UHFFFAOYSA-N 362.812 5.789 0 40 FKAB biogenic CC1=CC(C)(C)N=C(SCc2ccccc2Cl)N1c1ccc(C)cc1 3101237 HGDVIPZXWXDQHN-UHFFFAOYSA-N 370.949 6.440 0 40 FKAB CCN(C(=O)CSc1ccccc1Cl)c1cccc2ccccc12 3219281 JEMNEHNELKMOEU-UHFFFAOYSA-N 355.890 5.638 0 40 FKAB Cc1ccc(Cl)c(NC(=O)CSc2nc3ccccc3o2)c1Cl 3316505 SHPYMDURHQNENE-UHFFFAOYSA-N 367.257 5.174 0 40 FKAB COc1ccc(OC)c(Nc2ncnc3sc(-c4ccccc4)cc23)c1 3345813 IRSIUYXIFQTDMD-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB Cc1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4428840 ZVEWCYZUOYQHDF-UHFFFAOYSA-N 366.529 7.079 0 40 FKAB CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 5155990 SYIBFBOCUCBMIQ-UHFFFAOYSA-N 363.511 5.507 0 40 FKAB Cc1cccc(NC2=NC(=S)N(c3ccc(Cl)cc3)C23CCCC3)c1 5427089 GLIAMYRTSBXALP-UHFFFAOYSA-N 369.921 5.577 0 40 FKAB Cc1ccc2oc(C(=O)Nc3cc(-c4ccc(F)c(F)c4)no3)c(C)c2c1 5451302 SKNLXCPIFBGRRY-UHFFFAOYSA-N 368.339 5.235 0 40 FKAB CCCCCC[C@]1(CCCCCCCCCCC(=O)O)NC(C)(C)CO1 6756395 WJUCIATYSCJYAM-QFIPXVFZSA-N 369.590 6.037 0 40 FKAB in-vitro Cc1cc(C)c2c(-n3cccc3)c(C(=O)NC3CCCCCC3)sc2n1 6780452 FIWFQJLMDKAYEC-UHFFFAOYSA-N 367.518 5.156 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)c1 10447211 QPRPHUNKLSRUEU-UHFFFAOYSA-N 373.408 5.323 0 40 FKAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1cc2ccccc2o1 12376536 PESIBEBCFDIZMT-UHFFFAOYSA-N 371.436 5.697 0 40 FKAB Cc1ccccc1CN(C)Cn1nc(Nc2ccccc2C)sc1=S 12554237 MQGHLCHNUGMMKW-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB O=C1O[C@H]2CCCC[C@H]2C2(CCCCC2)[C@@H]1CCCCNc1ccccc1 12657810 OZRXHOCLDHJQJT-VSKRKVRLSA-N 369.549 5.951 0 40 FKAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H]1CCCc2ccccc21 12923330 MIJJDYYETOIXKV-FPOVZHCZSA-N 365.473 5.213 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccc(F)cc5)(C4)C2)C3)cc1 13302978 LYJFSIRHPSNREU-ISVJADKWSA-N 363.476 5.611 0 40 FKAB CN(Cc1cccs1)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 14095866 SLMVEVCZFDTRJT-UHFFFAOYSA-N 363.482 5.037 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2C)c1 17074175 YROGKPVRZQGNJS-QGZVFWFLSA-N 359.897 5.302 0 40 FKAB Cc1c(CN[C@H](Cc2cccs2)c2nccs2)[nH]c2ccc(F)cc12 19565535 ZQAKPZKSALPXAO-QGZVFWFLSA-N 371.506 5.207 0 40 FKAB Cc1ccc(C)c([C@H](C)CNC(=O)c2occc2COc2ccccc2)c1 22276221 POXLBKPTOMNBOS-GOSISDBHSA-N 363.457 5.009 0 40 FKAB C[C@H]1CCc2c(c(-c3cccnc3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35324323 XKTALIIBCJAJNC-AWEZNQCLSA-N 374.875 5.237 0 40 FKAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2C)cc1 38651791 NYNSQUISMHAZEY-UHFFFAOYSA-N 366.877 5.328 0 40 FKAB COc1ccc2cc(C(=O)N(C3CC3)[C@H](C)c3ccc(Cl)cc3)[nH]c2c1 58423795 SHIGSKBMJMHOSX-CYBMUJFWSA-N 368.864 5.196 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 78458807 ZXUAOENQBVMISB-OALUTQOASA-N 353.506 5.380 0 40 FKAB NC(=O)[C@@H](Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 95364982 LWQSQBCZZFCLIE-IBGZPJMESA-N 371.267 5.299 0 40 FKAB O=C(CSCc1cccc(Cl)c1)NCc1ccc2ccccc2c1 222748762 BHDJGGROMPUTBF-UHFFFAOYSA-N 355.890 5.043 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222968181 UFRZBAASZZYXGV-ROUUACIJSA-N 365.517 5.334 0 40 FKAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223265135 HSXACCQMKIICBV-KQPPXVQYSA-N 367.489 5.026 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 223441421 GXFMBMNVGZQRAT-OALUTQOASA-N 367.533 5.554 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 224275607 USUIASBIVZJSGI-KRWDZBQOSA-N 373.924 5.865 0 40 FKAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2O1 224376340 LETPEBXYWWMSKC-VUVZNRFTSA-N 353.437 5.038 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1 224429580 BEYJGHYVTQEAMT-VQTJNVASSA-N 369.505 5.045 0 40 FKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 225766898 DLXIYRKHXSLKFL-HSZRJFAPSA-N 374.553 5.996 0 40 FKAB COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 245241149 XZYHUDBBIOJHPZ-WTNFDHGDSA-N 374.565 5.126 0 40 FKAB Cc1cc(F)ccc1C(=O)Nc1ccc(Br)cc1C(C)C 408617093 BOJQHHMAJLCKKP-UHFFFAOYSA-N 350.231 5.272 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 682887 JATQTTJJFAXRLB-IBGZPJMESA-N 371.480 5.585 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)OCc1ccc2c(c1)OCO2 1590370 DVOTULRUFWFDCF-UHFFFAOYSA-N 374.607 5.124 0 40 FKAB O=C(O)/C(=C/c1ccccc1)c1ccc2ccccc2c1Br 1600703 HZOGWAHONUTUJN-SFQUDFHCSA-N 353.215 5.228 0 40 FKAB CC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccco1 1777449 FCSOJFQFZBGOGI-JOCHJYFZSA-N 357.494 5.245 0 40 FKAB biogenic CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1940039 IGBGIPZZBRZBDM-WUXMJOGZSA-N 363.288 5.492 0 40 FKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCCCC1 3318786 OTNFXENTDHDBKT-VAWYXSNFSA-N 374.406 5.348 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 3326758 COFMQRZDJIBBLR-KBPBESRZSA-N 366.288 5.255 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 3364253 GODMHJPKGSGHBS-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB O=C(Cc1ccsc1)Nc1nc(-c2cccc3ccccc23)cs1 3434215 HMPFCHBDSBRYLV-UHFFFAOYSA-N 350.468 5.206 0 40 FKAB O=C(Nc1nc2c(Cl)cccc2s1)c1cc(Cl)ccc1Cl 4072575 CKECYXQRFFIXKQ-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 4672932 XXHMPSXQVZLWEF-UHFFFAOYSA-N 372.424 5.536 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(F)cc1 4678395 SFIUDUWLWIJZRZ-UHFFFAOYSA-N 357.432 5.505 0 40 FKAB COc1ccc([C@@H](Cc2ccccc2)N(C)C(=O)Nc2ccccc2)cc1 4785170 FFZLSVACFRRBRK-JOCHJYFZSA-N 360.457 5.143 0 40 FKAB CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=O)c1cccc(N)c1 5193341 CWYWMGWVODJUDK-BGYRXZFFSA-N 360.586 6.144 0 40 FKAB CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)[C@@H](C)c1cccs1 5477721 GLYFRAIVXQXWND-LAUBAEHRSA-N 365.583 5.669 0 40 FKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)C3CCC3)sc2c1 6552700 SKMNFOFERFUNAF-UHFFFAOYSA-N 350.487 5.246 0 40 FKAB CCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 7259618 IPPLJELBSPCXSI-HNNXBMFYSA-N 366.486 5.015 0 40 FKAB CCCCCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 7261020 UBODKEYZVAHBQV-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB c1coc(-c2cc(CN3CCCC[C@@H]3c3nc4ccccc4s3)no2)c1 8005326 BQRNRZGVAYHOAD-MRXNPFEDSA-N 365.458 5.272 0 40 FKAB COc1ccccc1[C@H](CCN(Cc1ccccc1)C(C)=O)c1ccccc1 9053832 WIZVAUXRORQTPC-HSZRJFAPSA-N 373.496 5.266 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 9141446 OYPFREONUDNCHF-LLVKDONJSA-N 352.261 5.768 0 40 FKAB Cc1nc(-c2cccc(NC(=O)CCn3ccc4ccccc43)c2)cs1 9221024 YKNBQKREKGOFML-UHFFFAOYSA-N 361.470 5.102 0 40 FKAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 11246796 WXUKLEAKHOGABR-UHFFFAOYSA-N 368.864 5.437 0 40 FKAB Clc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)c1 12178690 ARNAWZOQUIDVNX-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB C[C@H](NC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1F 12848712 ICELTSHTKHOXGL-IFXJQAMLSA-N 354.450 5.037 0 40 FKAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13939138 RJLMDMGBISVXQS-UHFFFAOYSA-N 372.745 5.140 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14022618 YDRJMQYWYIXEQV-INIZCTEOSA-N 372.679 5.751 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccc(C)c3)ccc21 14399125 TYLWCHNOVKBGGA-QGZVFWFLSA-N 372.468 5.529 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14401179 HBRQQYDJKAJWHW-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1C 20450206 IEALCOGTGUTOGW-INIZCTEOSA-N 354.302 5.811 0 40 FKAB CC[C@@H](C)NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 27338185 GKNBORHMDAMPLK-LLVKDONJSA-N 360.504 5.018 0 40 FKAB ClC1(Cl)C[C@H]1CSc1nc(-c2ccco2)nc2ccccc12 32868678 ULBVNXQNJHHZSR-JTQLQIEISA-N 351.258 5.176 0 40 FKAB Clc1ccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)cc1 44087467 FUVXXMJXIHHCJA-UHFFFAOYSA-N 354.906 6.227 0 40 FKAB COc1cccc(-c2cc3c(SCc4ccccc4C)nccn3n2)c1 57510823 FIUWDQNNSTYQFL-UHFFFAOYSA-N 361.470 5.006 0 40 FKAB Cc1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(O)c1 58190691 YLIGYMSMGHGWED-UHFFFAOYSA-N 373.408 5.278 0 40 FKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1 67190072 DXXCKDITXMCJSF-VHXPQNKSSA-N 354.409 5.226 0 40 FKAB Cc1ccccc1NC(=O)/C=C/c1cc2cc(Br)ccc2o1 67339409 QFWZSFAPRDCJMR-VQHVLOKHSA-N 356.219 5.156 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@]4(C)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935517 WDCJNWGWSPGXBU-QUQPRONESA-N 360.538 5.310 0 40 FKAB O=C(NCCSC1CCCC1)c1ccccc1SCc1ccccc1 224179716 IDPZEJRXULZVKB-UHFFFAOYSA-N 371.571 5.385 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 224433045 PEAXQDUSTAZKMP-MRXNPFEDSA-N 359.897 5.198 0 40 FKAB CCCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCCC1 225658391 BJDGCVQXYATRDN-SFHVURJKSA-N 361.526 5.549 0 40 FKAB CCN(CC)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)c1 408621950 NJNYYKGBAMNFFI-UHFFFAOYSA-N 374.912 5.291 0 40 FKAB Cc1cc(C)cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 408625733 XXOYKHILXBBKMH-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 408901259 CRROJMGDXUHGPZ-RAOBZKRQSA-N 353.443 5.105 0 40 FKAB FC(F)(F)c1ccc(SCSc2ccc(C(F)(F)F)cc2)cc1 2362803854 UNLKUCFICNBOAZ-UHFFFAOYSA-N 368.367 6.566 0 40 FKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C2CCCCC2)cc1 852596 ZDROKQFLOJWMQE-UHFFFAOYSA-N 370.496 5.972 0 40 FKAB Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)c2ccc(Cl)cc2)cc1 1042050 RUACNTYLMJKLNJ-ZDUSSCGKSA-N 359.882 5.178 0 40 FKAB CCOc1ccc(/N=c2\cc(-c3ccccc3)oc3cc(C)cc(C)c23)cc1 1892301 XXRLQQRSPHJEOU-XTCLZLMSSA-N 369.464 6.348 0 40 FKAB CCc1ccc(-c2nc(-c3cc4ccccc4oc3=O)sc2CC)cc1 2964196 NNBISLAYVJVOOM-UHFFFAOYSA-N 361.466 5.708 0 40 FKAB Cc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 4168552 JZNODVBZFJNKSZ-UHFFFAOYSA-N 373.525 5.788 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 4318352 LWLNKFVUOFWRQO-ONTIZHBOSA-N 371.883 5.581 0 40 FKAB Cc1nc(NC(=O)Nc2ccccc2)sc1CC(Cl)(Cl)Cl 4356774 UOMXRCUNQSHRKJ-UHFFFAOYSA-N 364.685 5.008 0 40 FKAB CC(C)CCOc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 4602503 TUHYTPGATGOUSD-UHFFFAOYSA-N 371.480 5.935 0 40 FKAB c1ccc([C@H]2CC(c3ccc4c(c3)CCCC4)=NN2c2ccccc2)cc1 4652659 CTPNPSVQLQQVSQ-RUZDIDTESA-N 352.481 5.921 0 40 FKAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc2ccccc2c1 4674046 JFUXJLCLXDQZIJ-UHFFFAOYSA-N 373.433 5.540 0 40 FKAB CCN(c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)C(C)C 5200374 OMOAHGLQJZYPDW-UHFFFAOYSA-N 350.384 5.192 0 40 FKAB COc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5460374 JGGBPPKNCKVNQM-PZJWPPBQSA-N 373.431 5.330 0 40 FKAB CCN(CC)CCOc1ccc(/C(=C/c2ccccc2)c2ccccc2)cc1 5572816 YOKPBLYAKJJMQO-YYADALCUSA-N 371.524 5.996 0 40 FKAB in-vitro Cc1cc(C)c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c(C)c1 5938051 HBWPSSGDKPKDOC-UHFFFAOYSA-N 364.445 5.048 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 6563648 WEZNLBQEKWESKA-KOJNJLGUSA-N 372.637 6.999 0 40 FKAB COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)Cc2ccco2)cc1 6747456 QQCVKIKXMCUGGD-UHFFFAOYSA-N 363.457 5.254 0 40 FKAB O=C(Nc1ccccc1Br)[C@H](c1ccccc1)C1CCCC1 6890247 OCYFKKAMEWNDKC-GOSISDBHSA-N 358.279 5.362 0 40 FKAB Cc1ccc(-c2nsc(NC(=O)c3oc4ccc(C)cc4c3C)n2)cc1 11914375 KFESPFURYIHXDD-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 15331632 JQQLBJPNIITCIU-JTQLQIEISA-N 357.809 5.061 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 17073600 RVCVTIHSVYLJMJ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 21790487 XKBQTBMOWKQOEC-UHFFFAOYSA-N 368.790 5.199 0 40 FKAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CNC2CCCCC2)cc1 26780326 HLHCIXOMQNYVCC-FQEVSTJZSA-N 361.570 5.062 0 40 FKAB Cc1ccc(-c2nc(CN3C(=O)c4cccc5cccc3c45)co2)c(C)c1 29358542 ANWIQHZBCFWVQU-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB Cc1ccc(C(=O)Nc2cc(C)c3oc(-c4ccc(F)cc4)nc3c2)cc1 98086963 SGQHWGMPDQLBOA-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB CC1=C(C)[C@]2(C)[C@@](C)(OC(=O)c3ccc(Br)cc3)[C@@H](C)[C@@]12C 104280414 XCKBIRVNXHZZSU-PZGXJPJSSA-N 363.295 5.377 0 40 FKAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Nc1cccc(Cl)c1 206721155 CEJASWKMPHQWBW-UHFFFAOYSA-N 368.824 5.183 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 222895490 ZJGPYFJJBKVKNN-JOCHJYFZSA-N 367.489 5.367 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223372025 JYFPDYQDXKOQLT-UTKZUKDTSA-N 369.505 5.162 0 40 FKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1 224085353 YTAMGRSKDZDLDY-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224130496 MQBAWMFDOFWDHM-INIZCTEOSA-N 373.496 5.642 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CCc1c(Cl)cccc1Cl 225351917 GGFDVTNSWXNTRW-UHFFFAOYSA-N 350.289 5.997 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C 225532291 AETORBCEZDSCAC-UHFFFAOYSA-N 367.489 5.243 0 40 FKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Cl)c1 227148014 BYJIXFJCLMPCBM-JXMROGBWSA-N 373.239 5.488 0 40 FKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@H](O[C@@H]3C[C@@H]4[C@@H]5CC[C@@](C)([C@@H]4O3)C5(C)C)C[C@@H]12 253592493 VUDXCBLBKXFCNA-QALJUMBRSA-N 374.565 5.378 0 40 FKAB in-vitro Cc1ccccc1C(=O)Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 408528615 FOAJDGVLCFZVGD-UHFFFAOYSA-N 366.420 5.338 0 40 FKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)c1 408622626 PSMYMUIAXFOHMO-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c(C)c1 632715 KISHKMMTVKWUCL-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CSc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 712579 OMEDWUWEAGJSLE-UHFFFAOYSA-N 356.516 5.568 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccccn1 1463042 GTGXULMNFLWCFB-OAQYLSRUSA-N 370.481 5.683 0 40 FKAB C[C@@H]1CCC[C@@H](C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)C1=O 1709022 BDKKAZPMAWNHHE-QAPCUYQASA-N 356.469 5.786 0 40 FKAB S=C1NC2(CCCCCCCCCCC2)NN1c1ccc(Cl)cc1 1830540 KBYFMWAEWQPMCI-UHFFFAOYSA-N 365.974 5.540 0 40 FKAB CC(C)(C)c1ccc(OC(F)(F)C(=O)Nc2ccc(Cl)cc2)cc1 3116792 SQHGEICCQSSBQO-UHFFFAOYSA-N 353.796 5.248 0 40 FKAB CCCCCc1ccc(-c2ccc(I)cc2)nc1 3175418 MUPXXCWOLLDPDQ-UHFFFAOYSA-N 351.231 5.086 0 40 FKAB O=C/C=C/c1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12 3280855 HRNIGUWWNVNDPK-CXUHLZMHSA-N 374.439 7.084 0 40 FKAB Cc1ccc(-c2cc(C(F)F)nc(NCc3ccc(Cl)cc3)n2)cc1 3896183 HIDWZWRHODCJSQ-UHFFFAOYSA-N 359.807 5.655 0 40 FKAB CC(C)Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 3953678 LSJQEPZARCBUJP-UHFFFAOYSA-N 361.470 5.889 0 40 FKAB COc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 4645848 DUVFPRCGCOVBBH-FCQUAONHSA-N 358.466 5.447 0 40 FKAB COc1ccc(NC(=S)N2CCC(CCCc3ccccc3)CC2)cc1 4710329 MJQNWSZDOUFBQW-UHFFFAOYSA-N 368.546 5.127 0 40 FKAB CC(C)Sc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 4847506 ZZBWPFJRSALLSF-CYBMUJFWSA-N 360.592 6.220 0 40 FKAB c1ccc([C@H]2C3=C(c4ccccc4CC3)N3CCO[C@]34CCCC[C@@H]24)cc1 4899206 CKZZOIDHUAISOG-LSQMVHIFSA-N 357.497 5.360 0 40 FKAB CC(C)c1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 5021694 ZGNDMXDCQYKTTN-UHFFFAOYSA-N 364.452 5.759 0 40 FKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@@H]1[C@@H]2C 6267728 YMIQZMUWJPTDGH-YBTBMNATSA-N 366.457 5.043 0 40 FKAB O=C(Nc1nccs1)c1cc(-c2ccccc2Cl)nc2ccccc12 6342232 OOKACSCUMFGHPW-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1[C@@H]2[C@H]2CC[C@@H]1C2 6673406 HLZNOJRSHYTLRA-DZKMNQEUSA-N 353.849 5.335 0 40 FKAB Cc1cc(C)c2nc(NC(=O)COc3cccc4ccccc34)sc2c1 6903386 HMANHGORFNFXIK-UHFFFAOYSA-N 362.454 5.084 0 40 FKAB C[C@H](NC(=O)c1sccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 7986182 CLIIKQLTBLDQNP-INIZCTEOSA-N 373.481 5.092 0 40 FKAB COc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1 10040093 JLSUJONTXWJDGE-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CSc1ccc2nc(Nc3nnc(-c4ccccc4Cl)o3)sc2c1 10069045 MZKAPOTVBAFIOS-UHFFFAOYSA-N 374.878 5.465 0 40 FKAB Cc1cccc(-c2cc(Nc3ccc(O)cc3)nc(SCC(C)C)n2)c1 11907658 DMAOAJMBVJPJTQ-UHFFFAOYSA-N 365.502 5.649 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12564076 RLQXAHVHHNKVAW-CYBMUJFWSA-N 369.465 5.440 0 40 FKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)C(C)(C)C)cccc2c1Cl 12843655 NFOXLJUVZOWIEY-UHFFFAOYSA-N 366.914 5.068 0 40 FKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2ccccc2n1 14711159 PYTBZPVXKKMXAW-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB CC1CCN(c2ccccc2NC(=O)COc2cccc3ccccc23)CC1 16609343 FAXUZDNMFTVJIR-UHFFFAOYSA-N 374.484 5.094 0 40 FKAB O=C1CS[C@H](c2ccc(F)cc2)N1c1ccccc1Oc1ccccc1 17198356 RWZPTVWRORNLKE-OAQYLSRUSA-N 365.429 5.397 0 40 FKAB COc1ccc2c(CC(=O)Nc3ccccc3-c3cccs3)coc2c1 25051283 WKMFUVJQVUJOLG-UHFFFAOYSA-N 363.438 5.351 0 40 FKAB COc1ccc2nc(NC(=O)C3(c4ccc(C)cc4)CCCC3)sc2c1 30822831 BHNXMMCFVFCTJJ-UHFFFAOYSA-N 366.486 5.064 0 40 FKAB CC(C)c1ccc(OCCCC(=O)Nc2nc3c(F)cccc3s2)cc1 32598912 OTRMFUUPGIASKH-UHFFFAOYSA-N 372.465 5.357 0 40 FKAB c1cnc2cc([C@H]3O[C@H]4CCCC[C@H]4c4cc5c(cc43)OCO5)ccc2c1 35741617 WQWAUEKHCKFPIR-ITSWEJNFSA-N 359.425 5.109 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)OC3CCCCC3)ccc12 38267468 QCXKUZPMZZWKFW-DEOSSOPVSA-N 370.769 5.306 0 40 FKAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl 53944015 AJPZOTNQENWNDW-UHFFFAOYSA-N 354.837 5.184 0 40 FKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccccc1C(F)(F)F 64746614 DPQMGAHMROSIOB-UHFFFAOYSA-N 357.331 5.750 0 40 FKAB in-vitro Cc1cc(Br)ccc1NC(=S)Nc1cc(F)ccc1C 71761604 ZXXPUDRDMDUVGV-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB FC(F)n1c(SCc2cc(-c3cccs3)on2)nc2ccccc21 71838557 GQOYMEXYSAPGRR-UHFFFAOYSA-N 363.414 5.440 0 40 FKAB Cc1c(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)oc2ccccc12 96194122 NKBKOWJBFDFVDM-UHFFFAOYSA-N 366.833 5.228 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 96506450 VNDCXWCPZJKABF-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB COc1ccc(-c2cnc(-c3ccccc3-c3ccccc3C(=O)O)o2)cc1 196420689 UCJJVQFUYUZIMO-UHFFFAOYSA-N 371.392 5.382 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)c(C)c1 219303301 ACOKBMBLMPFDLF-FPOVZHCZSA-N 353.506 5.264 0 40 FKAB O=C(NCc1ccc2ccccc2c1)c1cc2c(ccc3ccccc32)o1 222774525 NODHVGOYRLHZDA-UHFFFAOYSA-N 351.405 5.669 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 223008499 ATHUYXAXJWSWJH-MRXNPFEDSA-N 372.679 5.751 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223096343 KFRLLSXPIQMPAJ-VGOFRKELSA-N 365.517 5.163 0 40 FKAB COc1cccc(NC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223391524 OUHXGKINWQWOMD-OAHLLOKOSA-N 356.466 5.018 0 40 FKAB COc1cc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(C)C 224091993 ITKXIFIJSCPXSL-UHFFFAOYSA-N 369.486 5.081 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224430496 LXYIBOUHTWMFOA-UHFFFAOYSA-N 355.478 5.215 0 40 FKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC(C)CC1 225669638 NIGJWASHCSEMEE-ASNBIDDJSA-N 361.526 5.486 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O 409018073 XFUCINUCEZLCCB-AWOYWQDDSA-N 367.898 5.352 0 40 FKAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 869924 AGKZLBZSICFZOC-UHFFFAOYSA-N 350.274 5.081 0 40 FKAB FC(F)(F)c1cc(-c2ccco2)n(-c2nc(-c3ccccc3)cs2)n1 1415807 VNVDVLNLDADAGY-UHFFFAOYSA-N 361.348 5.275 0 40 FKAB CC(=O)O[C@H]1C(c2ccccc2)=C(c2ccccc2)O[C@@H]1c1ccccc1 1707629 PRDNSCQNLIWGBQ-RPWUZVMVSA-N 356.421 5.258 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc(Cl)cc1 2145987 JUWMWHGJHDNAGE-FCHUYYIVSA-N 364.828 5.242 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(SC(F)F)cc1 2632361 PQDBWAKAWHPJHG-UHFFFAOYSA-N 362.228 5.489 0 40 FKAB Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)c(Cl)c1 3128608 KREBYROKDFVKBY-UHFFFAOYSA-N 374.267 5.091 0 40 FKAB Clc1ccc(Cn2cc(SCc3ccccc3)c3ccccc32)cc1 4059773 HTVUZOFCDGYROH-UHFFFAOYSA-N 363.913 6.635 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 4285638 VSVORUIMESBOHI-WTIAFYNJSA-N 355.566 6.056 0 40 FKAB CCCCCC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 4949047 AGXDYZYXDNJFPW-INIZCTEOSA-N 366.530 6.052 0 40 FKAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1 5033296 PZPBNHAKDVRMTE-UHFFFAOYSA-N 353.805 5.363 0 40 FKAB CC(C)Oc1ccc(CNCCC(C)(c2ccccc2)c2ccccc2)cc1 5499074 KFWQKUVTEVEKHG-UHFFFAOYSA-N 373.540 5.960 0 40 FKAB CC[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1 6489294 DYYUBWSYMCCGPQ-AWEZNQCLSA-N 364.297 6.089 0 40 FKAB COc1ccc(-c2cc(Nc3ncnc4sccc34)ccc2OC)cc1 7187257 QLGADZFSFIKVPI-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB CCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 7261296 DSYGQYMEKYGDSB-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3F)o2)cc1 8855608 AWJFDAQAXNHDDH-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc(Cl)c1 10120000 AMQXLTCWKLABKK-UHFFFAOYSA-N 362.816 5.324 0 40 FKAB Clc1ccc(-c2cc(C3CCN(Cc4cccs4)CC3)n[nH]2)cc1 13998174 FCBOEFAAYISHGJ-UHFFFAOYSA-N 357.910 5.171 0 40 FKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1C 16362794 WANNBAHUIGVVRW-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccccc2)o1 21576336 SBRQLWSPQGEEAW-UHFFFAOYSA-N 364.420 5.328 0 40 FKAB CCc1ccc(N(Cc2cccs2)C(=O)c2cccc(OC)c2)cc1 27793690 KIOUXVZKTHJQFL-UHFFFAOYSA-N 351.471 5.166 0 40 FKAB CC[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(C)cc1 30757434 MQGQMUREWKXVGD-SGXRDAIWSA-N 355.481 5.803 0 40 FKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30857786 CYGXLWZPHOACRL-HRAATJIYSA-N 369.505 5.028 0 40 FKAB Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 41107575 QBAYVGIUZUZTGY-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB CCN(CC)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)c(C)c1 71761718 NRLSJJBURNWZTE-UHFFFAOYSA-N 365.905 5.443 0 40 FKAB O=C([C@@H]1CCCc2ccccc21)N(Cc1ccccc1C(F)(F)F)C1CC1 71800809 ZLFNNDCERXKLMD-LJQANCHMSA-N 373.418 5.317 0 40 FKAB C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(SCc3cccnc3)cc2)C1 76021996 NQQYRHYGXFMTSS-DLBZAZTESA-N 354.519 5.025 0 40 FKAB CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 95868120 KRYOQEAJTHSPKQ-CQJMVLFOSA-N 366.718 9.668 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(C)cccc1C(C)C 216271353 HJGKYYXKFDDFGZ-QFIPXVFZSA-N 361.485 6.068 0 40 FKAB C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 216454401 JFAHNXHDJOUUNJ-MRXNPFEDSA-N 365.473 5.609 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccccc2Cl)cc1 220017701 ZTLHEDKLCOQVOB-HXUWFJFHSA-N 359.897 5.185 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)c(C)c1 224185372 IIJDEYQNTUHBJK-AWEZNQCLSA-N 365.901 5.207 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 224523195 SMLAJJXUVYJHBY-ZDUSSCGKSA-N 366.288 5.831 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCCSCc2ccccc2F)c1 225611363 LVEODBWXVFZZHJ-UHFFFAOYSA-N 362.539 5.052 0 40 FKAB Cc1c(Br)cccc1-c1nc2cc(-n3cccc3)cc(C)c2o1 226248416 GCXRYCDAQWXCJF-UHFFFAOYSA-N 367.246 5.665 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3cccc(Br)c3)nc2c1 226343208 KSBGVYGFNAZLTG-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 257265817 MALLRKUVIJXYLQ-CTNGQTDRSA-N 360.501 5.119 0 40 FKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C(C)C)cc3)N21 260752888 AHMJIWIHTRRBKG-HOJAQTOUSA-N 351.519 5.184 0 40 FKAB COc1ccc(CCCc2nnc(SCc3ccc(C)cc3)o2)cc1C 409013990 LMRIBHPUZLMRJD-UHFFFAOYSA-N 368.502 5.163 0 40 FKAB Cc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1 409115100 KAIZXPLQELOWTK-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COc1cc(-c2nnc(-c3ccc(C)cc3)o2)ccc1OCc1ccccc1 892009 WNBGDLBUSRDFIG-UHFFFAOYSA-N 372.424 5.300 0 40 FKAB Cc1noc(C)c1CSc1ncnc2sc(-c3ccccc3)cc12 1290744 AENYFFVVVFRUBJ-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB Clc1ccc(C2=N[C@@H](c3ccccc3)/C(=C\c3ccccc3)S2)cc1 1859145 CFYZAPUGOWEMDG-MEPUESOJSA-N 361.897 6.616 0 40 FKAB Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 2331618 WZBSZCZFXFYLMW-WOJBJXKFSA-N 356.252 6.224 0 40 FKAB Cc1ccc(C(C)(C)C)cc1S[C@@H](C)C(=O)N1CCc2ccccc2C1 2625191 GEPASDCOQYOAHQ-KRWDZBQOSA-N 367.558 5.358 0 40 FKAB Fc1ccccc1Cn1c(Cc2cccc3ccccc23)nc2ccccc21 2666403 WWUWXKUZDQVFHV-UHFFFAOYSA-N 366.439 5.968 0 40 FKAB Cc1nn(C(=O)c2cccc(Cl)c2)c(C)c1Sc1ccc(F)cc1 2685883 OIZICVATVUUAGT-UHFFFAOYSA-N 360.841 5.132 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1C(F)(F)F 2790600 YROXVIRYZVRSBJ-UHFFFAOYSA-N 371.786 5.465 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 3847906 KIQFUORWRVZTHT-OUNAMXNMSA-N 374.565 5.715 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 4666420 LXDIYMLBEMOWQK-CQSZACIVSA-N 360.295 5.390 0 40 FKAB O=C1O[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)c2ccccc21 4720856 GYMOHBXQIFHGKE-DEOSSOPVSA-N 352.389 5.008 0 40 FKAB CCC1(CC)Oc2c(OC(C)=O)cccc2C(C)=C1c1ccc(OC)cc1 4775352 FWYDHMOJYZZHMD-UHFFFAOYSA-N 366.457 5.502 0 40 FKAB CCSc1nc(-c2ccccc2)nc2c1Cc1cc(Cl)ccc1O2 5035277 ARUKCFXNUQEJLL-UHFFFAOYSA-N 354.862 5.606 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCCc1ccccc1 7540216 AKISJAROGKABMJ-UHFFFAOYSA-N 353.506 5.129 0 40 FKAB CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccccc21 8133279 YNDDINIBFIUIMN-UHFFFAOYSA-N 370.865 5.052 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 9355399 HOWROHWPHLZPLD-QHCPKHFHSA-N 352.437 5.222 0 40 FKAB COc1ccccc1NC(=O)c1ccccc1SCc1ccsc1 9868671 JDXWNZCIRJUEKU-UHFFFAOYSA-N 355.484 5.301 0 40 FKAB CC(C)(C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 11327457 JIBCOCDRBPDFHQ-UHFFFAOYSA-N 366.436 5.350 0 40 FKAB Cc1cc(C)c2c(n1)sc1c(-c3ccccc3)nc(-c3ccccc3)nc12 12446578 MHRUUPQDKMPLOK-UHFFFAOYSA-N 367.477 6.190 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@@H](C)C5)[C@@H](C)CCC3)c1 12610207 FPILJRVAZJCQIJ-CVEARBPZSA-N 361.554 6.836 0 40 FKAB Cc1ccccc1-c1nnc(-c2cccc(NC(=O)c3cccc(F)c3)c2)o1 13955238 ARZQEITUROZIBN-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 14022387 OFRPOJMTQSJNKT-QFIPXVFZSA-N 361.441 5.583 0 40 FKAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 14268860 GLFAVFNYBGHOEO-JXMROGBWSA-N 354.881 5.228 0 40 FKAB CCCNc1cc(C)nc2c(-c3ccccc3Cl)c(C(F)(F)F)nn12 21150488 UKVYXXJWPALCNS-UHFFFAOYSA-N 368.790 5.199 0 40 FKAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)c2nc(C(C)(C)C)no2)c1 24046767 QWXYMMZPICDPOO-CQSZACIVSA-N 356.495 5.023 0 40 FKAB CC(C)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088093 MIMZIZZCNVZWDY-UHFFFAOYSA-N 374.456 5.889 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 59271309 HKAVVOKQHWQWSL-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc(F)c(F)c1 65845901 OGFIXIVFIRCRLA-UHFFFAOYSA-N 351.352 5.070 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(I)cc3)nc2c1 73639076 VNUYRGQASVNGNE-UHFFFAOYSA-N 363.198 5.223 0 40 FKAB Cc1[nH]c(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc1-c1ccccc1 95468312 ISISVFBRMMLLQA-UHFFFAOYSA-N 369.251 6.619 0 40 FKAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1C 106700586 HVWQEEVCONBLAF-YVLHZVERSA-N 374.893 5.015 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219291323 LUNNBAUYHITOPB-CQSZACIVSA-N 359.853 5.067 0 40 FKAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 219481156 PHKIVVGWCXJHKL-KRWDZBQOSA-N 363.482 5.385 0 40 FKAB C[C@@H](CNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 224316580 LVRYLQOKHFRNRN-INIZCTEOSA-N 360.482 5.803 0 40 FKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2cccnc12 225860726 PVIAVFBUWDJXNH-UHFFFAOYSA-N 374.484 5.392 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c1 682234 ITYDEABWBGEFLT-UHFFFAOYSA-N 352.261 5.443 0 40 FKAB CC(C)COc1ccc([C@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 822594 ZWVOOYMMRUJKIY-RPWUZVMVSA-N 367.533 5.025 0 40 FKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Oc2ccccc2)n1 1243248 RXMZVPNJCQYTQR-UHFFFAOYSA-N 350.727 5.608 0 40 FKAB Cc1ccc(C)c(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)c1 1852969 CKEWXCVHPCJBPE-UHFFFAOYSA-N 367.448 5.876 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3)c2c1 2078827 BAGLNLLDMXRDFN-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB CCc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2255446 OHLLUFISIZQAAS-UHFFFAOYSA-N 350.425 5.198 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2s1 4134703 QDCFQYDJFSWROA-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB CCCCCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 4425422 AUFMKGRMGQMMSP-BJKOFHAPSA-N 367.533 5.169 0 40 FKAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 4746533 RIFSHWMGPCASJT-SELVFMLMSA-N 359.513 5.688 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cc2sccc2n1Cc1ccccc1 4970950 YCRZAXYKBLUNHT-UHFFFAOYSA-N 350.418 5.143 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 6243123 ANQMAPBQQCIMCZ-OAHLLOKOSA-N 368.546 5.624 0 40 FKAB COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(O)cc1)[C@@H]2c1ccccc1 6591293 YHYXTSRIFWSWTK-PKTZIBPZSA-N 360.453 5.488 0 40 FKAB Clc1cccc(Cl)c1OCCCN1CCCC[C@H]1c1cccnc1 6719323 HEVDIZXZUJELDS-SFHVURJKSA-N 365.304 5.385 0 40 FKAB biogenic COc1cc(Cl)c(C)cc1NC(=O)c1sc(-c2ccccc2)nc1C 7996039 HXEKXEPEDKHTEM-UHFFFAOYSA-N 372.877 5.341 0 40 FKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1cccs1 8534257 YZEJXMLCYPQMBO-INIZCTEOSA-N 353.487 5.187 0 40 FKAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccc1F)c1ccccc1 14123882 IPAKKDGKSZKWAQ-QFIPXVFZSA-N 358.416 5.021 0 40 FKAB CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2cc(C)c(C)cc12 18936026 JAAXCFQJUVRGPN-UHFFFAOYSA-N 361.894 5.147 0 40 FKAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)c1C 20672081 GOHDFLOTMWMAFV-UHFFFAOYSA-N 359.473 5.388 0 40 FKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCC(C)C)C1 54114200 XGWNKQOXNDXRAY-UHFFFAOYSA-N 351.446 5.295 0 40 FKAB Cc1ccc2oc(Nc3nc4c(Cl)c(Cl)ccc4s3)nc2c1 57352955 JSWTVFHQSQSZIY-UHFFFAOYSA-N 350.230 5.796 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1cccc(Cl)c1 58016114 BLBFLJDTWJPXHE-LBPRGKRZSA-N 354.302 5.562 0 40 FKAB Clc1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 70461598 GSVQMWLCIIUTDA-UHFFFAOYSA-N 369.251 6.414 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 78458546 ARVHFWIKHMHLKS-JTSKRJEESA-N 367.533 5.581 0 40 FKAB Cc1nn2c3c(c(-c4cccnc4)nc2c1-c1ccc(Cl)cc1)CCCC3 96191625 IDPAHGPOHWYTSE-UHFFFAOYSA-N 374.875 5.299 0 40 FKAB Cc1ccc(F)cc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 98073273 PGBKAABZRPJYPB-MRXNPFEDSA-N 361.416 5.107 0 40 FKAB C[C@H](OC(=O)c1ccc(N)cc1Cl)c1ccc2c3c(cccc13)CC2 216851102 WLNOGGZBHJLVIG-LBPRGKRZSA-N 351.833 5.092 0 40 FKAB Cc1cc(Nc2ccccc2)nc(S[C@@H]2C(=O)[C@H]3CC[C@@]2(C)C3(C)C)n1 221831585 IKASSMQQNILGOK-FQELHTAISA-N 367.518 5.015 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 222997356 ZISGOUPFEWDPCU-FGZHOGPDSA-N 353.506 5.364 0 40 FKAB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223016876 UBBPIMLGEIOGQM-FQEVSTJZSA-N 373.949 5.578 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1C(C)C 223309770 WETDJQAOLZAQNJ-HNNXBMFYSA-N 359.897 5.200 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C 223453761 VBXAVKFYYHKLHI-RBUKOAKNSA-N 361.485 5.410 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465289 GZLKGXOWOHOSQB-VQIMIIECSA-N 359.897 5.300 0 40 FKAB Cc1cc(C)c(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c(C)c1 225136526 CSJSWENBPPZNNN-QHCPKHFHSA-N 360.453 5.354 0 40 FKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)c(C)c1 225671107 XTTXSLPRWHLBLV-FQEVSTJZSA-N 369.505 5.325 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 225865290 VKIXETDDCULVFC-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB Cc1ccc(-c2nnc(SC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 408599694 JFYUZBHRVRZYIZ-UHFFFAOYSA-N 352.459 5.275 0 40 FKAB Cc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408619570 JHJRIBZIZSYUEU-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)NC1(Cc2cccc(F)c2)CCC1 1202172516 TXDAIIRXCDRDJP-UHFFFAOYSA-N 366.358 5.131 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1c(Cl)cccc1Cl 957081 UPNOGHNPCNXCFR-VOTSOKGWSA-N 370.663 5.616 0 40 FKAB CCOC1=C(CN2CCCCC2)[C@H](c2ccc(F)cc2)Oc2ccccc21 1408494 ZFAXCMNHJCCKQR-QFIPXVFZSA-N 367.464 5.193 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 1508999 BROKNJMJPORZPX-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB O=C(Oc1ccc(Br)cc1)c1sc2ccccc2c1Cl 2134608 DKMXZQNHAVTQOH-UHFFFAOYSA-N 367.651 5.536 0 40 FKAB Cc1ccccc1Cn1nc(-c2ccc(F)cc2)c(C)c1-c1ccc(F)cc1 2733277 PYWBYRIEYAZICW-UHFFFAOYSA-N 374.434 6.160 0 40 FKAB O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1CCCCCC1 2752371 KJOLODSLSGHXKW-UHFFFAOYSA-N 359.469 5.435 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1cccc(OC(F)(F)C(F)F)c1 3215677 JPRDAGZSQOMJPC-UHFFFAOYSA-N 363.310 5.329 0 40 FKAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 4675140 QAZBTIXXAZGXRJ-IZHYLOQSSA-N 368.436 5.534 0 40 FKAB Cc1ccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)cc1 5446513 ZSLPVYBFQOAQTA-UHFFFAOYSA-N 357.409 5.205 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(Cl)cc1 6494998 FWZTVKRHHREDJI-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB FC(F)(F)c1cnc(SCc2nnc(-c3ccccc3)o2)c(Cl)c1 6580440 QMHUCIDAVJGPGB-UHFFFAOYSA-N 371.771 5.096 0 40 FKAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 7643818 QESSIBVUMXNIEW-CQSZACIVSA-N 368.477 5.073 0 40 FKAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 7737699 FANZBSMKUKMQRP-UHFFFAOYSA-N 360.413 5.276 0 40 FKAB O=C1O[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)c2ccccc21 8616961 GYMOHBXQIFHGKE-XMMPIXPASA-N 352.389 5.008 0 40 FKAB Cc1ccc(-c2nc(CC(=O)Nc3nc(C(C)(C)C)cs3)cs2)cc1 8723439 ZEKBDEFOYFXVCB-UHFFFAOYSA-N 371.531 5.054 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1 9306362 FQUITFNXNKTGOM-AWEZNQCLSA-N 362.860 6.025 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 9660053 GCHDCLVPHMOSNI-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic Cc1ccc([C@@H](NCc2nc(-c3cccs3)no2)c2cccs2)cc1 12792783 OPDGCQJYUYNJJK-GOSISDBHSA-N 367.499 5.047 0 40 FKAB C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)C1CC1 12989338 PIWLNTGEBKMMHU-CXAGYDPISA-N 364.876 5.266 0 40 FKAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13648284 RHEAGKWLKWQVHL-INIZCTEOSA-N 371.546 5.103 0 40 FKAB COc1ccc(NC(=O)c2ccc(CN(C)C3CCCCCC3)cc2)cc1 14705272 YYZIMVKQLROVBT-UHFFFAOYSA-N 366.505 5.102 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19690596 ASPAGCBEUBBHEK-HSZRJFAPSA-N 374.459 5.102 0 40 FKAB Clc1ccc2c(c1)C[C@H](NCCc1ccccc1)c1ccccc1S2 19802500 FYIRJNNYCMVAJY-FQEVSTJZSA-N 365.929 5.921 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 20454179 AGJGERSSAGLPGA-INIZCTEOSA-N 365.951 5.961 0 40 FKAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cc2ccccc2o1 21933621 BTGZYHSIAMMIQG-LBPRGKRZSA-N 368.483 5.038 0 40 FKAB CCC(CC)C(=O)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914043 ILDXPHJJZVAOPK-UHFFFAOYSA-N 369.465 5.386 0 40 FKAB O=C(O)C/C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1 28495877 SCBUWGCMZZCINH-XFXZXTDPSA-N 374.259 5.074 0 40 FKAB CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3C[C@H](c4ccccc4)NN32)cc1 36286711 NNUWRAGPZLVXPM-AOHZBQACSA-N 372.468 5.169 0 40 FKAB Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc3ccccc23)cc1 72314537 PVFYAXBVLNXLKW-UHFFFAOYSA-N 355.397 5.047 0 40 FKAB Brc1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 73638576 PDBNTHAELPBNRN-UHFFFAOYSA-N 366.283 6.393 0 40 FKAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)[C@@H](C)c1cc2ccccc2o1 89960778 BFMRLPSDAWNOPP-HNNXBMFYSA-N 374.440 5.015 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC 106993818 OWHZZCSRJGYQQK-UHFFFAOYSA-N 374.695 6.056 0 40 FKAB O=C(/C=C/c1cccs1)N1CCS[C@@H](c2ccccc2Cl)CC1 211146663 ULHKOWBMEJZKBO-IWAYRVGRSA-N 363.935 5.122 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCS[C@H](c2cccs2)CC1 219518965 BXDFTIDYKAWBBG-INIZCTEOSA-N 359.541 5.283 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(C(C)C)cc1 219601357 NLKMADSCQTZDEO-JOCHJYFZSA-N 353.506 5.025 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1C 223398247 FFSJCHWAMPBKMD-MRXNPFEDSA-N 361.938 5.376 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)CC2 223407192 SMETUPVNUIIYSD-UHFFFAOYSA-N 367.901 5.464 0 40 FKAB CCCOc1c(C)cc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C 225666202 ACWMXLJRVMOECD-ZHRRBRCNSA-N 361.526 5.406 0 40 FKAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c2cccnc12 225885274 HUQOEXIPFXIHKZ-UHFFFAOYSA-N 372.509 5.049 0 40 FKAB Cc1c(C(=O)O)c2ccccc2n1C(=O)C(c1ccccc1)c1ccccc1 226366261 FVJUWIWTAYVNMA-UHFFFAOYSA-N 369.420 5.120 0 40 FKAB O=C(Cc1cccc2ccccc12)N[C@@H](c1ccsc1)c1cccs1 390826214 FRLKPUDVSRESEW-NRFANRHFSA-N 363.507 5.411 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 408773419 KPCOQBUQDNEBGV-UHFFFAOYSA-N 361.510 5.989 0 40 FKAB Cc1sc(NC(=O)c2cccs2)nc1-c1ccc(Cl)cc1Cl 408823897 GUKFRDANJMMOFJ-UHFFFAOYSA-N 369.298 5.739 0 40 FKAB C[C@H]1C[C@@H](c2ccc(Cl)c3ncccc23)CN(C(=O)OC(C)(C)C)C1 1772715184 RSFJQFFCUXNJAY-UONOGXRCSA-N 360.885 5.249 0 40 FKAB O=C(Nc1ccccc1Cl)c1cnn(-c2ccccc2)c1-c1ccccc1 633006 PPMLQOJPGBWAQO-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 666550 KVKZPMUYZQVRNV-UHFFFAOYSA-N 370.246 5.578 0 40 FKAB CCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F 1058325 DTCMJFJLADVFGZ-UHFFFAOYSA-N 365.273 5.202 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)Nc1ccccc1 1394794 LCFSVQZEOYTHCW-ZDUSSCGKSA-N 372.877 6.082 0 40 FKAB CCCC(=O)Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 1412644 GYPLSKYXJNVKGC-UHFFFAOYSA-N 372.877 5.546 0 40 FKAB O=C(c1cc(Cl)ccc1Cl)N(C1CCCCC1)C1CCCCC1 2086251 HPJGVQKEXWDTHT-UHFFFAOYSA-N 354.321 6.101 0 40 FKAB CC(C)(C)c1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 2393843 YFJPSUQRGQLLCP-UHFFFAOYSA-N 368.893 5.471 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccccc1)c1ccccc1 2827763 CZYALNHZBTYMHY-OBGWFSINSA-N 367.370 5.885 0 40 FKAB Cc1ccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1C 3060970 JAJFFDZCJJDNQR-RSMFLLDRSA-N 367.492 5.929 0 40 FKAB C[C@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2cccc(Cl)c2)S1 3145726 OUOMZIJAJBYYNF-NSHDSACASA-N 363.845 5.009 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccc(F)cc2)C1(C)C 3765604 GXTCOSAATBZAQH-WIYYLYMNSA-N 364.464 5.175 0 40 FKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1C 4070353 UOUZDYWQVQKOAK-UHFFFAOYSA-N 371.893 5.344 0 40 FKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4170577 RWCQBUWGKJOPGW-NZQKXSOJSA-N 358.441 5.645 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 5545438 CIZDGMIJDHOLEZ-XNTDXEJSSA-N 358.416 5.403 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2ccccc2c1 6243471 FGMDJTIVTRNCAV-HNNXBMFYSA-N 362.498 5.480 0 40 FKAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(C)c2)C1=O 6323993 GGUXMVFAFSZNLL-CPNJWEJPSA-N 367.470 5.020 0 40 FKAB COc1ccc(CSC(=S)Nc2ccc(Cl)cc2Cl)cc1 6411233 MYQYKJBEDHMIOS-UHFFFAOYSA-N 358.315 5.632 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 7080086 QTOLJQNFGWBICQ-KRWDZBQOSA-N 371.480 5.789 0 40 FKAB Cc1ccc(-c2noc(/C(=C/c3ccc(Cl)cc3)CCCCN)n2)cc1 8507751 SGZTTYIRFKHDSQ-NBVRZTHBSA-N 367.880 5.368 0 40 FKAB FC(F)(F)c1cnc(SCc2nc(-c3ccccc3)no2)c(Cl)c1 9160740 UZDRSIAYNSSTCR-UHFFFAOYSA-N 371.771 5.096 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(F)cc1Br 9315921 JXFVGDIGLMFKBZ-UHFFFAOYSA-N 350.231 5.272 0 40 FKAB O=C(NCCc1ccccc1F)N1c2ccccc2Sc2ccccc21 13574607 HOUCVUBANJJQDI-UHFFFAOYSA-N 364.445 5.381 0 40 FKAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 14391431 AHWYIFKROPPGGM-SECBINFHSA-N 373.077 5.247 0 40 FKAB Cc1ncc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)o1 16363372 PLQUBYWQKBUCRY-UHFFFAOYSA-N 368.436 5.421 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 20238560 QDWLSPQAFDNNLH-MRXNPFEDSA-N 373.949 5.302 0 40 FKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)c(F)c1 21017235 BFBNVVIMYOHRGN-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB Fc1ccc(CN[C@@H](c2ccc3c(c2)CCC3)c2cccs2)c(F)c1 32845180 WLGMCRKDYDZHPO-NRFANRHFSA-N 355.453 5.394 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 38752537 UGSGKWNCONRVJL-HXUWFJFHSA-N 365.498 5.748 0 40 FKAB Cc1cc(C)n(-c2nc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3s2)n1 40542389 DPUMVWMOIZJVLC-UHFFFAOYSA-N 374.469 5.524 0 40 FKAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)s1 65551251 QLUIHXLOFIDXRA-HXUWFJFHSA-N 355.890 5.158 0 40 FKAB c1csc(-c2noc(CN3CCC[C@@H]3c3cccc4ccccc34)n2)c1 69951098 DPTKCQJEYNHOHK-GOSISDBHSA-N 361.470 5.288 0 40 FKAB Cc1noc2c1[C@@H](c1ccsc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102748347 PBFLEUXQVBIMIB-HNAYVOBHSA-N 362.454 5.652 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223247208 BSMJZGUEGQENFN-YCRPNKLZSA-N 371.908 5.172 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224855918 OHRAPNHYTBVOJL-UHFFFAOYSA-N 355.381 5.015 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)c(F)c3)ccc21 225392118 YJTTUVUCRZGRHN-UHFFFAOYSA-N 362.404 5.214 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 257341567 ZKXKIYXRBBQTTE-HXUWFJFHSA-N 374.459 5.216 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c(C)c1 998559 LIGVEIXTMMFXGY-QZTJIDSGSA-N 372.512 5.637 0 40 FKAB CC(C)N(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(C)C 2085947 PSVMUACMTABSHQ-UHFFFAOYSA-N 366.892 5.814 0 40 FKAB O=C(NCc1ccccc1Cl)/C(=C/c1cccs1)c1cccs1 2626632 RUUGSCAIUSXDTA-RVDMUPIBSA-N 359.903 5.320 0 40 FKAB c1ccc(-c2nc(Sc3ccccn3)c3oc4ccccc4c3n2)cc1 2809891 CZAXKZLQWOGCBT-UHFFFAOYSA-N 355.422 5.589 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 3183600 JOJUOQNVLMLFHI-UHFFFAOYSA-N 360.038 5.400 0 40 FKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)CC(c1ccccc1)=C2 4380025 DXNURCRRGKRFQK-DEOSSOPVSA-N 362.476 6.257 0 40 FKAB Cc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)ccc1Br 4666384 RMDQSNKLEORMAB-HNNXBMFYSA-N 374.322 5.698 0 40 FKAB CSc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 5222731 LQSNVQZVXCACNQ-UHFFFAOYSA-N 360.891 5.438 0 40 FKAB COc1ccc([C@@H](CCNCc2ccccc2F)c2ccc(F)cc2)cc1 5477770 KQVIYHJSXGPHKZ-QFIPXVFZSA-N 367.439 5.285 0 40 FKAB COc1ccccc1Nc1nnc(S[C@H](C)c2ccc(F)cc2)s1 6035750 LNDZJQJHNAAGRP-LLVKDONJSA-N 361.467 5.283 0 40 FKAB CCCCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 6783321 GWZVXHZPLPHPEX-UHFFFAOYSA-N 371.488 5.519 0 40 FKAB S=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 6926323 UTCJEFRFMACBGZ-UHFFFAOYSA-N 359.709 5.176 0 40 FKAB COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1Cl 6953647 QKEJQUNXBCSVSU-UHFFFAOYSA-N 360.788 5.176 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 7987297 OYHGKOFKIJXDBU-HNNXBMFYSA-N 362.454 5.062 0 40 FKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1F 8535328 RFAABTKLCOPYLY-QGZVFWFLSA-N 365.448 5.264 0 40 FKAB CCOc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120017 PPTVQGBBIOYMAV-UHFFFAOYSA-N 372.424 5.070 0 40 FKAB Cc1ccccc1CSCCNC(=O)CCc1ccc(C(C)C)cc1 10333309 CYBCJKAWGJDZLG-UHFFFAOYSA-N 355.547 5.101 0 40 FKAB Cc1c(-c2ccc(Cl)c(Cl)c2)n[nH]c1-c1ccc(Cl)c(Cl)c1 12357844 FLEPPOPWTCPEKO-UHFFFAOYSA-N 372.082 6.666 0 40 FKAB O=C1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)c2sccc2N1 12374456 APVFCLNKIQWGRF-KRWDZBQOSA-N 369.873 5.455 0 40 FKAB CCc1cccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c12 12641063 OREJRLQOURRRJT-UHFFFAOYSA-N 363.464 6.454 0 40 FKAB CCC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 12814727 CBIPZCCCAWWPAC-QGZVFWFLSA-N 356.516 5.072 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 12864725 RMAOVQQWUZKFKG-WYMLVPIESA-N 363.432 6.169 0 40 FKAB CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 13408867 OLFAUBNLGRKABZ-OEQVYJHJSA-N 360.538 5.037 0 40 FKAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3ccc4ccccc4c3)cc21 13695336 AXJZZLZKLSEYJC-UHFFFAOYSA-N 372.468 5.027 0 40 FKAB CCOc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1 13820644 YDPHBDAWBFNUGD-UHFFFAOYSA-N 362.498 5.161 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc4ccccc34)o2)cc1 15867468 NDEKJFIEFLRIMB-UHFFFAOYSA-N 371.436 5.680 0 40 FKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)Cc1ccccc1 17334386 XQXIMEXVLMQLRR-UHFFFAOYSA-N 356.878 5.044 0 40 FKAB COc1ccc2nc(C)c(C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)cc2c1 24455573 ZZSACXVIGRSSBI-AWEZNQCLSA-N 368.864 5.038 0 40 FKAB CN(C(=O)c1csc(-c2cccs2)n1)[C@H]1CCCc2ccccc21 29258660 FKCVKGXYMYBCQG-INIZCTEOSA-N 354.500 5.021 0 40 FKAB CC(C)(C)C(=O)N(Cc1cccc2[nH]ccc12)Cc1cccc2[nH]ccc12 30825569 OQFWZVAWSOPUOQ-UHFFFAOYSA-N 359.473 5.224 0 40 FKAB Cc1cc(C)cc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c1 32838773 FYIKANIAPOQHRT-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB O=C1CCc2c(OCc3csc(-c4ccccc4Cl)n3)cccc21 32883573 URRALGMEJSAKJV-UHFFFAOYSA-N 355.846 5.171 0 40 FKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(OC)cc1 44946479 OHDKAZFODUBKKH-QEQIRTOISA-N 361.441 5.096 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1Cl 96171012 IMQOAZUTHBIDSY-UHFFFAOYSA-N 365.138 5.536 0 40 FKAB ClC1=C(Cl)[C@]2(Cl)C(c3ccccc3)=C[C@]1(Cl)C2(Cl)Cl 104355395 YTYROSMTUXHMPY-VXGBXAGGSA-N 374.909 5.916 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225665410 IJRROPUHENNOKO-NRJQMVOHSA-N 361.526 5.486 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225700758 ZKUITJYALIPEEY-HSZRJFAPSA-N 369.505 5.498 0 40 FKAB CC/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253492239 PCFLWNUQAQQXOU-GXAMGYGHSA-N 358.566 6.297 0 40 FKAB CCCc1nc(CCC2CCCCC2)c(C(=O)O)cc1-c1ccccc1F 257289679 PZTUCMHJJHFNKP-UHFFFAOYSA-N 369.480 6.051 0 40 FKAB Oc1ccc(OC/C=C\c2ccccc2)cc1-c1c[nH]nc1-c1ccco1 604418463 KPLVEFAYZFUKMJ-YWEYNIOJSA-N 358.397 5.135 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(C)c(OC(=O)c3cccc(C)c3)c2)c1 682977 CZCKUSFIQJTRPW-UHFFFAOYSA-N 359.425 5.083 0 40 FKAB aggregator CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@H](c2ccc(Cl)cc2)OC1=O 718775 ZMAXBBYQEMBHRA-SFHVURJKSA-N 370.832 5.095 0 40 FKAB CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(C(F)(F)F)c1 976802 IGBYQFXNZLAFAQ-UHFFFAOYSA-N 361.363 5.559 0 40 FKAB COc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)c2ccccc12 1385891 DFUSOVKMCNZCRI-UHFFFAOYSA-N 363.804 5.146 0 40 FKAB CC(C)(C)c1sc(C(C)(C)C)c(-c2ccccc2)c1Br 2172972 NTSDFEHTHRPKSY-UHFFFAOYSA-N 351.353 6.773 0 40 FKAB Cc1c(-c2cc(=O)oc3ccc(C(C)C)cc23)oc2ccc(Cl)cc12 2235300 MEMSTLFHGKDLPA-UHFFFAOYSA-N 352.817 6.291 0 40 FKAB biogenic O=C(Nc1cc(Cl)ccc1Cl)C1c2ccccc2Oc2ccccc21 2738615 XDAIKXHQAKUWCL-UHFFFAOYSA-N 370.235 5.870 0 40 FKAB Cc1nn(C)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c12 2740899 QTDQVIVQNWHVPR-UHFFFAOYSA-N 360.166 5.269 0 40 FKAB CCCC(CCC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C 2961605 YGACUCCYDNSSPO-UHFFFAOYSA-N 367.518 5.822 0 40 FKAB O=C1O[C@@H]2CCCC[C@@H]2C2(CCCCC2)[C@@H]1CCCCNc1ccccc1 3999239 OZRXHOCLDHJQJT-BHDDXSALSA-N 369.549 5.951 0 40 FKAB biogenic O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Cl)cc1 4294099 MXGDTRGSVGAKMH-UHFFFAOYSA-N 362.841 5.849 0 40 FKAB CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 4649102 PLRLWFIFTLXNRP-UHFFFAOYSA-N 364.367 5.086 0 40 FKAB Clc1ccc(C2=NN3[C@H](C4CCCCC4)Oc4ccccc4[C@H]3C2)cc1 4854016 PWCMHOUWWCOYKL-IRLDBZIGSA-N 366.892 5.790 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(F)cc23)cc1C 4970228 WYEYVSAILMOTRI-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)o1 5792406 CHINMNASKIKSIY-UHFFFAOYSA-N 353.849 6.284 0 40 FKAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 6286819 ZIHHLBNRAJPPPU-UZNLNLPZSA-N 352.305 5.328 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2nc(C)ccc12 8072059 XWTHBKOVQFGJEF-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB CC(=O)c1cccc(NC(=O)c2ccccc2SCc2cccs2)c1 9155759 WYQGBIUTNMQSJX-UHFFFAOYSA-N 367.495 5.495 0 40 FKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc2ccccc2s1 9956038 KDYBWUOFULUPLD-UHFFFAOYSA-N 366.273 5.267 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1sc(-c2ccccn2)nc1C 12889792 AMBXNNGIEVFOAW-UHFFFAOYSA-N 351.475 5.198 0 40 FKAB Clc1ccccc1-c1nc(CN2CC=C(c3ccccc3)CC2)cs1 13042505 LZCRZOXPSSYACL-UHFFFAOYSA-N 366.917 5.753 0 40 FKAB CCCCNc1nc(Nc2ccccc2C)c2cnn(-c3ccccc3)c2n1 17270483 OYBFZHFEZKJJIU-UHFFFAOYSA-N 372.476 5.080 0 40 FKAB Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccccc4Cl)C3)o2)s1 19217631 RFEDRXNXWFBWDQ-OAHLLOKOSA-N 373.909 5.140 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(Cl)c1 20110158 ZDCAHQHVTXPIOM-IBGZPJMESA-N 357.812 5.428 0 40 FKAB CC[C@@]1(C)C(Nc2c(C)cccc2C)=NC(=S)N1c1ccccc1OC 23002836 DGFUOCOIZDBUQG-NRFANRHFSA-N 367.518 5.096 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)c1csc(-c2ccc(Cl)cc2)n1 25470304 LBOLLGSJWGYBHT-GFCCVEGCSA-N 354.862 5.055 0 40 FKAB CCc1cc(Br)c2oc(-c3ccc(N)c(Cl)c3)nc2c1 45954143 RMLCSEZKVOTFCV-UHFFFAOYSA-N 351.631 5.055 0 40 FKAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 46798421 FFHKSESJQFUPFX-KRWDZBQOSA-N 372.490 5.072 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2F)s1 58378287 PSVGYTJFFHPJKB-UHFFFAOYSA-N 363.841 5.285 0 40 FKAB COc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 61429669 TVEWAWWABXIMOB-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB O=C(NCc1csc2ccccc12)NCc1csc2ccccc12 61989734 CEDPNEMPPDMOGS-UHFFFAOYSA-N 352.484 5.115 0 40 FKAB CCCCN1C(=O)CC[C@@H](Sc2ccc(C)cc2)[C@H]1c1ccccc1 65090596 BJNJORPGGUCFBV-IFMALSPDSA-N 353.531 5.620 0 40 FKAB CCCCCC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 102112571 OSFNDDZNYOZTMY-QHCPKHFHSA-N 374.488 5.041 0 40 FKAB CCSc1ccccc1C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219648411 ZJNWMRRJDIKZQD-LJQANCHMSA-N 357.519 5.324 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223072630 XXKNNJRYHGERCE-VFNWGFHPSA-N 371.908 5.254 0 40 FKAB CCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225686836 HQTXWGLLFWSGIU-QFIPXVFZSA-N 355.478 5.026 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1C 226303031 VTOTVFHAEZTNSG-UHFFFAOYSA-N 365.439 5.378 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226343392 FQWYYSDKWWAOQJ-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248332406 IRMKYIKRTDTRSN-YMTGICSTSA-N 361.485 5.387 0 40 FKAB COc1c(C)cccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 408621145 JXRBMPAHAKNDQM-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccs1 408622623 PSKMFUDZHDTRJT-UHFFFAOYSA-N 370.433 5.962 0 40 FKAB Cc1nc2sc(C(=O)Nc3ccc4ccccc4c3)c(N)c2c(C)c1C 691673 OCQWVZBORNSPRI-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)c2c(C)c(C)sc2n1 784670 ASUCWPPWZGYXAU-UHFFFAOYSA-N 362.907 5.245 0 40 FKAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 952838 WEFZICZZSWZEBP-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB Cc1ccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccccc23)cc1 1020509 MVXMZMCBAWUUQE-UHFFFAOYSA-N 369.468 5.500 0 40 FKAB Cc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1C 1410837 WZHCOLDWOVLLFV-UHFFFAOYSA-N 374.553 5.812 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccccc1Cc1cccc2ccccc12 1654310 KHVMPHIHUSFNJB-UHFFFAOYSA-N 356.852 6.315 0 40 FKAB COc1ccccc1[C@@H](Nc1ccc(C)c(C)c1)c1c(C)[nH]c2ccccc12 2546272 GFNWEMKFJXPBGO-RUZDIDTESA-N 370.496 6.303 0 40 FKAB Cc1ccccc1OCCC(=O)NCCC(c1ccccc1)c1ccccc1 2655291 HJMRFTUDMBIJTM-UHFFFAOYSA-N 373.496 5.102 0 40 FKAB O=C(N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl)Oc1ccccc1 3013832 GQEHNSNGTVUVMC-CYBMUJFWSA-N 362.615 5.026 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c(C(F)(F)F)c1 3366033 VNSSBKSYOQAQCT-UHFFFAOYSA-N 352.743 5.021 0 40 FKAB CC1(C)Cc2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2O1 3416134 PNIYMOPGCHZMSL-UHFFFAOYSA-N 369.424 5.198 0 40 FKAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(Cl)c1 4106621 FBPAWDCIVGCOQK-UHFFFAOYSA-N 369.877 5.023 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5471419 RCTJZBGMYUHAGB-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 5500126 QPIQDBVRFSKAOC-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1cccs1 5898304 CSUXPXBAMPAEQI-UHFFFAOYSA-N 359.809 5.024 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1 6085567 NVUMKBHOHFPKSC-UHFFFAOYSA-N 363.460 5.873 0 40 FKAB Cc1ccc([C@@H](NCc2coc(-c3cccs3)n2)c2ccccc2)cc1 7542008 VWCMWKUNCFDBMY-NRFANRHFSA-N 360.482 5.591 0 40 FKAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc2ccccc12 8553932 LPQCTSHCWXDLJT-UHFFFAOYSA-N 367.861 5.100 0 40 FKAB COc1ccccc1C1(NCc2cnc(-c3ccccc3C)nc2)CCCC1 12328552 RHSMJWDAEATWFV-UHFFFAOYSA-N 373.500 5.020 0 40 FKAB C=C1/C=C/C(C)(C)C[C@H](OC(=O)c2ccc(O)c(OC)c2)C/C(C)=C/CC1 12362723 ORHIUFMZSVDUJM-QSIQJFKDSA-N 370.489 5.585 0 40 FKAB CC(=O)Nc1ccc2c(-c3oc4ccc(Cl)cc4c3C)cc(=O)oc2c1 12920766 DFBGGISQTTYXDR-UHFFFAOYSA-N 367.788 5.126 0 40 FKAB Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)CCc1ccccc1-2 12970735 HMBIIUXAMDXIQI-UHFFFAOYSA-N 359.831 6.460 0 40 FKAB Fc1ccccc1CNc1ncc(-c2ccsc2)c(-c2nccs2)n1 13267014 YQTIKUWEHBMFNW-UHFFFAOYSA-N 368.462 5.080 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 22537976 QYLQLCIIYLPRQY-HXUWFJFHSA-N 357.497 5.621 0 40 FKAB Cc1ccn2c(NC(=O)c3ccccc3)c(-c3ccc(Cl)cc3)nc2c1 26687866 JQLHSKKKZHMEBE-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB Cc1ccc2c(Nc3ccccc3C(C)C)c(C(=O)N3CCCC3)cnc2n1 49004645 RBDVCXAIBZFRRL-UHFFFAOYSA-N 374.488 5.041 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)cc1 57477031 LIWNKRZABRURAA-UHFFFAOYSA-N 369.424 5.430 0 40 FKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ccc(O)cc1)c1ccccc1 59352108 MGCZXRWDASGAQI-JOCHJYFZSA-N 359.450 5.590 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 78458628 LVTHAMOQEJCXPZ-QRWLVFNGSA-N 359.897 5.246 0 40 FKAB Fc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 101175799 DLBVPRQTWXQVBV-JOCHJYFZSA-N 368.415 5.140 0 40 FKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 118936151 GXQXPGFEGWVXMR-DHWJQLPESA-N 360.582 5.191 0 40 FKAB O=C(CSCc1ccccc1F)Nc1ccccc1Oc1ccccc1 222703560 JDSIDRPCUSHIPG-UHFFFAOYSA-N 367.445 5.490 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl 222841049 VCBYRYVMQPLFSA-NSHDSACASA-N 372.679 5.039 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223096232 KFRLLSXPIQMPAJ-VGSWGCGISA-N 365.517 5.163 0 40 FKAB O=C(CCc1cccc2ccccc12)NCCOc1cccc2ccccc12 223569912 GMWIXEWOUSNCHF-UHFFFAOYSA-N 369.464 5.121 0 40 FKAB S=C(Nc1ccc(Sc2ccc(Cl)cc2)nc1)NC1CCCC1 224035845 OPBRUYFMGZEZSD-UHFFFAOYSA-N 363.939 5.115 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1C 224120501 GRMOHYVSXKCCQN-WIYYLYMNSA-N 353.506 5.462 0 40 FKAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(C)C 224370713 DRVDUTYXYALOCS-UHFFFAOYSA-N 361.507 5.051 0 40 FKAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225827808 MGWXVWGPXWWXMZ-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2cccnc12 225865535 XYGMHJSHZBLXKL-UHFFFAOYSA-N 374.484 5.474 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2oc1=O 226041421 JUFFIXIRIGFEPN-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB CCc1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 257319687 VTPMYUBFCGDCQV-KAGYGMCKSA-N 354.465 5.638 0 40 FKAB CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238322 GDNCPMQDMBBSRP-WUUBBFJUSA-N 374.521 5.018 0 40 FKAB Cc1ccc2cc3c(N)c(C(=O)Nc4cccc(C)c4C)sc3nc2c1 899147 VQILPWDPTMJFFH-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB Cc1cc(C)cc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)c1 2119300 IFROAPURQPKYKD-LKUDQCMESA-N 369.420 5.678 0 40 FKAB biogenic O=C(N[C@H](c1ccccc1)C1CCCC1)C(c1ccccc1)c1ccccc1 2216406 WVPNPILUAUNBDT-RUZDIDTESA-N 369.508 5.866 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 3065308 NCOMOIZHQSZHOU-UHFFFAOYSA-N 364.257 5.761 0 40 FKAB O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2)N1CCCC1 4537927 PCXUKFJMKJCKEX-CWMDWYMSSA-N 372.512 5.219 0 40 FKAB CCCCc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 5234436 HWJPIVRWVIKTQZ-LJQANCHMSA-N 368.502 5.284 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 5274719 LJLZIDAFRNZQGN-YVEFUNNKSA-N 374.937 5.407 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccn2)nc2ccccc12 5520650 UPAZBZOLYCXNNP-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc3ccccc23)n1 5957508 BFZYOMFGUNUKJA-UHFFFAOYSA-N 352.393 5.323 0 40 FKAB biogenic C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1 6235556 OQKJBCMONAKWOQ-XMSQKQJNSA-N 372.468 5.044 0 40 FKAB CC(C)c1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 6239508 IHNOAUXMVCWBIS-UHFFFAOYSA-N 354.397 5.518 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)c1oc2c(Cl)cccc2c1C 6307156 ZLKIKPOFMOYJDI-UHFFFAOYSA-N 364.228 5.617 0 40 FKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 6455519 QEWRLWWZHNJUOG-SNVBAGLBSA-N 370.699 5.222 0 40 FKAB O=C(CSC/C=C/c1ccccc1)Nc1ccccc1C(F)(F)F 7150290 ZAIMAOZDGLDLTC-RMKNXTFCSA-N 351.393 5.091 0 40 FKAB CCCCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 7260953 RBFKEXXLXFJFBY-UHFFFAOYSA-N 365.492 6.228 0 40 FKAB CCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 7262355 RGCRAORYGHPCBZ-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB COc1ccccc1-c1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 7846142 WRAMNCKHUTVTPK-UHFFFAOYSA-N 367.499 5.350 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)Cc3c(C)noc3C)cc2)cc1C 8305056 YYYBKYPCQLCQLT-UHFFFAOYSA-N 366.486 5.241 0 40 FKAB Cc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2n1 8798718 IOMJFQMMSHKLDL-UHFFFAOYSA-N 354.715 5.061 0 40 FKAB Cc1nn(-c2cccc(F)c2)c2c1[C@@H](c1ccc3ccccc3c1)CC(O)=N2 9051079 ZAYSTQVTGVFEBX-HXUWFJFHSA-N 371.415 5.597 0 40 FKAB CCOc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3c(C)cccc32)cc1 9227208 BGXOWAQUXIEJIN-HSZRJFAPSA-N 351.490 5.235 0 40 FKAB COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3c(C)cccc3C)c2c1 11866475 MDNBELDCBXXGJZ-UHFFFAOYSA-N 371.436 5.978 0 40 FKAB biogenic C1CCC(CCCO[C@H]2OCCO[C@@H]2OCCCC2CCCCC2)CC1 12618368 KLEJPDQZUKOUTD-VXKWHMMOSA-N 368.558 5.440 0 40 FKAB CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@H](C)CC[C@@]12C 13402357 QSEIUMVWJJWZJP-UBPXTSFGSA-N 364.526 5.219 0 40 FKAB biogenic,in-vitro Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(Cl)c1 14257886 ICYYMKFTKCODBK-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC(C)c1ccc(O[C@@H](C)CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 19738599 OZCRGGPSQZMBPR-MBSDFSHPSA-N 369.505 5.247 0 40 FKAB COc1ccc(-c2cnc(SC)n2-c2cccc(C(F)(F)F)c2)cc1 44087710 PKIJLFVNUXRLTE-UHFFFAOYSA-N 364.392 5.289 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc3ncccc3c2)cc1 58014396 MMHVEWZHBGRVFO-UHFFFAOYSA-N 370.408 5.288 0 40 FKAB CC(C)Sc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72217536 WAONWYRQUCEBRK-SFHVURJKSA-N 356.491 5.056 0 40 FKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 75282954 PUXGCAQLLAAMST-UHFFFAOYSA-N 351.833 6.001 0 40 FKAB CCCCCN(CCCCC)CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 104032514 SOZHRVNSGBVVPJ-JQVVWYNYSA-N 351.575 5.427 0 40 FKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1 216572700 SVXVKRYWQBSVQN-HOTGVXAUSA-N 357.881 5.322 0 40 FKAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 218960665 SKZGYSHUJJCZCE-KRWDZBQOSA-N 353.506 5.364 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219297921 LAKFXNXDAQLDQT-KRWDZBQOSA-N 367.489 5.537 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224234766 ABUZXPMRLNYMGE-QGZVFWFLSA-N 369.505 5.316 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COCC(C)C 224447830 XMRYILAGOCIZIY-UHFFFAOYSA-N 355.478 5.244 0 40 FKAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccc(C(C)(C)C)cc1 224517786 KHRBLOXEMUVZLU-UHFFFAOYSA-N 369.505 5.100 0 40 FKAB Cc1ccccc1O[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225130365 HBFRHWYMRSJOLC-FQEVSTJZSA-N 364.466 5.221 0 40 FKAB CC(C)Oc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225578573 VYCLUKBGONZNFK-SFHVURJKSA-N 370.518 5.063 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1SC 225712898 XXCPXKZTHWMEKX-IBGZPJMESA-N 355.503 5.083 0 40 FKAB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cn1 253369880 JHTFPRFKUMCPIU-RZZHNXQKSA-N 368.565 5.207 0 40 FKAB CCCc1sc(Nc2ccc(C)cc2)nc1-c1ccc(OC)c(OC)c1 408755243 IURPHMMOCCQXKS-UHFFFAOYSA-N 368.502 5.832 0 40 FKAB Clc1ccccc1Cn1cc(-c2nc3ccccc3s2)c2ccccc21 409191664 KFNQDSCYEXZNAZ-UHFFFAOYSA-N 374.896 6.620 0 40 FKAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(OCC)cc1 955143 ULNVBMCKRPAGSZ-UHFFFAOYSA-N 364.445 5.116 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1C 1518296 UPZVWWKGVSOWRZ-UHFFFAOYSA-N 364.879 5.094 0 40 FKAB Cc1ccc(-c2cc3ccccc3nc2Sc2cccc(Cl)c2)cc1 3049446 IJVBXOJVOTVLBA-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB CCCCc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 3454826 YWFFXIIXKNZCCP-UHFFFAOYSA-N 352.503 5.600 0 40 FKAB Cc1ccc(/C=C(\Oc2cccc(C)c2)c2nc3ccccc3s2)cc1 3849569 JXQXBLKDUYAUKJ-QNGOZBTKSA-N 357.478 6.490 0 40 FKAB O=c1[nH]c(SCc2ccc(F)cc2)nc2scc(-c3cccs3)c12 4408095 ICRYKUIDOVCQRN-UHFFFAOYSA-N 374.487 5.145 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2sccc2C)N3)C1 4554593 QYSKWWAONSUICW-SJKOYZFVSA-N 374.575 6.088 0 40 FKAB O=C(Nc1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 4671234 VBTSCMODRKYYAE-UHFFFAOYSA-N 371.465 6.121 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2OC)cc1 4869618 CNLHXGLUVCVAQE-DTQAZKPQSA-N 370.452 5.272 0 40 FKAB aggregator CCOc1ccc2c(ccc(/C=C\c3ccc(O)c4ccccc34)[n+]2C)c1 5049316 YSGBQZKPTJTFPJ-UHFFFAOYSA-O 356.445 5.092 0 40 FKAB CN1c2ccccc2[C@@H](c2ccccc2)c2ccc(Nc3ccccc3)cc21 5852282 KRTADEDZLCEZRZ-AREMUKBSSA-N 362.476 6.692 0 40 FKAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 6200876 INRLSJRKCZHBTO-UHSVVUDUSA-N 351.412 5.040 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C(Cl)(Cl)Cl 6238232 WUFIAWVYHNHLBK-UHFFFAOYSA-N 371.676 5.272 0 40 FKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccccc1 6351097 BTORMHBTBSPSAO-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1cccc(OCCCn2c(/C=C/c3ccco3)nc3ccccc32)c1 6394175 RVWVRKYXIYNTEU-OUKQBFOZSA-N 358.441 5.577 0 40 FKAB COc1ccc2nc(NC(=O)c3sccc3-c3ccccc3)sc2c1 6510607 AYFUCGOIVDAJSC-UHFFFAOYSA-N 366.467 5.286 0 40 FKAB CC(C)(C)c1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)on1 6648492 FNXSSTCMNWEMSC-IBGZPJMESA-N 366.486 5.444 0 40 FKAB COc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)c(OC)c1OC 7155437 WSPCTKDODDPCCJ-ZRDIBKRKSA-N 367.470 5.315 0 40 FKAB Cc1ccc2c3c(sc2n1)-c1nc2ccccc2n1[C@@H](c1ccco1)N3 12321727 JODKDVKLHNZMEM-SFHVURJKSA-N 358.426 5.187 0 40 FKAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)cc1 12567298 DECAMEFOUCDTFZ-CYBMUJFWSA-N 367.832 5.102 0 40 FKAB O=C1CCc2cc(Oc3nc(-c4ccsc4)nc4ccccc34)ccc2N1 12847302 KQZMOGSZIDZMAD-UHFFFAOYSA-N 373.437 5.035 0 40 FKAB Cc1ccc(CN(C)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)o1 12914369 JEMXEERYXIMLSW-UHFFFAOYSA-N 372.424 5.182 0 40 FKAB Cc1nc(N[C@@H](C)c2ccccc2Cl)c2c3c(sc2n1)C[C@H](C)CC3 13057282 MSJPETBQYNLPPF-NEPJUHHUSA-N 371.937 5.951 0 40 FKAB CC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13636481 VHTNZIIBDZALGY-SNVBAGLBSA-N 367.301 5.244 0 40 FKAB CC(C)CCNc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 17113139 ANYAOGYWSQVEQV-UHFFFAOYSA-N 372.476 5.017 0 40 FKAB CCCN(CCC)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18275871 MICVLMYCAYTSLS-UHFFFAOYSA-N 354.881 5.475 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1 21017391 VYSRYXBWHFPMSA-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Cc1ccc(NC(=O)c2cccnc2Nc2ccc(C(F)(F)F)cc2)cc1 22053754 JBJGSECFXBKJKA-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2NC(=O)c2ccccc2)cc1 27018885 GJYSYYJTJGOWFO-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB Cc1cc(Br)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 36318662 CATVVNVXOIDWST-UHFFFAOYSA-N 356.050 5.379 0 40 FKAB Cc1ccc(-c2cnc(SCC(C)C)n2-c2cccc(Cl)c2)cc1 44087292 JAWVAQYBLGYLBE-UHFFFAOYSA-N 356.922 6.249 0 40 FKAB CCCCc1ccc2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57352899 CNHPPTNQPLQGQU-UHFFFAOYSA-N 365.502 6.647 0 40 FKAB CN1CCCc2cc(NC(=O)c3sc4cc(F)ccc4c3Cl)ccc21 64847546 PLSYLCGKHQTLHM-UHFFFAOYSA-N 374.868 5.329 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212055 SUDALWROIZHPJP-QFIPXVFZSA-N 372.468 5.028 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1C 224556334 CSRTUCXOCGACNL-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(C)c1 225476198 SYQIVYZJUYYUAI-XLIONFOSSA-N 369.505 5.162 0 40 FKAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225620429 XJAMOBATUKELNY-QFIPXVFZSA-N 355.478 5.108 0 40 FKAB CC(C)c1nc(CCc2ccccc2)c(C(=O)O)cc1-c1ccccc1F 257301560 RYZDOOXKMJZJRC-UHFFFAOYSA-N 363.432 5.495 0 40 FKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccccc1F 409110951 HNEDGDUDVBIXDK-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Clc1ccc(SCc2nc3ccccn3c2Br)cc1 721036 ZWMCHKMBTWPJTA-UHFFFAOYSA-N 353.672 5.043 0 40 FKAB CCc1nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c2c1CCCC2 841928 PDZXSQWNYCSGSQ-UHFFFAOYSA-N 370.905 5.204 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)OC)cc2)nc1-c1ccccc1 845836 WIUMYBQBAJVRLN-UHFFFAOYSA-N 352.459 5.293 0 40 FKAB COc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)cc1OC 1074189 JJCJGUXTSAOADW-UHFFFAOYSA-N 364.489 5.691 0 40 FKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccs1 1107609 QOGRVUVXQWIZGG-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB COc1ccccc1[C@H](Nc1ccccc1F)c1c(C)[nH]c2ccccc12 1298087 BKKALZKXSYLBSO-QHCPKHFHSA-N 360.432 5.826 0 40 FKAB C[C@H]([C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C 1758861 IFPVPHDPCJQNOZ-DVECYGJZSA-N 373.496 5.053 0 40 FKAB COc1ccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCCC5)cc1 2087427 VXHOWJMSVNAOSA-UHFFFAOYSA-N 360.409 5.402 0 40 FKAB biogenic Clc1ccc2nc(CSc3nc4ccccc4o3)c(Cl)n2c1 2268719 VVZDICWJZOEGAY-UHFFFAOYSA-N 350.230 5.075 0 40 FKAB CCn1nc(C)c2c(C(F)F)cc(-c3ccc(Br)cc3)nc21 2732411 FRRQGQVOQFKFHX-UHFFFAOYSA-N 366.209 5.127 0 40 FKAB O=C(CSc1ccccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 3315159 PHKMZBVPCYNHKA-UHFFFAOYSA-N 365.483 5.022 0 40 FKAB CC(C)(C)c1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 3904700 GLSKFOQHISHDAZ-OBGWFSINSA-N 366.508 6.553 0 40 FKAB CCCCc1ccc(NC(=O)CSc2cn(CC)c3ccccc23)cc1 4060539 NWYKNOWZXHYYIM-UHFFFAOYSA-N 366.530 5.735 0 40 FKAB Cc1ccccc1N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O 4589890 FCJMUTUVGPPUQN-UHFFFAOYSA-N 371.480 5.263 0 40 FKAB O=C1O[C@](Nc2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 4601978 QHVXLMCKAUATNR-HXUWFJFHSA-N 370.235 5.477 0 40 FKAB Cc1nn2c(C(F)(F)F)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 4739353 YSOPPOSHKFUIFZ-UHFFFAOYSA-N 367.802 5.674 0 40 FKAB Clc1ccc(CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 5626249 OBKYREAEPMNVOJ-UHFFFAOYSA-N 360.288 5.249 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 6048906 FYGJEIZZTLRYDB-IBGZPJMESA-N 366.486 5.223 0 40 FKAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1C 6276108 RJVUQMYSVKHPGT-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB CCCCn1c2ccc(Br)cc2c2cc(NC(C)=O)ccc21 7089652 VTPYHUHSLPINRB-UHFFFAOYSA-N 359.267 5.316 0 40 FKAB CC(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 7134855 NYGKTQYXJXPQJY-UHFFFAOYSA-N 357.500 5.010 0 40 FKAB CCCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 7262353 RQFUGUHYYIJSKY-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 8550150 VYFCYRCBZXTROZ-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB OC1=Nc2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2C(F)(F)F)C1 13691671 YNRGSPOXVZFPKF-ZDUSSCGKSA-N 357.335 5.219 0 40 FKAB C[C@H](NCC(=O)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 14250685 NDWUQIJNCQSOLB-AWEZNQCLSA-N 372.390 5.148 0 40 FKAB CCOc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1Cl 14258009 DXZDYNCJWZGXDO-UHFFFAOYSA-N 360.866 5.218 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 14258042 YHBGXJLDEXMREN-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2)cc1 16480547 ULUMSUVFNWJJOD-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB O=C(Nc1nc2c(ccc3ccccc32)s1)Nc1ccc(F)cc1F 16526148 BWGCUVLJVKVACX-UHFFFAOYSA-N 355.369 5.372 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 20040652 NGCASULSWWPTEU-JOCHJYFZSA-N 361.510 5.860 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 20049581 CATWMGGAZMPVHC-JCRIEJSWSA-N 357.881 5.265 0 40 FKAB C[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc2ccccc2c1 33040090 GSYXGONAGCCDRU-UONOGXRCSA-N 370.855 5.310 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 44904784 WXHQWNHGKZPTFG-SFHVURJKSA-N 373.374 5.655 0 40 FKAB Cc1c(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)oc2ccc(Cl)cc12 58306580 GQSYZPSCMFIZOI-OALUTQOASA-N 369.848 5.045 0 40 FKAB CCN(C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 72285572 VHIWTGYTDYMMGX-OAQYLSRUSA-N 366.411 5.608 0 40 FKAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)n2)cc1 72357605 ZPWFDRJXXRIHPP-QHCPKHFHSA-N 374.459 5.097 0 40 FKAB c1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)cc1 72380357 LPDNLOYBIBDEJW-OAQYLSRUSA-N 368.484 5.005 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2ccsc2)CC1 75157184 XONPNYNILPHDBO-UHFFFAOYSA-N 354.397 5.178 0 40 FKAB Cn1c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)nc2ccccc21 95116649 LRWGGMAAQBHKNA-UHFFFAOYSA-N 369.855 6.109 0 40 FKAB O=C(NCc1ccccc1)c1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 95117553 KTXGVRXBKIQPFY-UHFFFAOYSA-N 374.509 5.220 0 40 FKAB Cl/C(=C/c1ccc(Br)cc1)c1nc(-c2ccsc2)no1 97998964 DQNOQQBLXOCVSE-KPKJPENVSA-N 367.655 5.298 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 147167218 YQUYBSZRZWXRTH-UHFFFAOYSA-N 374.937 5.451 0 40 FKAB CCCC[Sn](CCCC)(CCCC)/C(C)=C\CO 195860063 PBOXKNHPWLMREP-UHFFFAOYSA-N 361.158 5.313 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219053195 MLWBNTXXKAJJKI-CABCVRRESA-N 359.897 5.282 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 223019570 BHLAHFWNFWKNSY-MRXNPFEDSA-N 372.679 5.751 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)c(C)c1 224185336 IIJDEYQNTUHBJK-CQSZACIVSA-N 365.901 5.207 0 40 FKAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCCC1 225829389 FSYCDSTZRAPYKE-INIZCTEOSA-N 355.478 5.305 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c2ccccc12 225844214 CTPUHFGHVMVONP-HSZRJFAPSA-N 371.521 5.943 0 40 FKAB CCOc1cccc2c1OC(C)(C)[C@H]1CC[C@H](CCc3ccccc3)O[C@H]21 257292046 QJSMWYJEHYSMRT-RCZSKKKRSA-N 366.501 5.725 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NC3CCCCCC3)cc2)cc1 408544643 IFMOWRUSZWJUNV-UHFFFAOYSA-N 353.531 5.740 0 40 FKAB CC(C)COc1ccc([C@@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 822595 ZWVOOYMMRUJKIY-DNQXCXABSA-N 367.533 5.025 0 40 FKAB CC(C)(C)c1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1 1342556 WIOORHUQXURMNI-UHFFFAOYSA-N 354.450 5.041 0 40 FKAB Cc1ccc(-c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 1414064 FRSUIUGYPYTTSC-UHFFFAOYSA-N 371.337 5.530 0 40 FKAB O=C1O[C@@H](Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc21 2197648 ZVYQZUUOZHKEBN-LJQANCHMSA-N 358.422 5.244 0 40 FKAB Cc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1Cl 2629379 XNPZGNFOZAPDNC-UHFFFAOYSA-N 352.890 6.124 0 40 FKAB CC(C)CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3252422 SFIMTPMLZBCKJJ-UHFFFAOYSA-N 368.864 5.396 0 40 FKAB COc1ccc(CNc2cccc(-c3nc4ccccc4o3)c2)cc1OC 3668810 OPZYNWXFQNVACN-UHFFFAOYSA-N 360.413 5.124 0 40 FKAB Cc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1 3899680 BVUXMMNJQACRST-HSZRJFAPSA-N 365.436 5.135 0 40 FKAB C[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4477927 AQYWHUJCPVLQLO-JSKMBAMBSA-N 371.524 5.414 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 4659225 XIELUMGXCBVARM-CYBMUJFWSA-N 350.289 5.934 0 40 FKAB Clc1cccc(Cl)c1CSc1nc(-c2ccccc2)cs1 5948111 YUOOLVJQLXFIHJ-UHFFFAOYSA-N 352.311 6.409 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Cl 6026656 SWRNUWLGKGJEAJ-UHFFFAOYSA-N 372.896 5.227 0 40 FKAB O=C(O)c1ccccc1N(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 6240592 CDVYGLXDIQXUKO-UHFFFAOYSA-N 366.804 5.408 0 40 FKAB Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccccc1Cl 8475572 AUSUBTIZWSZJQU-UHFFFAOYSA-N 373.283 5.390 0 40 FKAB O=C(Cc1cccs1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185237 YOAPFVCLEUNUNS-MRXNPFEDSA-N 372.515 5.151 0 40 FKAB Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 12250926 IJXNTEUARVESGR-UHFFFAOYSA-N 359.454 5.106 0 40 FKAB O=C1C[C@@H](c2cccc(OCc3ccccc3Cl)c2)c2sccc2N1 12375565 YUZRUGSTYTUUET-INIZCTEOSA-N 369.873 5.455 0 40 FKAB Cc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 12523959 RGBLNYFBOVXZDS-VHXPQNKSSA-N 356.494 6.055 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1cccc(NC(=O)[C@H](CC)CCCC)n1 13968193 YZNFGYXZMITNBD-CALCHBBNSA-N 361.530 5.391 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20451615 UWFWMYMIOQJDBM-SFTDATJTSA-N 369.505 5.065 0 40 FKAB CCc1nn2c(Nc3ccc(Cl)cc3)cc(C)nc2c1-c1ccccc1 27586257 DAKZCQCXVHINBR-UHFFFAOYSA-N 362.864 5.664 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 44885347 WPGQLVHZOUXQQM-AWEZNQCLSA-N 374.720 6.156 0 40 FKAB O=C(CSc1nc2ccc(Cl)cc2o1)N(C1=CCCCC1)C1CC1 58392363 GIQXXXNIBHHUFY-UHFFFAOYSA-N 362.882 5.022 0 40 FKAB CC(C)=C1OC(=O)C(C)(C)[C@H]2C=C(/C=C/c3ccccc3)c3ccccc3N12 71789347 NEIVHDSOBDWYQG-JXVRESAISA-N 371.480 5.806 0 40 FKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)C 72214938 SUKNHVXKVYYYPU-GOSISDBHSA-N 361.530 5.167 0 40 FKAB COc1ccccc1Nc1cc(-c2ccccc2)c2ccc(Cl)cc2n1 75109536 BOLWSJVOKIDBIO-UHFFFAOYSA-N 360.844 6.307 0 40 FKAB Cc1noc2c1[C@@H](c1cccs1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102751816 ZXYJJGMUSQXLAA-VBKZILBWSA-N 362.454 5.652 0 40 FKAB Cc1cc2occ(CC(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c2cc1C(C)C 103012922 PSGPBLAJFRQSBM-WOCWXWTJSA-N 353.506 5.348 0 40 FKAB Cc1ccc(COc2ccccc2CNc2ccc(C)c(Cl)c2)cc1 106974668 MOYQYMKWPXCBPM-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)cccc2C)cc1 107726149 SEVPKMQBOODNLG-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CC(C)=CCC[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118932831 IWHFMVBOQJXVPS-NHOSZNIPSA-N 372.637 7.143 0 40 FKAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1Cl 193404997 AMYVTQPLSSYKII-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 222972407 GEQNMKVBCMPGJB-RTWAWAEBSA-N 353.506 5.345 0 40 FKAB CCc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 225509197 OPSFBRKTCVKNSH-JOCHJYFZSA-N 360.526 5.633 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 225510506 KUOBAJIVSMLWSL-FQEVSTJZSA-N 368.452 5.349 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225554570 DXRBKHUXQBNAJR-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1Cl 225737185 CLJWXNXDZWJTDX-LJQANCHMSA-N 355.906 5.299 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225824322 VVSDIHXNTXJRSI-QGZVFWFLSA-N 361.404 5.028 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225847182 JPSOMSHYUSHBBN-QHCPKHFHSA-N 371.521 5.941 0 40 FKAB CCCCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 408762911 NAOFEUMRQYUOET-UYRXBGFRSA-N 369.848 5.254 0 40 FKAB Cc1cccc(-c2c3c(nc4c2[C@@H](O)c2ccccc2-4)CC(C)(C)CC3=O)c1 408979896 DHMJUVDIUWTHHY-DEOSSOPVSA-N 369.464 5.274 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H]3C[C@@H]3c3cccc(F)c3)sc2c1 1775977882 YMGPTSDPJIBOHN-CZUORRHYSA-N 373.880 5.536 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc(C)cc3)C2)cc1 1016826 OSMCJLRPRFJKKI-HXUWFJFHSA-N 360.482 5.356 0 40 FKAB CC(=O)Nc1c(C(=O)c2ccc(Oc3ccccc3)cc2)oc2ccccc12 1436817 GZMFLRPPDZBWKJ-UHFFFAOYSA-N 371.392 5.415 0 40 FKAB Cc1cc2c(=O)cc(-c3ccc(Cl)cc3Cl)oc2c(C(=O)O)c1C 1618457 FQCMFLQFGWYIGL-UHFFFAOYSA-N 363.196 5.082 0 40 FKAB Cc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1Cl 2118906 PLSKYEYZEBRYQD-UHFFFAOYSA-N 369.848 5.037 0 40 FKAB biogenic CC(C)=CCC/C(C)=C/COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2133855 KZCXEBBZROILCL-XMHGGMMESA-N 374.480 6.532 0 40 FKAB biogenic Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 2377683 LNSVTXYSEKNVSO-UHFFFAOYSA-N 361.470 5.265 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 2465518 KTTNDFBJUZZYFH-YWZLYKJASA-N 358.869 5.036 0 40 FKAB C[C@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 2714069 GVXOTDVIGCWGGU-SFHVURJKSA-N 368.484 5.324 0 40 FKAB O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1Cl 3248942 SDOYGHFFPGWTAR-UHFFFAOYSA-N 356.780 5.277 0 40 FKAB Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 3259358 DLQKFPGJYZXLMY-UHFFFAOYSA-N 357.478 6.609 0 40 FKAB COC(=O)c1c(C)n(-c2cccc(Cl)c2)c2c1cc(O)c1ccccc12 3634790 KKRJCXNGARKFEU-UHFFFAOYSA-N 365.816 5.238 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccccc1)c1ccccc1 3846322 XWATVSSARMZAFX-ZNEWLNCYSA-N 364.529 6.017 0 40 FKAB CC[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2C)s1 4174659 XHHRCEMCQQQEHY-MRXNPFEDSA-N 369.515 5.023 0 40 FKAB O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)C[C@H]1CC=CCC1 4195819 JEHYSAFUPPLRFZ-SFHVURJKSA-N 354.881 5.730 0 40 FKAB C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 4414711 XOVIGEUBTMKYRB-LBPRGKRZSA-N 358.463 5.069 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1cccc(NC(=O)[C@@H](CC)CCCC)n1 4622149 YZNFGYXZMITNBD-IRXDYDNUSA-N 361.530 5.391 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1Cl 4783658 YVLCSZUPOVRPKU-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(-c2c(NC(=O)c3ccco3)sc3ccccc3c2=O)cc1 5246024 IIPAWBYCDJXMIE-UHFFFAOYSA-N 361.422 5.082 0 40 FKAB c1ccc(-c2c(-c3cccs3)nc3ccccc3c2-c2ccccc2)cc1 5589916 JJVSWDFQWLATPO-UHFFFAOYSA-N 363.485 7.297 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC[C@@H](C)C2)c(C(C)C)c1 5672623 JOWGGWZAKQKXBV-QGZVFWFLSA-N 365.583 5.477 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(F)c(F)cc1Cl 6078047 NTTOMMYJWUZQRS-UHFFFAOYSA-N 357.787 5.461 0 40 FKAB Cc1sc2ncnc(SCc3ncc(-c4ccccc4)o3)c2c1C 6113382 BHMRPYUKYYZYOD-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 6923783 KGQTVZIDDKIPAU-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCCCn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544522 IYASZYXSTQLMKD-HNNXBMFYSA-N 367.880 5.010 0 40 FKAB CCOc1c(Cl)cc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2 8253406 IKNNOGYUBSKTHT-UHFFFAOYSA-N 354.321 5.451 0 40 FKAB CCCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 9065861 VMIQFFFRAKCHLJ-JOCHJYFZSA-N 368.546 5.333 0 40 FKAB Oc1nc(/C(Cl)=C/c2c(F)cccc2Cl)nc2cc(Cl)ccc12 13120373 HUNIOCFOSMILFU-GHXNOFRVSA-N 369.610 5.518 0 40 FKAB aggregator COc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3C)C2)c1 13629146 NJYYMAYDQXIEKG-FQEVSTJZSA-N 363.486 5.124 0 40 FKAB C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C12CC3CC(CC(C3)C1)C2 14076672 XEXJEDLUFAROCW-RODOAYEJSA-N 358.334 5.390 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc(C)c1Cl 14400675 RQRJMILYGHQYKD-OAHLLOKOSA-N 361.869 5.150 0 40 FKAB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccccc1Cl 14897895 FYIHDZQDBOIEJE-JATZPVMKSA-N 359.857 5.621 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccccc1Cl 17306852 GUSKCLYIVSUPKJ-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1nnc(-c2ccccc2)o1 19298310 PUUNGPNASPRLSS-LBPRGKRZSA-N 366.421 5.119 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 20039450 OUIRXSBMPFXTKA-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 20219109 JFKJXGRVBYQCDG-OAQYLSRUSA-N 372.295 5.019 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)CCc1ccccc1 20492949 NEECEUJQQHCPMD-KXBFYZLASA-N 361.938 5.348 0 40 FKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nc(C(C)(C)C)no3)c2n1 23948013 GTVBJOVGXPLXHB-UHFFFAOYSA-N 366.248 5.110 0 40 FKAB CC1=C2CC[C@H]3[C@H](CC[C@]4(C)[C@@H](C(=O)c5ccccc5)CC[C@@H]34)[C@]2(C)CC1 37246047 YKMWBUJFIQUVEI-NNPCXGTQSA-N 362.557 6.838 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1cccs1 38671397 MVKOCFSTYJCNKN-UHFFFAOYSA-N 351.456 5.669 0 40 FKAB Brc1cc(-c2ccccc2)ccc1OCC[C@@H]1CCCCN1 42770531 PLJJNSLSESAFPK-KRWDZBQOSA-N 360.295 5.027 0 40 FKAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(C(C)(C)C)cc1 96759148 NDNYUJXPUCKOCR-FOWTUZBSSA-N 364.514 5.317 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc(SC(F)F)cc2)C1 102193601 FYQISHXUZGWSQO-SCLBCKFNSA-N 370.534 5.599 0 40 FKAB Clc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 107027556 SBNKXOCLYJDJAP-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc(OC(C)C)cc2)c2ccccc2)cc1 216308109 XQCXCLFWBKCXFW-QHCPKHFHSA-N 359.469 5.302 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccs1 225336545 BWGADVHEUNJFNR-UHFFFAOYSA-N 363.467 5.186 0 40 FKAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225494932 XPYNNUPFKOLPDU-UHFFFAOYSA-N 362.429 5.370 0 40 FKAB COc1cc(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(C)C 225656126 GPKODQYTCYIBTF-UHFFFAOYSA-N 352.261 5.686 0 40 FKAB COc1cc(C)c(C(=O)NCCCc2ccc(Cl)cc2)cc1C(C)C 225665801 RHQLXRZWGLRSBF-UHFFFAOYSA-N 359.897 5.143 0 40 FKAB COc1ccc(-c2ccc([C@@H]3OC(C)(C)[C@@H]4C[C@H](O)[C@@H](C)[C@@H]3C4)cc2)cc1 257226400 FKMWZZYJAWXSIF-HIJCWAQPSA-N 366.501 5.235 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)s1 408580279 NUXJURQHFWTTBM-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccccc2Cl)S1 408800825 RGSIZPHWFWMQOI-UHFFFAOYSA-N 364.277 5.065 0 40 FKAB CC(C)(C)CC(C)(C)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1572581 GJCWEXUGXSGMDE-UHFFFAOYSA-N 365.344 7.286 0 40 FKAB CCCCC1(CC)COP(=O)(OCC(Cl)(Cl)Cl)OC1 1653086 IBBHUJFRHVOZQA-UHFFFAOYSA-N 353.610 5.115 0 40 FKAB NC(=O)c1c(-c2ccccc2)c2c3ccccc3ccn2c1-c1ccccc1 1718212 YOEPZPNFIZZEDI-UHFFFAOYSA-N 362.432 5.525 0 40 FKAB Clc1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)c(Cl)c1 1773038 QKZMIJDGLVTVFH-UHFFFAOYSA-N 372.299 6.348 0 40 FKAB CCOc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(C)cc23)cc1 1805874 BJEDMNPNPPLCNV-YYDJUVGSSA-N 355.437 6.039 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1C 1866880 BTWGVAQLSRORGC-VZCXRCSSSA-N 352.528 5.986 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 2188955 BUJPDKNBINEQOD-UHFFFAOYSA-N 371.893 5.408 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(OCc2ccccc2)cc1 2635758 YNGGUUIMFWLOHQ-UHFFFAOYSA-N 359.469 5.950 0 40 FKAB Clc1cccc([C@H]2C=C(c3cccnc3)Nc3nc4ccccc4n32)c1 2914884 YDRQPGZYSVWTFA-HXUWFJFHSA-N 358.832 5.141 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)c1ccc2c(c1)-c1ccccc1C2 3359637 YRAKWZRAWAMOKT-UHFFFAOYSA-N 369.247 5.826 0 40 FKAB CCCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 3429176 SKDNJBJIZOOGMK-UHFFFAOYSA-N 354.475 5.316 0 40 FKAB Cc1ccc(NC(=O)CCCCCCCCCC[C@@H]2COCCO2)cc1 4025884 NXDJFCQNKNCNCK-OAQYLSRUSA-N 361.526 5.250 0 40 FKAB biogenic CCc1ccc(Cl)c(CC)c1NC(=O)Cc1coc2cc(OC)ccc12 5610644 OMWWHMSKOUUUMB-UHFFFAOYSA-N 371.864 5.401 0 40 FKAB CCCCOc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 6309838 UHCQYPKFXUYUOP-JXFKEZNVSA-N 357.523 5.296 0 40 FKAB Cn1c(=O)c2c(-c3ccccc3)c(Nc3ccccc3)oc2c2ccccc21 6672264 IACJWIUZVXIRDR-UHFFFAOYSA-N 366.420 5.695 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccccc1Cl 6857441 MJNITTNVSGTZOI-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB c1ccc(-c2cc3c(Oc4ccc(-c5nnco5)cc4)ncnc3s2)cc1 7984084 DREUOZLGMPZDGC-UHFFFAOYSA-N 372.409 5.201 0 40 FKAB Cc1ccc(COc2cccc(C(=S)NCCc3ccccc3)c2)cc1 9188114 SACHSHVAQYQPAJ-UHFFFAOYSA-N 361.510 5.082 0 40 FKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 10156881 LGSHPNPXNDARMY-OAHLLOKOSA-N 363.486 5.065 0 40 FKAB Cc1oc2ccccc2c1CN(Cc1cccnc1)Cc1ccccc1F 13569017 KFZDOVJPYSYLFE-UHFFFAOYSA-N 360.432 5.478 0 40 FKAB Cc1ccc(-c2cc(Nc3ccc(Br)cc3)nc(C)n2)cc1 19822014 HPIUVWBFBWNDGM-UHFFFAOYSA-N 354.251 5.267 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(Cl)cc2)cc1 27989646 NIQRKHWWDPDINF-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB O=C(Nc1ccc2c(c1)CCO2)[C@@H](Sc1ccccc1)c1ccccc1 31343790 KEPSYPVHTYSUMU-NRFANRHFSA-N 361.466 5.094 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 38752535 UGSGKWNCONRVJL-FQEVSTJZSA-N 365.498 5.748 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H]1c1cccc(F)c1 56539511 LLKCQCCEINZTPZ-NRFANRHFSA-N 367.468 5.185 0 40 FKAB CC(C)(C)c1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1 57352941 YSFJSLQXOIYBED-UHFFFAOYSA-N 357.866 6.132 0 40 FKAB O=C(c1cccc2ccccc12)N(CCc1cccs1)Cc1ccoc1 90612334 GOTIVAIPVXWTSB-UHFFFAOYSA-N 361.466 5.379 0 40 FKAB CCOc1ccc(NC(=O)N2CCS[C@@H](c3ccccc3C)CC2)cc1 219296438 KRTPTSDQJDRUJK-HXUWFJFHSA-N 370.518 5.106 0 40 FKAB CCCCOCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OCC 224725448 FIQVMRFTWGBXQR-UHFFFAOYSA-N 355.478 5.271 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2)cc1 225306725 BKPOLIUTWWSGCW-QHCPKHFHSA-N 363.888 5.487 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c2ncccc12 225887342 HANCLIBFRNLMJE-JOCHJYFZSA-N 372.509 5.338 0 40 FKAB Cc1cc(C)n(-c2nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3s2)n1 226302950 HGDDTQGAAHZSEK-UHFFFAOYSA-N 363.530 5.567 0 40 FKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(F)cc1 408530514 JODCLEYONKTDGP-UHFFFAOYSA-N 370.383 5.169 0 40 FKAB CCc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1 409111185 ARVSXSWHKYEFKG-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB Cc1ccc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl 853547 OMDVCJYXPYQLQK-UHFFFAOYSA-N 351.858 6.269 0 40 FKAB Cc1sc2nc(C(C)C)nc(SCC(=O)c3ccc(F)cc3)c2c1C 1340375 CKWZLQGDIYWKPL-UHFFFAOYSA-N 374.506 5.546 0 40 FKAB C[C@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 1438231 PICLVTIVPWKLBJ-QVKFZJNVSA-N 362.860 5.542 0 40 FKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)c1 1505706 POKVVSYWPRIKGA-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB COc1ccc(-c2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1 2102927 RGFHZRFOASBJKF-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c(OCC=C(C)C)ccc23)cc1 2106918 CQDDXHNVVWDJTI-UHFFFAOYSA-N 350.414 5.122 0 40 FKAB biogenic Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 2331616 WZBSZCZFXFYLMW-VQTJNVASSA-N 356.252 6.224 0 40 FKAB O=C(C[C@@H](SC1CCCCC1)C(=O)O)c1ccc(C2CCCCC2)cc1 2570987 QJCXHBFXQPPRAG-OAQYLSRUSA-N 374.546 5.826 0 40 FKAB C[C@H]1CCCC[C@H]1N(C(=O)c1ccccc1Cl)C1=NC(C)(C)CS1 3266679 QBUFMUTVTVOSTG-XJKSGUPXSA-N 364.942 5.242 0 40 FKAB C[C@H](NC(=S)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1 3477536 KNFANBPLNLLQNR-SFHVURJKSA-N 360.526 5.121 0 40 FKAB CC(C)[C@H](CCC[C@@H](C)C[C@H](O)Cc1ccccc1)Cc1ccccc1 3845959 VTHTXJLWIHKOGX-SDUSCBPUSA-N 352.562 6.301 0 40 FKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cc2ccccc2o1 4122441 GFDOYZAUIWMAQT-UHFFFAOYSA-N 369.380 5.197 0 40 FKAB O=C1OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 4683123 KQIPIWIXSIKWIV-UHFFFAOYSA-N 355.220 5.456 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2ncccn12 4734154 XPVDPHCZWITFGD-UHFFFAOYSA-N 371.488 5.077 0 40 FKAB O=C1c2ccccc2-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 5463525 GBSBKOXMUOPVAE-UHFFFAOYSA-N 357.453 5.053 0 40 FKAB CC[C@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5557254 HCWZKEIINMVGPC-AWEZNQCLSA-N 353.535 5.893 0 40 FKAB Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1Cl 5679735 MVDVQEPJTSUWFX-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB CCN(Cc1ccncc1)c1ncnc2scc(-c3ccc(C)cc3)c12 5704344 LVKJDOHUBAKSSH-UHFFFAOYSA-N 360.486 5.088 0 40 FKAB C[C@H](NCc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 8534280 DPKVWQHIINHQNP-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB CC(C)c1ccc2occ(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 8614297 CDTWLLTURYCYJU-UHFFFAOYSA-N 361.363 5.756 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 9141014 HRXKRWLHFXKOEE-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(C)c1 10507626 QJJPKFNXMDXNHL-UHFFFAOYSA-N 374.444 5.141 0 40 FKAB Cc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20493377 JYCHXOMDKOLTGI-UHFFFAOYSA-N 371.480 5.776 0 40 FKAB Cc1ccc(CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 33571672 BLDSXZDFSYADOL-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB COc1cc(-c2nc3ccccn3c2Nc2cccc(Cl)c2)ccc1O 35616516 WCKYPTAOQKLFMV-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccccc3F)n2)cc1 36611251 WYUJTBPQVOVGKQ-UHFFFAOYSA-N 356.444 6.021 0 40 FKAB CC(C)(C)c1ccc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)cc1 58307720 BCSBKLAMVRVWNF-DEOSSOPVSA-N 354.437 5.452 0 40 FKAB O=C(O)c1ccc(Nc2ccnc3c(Sc4ccccc4)cccc23)cc1 78401550 HTCCKRPETOPROO-UHFFFAOYSA-N 372.449 5.828 0 40 FKAB Cc1ncsc1C(=O)N1CC[C@@H](C)Sc2ccc(C(F)(F)F)cc21 84065592 NJAJURMZWSDEED-SECBINFHSA-N 372.437 5.001 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1csc(-c2ccccn2)n1 89845715 QKJUFQAWEYNYFG-UHFFFAOYSA-N 372.453 5.201 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]4(C)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118935518 WDCJNWGWSPGXBU-FNMUQZKASA-N 360.538 5.310 0 40 FKAB C[C@@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 216799304 AETRIGPAXQQEJN-HUUCEWRRSA-N 354.881 5.626 0 40 FKAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 218911240 KHFLMERPWUFMJX-QGZVFWFLSA-N 361.485 5.394 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl 222852980 CAHOLDBBTQXPRQ-JXFKEZNVSA-N 359.897 5.319 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 223001298 XYEYJGONRIAPCT-VXKWHMMOSA-N 353.506 5.345 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 224523245 SMLAJJXUVYJHBY-CYBMUJFWSA-N 366.288 5.831 0 40 FKAB Cc1ccccc1CSCCCNC(=S)Nc1cccc(Cl)c1 225599928 SQSGSAKDLMXVBV-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)cc1 225624515 QWPATGRQACMPJK-UHFFFAOYSA-N 362.926 5.048 0 40 FKAB Cc1ccc(CC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 225634773 UTHJBUFODUGHII-OAQYLSRUSA-N 363.501 5.189 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCCCC1 225712091 GFRVXDIPPWGXQN-SFHVURJKSA-N 361.526 5.549 0 40 FKAB CCCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)c(F)c3)OC2)CC1 257198464 PXQGJCAMNTXNSQ-LJHCUZDXSA-N 352.465 6.013 0 40 FKAB CCCC1(C2CCCCC2)CCC(c2ccc(OC(F)(F)F)cc2)CC1 299803689 RYDVLFBAGZRZFD-UHFFFAOYSA-N 368.483 7.610 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)c1 409183161 RVXJGRVYNUEZSY-UHFFFAOYSA-N 366.844 5.584 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C2CCC2)cn1 582082309 FFWXNAJFKRBKOK-UHFFFAOYSA-N 367.836 5.218 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cc(-c2ccc(F)cc2)no1 1775977148 WMHQTLNNMJEOKT-ABAIWWIYSA-N 369.223 5.010 0 40 FKAB Cc1cc(OC(=O)NC(=O)c2ccc(Cl)cc2)c(C(C)C)cc1Cl 934539 ZKIMLQGFVYFWSY-UHFFFAOYSA-N 366.244 5.354 0 40 FKAB Cc1sc2nc(C(C)C)nc(SCC(=O)c3ccccc3)c2c1C 1340352 DFLAQNDOVNQZIH-UHFFFAOYSA-N 356.516 5.407 0 40 FKAB Cc1c(-c2csc(-c3ccccc3)n2)c(=O)oc2ccc(Cl)cc12 3351723 LXNHGISVLZYCSJ-UHFFFAOYSA-N 353.830 5.545 0 40 FKAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2sc3ccccc3c2Cl)cc1 3357750 DYTAXBQOPVCDJX-CQSZACIVSA-N 371.933 6.244 0 40 FKAB CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2cc(C)ccn2)cc1 4869212 ZAOYLNFWLZXGIQ-UHFFFAOYSA-N 372.468 5.002 0 40 FKAB Fc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 5462230 JNZGJCKYOYGQOC-PZJWPPBQSA-N 361.395 5.461 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 5466615 YSQVLKODERWRRM-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C12CC3CC(CC(C3)C1)C2 5775877 NNYOXTPZHCUCPH-UHFFFAOYSA-N 372.468 5.650 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 5880810 YMBHXVGGTJBPFG-JTQLQIEISA-N 374.720 5.444 0 40 FKAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc(Cl)cc1Cl 5899141 CDZYKTICINSQKM-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB CC(C)c1ccc(Nc2ncc(F)c(Nc3ccc(C(C)C)cc3)n2)cc1 6245626 IOCWNOKOCMKTJN-UHFFFAOYSA-N 364.468 6.350 0 40 FKAB CCc1ccc(C2=Nc3ccc(CC)cc3C(c3cccs3)=NN2)cc1 6821898 HRXQHYKRHQZOBY-UHFFFAOYSA-N 359.498 5.307 0 40 FKAB CCC(=O)Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 8879982 UGQWXZFQJYGHKD-UHFFFAOYSA-N 373.408 5.043 0 40 FKAB biogenic CCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(Cl)cc2)c1 11914602 BNNAFXDCDSVOSS-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB CCc1cccc2cc3c(nc12)O[C@H](C)CN(CCCc1ccccc1)C3 13563850 WXQXZEDADFVFND-GOSISDBHSA-N 360.501 5.013 0 40 FKAB CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OCCCC 14494895 HGWAKQDTQVDVRP-MQGIHEMASA-N 354.575 6.338 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 30116745 UCLWCJVVKGERKD-LBPRGKRZSA-N 374.362 5.160 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2c(F)cccc2s1 32598906 WAMZSOOKUNFIBM-GFCCVEGCSA-N 372.465 5.139 0 40 FKAB C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 38753805 CYVYBUQMJNFQHG-LLVKDONJSA-N 372.292 5.243 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccc2[nH]c3ccccc3c2c1 44781822 KMMNXCHSKZZRIB-UHFFFAOYSA-N 366.420 5.492 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 44845681 MKITZTYTVFAZJX-ZWKOTPCHSA-N 367.533 5.752 0 40 FKAB CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215404 AXTCITGLFAUGOG-LJQANCHMSA-N 373.541 5.169 0 40 FKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@@H]2CCCC[C@@H]21 72302735 NEBSQZKNAQPTKP-BTYIYWSLSA-N 352.453 5.046 0 40 FKAB CCCCOc1ccc(/C=C2/Sc3cc(OCC)ccc3NC2=O)cc1 96766919 FNZBYSCPOPHMCO-DEDYPNTBSA-N 369.486 5.350 0 40 FKAB Cc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 101563652 UNYPQOLPXCZZEL-KRWDZBQOSA-N 352.478 5.112 0 40 FKAB C(=C\c1ccc(-c2ccccc2)cc1)\C=C\c1ccc(-c2ccccc2)cc1 104356257 FNGCNIQEQUNTCR-FKJILZIQSA-N 358.484 7.747 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 222958344 KNYGZTDTDNRTER-INIZCTEOSA-N 352.261 5.406 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1 223004539 KLAOJRYWDOPUEC-QHCPKHFHSA-N 367.533 5.333 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223106690 KJELVXNZBPFMFX-SFTDATJTSA-N 369.480 5.129 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 225625195 IETDZKWPYYUULZ-NRFANRHFSA-N 363.501 5.378 0 40 FKAB Cc1ccc(-c2csc(=NCc3ccccc3)n2Cc2ccccc2)cc1 254518789 DIPIKFMPADBBFE-UHFFFAOYSA-N 370.521 5.674 0 40 FKAB Cc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1 409380766 HTCZAPXLLZPBEP-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCc1ccc([C@H]2CCCCCN2Cc2cc3ccccc3c(O)n2)o1 1775996481 JMPYYEGCBGNGNR-HXUWFJFHSA-N 350.462 5.213 0 40 FKAB Clc1ccc(Cl)c(OCc2cc(-c3ccccc3Cl)on2)c1 1398578 FAGDJLKYQVYUJT-UHFFFAOYSA-N 354.620 5.881 0 40 FKAB Cc1ccccc1-c1nnc(SC(c2ccccc2)c2ccccc2)n1C 3369098 YUTCQKRNDRWZHU-UHFFFAOYSA-N 371.509 5.672 0 40 FKAB C[C@H]1C[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)c2ccccc2N1 4046260 JYTDIBJBHJOQQD-MVZCXOPHSA-N 368.480 5.678 0 40 FKAB COc1cccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc12 4076436 FTBOCWJQZIIICB-UHFFFAOYSA-N 374.874 5.425 0 40 FKAB CC(C)CCN1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 4599133 OKJCOZZGKBIVES-SFHVURJKSA-N 362.395 5.318 0 40 FKAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1c[nH]c2ccccc12 4691461 RRSZEFIZTHQMOR-HJPURHCSSA-N 356.469 5.683 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1 4702644 KZRJXPLKLZMYRN-HSZRJFAPSA-N 368.436 5.235 0 40 FKAB Clc1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1 5414170 SXHYMDLHFGKEOO-UHFFFAOYSA-N 368.914 6.304 0 40 FKAB Cc1cccc(Nc2nnc(SCC34CC5CC(CC(C5)C3)C4)s2)c1 5692835 UTAGJXFCKNVCEG-UHFFFAOYSA-N 371.575 5.899 0 40 FKAB O=[S@@]1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 5722756 OPMACWLLFAYQRX-CYFREDJKSA-N 371.914 5.775 0 40 FKAB CCOC(=O)c1c(C)sc(=S)n1N(c1ccccc1)c1ccccc1 8477295 SSQSSURHEIYRFH-UHFFFAOYSA-N 370.499 5.366 0 40 FKAB CCC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1 12062242 NHKSTYKIAZOYOG-OAQYLSRUSA-N 352.478 5.037 0 40 FKAB C[C@@H]1CCc2c(sc3ncnc(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c23)C1 12082479 GWEZRYUFIJJLIF-YPENRWOSSA-N 355.551 5.221 0 40 FKAB O=C(CC1CCCC1)Nc1nc(CSCc2ccc(F)cc2)cs1 12230192 USSQSBLVZZGASX-UHFFFAOYSA-N 364.511 5.234 0 40 FKAB CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 12652309 YDVVOXNUMWFYCY-QQXYESIMSA-N 369.549 5.802 0 40 FKAB O=C(c1cc2ccccc2[nH]1)N(CCc1cccs1)Cc1cccs1 12753826 ILDGUVPVBNPRTM-UHFFFAOYSA-N 366.511 5.176 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)N1c2ccccc2Sc2ccccc21 13717122 QXQIUBQVCIXHQL-UHFFFAOYSA-N 366.873 6.483 0 40 FKAB CCc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 13810635 LUUCKQMJUCSYEW-FYYLOGMGSA-N 353.469 5.745 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 14258082 FYJSGYPNJPNMFK-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1Cl 14862032 XYASHPCQVMFEED-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CN(Cc1ccc2ccccc2c1)Cc1nc(-c2ccccc2Cl)no1 16343006 IPGTZMUTJIYYET-UHFFFAOYSA-N 363.848 5.175 0 40 FKAB CCOP(=O)(OCC)O/C(=C\Cl)c1cc(Cl)ccc1Cl 17146774 SRZOWOUWGAIUTI-WQLSENKSSA-N 359.573 5.728 0 40 FKAB c1ccc(CCN(Cc2ccccc2)Cc2cn[nH]c2-c2ccccc2)cc1 19722693 CALWOJIHEDRGBR-UHFFFAOYSA-N 367.496 5.322 0 40 FKAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2o1 22769073 YEZGSZRJQMFVDD-UHFFFAOYSA-N 359.337 5.191 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 32622980 CBXJYOCEHOFIRG-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1Oc1ccccc1 72212235 XGZBQSJDRSODLI-OAQYLSRUSA-N 358.441 5.241 0 40 FKAB Cc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)c1 101217212 DEUMKACKPKWMTA-UNMCSNQZSA-N 373.887 6.144 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4CC[C@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 104105660 HNSZJJAOLVQMQU-WRQDIQAASA-N 366.930 5.494 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222963858 YWQUVJGTSKCPCF-WIYYLYMNSA-N 367.533 5.636 0 40 FKAB CC(C)(C)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225275000 RHCCCXSWDFKSIA-UHFFFAOYSA-N 368.546 5.300 0 40 FKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc(F)c3)oc12 226286397 NZYPOVLHFJPELD-UHFFFAOYSA-N 358.372 5.103 0 40 FKAB Cc1sc2nc(-c3ccccc3OCc3ccccc3)nc(O)c2c1C 408734519 HIULPOWMLJNSGZ-UHFFFAOYSA-N 362.454 5.260 0 40 FKAB CN(C)CC[C@@H](Oc1ccccc1OCc1ccccc1)c1ccccc1 726314 DOLQMPKGEINGIB-JOCHJYFZSA-N 361.485 5.337 0 40 FKAB COc1ccc(N[C@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)cc1 1298071 OGCCLCVQPODCDS-XMMPIXPASA-N 372.468 5.695 0 40 FKAB FC(F)(F)c1cccc(-c2cnn(-c3cccc(Br)c3)c2)c1 1391984 JVLYYRIVLHTYMV-UHFFFAOYSA-N 367.168 5.321 0 40 FKAB O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2ccccc2)s1 1453239 NOKCDEFXXBEPBL-ACCUITESSA-N 370.477 5.539 0 40 FKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NC1CCCCC1 2177018 MRSIDEFCZJCKAG-OVVICAPSSA-N 373.540 5.759 0 40 FKAB Cc1ccc(Cn2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 2253790 MTDZLLNNMKAMGC-UHFFFAOYSA-N 368.415 5.142 0 40 FKAB CC1(C)C[C@H](c2nc(-c3ccc(Br)cc3)cs2)CCS1 2271042 MFYBJCVTOBFISX-GFCCVEGCSA-N 368.365 5.962 0 40 FKAB CCCCCOc1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 3092239 VUIHHCHBFIDJAX-UHFFFAOYSA-N 355.478 5.687 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1 3470360 YGVSFUPQBJVFAV-UHFFFAOYSA-N 355.409 5.677 0 40 FKAB CC(C)c1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4555579 BOVAWBRJQMNTHF-IBGZPJMESA-N 369.534 5.067 0 40 FKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N=C(C)C3=C(O)C2)c(OC)c1 4736674 KIMZAFTYNALDRA-CQSZACIVSA-N 362.429 5.272 0 40 FKAB Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(=O)Nc1nccs1 5033061 MLJSEWFFRLXPQY-UHFFFAOYSA-N 353.230 5.271 0 40 FKAB CC[C@H](C)Nc1ccc(NC(=S)Nc2ccc(N[C@@H](C)CC)cc2)cc1 5500009 JISDNEYCWNQCOJ-HOTGVXAUSA-N 370.566 5.916 0 40 FKAB O=C(/C=C/c1ccco1)OCc1ccc(-c2ccc(Cl)cc2Cl)o1 5945186 PCSRMNYWUXAJKZ-VMPITWQZSA-N 363.196 5.603 0 40 FKAB Cc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)nc1 6200819 MKUZOQRFUFKINA-UHFFFAOYSA-N 368.373 5.685 0 40 FKAB O=C(NCc1ccc(Cl)cc1)c1ccc2noc(-c3ccccc3)c2c1 6550813 ZSLPZIKVBUVBCU-UHFFFAOYSA-N 362.816 5.078 0 40 FKAB CCCCNC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)o1 7141395 ISSBJBNIWKZSEC-UHFFFAOYSA-N 363.461 5.547 0 40 FKAB CC[C@H](C)NCc1c(OCc2ccccc2Cl)ccc2ccccc12 8326623 ZORQZELOXQEMRH-INIZCTEOSA-N 353.893 5.960 0 40 FKAB O=C(Nc1cccc(/C=C/c2ccccc2)c1)c1csc2c1CCCC2 11690629 OVOIRCNZBHNKQI-BUHFOSPRSA-N 359.494 6.050 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 15643725 YRTFOTBUGRUBGN-UHFFFAOYSA-N 354.453 5.796 0 40 FKAB Cc1ccc(-c2nc(CNC(=O)c3oc4ccccc4c3C)cs2)cc1 15832613 IFQJFETZYVKRKV-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB COc1cccc2cc(C(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)oc12 20105363 RQCLGSWKOHXHTI-QFIPXVFZSA-N 371.436 5.269 0 40 FKAB Cc1noc(C)c1COc1ccc(CN[C@H](C)c2ccccc2Cl)cc1 25359273 KEAXUAVAXGDQKG-CQSZACIVSA-N 370.880 5.375 0 40 FKAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 27062332 YYJQYGFPGOWTMF-UHFFFAOYSA-N 370.827 5.032 0 40 FKAB C[C@@H]1CCN=C(N(CC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 27526040 DJORPIOBQCENQJ-INIZCTEOSA-N 354.881 5.248 0 40 FKAB O=C(Nc1ccccc1-n1cccn1)c1ccc(-c2ccccc2Cl)o1 32912889 CUGXTFGRGWGXEY-UHFFFAOYSA-N 363.804 5.038 0 40 FKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Cl)s1 33478330 IIAHYTVZNGXQNY-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB CCOc1cc(C(=O)Nc2ccccc2)ccc1OCc1ccc(C)cc1 33704836 PALUHDSPBWWIAW-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1Oc1ccccc1 72212194 MLLGIEXRLULBJD-OAQYLSRUSA-N 374.440 5.348 0 40 FKAB Brc1ccc2nc(-c3ccccc3Br)sc2c1 73638897 HEKQTNWSFFUPJY-UHFFFAOYSA-N 369.081 5.488 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102673775 PPQZZSSZGLDOCH-FQEVSTJZSA-N 354.400 5.836 0 40 FKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3)o2)c1 224898369 FYJPVUAIUOBQHA-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB Cc1cc(C)c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 225653537 RJTQCZUYAFKLGU-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 226282481 ODFJSDTXMFHETG-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB COc1c(C)cccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 408623943 VNVSPIYTVIXHAF-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/C=C/c1ccccc1 408839150 NVTPIIHCBHBBBJ-AOLDMILESA-N 365.841 5.455 0 40 FKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCc2ccccc2C1 408923910 HZDDSZFXAWDXGF-CJLVFECKSA-N 373.883 5.466 0 40 FKAB Cc1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 409008502 ZKAMDBGNJJPHSN-UHFFFAOYSA-N 362.454 5.403 0 40 FKAB CC(C)c1c(C(F)(F)F)nc2ccc(SC(F)(F)F)cc2c1O 685938005 PWYJZPNIWKKNLG-UHFFFAOYSA-N 355.303 5.695 0 40 FKAB O=c1cc(C(F)(F)F)oc2cc(OCc3ccc(Cl)cc3)ccc12 1889148981 KDHYJXAHPZTQAW-UHFFFAOYSA-N 354.711 5.044 0 40 FKAB CC(C)c1ccc(OCc2cccc(C(=O)NCc3ccccc3)c2)cc1 673452 DFDXMQHFOIEYAZ-UHFFFAOYSA-N 359.469 5.319 0 40 FKAB Cc1cccc2nc(COc3ccc4ccccc4c3Br)cn12 970069 VMRATWSODGCRAX-UHFFFAOYSA-N 367.246 5.137 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1C 990836 KRJAJRYNSYLFHV-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CC1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)CC1 1083425 SHWMQQUXOODIRK-UHFFFAOYSA-N 355.478 5.028 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1nc(-c2ccccc2)nc2ccccc12 1592015 CPLFUAYNZKWBMW-SFHVURJKSA-N 362.521 5.219 0 40 FKAB CCCCCCc1cc2c(=O)c(-c3ccccc3)coc2cc1OC(C)=O 3071719 LUWDPOLEFMFYOF-UHFFFAOYSA-N 364.441 5.508 0 40 FKAB biogenic CCCC1CCC(c2ccc(-c3nc(-c4ccc(O)cc4)no3)cc2)CC1 3583776 DFFCZUHLOWWTBC-UHFFFAOYSA-N 362.473 6.183 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)cc1 3655303 GWFNFLSSHAZXCT-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB O=C(c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C1CCCCC1 3655947 OGRMUIPCNUYAAD-UHFFFAOYSA-N 369.867 6.245 0 40 FKAB COc1ccc(C2=Nc3ccccc3S[C@H]2c2nc3ccccc3[nH]2)cc1 4149300 UQDUOUFYIAYDJP-OAQYLSRUSA-N 371.465 5.539 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc1 4906113 HJFMHBSOEMYCEK-UHFFFAOYSA-N 374.506 5.002 0 40 FKAB CC[C@H](c1cccc(OC(C)=O)c1)[C@H](CC)c1cccc(OC(C)=O)c1 5572826 XGQBZMBPDNYTIL-FGZHOGPDSA-N 354.446 5.225 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1Cl 5701913 QZADVLZBJMFFRX-VOTSOKGWSA-N 356.636 5.307 0 40 FKAB CCN(C(=O)C1(c2ccc(Cl)cc2)CCC1)C12CC3CC(CC(C3)C1)C2 5936908 FNFLHHKGGOPVJF-UHFFFAOYSA-N 371.952 5.579 0 40 FKAB CC(C)C(=O)c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 6306648 NYGZTRKBRKDULG-UHFFFAOYSA-N 363.501 5.857 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccc(Cl)cc1 6857437 QHNILWOGKRSZDA-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 7343519 NAJGORAYZMJNGA-UHFFFAOYSA-N 361.832 5.065 0 40 FKAB CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 8227190 NUQWVIVAWQPXCU-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB Cc1nc2ccccc2nc1SCC(=O)c1ccc(Cl)c(Cl)c1 8300245 QJVNQCROOOZGBQ-UHFFFAOYSA-N 363.269 5.220 0 40 FKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1 10156880 LGSHPNPXNDARMY-HNNXBMFYSA-N 363.486 5.065 0 40 FKAB Fc1cccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 13282018 ZUPHLHQBZZNMMJ-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 13632258 KPNJCIGLLJITQN-OAHLLOKOSA-N 350.245 5.026 0 40 FKAB Cc1ccc(CN(Cc2ccncc2)Cc2ccccc2N2CCCC2)cc1 13989402 JYKTZMIQGROQSS-UHFFFAOYSA-N 371.528 5.193 0 40 FKAB O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 16807402 GYMLOCVPUNZMAZ-RMKNXTFCSA-N 350.245 5.279 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)C3CCCCC3)cc12 16993233 GHRAVCGFLPMBNV-UHFFFAOYSA-N 361.441 5.491 0 40 FKAB biogenic CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1Oc1ccccc1 20460313 VQRZUSZMEJWKEK-FQEVSTJZSA-N 361.441 5.583 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2cccc(Cl)c2)o1 27969141 RQCIHMAIHFQROC-CQSZACIVSA-N 367.832 5.103 0 40 FKAB O=S(=O)(Oc1cccc2ccccc12)c1cccc2cccc(Cl)c12 35685502 QSPFMNNYHZZAMD-UHFFFAOYSA-N 368.841 5.414 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)ccc1F 71326163 NTMKJBHNYNILBU-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB O=C(O)c1ccccc1Nc1ccnc2ccc(Oc3ccccc3)cc12 78401521 UHUYLMXFNLZKCK-UHFFFAOYSA-N 356.381 5.469 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)c(C)c1 219031645 WJDKRFFVODFHDQ-FDDCHVKYSA-N 361.485 5.491 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 223033083 XBWZBDHBVCBPAX-RTWAWAEBSA-N 373.924 5.690 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Cc2cc(C)ccc2C)c2ccccc2O1 224644582 AFQOINJGYKVCEZ-FQEVSTJZSA-N 351.490 5.045 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccccc2OCC)ccc1OCC 224728106 GWPLKYANMXSLJG-UHFFFAOYSA-N 371.477 5.053 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 224966158 LAXJQBSGLLEQOY-GOSISDBHSA-N 366.505 5.206 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 409195349 HWUNWRIBWBMUFG-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OC 409368929 SRURVVXYFHAYBS-UHFFFAOYSA-N 373.758 5.018 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccccc2)cc1 409383880 NEJITFHUUONYKH-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB C[C@@H](Nc1cccc2nc(O)oc12)c1ncc(-c2ccc(Cl)cc2)o1 562232190 FRUDQYQSWJPVFK-SNVBAGLBSA-N 355.781 5.015 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(Cl)c1 953124 SLRSUDAKGBBBFA-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4c(C)noc4C)c23)cc1 1094040 RAARVPTUKQWPGE-UHFFFAOYSA-N 367.499 5.564 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 1268605 KVMGABVCYSVZPH-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB O=C(O)[C@@H]1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc12 1722260 OSMADBDRFADZPJ-VWNXMTODSA-N 352.433 5.772 0 40 FKAB in-vitro CC(C)N(C(C)C)[P@@](=O)(C(C)(Cl)Cl)C(Cl)(Cl)Cl 3122358 CMQIKGQNKPETAI-QGZVFWFLSA-N 363.480 5.862 0 40 FKAB CC[C@H](C)c1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3401092 XZNDABRERMAJQY-GJZGRUSLSA-N 370.514 5.426 0 40 FKAB CCc1cccc(C)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 3444154 OXDSJPGHFHDSGQ-UHFFFAOYSA-N 372.679 5.535 0 40 FKAB biogenic Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1 3655296 GLDPVUROMMHBER-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB COc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)o2)cc1 4050244 FIZBEYCSWWNEAL-UHFFFAOYSA-N 366.364 5.056 0 40 FKAB Cc1ccccc1C[C@]1(Br)CC(C)(C)c2ccccc2C1=O 5105217 QUILCJBMGKHGDA-FQEVSTJZSA-N 357.291 5.235 0 40 FKAB C[C@H]1CC2C[C@H](C)CC(c3cc(Br)c(O)c(C=O)c3)(C2)C1 6795627 AGMSQKWELKKRGR-IWKNMOJESA-N 351.284 5.071 0 40 FKAB O=C1c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1Cc1ccco1 7112626 OIOYWHCPNOCMIL-SFHVURJKSA-N 372.346 5.065 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ccccc1SCc1ccccc1 7684558 IMHMSKUWHUHCHD-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1c1nc2ccccc2s1 8231979 KRGNSQJDYKMWMO-OAHLLOKOSA-N 368.527 5.214 0 40 FKAB Cc1ccc(CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 8317233 GRXWAFMITMFFLJ-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 8560762 QWYGXZVFSSXIPE-UHFFFAOYSA-N 367.832 5.311 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)CCCOc1ccc(Cl)cc1Cl 9892546 UNFJGPRBFVCTLM-UHFFFAOYSA-N 360.325 5.483 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ccc2c(c1)OCCO2 12779478 TWDZDBBURNFXMX-UHFFFAOYSA-N 367.489 5.276 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cc(F)ccc3C)s2)cc1 12993294 PHXKYQSQWSUDQL-UHFFFAOYSA-N 370.449 5.039 0 40 FKAB CCc1cccc(C)c1NC(=O)N1c2ccccc2Sc2ccccc21 13717193 PJBFWGHATYSOFY-UHFFFAOYSA-N 360.482 6.392 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1nc(C(C)(C)C)cs1 18947454 XSVGJIXZIYHGQL-UHFFFAOYSA-N 363.533 5.186 0 40 FKAB Cc1c(CN[C@@H](Cc2cccs2)c2nccs2)[nH]c2ccccc12 19565954 NWCZFAWNGDEDNT-KRWDZBQOSA-N 353.516 5.068 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 20453651 VMBAYMCLWUABRM-RTWAWAEBSA-N 353.506 5.364 0 40 FKAB CC(C)c1ccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44839182 RISHQCOQTSLWOR-UHFFFAOYSA-N 369.468 5.283 0 40 FKAB O=C(Nc1cc(F)ccc1F)Nc1ccc(Cl)cc1C(F)(F)F 51354448 AIISEWRXHIKVJE-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB C/C=C/[C@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc2N1C(C)=O 59379774 FJYFRWQCPYNORK-KOGVQQCSSA-N 369.464 5.264 0 40 FKAB Cc1ccc([C@@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2)cc1 216481343 POCGXPZZLYUJAU-TVXVBNPNSA-N 361.872 5.567 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222903718 CTNCQMHPFMJPNP-CABCVRRESA-N 373.949 5.577 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 224966123 LAXJQBSGLLEQOY-SFHVURJKSA-N 366.505 5.206 0 40 FKAB Cc1c(Cl)cccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225071182 OEVXZPDORHMODN-NRFANRHFSA-N 366.844 5.390 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)c2ccccc12 225826089 AYRVCSHPMKKOIS-HSZRJFAPSA-N 371.521 5.943 0 40 FKAB CCCCSc1nc2sc(CC)c(C)c2c(=O)n1-c1ccc(C)cc1 409120339 TZPQZEJPEQTTNC-UHFFFAOYSA-N 372.559 5.519 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)cc1 2214080 HHEHUKPXYKFVMY-UHFFFAOYSA-N 364.452 5.561 0 40 FKAB CCC1(CC)c2ccccc2N(C)[C@]12C=Cc1c(ccc3ccccc13)O2 2343770 JXAYMBVZSAGRAO-VWLOTQADSA-N 355.481 6.150 0 40 FKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 2446625 HVWKEZRYVAWUKX-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB CC(C)(C)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 2561569 RWAKVVGBTSWTSC-UHFFFAOYSA-N 358.510 7.004 0 40 FKAB C[C@@H](CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 3450544 HEVWUGLERSUYEX-HNNXBMFYSA-N 361.470 5.195 0 40 FKAB O=C(O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12 4227990 DRZTWULZGQDVAJ-UHFFFAOYSA-N 364.832 5.444 0 40 FKAB CC(C(=O)Nc1cccc2ccccc12)(c1ccccc1)c1ccccc1 4503028 QCRUHAAQZWPYQY-UHFFFAOYSA-N 351.449 5.785 0 40 FKAB COc1ccc(-c2csc(/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 5020655 JYDQEQFQIKQPSB-YCRREMRBSA-N 362.281 6.296 0 40 FKAB CCC(=O)C(C[C@@H](C)N1CCCCCC1)(c1ccccc1)c1ccccc1 5497829 UPZPEJYGCRTBQA-OAQYLSRUSA-N 363.545 5.606 0 40 FKAB Cc1nn(-c2ccc(F)c(Cl)c2)c(C)c1-c1ccc(Cl)c(Cl)c1 5724269 XUMAYRJPTIMFSQ-UHFFFAOYSA-N 369.654 6.255 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 6321017 IDUXTNRECWTHTH-UHFFFAOYSA-N 350.028 5.657 0 40 FKAB CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(C)cc2)cs1 6825182 BBSSXBVUYCIAFY-UHFFFAOYSA-N 354.450 5.314 0 40 FKAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 7779495 ABZOHXORDAROPT-UHFFFAOYSA-N 372.490 5.297 0 40 FKAB CCOc1ccccc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 8061017 HPVSZTIGHXALTR-UHFFFAOYSA-N 372.877 5.423 0 40 FKAB CCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1 8673991 PBQOIEZNXFGGNE-UHFFFAOYSA-N 372.515 5.124 0 40 FKAB Clc1ccc(-c2nc(Nc3cccc(Cl)c3)c3ccccc3n2)cc1 8994578 AMWQCSYPEGWBPO-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 11024079 RWCQBUWGKJOPGW-NFBKMPQASA-N 358.441 5.645 0 40 FKAB CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 13013059 XZIXGCPUHMVBNV-UHFFFAOYSA-N 364.470 5.376 0 40 FKAB Cc1cc(NC(=O)CCSCc2ccccc2)ccc1Br 13687980 CMCKNECVXNRXKR-UHFFFAOYSA-N 364.308 5.020 0 40 FKAB CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccc(C(C)(C)C)cc1 28290545 XUHRCQWYNGMHFR-QFIPXVFZSA-N 366.549 5.105 0 40 FKAB COc1ccc(OC)c(Nc2c(-c3cccs3)nc3cccc(C)n23)c1 35616563 XEMSJIYTLLSFGG-UHFFFAOYSA-N 365.458 5.132 0 40 FKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)C(F)(F)F 57316738 AUJTUJXKRWIMOE-UHFFFAOYSA-N 356.756 5.118 0 40 FKAB O=C(c1csc(-c2cccc(Cl)c2)n1)N(Cc1ccsc1)C1CC1 60158184 SBOLUIJTBGUISK-UHFFFAOYSA-N 374.918 5.330 0 40 FKAB C[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)c2cc(C(F)(F)F)ccc2S1 72270546 PVHBZTJRCCPDJR-OLZOCXBDSA-N 355.425 5.279 0 40 FKAB C[C@]12CC3CC(CC(=O)NCC45CC6CC(CC(C6)C4)C5)(C1)C[C@](C)(C3)C2 103520414 YNNLROITLYFBAR-FTEGJICOSA-N 369.593 5.706 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(N5CCCCC5)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 118935506 RCEDLDDSTBBSOK-MIFDARQQSA-N 357.582 5.370 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 222934976 CSZFYZSTRPWBSG-DYESRHJHSA-N 353.506 5.327 0 40 FKAB C[C@H](CNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 224316630 LVRYLQOKHFRNRN-MRXNPFEDSA-N 360.482 5.803 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1 225378730 CQMCKZHLRJGVKW-LJQANCHMSA-N 364.316 5.810 0 40 FKAB O=C(Nc1c(F)cccc1F)c1cccc(OCc2ccccc2Cl)c1 225777771 PZAIVZVIMAVKBO-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1 225899188 MCKJMGQMRQOQJI-NSHDSACASA-N 361.228 5.139 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2ccccc2C(=O)O)c1 257258983 KWJAHOBPKBFTDS-LJQANCHMSA-N 367.445 5.124 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1OCC 408565915 CIUPLJRZTAAOJE-ZRDIBKRKSA-N 353.462 5.143 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 408621975 OCPIXPPSNAKZKB-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Cc1nc2ccc(OC(=S)N(C)c3ccc4ccccc4c3)cc2nc1C 408734801 DYNHIAUOEUPRBY-UHFFFAOYSA-N 373.481 5.200 0 40 FKAB Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 408821231 FAIPJNXWKBCTJG-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 409113913 JKLKGPVKTOIOHS-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CCCC(F)(F)CC1 626556596 GACVEEMADWLUCF-UHFFFAOYSA-N 371.840 5.117 0 40 FKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OC(C)C)cc1 645418 WJHZNWWJXVMHPE-UHFFFAOYSA-N 364.445 5.251 0 40 FKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc21 835910 CGNKKABJALWHDL-UHFFFAOYSA-N 361.894 5.039 0 40 FKAB O=C1O[C@](c2ccccc2)(c2cccc3ccccc23)C[C@@H]1c1ccccc1 1587889 PNJGNAASVBVSPS-ZEQKJWHPSA-N 364.444 5.814 0 40 FKAB CCCCCCN(CCCCCC)C(=O)c1cc2ccccc2oc1=O 2772846 KRTYKJZNFGMMCT-UHFFFAOYSA-N 357.494 5.396 0 40 FKAB CCN(c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1)C(C)C 3451088 PWORJLKAGCIWNP-UHFFFAOYSA-N 352.812 5.105 0 40 FKAB CC1CCN(Cc2nc(Cl)c3c(-c4ccccc4)csc3n2)CC1 3887554 OZMDUGZAUOMGGV-UHFFFAOYSA-N 357.910 5.244 0 40 FKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3C)sc(C)c2C)cc1 4129670 ZEVHJGCNAARDML-UHFFFAOYSA-N 363.482 5.465 0 40 FKAB CCCC[C@H](CC)CNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699959 UOKJYKAECCVMTM-MOPGFXCFSA-N 374.569 5.497 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 4863255 HDPBXTWXTZJAAJ-JTHBVZDNSA-N 374.871 5.891 0 40 FKAB C(=C1\CCC[C@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1)\c1ccco1 4887034 YKWQHZUENZGCQI-COJQAFIMSA-N 354.453 6.081 0 40 FKAB Cc1cccc(Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)n1 5346241 IRHYGZCVLAJWPM-UHFFFAOYSA-N 358.357 5.190 0 40 FKAB Cc1nc(C)c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)s1 5587355 RZJIJJSBOPYGIB-UHFFFAOYSA-N 350.874 6.296 0 40 FKAB Cc1sc(NC(=O)Cn2c(C)cc3ccccc32)nc1-c1ccccc1 6044209 SKWVSICBPFNJRP-UHFFFAOYSA-N 361.470 5.020 0 40 FKAB CCCOc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 6265134 NSQKQVLUGYPSKW-UHFFFAOYSA-N 360.866 5.299 0 40 FKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6324250 AEJUDPOKUSGAHK-UYRXBGFRSA-N 367.470 5.020 0 40 FKAB Cc1ccsc1[C@H]1Nc2ccccc2[C@@H]2c3[nH]c4ccccc4c3CCN12 6674708 RMSNLCWEXPLUNX-GGAORHGYSA-N 371.509 5.610 0 40 FKAB Cc1ccc(-c2nnn3c2nc(NC2CCCCCC2)c2ccccc23)cc1 6738885 ZNEBFFBULWTVDX-UHFFFAOYSA-N 371.488 5.388 0 40 FKAB CC(C)Sc1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)cc1 7599105 OUCLGKWGLOKFDA-UHFFFAOYSA-N 362.907 5.703 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2cccnc2)cc1 8419370 RZYHMUJMDMSUBX-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(C)cc3)n2)c1 17075905 ATTPKZDFVVGJPY-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB CCCCOc1ccc(NC[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 19738151 DPFUSPDWPMMWPV-TZIWHRDSSA-N 369.549 6.649 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cccc(Cl)c3)ccc2c1 21916395 SEUORTJDVUOQKY-HNNXBMFYSA-N 367.876 5.264 0 40 FKAB CCOc1ccc(-c2c(-c3ccccc3)nc3n2Cc2ccccc2-3)cc1 27788909 VQMAZYJAZBHCPQ-UHFFFAOYSA-N 352.437 5.645 0 40 FKAB CC[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC(C)=C1c1ccccc1C 31830010 UDMSAUKWVVBPKY-LJQANCHMSA-N 360.501 5.577 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO 34131815 SQKRUBZPTNJQEM-ZZVCKNSQSA-N 361.570 5.629 0 40 FKAB CCc1ccc([C@@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 40485322 VIKRWDXQONADCJ-HSZRJFAPSA-N 369.464 5.302 0 40 FKAB Brc1cc(-c2ccccc2)ccc1OCC[C@H]1CCCCN1 42770535 PLJJNSLSESAFPK-QGZVFWFLSA-N 360.295 5.027 0 40 FKAB Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)cs2)o1 45713398 VYGULEXRUXSVKV-UHFFFAOYSA-N 367.257 5.200 0 40 FKAB CC(C)c1nnc(CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)o1 84631258 RLWRANJRSVKTME-UHFFFAOYSA-N 366.292 5.179 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 100654192 OFMUMLMIAVJVSV-FQEVSTJZSA-N 352.865 6.211 0 40 FKAB C[C@]12CC=C(N3CCCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118935507 RCEDLDDSTBBSOK-FUSUFLOUSA-N 357.582 5.370 0 40 FKAB Cc1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 211147338 LGJOPMWCLVIXEO-GOSISDBHSA-N 360.910 5.361 0 40 FKAB CCCCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 224058058 PFTXLGHAVBWEOA-UHFFFAOYSA-N 353.853 5.121 0 40 FKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1Cl 225523314 DUOOMWRIXAVANT-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225549210 ZVPIQIJESJJDME-UHFFFAOYSA-N 355.453 5.292 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCC1 225656640 ZCQMHCBACUPPMR-UHFFFAOYSA-N 367.489 5.334 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225690296 HHJHFIKCGZMCOZ-HSZRJFAPSA-N 369.505 5.354 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1C 225706103 FMXGLSYBOLIXJZ-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB COc1ccccc1NC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225765249 XMZKZKRNKBNFIO-GOSISDBHSA-N 366.461 5.043 0 40 FKAB CC(C)c1ccc(C(=O)n2c3c(c4cc(Cl)ccc42)CCCC3)cc1 227158268 ZXHAKRMAZUEBJK-UHFFFAOYSA-N 351.877 5.985 0 40 FKAB CO[C@H](C)C(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl 253613844 OOFAMTSIPWSZND-SNVBAGLBSA-N 373.663 5.178 0 40 FKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 408587788 UPFRNDXLGTZSNF-UHFFFAOYSA-N 367.832 5.783 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 408620602 HQXDFTOCIREGFQ-CYBMUJFWSA-N 368.502 5.444 0 40 FKAB CCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409175349 XPWBFASOAMIIPD-HYUJZPPJSA-N 374.528 5.513 0 40 FKAB CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)ccc2o1 589942966 YZROPMXQHYRUPF-UHFFFAOYSA-N 367.836 5.267 0 40 FKAB O=C(NCc1ccccc1Cl)c1cc(-c2ccco2)nc2ccccc12 621476160 XDBRXALKVKMTOL-UHFFFAOYSA-N 362.816 5.078 0 40 FKAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 1006549 WTXFZRZEHBMOBD-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc(C)cc3)C2)cc1 1016827 OSMCJLRPRFJKKI-FQEVSTJZSA-N 360.482 5.356 0 40 FKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1C(F)(F)F 1448537 GFPGRTKMFSLGQY-UHFFFAOYSA-N 369.342 5.786 0 40 FKAB CCOc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 1468146 YGKGEWQCMUKHGJ-UHFFFAOYSA-N 367.900 5.210 0 40 FKAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1 2301602 WDACZTJZTOCMSG-UHFFFAOYSA-N 360.844 6.073 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)Nc1ccccc1Cl 2559270 OZBTZOHKAKRGBD-UHFFFAOYSA-N 350.127 5.051 0 40 FKAB CCc1cccc(CC)c1NC(=S)Nc1ccc(Cl)cc1Cl 2659678 LTFIXHBVQUYNCI-UHFFFAOYSA-N 353.318 5.927 0 40 FKAB Cc1ccccc1-n1nc2c(c1NC(=O)CCC1CCCCC1)CSC2 3912431 SZWXBUGTZJUKNA-UHFFFAOYSA-N 369.534 5.227 0 40 FKAB O=C1O[C@H]2CCCC[C@@H]2C2(CCCCC2)[C@@H]1CCCCNc1ccccc1 3999241 OZRXHOCLDHJQJT-BDTNDASRSA-N 369.549 5.951 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4074053 NELMHAIFXJZDST-OUJNNOLASA-N 370.533 5.396 0 40 FKAB biogenic Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)c2ccc(C)cc2)cc1 4129672 GAEKTPNNGWVYLZ-UHFFFAOYSA-N 363.482 5.465 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4156239 LPRJEJFJTJIBCH-LLVKDONJSA-N 371.333 6.272 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3cc(Cl)sc3Cl)n2)o1 4174171 UKXWRCJOWBTNJG-UHFFFAOYSA-N 359.259 5.332 0 40 FKAB CCCC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 4703922 ZLRXSHCAJILPRE-UHFFFAOYSA-N 350.752 5.165 0 40 FKAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(Cl)cc1 4887232 OLJSVJRJJXKBQE-AWEZNQCLSA-N 355.890 5.463 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 6409636 XWYKKUSKMPDNRS-GLEZIHRCSA-N 367.301 5.609 0 40 FKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(Cl)c1 6789034 IGJZVMWYXFFPBI-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB COc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 7538391 RFTPJSWUJAKYNF-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccccc1Sc1nc(Cl)cs1 9112336 LVYCKPNVCIYDRM-UHFFFAOYSA-N 364.854 5.339 0 40 FKAB Cc1ccc(SCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10357305 SXUQSBUFFKMHMW-UHFFFAOYSA-N 355.547 5.134 0 40 FKAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12586425 FNBOIQTVVFDSBE-CQSZACIVSA-N 365.502 5.120 0 40 FKAB CCc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 13810633 LUUCKQMJUCSYEW-JTHBVZDNSA-N 353.469 5.745 0 40 FKAB O=C1[C@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 18243891 COXAAIGTNDLOER-VNQPRFMTSA-N 374.267 5.067 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C 20489427 FFYJNFOCQVAHEP-MRXNPFEDSA-N 354.302 5.811 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 21141816 HRQSDWAJTNHPNS-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 22531314 LJJQYEXQTUKKBD-GOSISDBHSA-N 374.267 5.943 0 40 FKAB Fc1cccc(-c2noc(Cc3nc(-c4ccccc4Cl)cs3)n2)c1 33298159 MKMSPXCJHDUDDF-UHFFFAOYSA-N 371.824 5.243 0 40 FKAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2cccc(Cl)c2)cc1 35616147 LRGJGZAFROWNOW-UHFFFAOYSA-N 370.239 5.757 0 40 FKAB Cc1ccccc1[C@H](NC(=O)CSCc1ccccc1)c1ccccc1 38755578 MPFDXDXNINAQOH-HSZRJFAPSA-N 361.510 5.134 0 40 FKAB CSc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 44901280 CLSIRAJCBYTVPH-UHFFFAOYSA-N 372.342 5.587 0 40 FKAB Cc1nccc(-c2cccc(NCc3cc4ccccc4nc3Cl)c2)n1 48302514 UWVBGGDSMSGVCL-UHFFFAOYSA-N 360.848 5.266 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)NC1CCC(C(F)(F)F)CC1 48312377 CAKIRHLABIERMI-UHFFFAOYSA-N 355.187 5.236 0 40 FKAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 49548499 UEYNEIZHGJCNJY-JTQLQIEISA-N 362.216 5.111 0 40 FKAB Clc1cc(Cl)cc(Nc2nc(-c3cccc(Cl)c3)cs2)c1 67321880 YEXHOURGKJRWBI-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CC(C)CNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213345 XKFLCPULKJZBBB-HXUWFJFHSA-N 367.493 5.013 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80345000 UDQZCNMIBXOOCA-HUUCEWRRSA-N 374.189 5.754 0 40 FKAB CC(C)C[C@H](CSC(F)(F)F)NCc1cccc(Br)c1 95918383 BJRDYGNCUHRLLW-CYBMUJFWSA-N 370.278 5.206 0 40 FKAB CN(C)c1ccc([C@H](/C=C2\C=Cc3ccccc3N2C)c2ccccc2)cc1 100365580 DMFRMHILNMGLRN-FLXPQLCOSA-N 366.508 5.932 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccccc5C)(C4)C2)C3)cc1 100846463 VIAZCZQNNMVQIY-SCAKWATOSA-N 359.513 5.780 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc2ccccc2c1 222816250 DSGDMJOTSGZYJH-OAQYLSRUSA-N 367.876 5.275 0 40 FKAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(C)c(C)c1 225361745 NGRKEEFOJAULGH-IBGZPJMESA-N 364.316 5.810 0 40 FKAB Cc1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225502567 CYPNRMHAOUFYMC-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225823017 WOIKRKVKEULKMG-OPAMFIHVSA-N 357.494 5.551 0 40 FKAB Clc1ccc(Cl)c2c1CCc1ccc(Br)cc1CC2 256055184 ZPKPJZTWTUQQBF-UHFFFAOYSA-N 356.090 5.640 0 40 FKAB O=C(NCc1ccc(Cl)cc1)N[C@@H](c1ccsc1)c1cccs1 390826903 RDWJNKSBQGJQKV-INIZCTEOSA-N 362.907 5.052 0 40 FKAB CSc1nc(Oc2cc(C)c(Cl)c(C)c2)cc(-n2nc(C)cc2C)n1 632512 QOXZRBRXOSNZKY-UHFFFAOYSA-N 374.897 5.064 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cccc(C)c2)cc1 1437744 RPQJOCLWZCANMH-QHCPKHFHSA-N 355.481 5.557 0 40 FKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)cc1 1447670 ZETWKNRKRGQCRT-UHFFFAOYSA-N 372.447 5.581 0 40 FKAB CCCCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 2672626 IQJSVVPWUHOEJL-XDOYNYLZSA-N 356.922 6.293 0 40 FKAB COc1cc2c(cc1OC)[C@H](C)N(CC1(c3ccccc3)CCCC1)CC2 4029860 HXXADRUXTPPUBK-SFHVURJKSA-N 365.517 5.135 0 40 FKAB biogenic Cc1[nH]c2c(cc(C)c3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1C 4535362 YFFHZAVTLLAYOH-UHFFFAOYSA-N 362.476 6.975 0 40 FKAB Cc1c(-c2sc3ccccc3c2C)nc2ccccc2c1-c1ccccc1 5587382 GRFCDUFNNOWGSV-UHFFFAOYSA-N 365.501 7.400 0 40 FKAB CC(C)c1ccccc1NC(=O)CSc1ccc(Br)cc1 5672945 IRJXEDBKVNQPGE-UHFFFAOYSA-N 364.308 5.303 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 6159667 AAHDYTPJVBWVBY-UHFFFAOYSA-N 372.896 5.227 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 6243336 QLIQZVZLGGHJRC-UELRPHRMSA-N 372.921 5.380 0 40 FKAB Cc1cc(Nc2ccccc2)nc(SCc2nccc3ccccc23)n1 6275819 RZLLUBCGNQGOGQ-UHFFFAOYSA-N 358.470 5.369 0 40 FKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)c1 6340065 WIIZJUKRBACEMJ-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB O=C(Nc1ccccc1)c1cc2cc(Cc3ccccc3Cl)ccc2o1 6344467 LHVSXOMMRKJBAU-UHFFFAOYSA-N 361.828 5.929 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 7996230 UDQMIRXMUSEXDD-CQSZACIVSA-N 350.487 5.884 0 40 FKAB O[C@](/C=C\c1ccccc1)(Cc1cc(-c2ccccc2)[nH]n1)c1ccccc1 8652243 LEJPMTCEIUFHGJ-AQLJSXSMSA-N 366.464 5.220 0 40 FKAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccccc1 8986421 LECWUIJOFZKPSG-JPYJTQIMSA-N 356.469 5.274 0 40 FKAB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@H](c2ccccc2)C1 9419736 SLFVTTDKPKXLQP-GOSISDBHSA-N 353.878 5.791 0 40 FKAB C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)c1ccc2c(c1)CCC2 12364895 ARJFHPYBSLEVOX-OAHLLOKOSA-N 356.421 5.725 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1Cl 13786584 CLBRERHCGFMHGG-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 16161546 FQQFOHJEMRTPSO-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB Fc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2Cl)cc1 17075352 LNIKORAEUBOBQD-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB CCCCC/C=C/C/C=C\CCCCCCCC1=N[C@@](CC)(CO)CO1 17148022 XAJXPLMBNBLPIW-PUXKVJHDSA-N 363.586 6.370 0 40 FKAB COc1cccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690778 JWLVNMRAAPNPRN-QHCPKHFHSA-N 372.468 5.043 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1Cl 20488972 WWELPQWMYBIXSF-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 26424389 GNRUJYFJJPBTKC-UHFFFAOYSA-N 355.677 6.162 0 40 FKAB O=C(CCCc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc(F)cc1 32901524 YZQCJHHQCRKWES-GOSISDBHSA-N 368.477 5.122 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1C 44856408 ZKNQJRWTDLSMKQ-PXNSSMCTSA-N 364.533 5.026 0 40 FKAB Clc1ccc2c(c1)OCCC[C@@H]2NCc1cnc(-c2ccccc2)s1 95460393 NPNZHYIFAYOAMQ-SFHVURJKSA-N 370.905 5.467 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1C 219238877 ZKNQJRWTDLSMKQ-YLJYHZDGSA-N 364.533 5.026 0 40 FKAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219572823 ABKFUEXSYOMXPO-DNVCBOLYSA-N 357.469 5.158 0 40 FKAB CCSc1ccccc1C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219648335 ZJNWMRRJDIKZQD-IBGZPJMESA-N 357.519 5.324 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 222972289 GEQNMKVBCMPGJB-NHCUHLMSSA-N 353.506 5.345 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C 223464233 JVRLLAHIPKPWCZ-OALUTQOASA-N 353.506 5.380 0 40 FKAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1C(C)C 224562353 POEQEEZARNMYJV-UHFFFAOYSA-N 369.505 5.316 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c3ccccc23)CCCCC1 225852117 XGRGBHKHBLTQQP-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354912 ZPWVPQQCRAGNHP-UHFFFAOYSA-N 366.244 5.241 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3cccc(-c4ccccc4C(=O)O)c3O2)c1 257236517 HCOBDHKPZPOBOJ-VWLOTQADSA-N 372.464 5.687 0 40 FKAB S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccccc1 408574792 MSZKWTGLSWJPPX-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1C 409113786 NYLMJLMCHHKNBS-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 409384387 ARZDMCZUZPCTSG-UHFFFAOYSA-N 361.297 6.051 0 40 FKAB Fc1cc(Cl)c(Oc2c(F)cc(C(F)(F)F)cc2F)c(Cl)c1 1504250466 QSOXNAJDDFQOAG-UHFFFAOYSA-N 361.068 6.222 0 40 FKAB COc1ccc(OP(=O)(Nc2ccccc2)Nc2ccccc2)cc1 658455 XYFQZPNTBUZGGN-UHFFFAOYSA-N 354.346 5.406 0 40 FKAB O=C(Nc1ccccc1)c1ccccc1OC(=O)c1cccc2ccccc12 683185 URABZJKQKJWOPL-UHFFFAOYSA-N 367.404 5.311 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1 1156990 ASMXBNYBIJRDSH-UHFFFAOYSA-N 358.372 5.400 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3)c2c1 2078822 PCBHDPLEDDTUHH-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB COc1cccc(-c2nc(Nc3ccc(C)c(C)c3)c3ccccc3n2)c1O 2252783 FXLMGZYDOZSAPR-UHFFFAOYSA-N 371.440 5.371 0 40 FKAB Brc1ccccc1Nc1ncnc2sc3c(c12)CCCC3 3339870 ACUYZZNEJGNCHM-UHFFFAOYSA-N 360.280 5.076 0 40 FKAB Cc1ccc(C(=O)CCCCCCCCC(=O)c2ccc(C)cc2)cc1 4963494 YRSDJIWALCOOJS-UHFFFAOYSA-N 350.502 6.490 0 40 FKAB CC1=C(c2ccccc2)CC(c2ccccc2)=NN=C1c1ccc(F)cc1 5523243 NPMAXTHOQPQGEI-UHFFFAOYSA-N 354.428 5.897 0 40 FKAB Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 6185030 HISSWFRUXDJVIK-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)C3CCCCC3)oc12 6768014 XGHZVTZCTBKOQU-UHFFFAOYSA-N 361.441 5.287 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(Br)cc2)c1 6965616 KTWLJJMZRWHVQC-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB O=C(CSCc1ccccc1Cl)Nc1ccccc1-c1ccccc1 7094232 BWQQMXBNIFZFHE-UHFFFAOYSA-N 367.901 5.879 0 40 FKAB Clc1ccc(COc2ccc(CNCc3ccccn3)cc2)c(Cl)c1 8436759 PTDKXTYQSJFXTQ-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 8480246 BRXBOVXGYUOTEF-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 8480249 BRXBOVXGYUOTEF-CQSZACIVSA-N 358.652 5.443 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 8558328 SQKQUTHOBLHVBV-UHFFFAOYSA-N 365.951 5.363 0 40 FKAB Cc1nc(CSCCC(=O)Nc2ccc(Cl)cc2Cl)cs1 9065867 DFKOJXAPBDFIBK-UHFFFAOYSA-N 361.319 5.020 0 40 FKAB COc1ccc([C@H](NC(=O)N[C@H](C)c2cc3ccccc3o2)C(C)C)cc1 9869461 CHBLRAHVDNKZPW-QVKFZJNVSA-N 366.461 5.199 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10119993 BMLUAUXHKJQXIK-UHFFFAOYSA-N 356.425 5.233 0 40 FKAB CCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1c(C)cccc1C 12622452 ZVVPHKHXTOQTIX-LNVKXUELSA-N 354.494 6.005 0 40 FKAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1nc(C(C)C)cs1 19718266 VCCUYNWQUMANBB-UHFFFAOYSA-N 361.854 5.136 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20238750 ZGLXTXMCWYZPIG-LLVKDONJSA-N 373.827 5.619 0 40 FKAB Cc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1C 22519807 ROVGGPVUNZRBBO-UHFFFAOYSA-N 356.469 5.118 0 40 FKAB FC(F)(F)c1cnc(-c2ccnc3c(-c4ccccc4)cnn23)c(Cl)c1 22996681 VQOWFADPCAGTBO-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)cc1 23115002 YAHVPGPQDIDTHW-UHFFFAOYSA-N 358.445 5.155 0 40 FKAB CC(C)c1noc([C@H](C)Sc2ncc(-c3ccccc3)n2C2CC2)n1 27815501 QYCNBSUNOCIXBC-ZDUSSCGKSA-N 354.479 5.245 0 40 FKAB Cn1ccnc1[C@@H](NCc1cccc2ccccc12)c1ccc(Cl)cc1 40012136 MAZHBMQXJCGOGZ-NRFANRHFSA-N 361.876 5.106 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 40995178 UNUXGBUMQKHYOK-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838244 BKPXXCUUNWOUHG-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 44900432 XPWLXKIFUXERMG-CQSZACIVSA-N 357.759 5.155 0 40 FKAB CCOC(=O)/C=C/c1ccc(-c2cc(C)c(Br)c(CC)c2)o1 45889514 MWJREORLDDTWFC-VQHVLOKHSA-N 363.251 5.156 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)OCc1ccccc1Oc1cccnc1 58168036 HBPIHRXETULHKS-UHFFFAOYSA-N 372.424 5.031 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)c(Cl)c2)cn1 64448334 DURAJEZNNOXHQV-HNNXBMFYSA-N 365.864 5.469 0 40 FKAB C[C@]12CC[C@@H](C3CCCC3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118935623 PJCQKJZWYFPASB-HHFQUTRZSA-N 358.610 6.587 0 40 FKAB COc1ccc(C(=O)CCc2ccc(-c3ccccc3Cl)o2)cc1F 199766780 MEJDJSJXQKXDMP-UHFFFAOYSA-N 358.796 5.563 0 40 FKAB Cc1c(C=O)c2ccccc2n1C(=O)c1cccc(OCc2ccccc2)c1 216942200 IPCTZFWBWDBZQC-UHFFFAOYSA-N 369.420 5.030 0 40 FKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C)cc1C 218979555 UKFICSWAGMTUKI-DEOSSOPVSA-N 373.496 5.764 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(OC(F)(F)F)cc1 224893111 PPBSDIXOMWGAOR-UHFFFAOYSA-N 359.347 5.310 0 40 FKAB CC(C)(C)c1ccc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225093740 QTLBKCQMGPEQPZ-KRWDZBQOSA-N 366.379 5.078 0 40 FKAB CC[C@@H](CNC(=S)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1 225631696 BFGFOWWNADXXSR-CQSZACIVSA-N 366.452 5.261 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 257373166 KYUZKRJIOGSDGT-NLPYHPQYSA-N 372.549 5.022 0 40 FKAB CCn1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc21 408633232 JENRJFYBURPIIJ-WQRHYEAKSA-N 364.426 5.020 0 40 FKAB Cc1nccc2c(NC(=O)c3ncoc3-c3ccccc3Cl)cccc12 1776005038 YPLSKVIOQMYWLQ-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB O=Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 797401 LIFZPHDRVIMFLU-UHFFFAOYSA-N 352.393 5.415 0 40 FKAB CCCCOP(=O)(Cc1ccc(Cl)c(Cl)c1)OCCCC 1737467 VQXIGOHNFWMFLY-UHFFFAOYSA-N 353.226 6.320 0 40 FKAB CCC[C@H](C(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1ccccc1 3416998 XKUKRVUAAFJWSQ-SFHVURJKSA-N 364.514 5.949 0 40 FKAB CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC 4171225 UCLGIKKXOIONJU-KGZUAYNTSA-N 351.534 5.656 0 40 FKAB COc1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 4690452 LJHQKNRRORWXGL-SNVBAGLBSA-N 365.216 5.192 0 40 FKAB Cc1cccc(-n2c(/C=C/c3ccccc3C)nc3ccccc3c2=O)c1 4889066 YYWQVEABZIJOIR-CCEZHUSRSA-N 352.437 5.173 0 40 FKAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5460518 WXXUDHMZGZRWAQ-UPVQGACJSA-N 367.496 6.306 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5540282 GKTJXVLNCXURQU-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1C 6205770 CURVIDBTIMVOPD-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB O=C(O)c1cc(/C=C/c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12 6345126 JIQFQYBRZCADOR-MDZDMXLPSA-N 359.356 5.503 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 6845279 WQRYFXZWCFPETA-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB COc1cc(CNCc2ccccc2)ccc1OCc1ccccc1Cl 8472180 RZYKYCBZRKUDPS-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB CCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)c1 11916522 CGXBGFBOBVAFHV-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB O=P(Nc1cccnc1)(Oc1ccccc1F)Oc1ccccc1F 12590697 HKWXJSZXRVXTSP-UHFFFAOYSA-N 362.272 5.038 0 40 FKAB Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1C 12775190 TXTVDBLNECLABC-UHFFFAOYSA-N 363.417 5.101 0 40 FKAB CC(C)c1ccc(NC(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc1 13096150 JOYVJFPISPUMLM-UHFFFAOYSA-N 352.522 5.178 0 40 FKAB Fc1cccc(/C=C2\CCCC3=C2NC(=S)N[C@@H]3c2cccc(F)c2)c1 13636088 VSFDQQLOLZOVPE-YNEJIKTKSA-N 368.452 5.005 0 40 FKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@@]1(CCC[C@@H](C)C1)O3 13655091 JXNJBNZHPPYGOK-FATZIPQQSA-N 368.473 5.358 0 40 FKAB Cc1cc(C(=O)NCC(c2ccccc2)c2ccccc2)c(C)n1C1CC1 14122780 XFNRCLQYIINCHY-UHFFFAOYSA-N 358.485 5.002 0 40 FKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cc2ccccc2s1 15641574 ZNAPGSLKIWJAFM-UHFFFAOYSA-N 367.861 5.052 0 40 FKAB O=C(CCC1CCCCC1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 16428223 HEEPCARXTYFZRG-UHFFFAOYSA-N 357.881 6.431 0 40 FKAB CC(C)C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 20110517 CGNKHJLLCPZEAD-POQGPQTDSA-N 369.508 6.131 0 40 FKAB Cc1ccc(-c2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1 20369275 XLVBFEXJNKFTFF-UHFFFAOYSA-N 350.418 5.075 0 40 FKAB O=C(CCC1CCCCC1)Nc1ccc(F)cc1C(=O)Cc1ccccc1 20510143 UWPOQOOIFIGSLC-UHFFFAOYSA-N 367.464 5.550 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)c(C)c1 20672194 VGRWZZIPHVCSBT-AWEZNQCLSA-N 363.436 5.137 0 40 FKAB CCc1ccc([C@@H](NC(=O)Nc2ccccc2F)c2cccs2)cc1 24769874 APXJQZRDNMUNJK-LJQANCHMSA-N 354.450 5.361 0 40 FKAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2ccc(Cl)cc12 27663414 KXZPQAUPFYWMQJ-UHFFFAOYSA-N 369.804 5.423 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 30823387 QTTKXUVFAFOLAC-UHFFFAOYSA-N 357.251 5.464 0 40 FKAB Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 30857583 HGFWTGMCYFPYMA-UHFFFAOYSA-N 363.482 5.418 0 40 FKAB O=C(O)CCc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 38342474 CKUQHJJNVUDLOH-UHFFFAOYSA-N 368.436 5.224 0 40 FKAB in-vitro Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38849645 UHEVLRZIWQHYHD-UHFFFAOYSA-N 356.897 5.277 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 44884310 NGVAMQHULZDRMN-CBTVAOKPSA-N 371.480 5.503 0 40 FKAB COc1ccc([C@H]2CN[C@H](c3ccccc3)c3[nH]c4ccccc4c32)cc1 83943991 SSRVTXWLYQYDND-NFBKMPQASA-N 354.453 5.001 0 40 FKAB Cc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3o2)cc1 95116522 SVFCMGHABWRSLW-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSCc1ccccc1 218998915 JGOANGCCWNJONR-LJQANCHMSA-N 369.530 5.037 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1C 219303344 SPFCFCSDUVAKGK-TZIWHRDSSA-N 353.506 5.264 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc2c(c1)CCCC2 223086004 CTIJFJQKHJOSLI-QRWLVFNGSA-N 371.908 5.254 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CSc2ccc(C)cc2)cc1C(C)C 223266905 FIBLDNZZBGFCJO-KRWDZBQOSA-N 371.546 5.405 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223273356 CPWWVBUVEDKXQD-UZUQRXQVSA-N 365.517 5.163 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225517994 VOVKRTZXKOTPGD-UHFFFAOYSA-N 355.453 5.292 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225653261 YBXNCXFFKIIKGF-JOCHJYFZSA-N 363.542 5.795 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225844184 YKZYWBBAMXGURJ-JOCHJYFZSA-N 357.494 5.551 0 40 FKAB CC/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253492241 PCFLWNUQAQQXOU-LSUXBYDBSA-N 358.566 6.297 0 40 FKAB CCCC[C@H](CC)CN1CN2CN(C[C@H](CC)CCCC)C[C@@]2(C)C1 255988500 MSJBLPVXRJMJSY-ZBYYUNFXSA-N 351.623 5.026 0 40 FKAB in-man C[C@@H]1O[P@](=O)(Nc2cc(Cl)ccc2Cl)O[C@@H]2CCCC[C@H]12 301054483 UARSWUVSJHAZAE-FFFLTYEUSA-N 350.182 5.508 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c1 409112841 CGCWQPKSDVCCCH-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)c3cccs3)c2)OCC1(C)C 1080152 FVFSYBBDHHGEMH-HKUYNNGSSA-N 359.491 5.097 0 40 FKAB Cc1cc(C(=O)CSc2ccc(Cl)cc2)c(C)n1Cc1ccccc1 1465359 QWJLCNPTTHJDHU-UHFFFAOYSA-N 369.917 5.782 0 40 FKAB Cc1ccccc1OCCCn1c(Cc2ccccc2)nc2ccccc21 2713382 CATCKLCFHAPJSK-UHFFFAOYSA-N 356.469 5.405 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccccc1Cc1ccccc1 3249067 MJHAIVCVUQPBHH-UHFFFAOYSA-N 371.263 5.732 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 3368253 ZHZVZGDRGHJZEV-CYBMUJFWSA-N 366.288 5.831 0 40 FKAB Cc1cc2nc(/C=C/c3ccccc3)n(Cc3cccc(F)c3)c2cc1C 4050616 UNJQCZAYSGTECC-VAWYXSNFSA-N 356.444 6.011 0 40 FKAB CCN(CC)CCC[C@@H](C)N(C)C[C@@H](C)CCC1=C(C)CCCC1(C)C 4683522 RNSPTPSTLRQBMR-RBBKRZOGSA-N 364.662 6.372 0 40 FKAB CCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4739564 OQXRMWIHKUUFDT-UHFFFAOYSA-N 359.800 5.723 0 40 FKAB Cc1ccc(-c2nnc3c4ccccc4n(Cc4ccc(F)cc4)cc2-3)cc1 5028607 DSTXVHUSBHFFDB-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB O=C1S/C(=C\c2cccs2)C(=O)N1c1ccc(Cl)c(Cl)c1 5174133 ZRKPQRWIQYUMCP-GHXNOFRVSA-N 356.255 5.296 0 40 FKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)cc1 5849013 RRMBWABWGDDSFI-FCQUAONHSA-N 364.514 5.963 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C12CC3CC(CC(C3)C1)C2 5889791 NPIHVDZHCFHAGR-UHFFFAOYSA-N 357.803 5.514 0 40 FKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4OCCC[C@]4(C)[C@@H]3CC[C@]12C 6255709 WDXZKZJDWQVKNV-VSKUCKLRSA-N 374.653 7.487 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(OCC)cc3)sc2c1 6398125 ALVIOIXSOSTHFX-UHFFFAOYSA-N 354.475 5.290 0 40 FKAB COc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1Cl 7539549 VUKMSDJONAIKIQ-UHFFFAOYSA-N 371.908 5.523 0 40 FKAB Cc1nc(Nc2ccc(Cl)cc2)sc1C1=NO[C@@H](c2ccccn2)C1 8715901 IKDFLHZGNYXLFU-MRXNPFEDSA-N 370.865 5.109 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Cl)c1 8851379 CSEOMGIMWCVSAY-NSHDSACASA-N 372.679 5.670 0 40 FKAB CCSc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 10252446 LBIJOTSZNXKMDG-UHFFFAOYSA-N 360.529 5.165 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)C1=C(c2ccccc2)SCCO1 12407005 PJASCTHTCLIIBU-UHFFFAOYSA-N 366.269 5.064 0 40 FKAB CSc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13717227 LLWHHHPTBQASER-UHFFFAOYSA-N 364.495 6.243 0 40 FKAB CCOC(=O)c1cc(Nc2ccc(C)c(F)c2)c2cc(Cl)ccc2n1 15829162 LFLVGVLLKPMZBN-UHFFFAOYSA-N 358.800 5.256 0 40 FKAB Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 17963559 IFMQQPGWCXUQKK-QGZVFWFLSA-N 367.452 5.096 0 40 FKAB Cc1c(CN(Cc2ccccc2)Cc2ccncc2)[nH]c2ccc(F)cc12 19565428 RNRNPDOVSFSSCV-UHFFFAOYSA-N 359.448 5.213 0 40 FKAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20633099 FRMFAYQEONLEGL-IBGZPJMESA-N 374.484 5.225 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22532004 HBJMESRJYLWUEC-GOSISDBHSA-N 350.506 5.294 0 40 FKAB COc1ccccc1-c1cc(COc2ccc(Cl)c(Cl)c2)on1 25058852 AKTNMNSDXCZUCG-UHFFFAOYSA-N 350.201 5.236 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2)cc1 33561555 KGRQARDJXIZCPH-DTQAZKPQSA-N 368.436 5.388 0 40 FKAB C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H]2CCCC[C@H]12 40090657 JFHQWHIMTAPJKK-ATZDWAIDSA-N 372.509 5.074 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 59351817 TVGJMYBLXHIGEF-VXKWHMMOSA-N 367.533 5.717 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(COCC2CC2)c1 60104340 GWKIXUYHUWLJPJ-UHFFFAOYSA-N 364.272 5.101 0 40 FKAB Cc1ccc(-c2csc(C(=O)Nc3ccccc3C)c2-n2cccc2)cc1 67245131 AGJIOHBZADHPGI-UHFFFAOYSA-N 372.493 6.075 0 40 FKAB Clc1ccc(CNc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 70461603 ZBLYNIZHVYKQBP-UHFFFAOYSA-N 369.251 6.414 0 40 FKAB O=Cc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 73635378 UTCMIDPLHODKKY-UHFFFAOYSA-N 352.640 5.192 0 40 FKAB O=C1[C@H](C[C@@H]2CCC[C@H](C3=CCCCC3)C2=O)CCC[C@@H]1C1=CCCCC1 100671788 PDNWKQHNXHCVTK-MYDTUXCISA-N 368.561 6.348 0 40 FKAB CC(C)c1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 102564591 LOVYBPWYHCHIQW-LJQANCHMSA-N 350.853 5.111 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1-c1cn2ccccc2n1 206898533 OQANJPROYJZMHZ-OUKQBFOZSA-N 373.843 5.307 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224422947 JWLKEPFPOZRPIZ-SFHVURJKSA-N 374.484 5.202 0 40 FKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c3c(cccc13)CC2 225199455 KGYVFHKMCWCNAY-INIZCTEOSA-N 371.480 5.223 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc(Cl)cc2)cc1 225306647 DQODOLHHTYGFJJ-FQEVSTJZSA-N 359.897 5.185 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)c1ccccc1OCc1ccccc1 225571736 KSAHUKKKDNTPHQ-UHFFFAOYSA-N 359.469 5.017 0 40 FKAB CCN(C(=O)Nc1ccc(Oc2cccnc2)c(C)c1)C1CCCCC1 524151091 QGOXTTJJXGFMJB-UHFFFAOYSA-N 353.466 5.369 0 40 FKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 689112 UQFRYNKMBJROLN-ZDUSSCGKSA-N 370.905 6.229 0 40 FKAB CC1(C)[C@@H]2C(Cl)(Cl)[C@]2(C)c2ccccc2N1C(=O)c1ccccc1 851569 BNWHOPCCXZHZPW-PKOBYXMFSA-N 360.284 5.187 0 40 FKAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3cccc(F)c3)nc2c1 924408 HYIJCEQILMJEGG-UHFFFAOYSA-N 354.450 5.030 0 40 FKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccccc1 955735 UJZCRLYJQRTJHB-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccccc3F)cc12 1293469 HGAPZZXNRBRECY-UHFFFAOYSA-N 370.420 5.625 0 40 FKAB biogenic Cc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1Cl 1805991 NCWWQMPLQDDVCO-UHFFFAOYSA-N 369.852 6.203 0 40 FKAB Cc1ccccc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 2397685 MKXVGFVRZLEIIE-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB c1ccc(-c2oc3ncnc(N4CCCCC4)c3c2-c2ccccc2)cc1 2701517 XMJWJBPBZFNVPA-UHFFFAOYSA-N 355.441 5.547 0 40 FKAB CCCCCC(=O)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 2702035 NFPCPUBVEXOENH-ZDUSSCGKSA-N 373.107 5.112 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)NCCCCc3ccccc3)sc2c1 2742684 PXHHDXDGFKGWFN-UHFFFAOYSA-N 357.906 5.616 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc2ccccc2oc1=O 2772459 PFGRUZBPFIOFNW-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB CC(C)CC[C@H](CCNC/C=C/c1ccccc1)[C@H]1CCOC(C)(C)C1 4085196 KVPNTTYXOXZHSK-KBBXVVEUSA-N 357.582 5.937 0 40 FKAB biogenic Cc1ccc(C(C)C)c(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1 5745007 PRGJRFSCXCJOKI-IBGZPJMESA-N 373.496 6.402 0 40 FKAB COc1ccccc1[C@H](Nc1cc(C)ccn1)c1c(C)[nH]c2ccccc12 5753056 FAPVYZAJYZEUOB-QHCPKHFHSA-N 357.457 5.390 0 40 FKAB COc1cc(CNCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 6883539 XAMGLFZGIPSGSV-UHFFFAOYSA-N 368.304 5.327 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 6965735 NFBIIBOOFQABLM-QUJCMNEKSA-N 373.374 5.539 0 40 FKAB Cc1cc(Nc2ccc(Br)cc2C=O)ccc1Br 8703713 JILCDJSHSUYMNO-UHFFFAOYSA-N 369.056 5.076 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10276462 RGKGVDKVIMFNSZ-LSDHHAIUSA-N 359.897 5.282 0 40 FKAB C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)c1ccc2c(c1)CCC2 12364897 LRBVAWRJMYIISQ-CYBMUJFWSA-N 367.901 5.740 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1Cl 13739379 XFPLZOLYBXNBDV-UZYVYHOESA-N 372.946 6.331 0 40 FKAB Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1 17135398 SQVCJTVEHDBPKZ-UHFFFAOYSA-N 365.433 5.071 0 40 FKAB CC(C)OP(=O)(OC(C)C)[C@@H](NC1CCCCC1)c1ccccc1F 19708238 MXQIKQOSQUPZTK-LJQANCHMSA-N 371.433 5.790 0 40 FKAB Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2)cc1 27795402 BXGAEVXSZMATAS-QHCPKHFHSA-N 354.453 5.338 0 40 FKAB C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl 32910063 LOJADDROKZDQFN-GFCCVEGCSA-N 372.292 5.224 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)N1c2ccccc2Sc2ccccc21 59244680 OBPRKKSOGDGDAK-UHFFFAOYSA-N 354.519 6.214 0 40 FKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1F 67296965 MXRKZORPJMKLIB-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O 71405938 XGLKDUGOKWXBRC-HTAPYJJXSA-N 371.436 5.162 0 40 FKAB CCCC(=O)Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1C 71483538 GDOGDMFWVWHMSP-UHFFFAOYSA-N 373.500 5.335 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CCC 72214757 UUJWQFUQRFNTGO-SFHVURJKSA-N 361.530 5.170 0 40 FKAB COc1ccc(O[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 80344460 KHNBIZBKJRECGW-FQEVSTJZSA-N 367.832 5.107 0 40 FKAB Cc1[nH]c(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccccc1 95468319 VYHCVHFIFNGWSN-UHFFFAOYSA-N 362.414 5.084 0 40 FKAB Cc1cc2oc(=O)cc(COC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)c2cc1C(C)C 103100347 YEFFADSCHKFGFX-BRWVUGGUSA-N 368.473 5.094 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(COc2ccccc2OC)cc1 107689310 ZQYVPQIFHIBVDK-UHFFFAOYSA-N 361.441 5.089 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(C)c(C)c1 218987895 UQWPULMWKWSIKI-HSZRJFAPSA-N 373.496 5.764 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccc(C)cc1C 219321974 FLENRKMUEVYWJD-RBUKOAKNSA-N 359.897 5.382 0 40 FKAB CC1(C)C[C@@H](NC(=O)CCc2cccc3ccccc23)c2ccccc2O1 222674477 QAHJACHSWCEJKC-OAQYLSRUSA-N 359.469 5.191 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 224054010 AMCIJLHEZDXRHX-FDDCHVKYSA-N 365.517 5.236 0 40 FKAB O=C(NCC1=CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 224275154 RZQQDEHVLDKDIH-UHFFFAOYSA-N 355.865 5.149 0 40 FKAB CCCCc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225128200 KJRRYPNPLAIDHD-NRFANRHFSA-N 354.490 5.401 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2C)cc1C 225599801 WOEZZCMPCCRWHK-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2ccccc12 225811431 QFPZMCNRJUBINB-WCCYLALTSA-N 369.505 5.551 0 40 FKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 409119523 UHYPYVGIAFGDER-UHFFFAOYSA-N 361.485 5.812 0 40 FKAB Brc1ccc(CNc2ccc3c(c2)oc2ccccc23)cc1 1772491499 SYOUFYFPCOAYIF-UHFFFAOYSA-N 352.231 5.961 0 40 FKAB O=C(NCc1cc(-c2ccco2)cs1)Nc1ccccc1C(F)(F)F 1775969091 XBOYRLYHGFHLCX-UHFFFAOYSA-N 366.364 5.349 0 40 FKAB Cc1ccccc1COc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1 639358 YWWXFTRVVNQMNQ-UHFFFAOYSA-N 358.393 5.685 0 40 FKAB biogenic O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 851707 HSRZKTUSZAYVIY-IBGZPJMESA-N 352.796 5.250 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CS(=O)(=O)c1ccc(C)cc1 1563404 IIMOCWXERPQCQP-QZAMUAOBSA-N 360.563 6.188 0 40 FKAB CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1600932 IAGHTXMWYUKASX-UHFFFAOYSA-N 359.274 5.059 0 40 FKAB CC(C)Oc1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1 2218080 UGOJCJLYIXQBFK-UHFFFAOYSA-N 359.429 5.289 0 40 FKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc2ccccc2c1 2289523 LZEFLTCSCZFBSC-LSCVHKIXSA-N 369.754 5.116 0 40 FKAB Cc1nn2c(NCCc3ccccc3)cc(C(C)C)nc2c1-c1ccccc1 2334687 WKMVHBBHISKHPW-UHFFFAOYSA-N 370.500 5.483 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cc1ccccc1 3361017 MAIFQBIOPFMYRI-UHFFFAOYSA-N 370.279 5.765 0 40 FKAB FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cn2c1 4024773 RQAPXCPNPAPYSE-UHFFFAOYSA-N 365.569 5.980 0 40 FKAB Clc1ccc(-n2ncc3c(Nc4cccc5ccccc45)ncnc32)cc1 4059368 VCSORGBEIFLCKG-UHFFFAOYSA-N 371.831 5.366 0 40 FKAB CCCC1CCC(c2ccc(C(=O)Oc3ccc(OCC)cc3)cc2)CC1 4314885 COTNZLSNYGTOSH-UHFFFAOYSA-N 366.501 6.378 0 40 FKAB c1ccc(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 4481484 WDOWVEBLZISJPC-UHFFFAOYSA-N 361.444 6.087 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(F)cc1 5685200 XVXBKNORUOCWDV-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB Cc1cccn2cc(CSc3ncc(C(F)(F)F)cc3Cl)nc12 7737935 MWUOSHUWZBEEGJ-UHFFFAOYSA-N 357.788 5.002 0 40 FKAB Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 9883946 KIMGNVDUDBZOBE-UHFFFAOYSA-N 367.452 5.024 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21)c1ccccc1 12375924 MHYNSJVWRVYYJJ-YHELAOLJSA-N 372.512 5.540 0 40 FKAB Cc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccsc2)cc1Cl 13656079 VEXXPDKOFFZALQ-AWEZNQCLSA-N 357.866 5.328 0 40 FKAB CC(C)=CCC/C(C)=C\COc1ccc2c3c(c(=O)oc2c1)CCCC3 13816344 SLSCVBBSAQXGND-LGMDPLHJSA-N 352.474 5.743 0 40 FKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1c(F)cccc1Cl 15008908 HUNLCIDQBKWWLN-BAGULLTOSA-N 373.836 5.272 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 17073605 CEKKHYSTKKSUAW-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 18037943 SITHMOVLUSCACU-ZZODZRLESA-N 352.305 5.098 0 40 FKAB CCOc1ccccc1-c1nnc(SCc2cccc3ccccc23)o1 21545574 RRDKPBZKXWEYSQ-UHFFFAOYSA-N 362.454 5.581 0 40 FKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)oc2cc1C 21578503 NYQJBMPYWYIGPB-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(F)cc1Cl 48325028 RUFHWKMMUOISLV-UHFFFAOYSA-N 368.839 5.368 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2C)c(F)c1 71326092 ICZUIDXEBZSEOP-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)C1CCCCC1 100673005 GNLNUADVACSSRZ-UHFFFAOYSA-N 363.482 5.447 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C 107039586 LZTDQABERXRTLL-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc(F)cc1Cl 215246124 OFLYOZDBLPUDTG-VDHUBAETSA-N 373.836 5.272 0 40 FKAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(C)c(C)c1 219006646 KHBJKYHIFPWOTD-VWLOTQADSA-N 371.524 5.970 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1 224086109 LBYHWTGLWINFNO-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB O=C(O)[C@@H](Cc1cccc2ccccc12)Oc1ccc(-c2ccccc2)cc1 225048605 QZISCDIMRVFENI-XMMPIXPASA-N 368.432 5.582 0 40 FKAB Clc1nc(-c2ccccc2)nc(-c2ccc3oc4ccccc4c3c2)n1 1772490914 SHXRJHODWWVKAQ-UHFFFAOYSA-N 357.800 5.758 0 40 FKAB CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1772492276 NTISSUBFZAIVDS-RGEGXMLJSA-N 370.577 5.686 0 40 FKAB Cc1cccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C 682503 QPLKKKRZKIPJIP-GOSISDBHSA-N 357.453 5.277 0 40 FKAB COc1ccccc1NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C 840274 XEPGBYGCMFBBTQ-JDKMENPHSA-N 369.464 5.177 0 40 FKAB C/C=C1/S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 973373 SJXHLYBHLLBQFR-DZEFXXGYSA-N 364.392 5.226 0 40 FKAB O=C(OCC(F)(F)F)c1ccc(COc2cccc3ccccc23)cc1 998788 RXNYJAFRZCBTAY-UHFFFAOYSA-N 360.331 5.138 0 40 FKAB Fc1ccc(-c2onc3ccc(-c4ccnc(-c5ccccc5)n4)cc23)cc1 1381948 UHVKHTYWDVQJKI-UHFFFAOYSA-N 367.383 5.758 0 40 FKAB Cc1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 1797629 OAASLICMHRPPKB-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB Cc1cc2n(n1)[C@@H](c1ccc(-c3ccccc3)cc1)Nc1c(C)cccc1-2 2178855 ROIBEUVQORPLRJ-DEOSSOPVSA-N 351.453 5.806 0 40 FKAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)O1 3058482 ZOPSSVKNJXPOEG-WOJBJXKFSA-N 370.876 5.811 0 40 FKAB O=C(NC1CCCCCCCCCCC1)c1ccc(Br)cc1 3184376 MOFRLXATQYRQTI-UHFFFAOYSA-N 366.343 5.852 0 40 FKAB COc1ccc(NC(=O)C[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4043223 UFAOAHSTSYHPOW-NQIIRXRSSA-N 367.489 5.013 0 40 FKAB biogenic Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc2ccccc2c1 4719196 OEHDLOAIFLRECJ-UHFFFAOYSA-N 353.849 5.599 0 40 FKAB C[C@H](Sc1c(Cl)cccc1Cl)C(=O)NCCC1=CCCCC1 5038125 BXWYQSGHJCFHPZ-LBPRGKRZSA-N 358.334 5.481 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1 5602465 FSLMXTXITAEZQX-UHFFFAOYSA-N 370.279 5.442 0 40 FKAB O=C(NC1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6252522 MILKMLNUWANBAE-UHFFFAOYSA-N 369.468 5.446 0 40 FKAB biogenic Cc1cccc(CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1 6478649 GMISPJGPLHTZCM-SXGWCWSVSA-N 361.825 5.024 0 40 FKAB Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)s1 8042095 TYTRVEAGHDSASJ-UHFFFAOYSA-N 354.500 5.504 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 10696694 WUYVFGMFIREHRD-UHFFFAOYSA-N 374.465 5.159 0 40 FKAB Cc1cccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 12867042 BZLFEVTUVVBFQG-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Br 13708948 QFVRPKKZZRMXFJ-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccs1 14258076 MGLUJCXCOGBAMD-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O[C@@H](C)c1ccccc1 16249827 YYHRNRFWDJRYJT-SFHVURJKSA-N 367.448 6.128 0 40 FKAB CCCCCSc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1 16808418 NCEDWBVXBHDXBO-UHFFFAOYSA-N 362.542 6.325 0 40 FKAB CCCOc1ccc(Nc2c(C(=O)O)cnc3ccc(Cl)cc23)cc1 19793873 BNKBQKHHAGTZRN-UHFFFAOYSA-N 356.809 5.119 0 40 FKAB Cc1noc(C)c1CCC(=O)Nc1ccccc1Sc1ccccc1 32882381 BRBUMUODSNTUAK-UHFFFAOYSA-N 352.459 5.014 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 35314102 JKWOHGHNCLECEC-UHFFFAOYSA-N 371.893 5.058 0 40 FKAB Cc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)ccc1Br 36620535 MOAYROQWCKHHCV-GOSISDBHSA-N 373.294 5.435 0 40 FKAB Fc1ccc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccnc3ccccc23)cc1 72380367 RFUBUHHBYMOAQG-JOCHJYFZSA-N 372.447 5.101 0 40 FKAB COc1ccccc1C(=O)c1c(CC(C)C)cc(C=O)cc1CC(C)C 95931958 QPXMCGIYMMUZJG-UHFFFAOYSA-N 352.474 5.136 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)CCCC2 223018654 LIAXENCYQXRAJX-IIBYNOLFSA-N 353.531 5.314 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CSc2ccccc2)cc1 223392844 IXQOLUYMWWZETI-GOSISDBHSA-N 355.547 5.925 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1Cl 224975707 FTQJMTYNVCDDSH-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)c(C)c1)CC(C)(C)O2 225672434 VEMSZOWBEWJBQW-SFHVURJKSA-N 354.519 5.201 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)c(C)c1 225867057 UCIKODGSGXQSOO-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2c(F)cccc2C(F)(F)F)c1 228948519 RFBYPYMADKEFDN-UHFFFAOYSA-N 370.346 5.621 0 40 FKAB CC1(C)[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)[C@@H]1C=C(Cl)Cl 1775975284 GNYBOVGEGSJLCP-CMPLNLGQSA-N 366.260 5.531 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 632717 HRDDAJCZQNTNHA-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 679101 OKSXLICBYNUOTD-UWJYYQICSA-N 358.485 5.519 0 40 FKAB Cc1ccc2cccc(OC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2n1 847213 MIZMQCRLDTXMNT-UHFFFAOYSA-N 363.800 5.676 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1 892239 QAHBQIQMIPMVKC-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1cc(C)c2nc(C)cc(C(=O)Nc3cccc(Cl)c3Cl)c2c1 920323 RRKDQYPGPAIKOS-UHFFFAOYSA-N 359.256 5.719 0 40 FKAB CCc1ccc(-c2ccc(C(=O)Nc3c(OC)cccc3OC)cc2)cc1 1337684 FKGRIXIGMGPKGH-UHFFFAOYSA-N 361.441 5.186 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 1413975 LIULQOZOIUYKAL-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB COc1ccc(C2=C[C@H](c3ccccc3C)c3ccccc3O2)cc1OC 1460355 IRWRFGVBPIFSHH-HXUWFJFHSA-N 358.437 5.578 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 3200051 VSKCTNGSTRAHDK-UHFFFAOYSA-N 358.441 5.004 0 40 FKAB O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(F)cc1)c1ccsc1 3219995 NHDDFSIHCUQQEV-WOJGMQOQSA-N 357.837 5.720 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1cccc(C(F)(F)F)c1 3242411 ZQKJVRQFLUCDTG-UHFFFAOYSA-N 354.378 5.143 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2oc3ccccc3c2C)cc1 3294846 FSOUAJXFHDZZQM-CQSZACIVSA-N 365.429 5.050 0 40 FKAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(C)s3)cc2)cc1 3338656 BYCQWHJFBHBBLD-UHFFFAOYSA-N 353.443 5.500 0 40 FKAB CCCOc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 4160176 PYDWUAKYNWMQEB-UHFFFAOYSA-N 370.836 5.345 0 40 FKAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3cccc4ccccc34)ccc21 5099478 QGCBHHNHRHHQHV-UHFFFAOYSA-N 372.468 5.027 0 40 FKAB Cc1ccccc1[S@@](=O)Cc1c(C(=O)c2ccccc2)oc2ccccc12 5218770 XGBZICVNTXHROB-HHHXNRCGSA-N 374.461 5.280 0 40 FKAB COC(=O)Nc1c2c(nc3ccccc13)-c1ccccc1C(C)(C)[C@@H]2OC 5464754 AHHNBAZHMCJAOH-HXUWFJFHSA-N 362.429 5.059 0 40 FKAB CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 5859615 KVZHTFTYKVPLFR-UHFFFAOYSA-N 350.418 5.122 0 40 FKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c(C)c1 6501561 RFKZSPQQDGSSTC-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB CCOc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1 6656462 HOMBOMQKFHDBFC-VMPITWQZSA-N 367.228 5.069 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1Cl 7684532 LMFWEQZFXZIVAJ-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8041434 AADDTVRRNHYMHU-UHFFFAOYSA-N 373.827 6.112 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 8562825 NBXGCHSZWUEGKF-QGZVFWFLSA-N 361.441 5.158 0 40 FKAB O=C(C1CCC1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 12576443 PQCMBFXQSWRZRD-UHFFFAOYSA-N 362.498 5.186 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccc(F)c(F)c3)ccc2c1 12739868 POYDNZWMLQDODI-KBPBESRZSA-N 369.411 5.108 0 40 FKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1C 16362735 OAHQINOFZUCMMA-LJQANCHMSA-N 361.485 5.433 0 40 FKAB Cc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)cc1 20632765 SPDDCMCQHYXOMA-MRXNPFEDSA-N 350.849 5.055 0 40 FKAB Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 32976243 LFSFEMDIYXQSSN-ZDUSSCGKSA-N 372.877 5.178 0 40 FKAB CCc1ccc2oc(Nc3nc4c(Cl)c(Cl)ccc4s3)nc2c1 57352957 HGPDPCBKTUNFFI-UHFFFAOYSA-N 364.257 6.050 0 40 FKAB Cc1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)ccc1Cl 71760943 RZAWNAPNIKLIGV-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1Oc1ccccc1 72212228 HSLYOZHPFPQYJN-SFHVURJKSA-N 354.450 5.336 0 40 FKAB O=CN(c1cccc(Br)c1)c1sc2ccccc2c1Cl 73632037 NJKAGXVHYLUMOP-UHFFFAOYSA-N 366.667 5.612 0 40 FKAB CC[C@@H](N[C@@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 95968426 PJSBTOJEZIVMGA-SCLBCKFNSA-N 355.482 5.455 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222748845 ASXXRACCPBZVFC-UHFFFAOYSA-N 355.890 5.043 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSC1CCCC1 222763415 QRZLIQBKNNGTPY-UHFFFAOYSA-N 353.531 5.001 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 222935160 UDWQWOWKUQONHI-YWZLYKJASA-N 357.469 5.158 0 40 FKAB S=C(NCc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 225279512 QCCZKWCSESKYCW-UHFFFAOYSA-N 364.539 5.466 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@@H](C)C1 225665701 JLBUYDSHFOJCFT-UZUQRXQVSA-N 373.537 5.630 0 40 FKAB CCOc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1 225763757 PFEUHIPGPBJPHS-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787238 KAPMFWKMJBZRJN-GFCCVEGCSA-N 364.283 5.129 0 40 FKAB Cc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1Cl 225852787 CPGJPKYKXZNQEX-UHFFFAOYSA-N 350.940 5.466 0 40 FKAB Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O 253505188 ARYVICLZGFZHAR-VJLFMBCXSA-N 368.565 5.207 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 408585500 GDTMXRRAVVGTBS-UHFFFAOYSA-N 358.652 5.688 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1Cl 408626013 ZAJYTHCLSMPRFU-UHFFFAOYSA-N 364.203 5.953 0 40 FKAB Cc1ccc(COc2ccccc2CNc2cccc(Cl)c2C)cc1 409109547 HBVBYXNKVQJTMT-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB O=C(CCc1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 409198261 BBUPBQJOINDVEX-UHFFFAOYSA-N 359.450 5.904 0 40 FKAB CCCc1nc(CC2CCCC2)c(C(=O)O)cc1-c1ccc(Cl)cc1 585265035 CTXGUEIMXXZYKY-UHFFFAOYSA-N 357.881 5.785 0 40 FKAB CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2974671 XRESNYBUBQTMRW-UHFFFAOYSA-N 362.864 5.563 0 40 FKAB Cc1ccc(C(C)(C)C)c(OC(=O)Cc2ccc(Cl)cc2Cl)c1 3248786 DTRJFRUZQZICBB-UHFFFAOYSA-N 351.273 5.747 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1Oc1ccccc1 3320398 WEQUASONWFRQDK-UHFFFAOYSA-N 373.235 6.143 0 40 FKAB CCc1ccc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 3332827 HRUOSXYAUIJMCH-UHFFFAOYSA-N 372.540 5.201 0 40 FKAB CC(C)CC[C@@H](CCNC/C=C/c1ccccc1)[C@H]1CCOC(C)(C)C1 4085195 KVPNTTYXOXZHSK-GZWJZLGDSA-N 357.582 5.937 0 40 FKAB biogenic COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 4321096 AZENJXAESMGCFO-QFIPXVFZSA-N 362.860 5.704 0 40 FKAB CCCCCOc1ccc([C@@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 4425428 AUFMKGRMGQMMSP-DNQXCXABSA-N 367.533 5.169 0 40 FKAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 5033323 PNZLESLPFILHQT-UHFFFAOYSA-N 353.805 5.363 0 40 FKAB Cc1cc(C)c(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 5521217 QEKADJDFSCEOFR-LJQANCHMSA-N 358.485 5.193 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)CSCCC12CC3CC(CC(C3)C1)C2 6086931 BGPPFUIVJOVPMU-DNBYOKIBSA-N 369.574 5.304 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 6154041 JNXGXPNQTVWWHF-CCEZHUSRSA-N 353.425 5.190 0 40 FKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 6554871 IQVWQIDRIMMYLP-GFCCVEGCSA-N 374.893 5.688 0 40 FKAB O=C(CCSCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 7685332 NMIARNUIPMSDTJ-UHFFFAOYSA-N 373.827 5.621 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1 9442409 QCMBJSCRGWHOGO-UHFFFAOYSA-N 368.889 5.196 0 40 FKAB CC(C)[C@@H]1CC(C)(C)c2ccc(OCc3ccc4nsnc4c3)cc21 12401276 KGOMQOTWCWAIIW-KRWDZBQOSA-N 352.503 5.691 0 40 FKAB CC(C)C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccccc1 12772197 JJUUNSWPDOHIAB-QGZVFWFLSA-N 364.258 5.105 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Br 13708950 QFVRPKKZZRMXFJ-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc(Br)ccc2Cl)c(Cl)c1 14669493 HBIINIIOBBYQHC-UHFFFAOYSA-N 373.077 5.625 0 40 FKAB Cc1ccc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)nc(C)n2)cc1 15859113 HISNKMWYEXQBCN-UHFFFAOYSA-N 367.452 6.296 0 40 FKAB CCN1[C@@H]2Oc3ccc4ccccc4c3[C@H]1Oc1ccc3ccccc3c12 19857407 KJRFUKZQUIVQNI-DNQXCXABSA-N 353.421 5.797 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccccc3OC)ccc21 20501894 NUZURRAHIPAVHU-NTCAYCPXSA-N 370.452 5.475 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccc(CN2CCCc3ccccc32)cc1 22516035 CYLWKTFJTGFLGX-UHFFFAOYSA-N 360.432 5.031 0 40 FKAB CC(=O)Nc1cccc([C@@H](C)NCc2ccc(-c3ccccc3F)s2)c1 28925003 QCHAECOOVCIIMT-CQSZACIVSA-N 368.477 5.363 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]2CCCC[C@H]21 39539000 LWVLKIGDNMJMIH-CRAIPNDOSA-N 372.896 5.109 0 40 FKAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccccc3F)o2)o1 48303733 MWKWMPFFRKKRTF-BBRMVZONSA-N 353.393 5.074 0 40 FKAB Cc1ccccc1C(=O)Nc1cc(NC2CCCCC2)c(N)cc1Cl 72229040 NZSDVLAKAWOFST-UHFFFAOYSA-N 357.885 5.228 0 40 FKAB CN(c1ccccc1)c1ccccc1NC(=O)c1ccc(-c2cnco2)cc1 89365557 PXERDYRQKNXCGA-UHFFFAOYSA-N 369.424 5.362 0 40 FKAB O=C(O)c1c(/C=C/c2ccccn2)nc2ccccc2c1-c1ccccc1 96026314 SAEATBDMHCKEAO-BUHFOSPRSA-N 352.393 5.165 0 40 FKAB Brc1cc(CNc2ccccc2)ccc1OCc1ccccc1 106978572 LHPCLBMSTAQETA-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 223116895 DFCBSRDBJKHURR-UHFFFAOYSA-N 373.540 5.952 0 40 FKAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964347 DWDRMOMTRLZMEI-UHFFFAOYSA-N 368.864 5.582 0 40 FKAB Nc1c(-c2ccccc2Cl)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225177452 VMFCKLOLMWVZOV-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1[C@H](C)CCC[C@H]1C 226330350 WLGWXDFQCBCHQO-HUUCEWRRSA-N 371.912 5.250 0 40 FKAB CC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 253532255 OXWZCBBGEYDJCU-LNAWWMEISA-N 356.550 5.894 0 40 FKAB biogenic,in-vitro Cc1cc(O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc(C)c1Cl 408702463 GIOQUJYHZDXIEJ-OAHLLOKOSA-N 353.849 5.516 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1Cl 812006 SKWWQWGQUUXEHB-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 859888 ZNQWZPSQWLYKGN-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1ccc2nc3c(c(Nc4ccc(Br)cc4)c2c1)CCC3 947017 MEMCODPLXZUUOL-UHFFFAOYSA-N 353.263 5.538 0 40 FKAB CC1(C)C[C@](C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21 1440846 VSHLILKLIDPGCI-GOSISDBHSA-N 369.244 5.086 0 40 FKAB FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1 1786432 SLXWUHRYVGVZMT-UHFFFAOYSA-N 365.664 5.087 0 40 FKAB CCCCCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2305648 WCKUNBAJJIEAGP-UHFFFAOYSA-N 373.547 5.373 0 40 FKAB Clc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(Cl)cc3)n2)cc1 3257554 VTRGXIMSBOEEHQ-UHFFFAOYSA-N 366.247 6.982 0 40 FKAB O=C1O[C@H]2CCCC[C@@H]2C2(CCCCC2)[C@H]1CCCCNc1ccccc1 3999242 OZRXHOCLDHJQJT-FKBYEOEOSA-N 369.549 5.951 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1 4151473 OFLWCQNVMZPNAV-RNPPMORTSA-N 361.485 5.805 0 40 FKAB CCSc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 4316704 VVRNQGJRBRJCJW-UHFFFAOYSA-N 373.481 5.594 0 40 FKAB O=C(Nc1ccccc1)O[C@@H]1CCCCC[C@H]1OC(=O)Nc1ccccc1 5774482 CXEUJQXHHJWTCM-RTBURBONSA-N 368.433 5.185 0 40 FKAB biogenic Cc1cccc(NC(=O)CSCCC23CC4CC(CC(C4)C2)C3)c1C 5972797 FKROJEMQVUTCBO-UHFFFAOYSA-N 357.563 5.582 0 40 FKAB O=C(O)CS/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2s1 6238089 SJXDQMWDPIXDIZ-DHDCSXOGSA-N 361.875 5.266 0 40 FKAB CCCCNc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 6309902 QTDBDFJHXDVZBM-OXJNMPFZSA-N 356.539 5.329 0 40 FKAB Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6502119 MPAXUAWWFVUKFN-UHFFFAOYSA-N 362.273 5.677 0 40 FKAB c1ccc(-c2c(-c3ccccn3)c(-c3ccncc3)nc3ccccc23)cc1 6896784 KCZSTOUZIYTJNU-UHFFFAOYSA-N 359.432 6.026 0 40 FKAB Cc1cccc(NC(=O)[C@H](C)SCc2csc(-c3ccsc3)n2)c1 12861741 ACEDEGLBEFLZHI-ZDUSSCGKSA-N 374.556 5.440 0 40 FKAB CCc1c(-c2nc3ccccc3s2)oc2ccc(Br)cc12 14231609 QWCDFBDNURVCCY-UHFFFAOYSA-N 358.260 6.034 0 40 FKAB CC(C)c1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 14258128 JBACYYLHCBJLSZ-UHFFFAOYSA-N 351.490 5.875 0 40 FKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)cc1 22073001 JXTRFUISFFXYEH-UHFFFAOYSA-N 365.864 5.854 0 40 FKAB C[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 26440154 IWJZDETVJSSMLD-BYXVTNLJSA-N 370.540 5.396 0 40 FKAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1-c1ccccc1 36877793 IGAKCLCZTMGJBD-UHFFFAOYSA-N 372.251 5.678 0 40 FKAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 54363225 RMPMVPUIQKAJAN-UHFFFAOYSA-N 372.745 5.140 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 59351283 YPZWYICJMZEEDJ-DLBZAZTESA-N 359.897 5.218 0 40 FKAB Cc1ccc(-c2nn(CNc3ccc(Cl)cc3Cl)c(=S)o2)cc1 59497986 CBIBKFYHSJEQOT-UHFFFAOYSA-N 366.273 5.557 0 40 FKAB FC(F)(F)Oc1cccc(NC(=S)Nc2cccc3c2CCCC3)c1 71760796 ROKSQVJAWLVGTA-UHFFFAOYSA-N 366.408 5.273 0 40 FKAB Cc1ccc([C@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2)cc1 225306740 BKPOLIUTWWSGCW-HSZRJFAPSA-N 363.888 5.487 0 40 FKAB COc1ccc(C2(NC(=S)Nc3ccc(C)c(Cl)c3)CCCC2)cc1 225852571 FCSIQIMMVNHERJ-UHFFFAOYSA-N 374.937 5.413 0 40 FKAB Cc1cccc(C2(NC(=S)Nc3ccc(F)c(Cl)c3)CCCC2)c1 225856641 OVRNHRNBUJVLRL-UHFFFAOYSA-N 362.901 5.543 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 226756107 CDTTYPMSFCVMON-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 409110224 UNENVPPLSJNDNF-UHFFFAOYSA-N 365.904 6.402 0 40 FKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 951395 BOPOCDNLFMSXSQ-JTQLQIEISA-N 358.652 5.361 0 40 FKAB COc1ccc([C@H](OC(=O)c2ccccc2)c2nccc3ccccc23)cc1 1041031 UQPKQCHBJQETBS-QHCPKHFHSA-N 369.420 5.190 0 40 FKAB CC(C)Oc1ccc2c(c1)N(CC[C@H]1CCCCN1)c1ccccc1S2 1731585 DNRXJFWDKALNBC-QGZVFWFLSA-N 368.546 5.609 0 40 FKAB CCC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1 2358502 WLMNXMYXPXFUTG-OAQYLSRUSA-N 371.521 5.635 0 40 FKAB biogenic CC(C)c1cccc(C(C)C)c1NC(=O)CN1c2ccccc2C[C@@H]1C 2637630 SEMQTYJRSFNMCM-KRWDZBQOSA-N 350.506 5.323 0 40 FKAB COc1ccc(C2=C[C@@H](c3cccs3)n3c(nc4ccccc43)N2)cc1 2914878 BFUWLHQUAQCMEO-IBGZPJMESA-N 359.454 5.162 0 40 FKAB CC(=O)c1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 3182319 RDRHTMLCMLPQJQ-UHFFFAOYSA-N 351.490 5.737 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2ccccc2)cc1 3452239 WXEVPZBBEKEBPH-UHFFFAOYSA-N 356.252 5.842 0 40 FKAB CCCCN(c1ccccc1)c1ncnc2c1cnn2-c1cccc(C)c1 3912236 UKMZJYJGZFBTCX-UHFFFAOYSA-N 357.461 5.062 0 40 FKAB CCc1ccc(-c2nc3sc(-c4ccc(CC)cc4)nc3s2)cc1 4539247 MBCAKGPJGXCGLV-UHFFFAOYSA-N 350.512 6.212 0 40 FKAB CC[C@@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5554337 LPSJKMPASVIXKK-CYBMUJFWSA-N 370.928 5.866 0 40 FKAB CC(C)(C)NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 5567144 KTTSSIRODWRBJM-UHFFFAOYSA-N 350.434 5.273 0 40 FKAB O=C(CCc1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6218303 MJUORTYQOBKKFB-UHFFFAOYSA-N 364.426 5.234 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 6398123 ORLLHAJZHMJLMD-UHFFFAOYSA-N 368.502 5.678 0 40 FKAB CCOc1ccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 6963579 NZCMIECHXOENHB-UHFFFAOYSA-N 362.425 5.192 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c(C)c1 7504081 IGPZMLPRKKTJPT-OAQYLSRUSA-N 355.441 5.555 0 40 FKAB COc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 8169152 GLTDBQCHHAXWJA-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 8253983 KSRNZRINKJXQRX-UHFFFAOYSA-N 365.876 5.345 0 40 FKAB CC(C)c1csc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 8316467 BVBBQZJDSLMBCJ-UHFFFAOYSA-N 369.471 5.389 0 40 FKAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)c1 8856638 MATLLOFWKDJLHC-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB aggregator Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc12 12063147 HEQACTWJLUMUKP-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CCOc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1 13739199 JCVRSMOTELQRRI-UHFFFAOYSA-N 372.493 6.619 0 40 FKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 18241030 OOQOOHGBMXFAAU-SFTDATJTSA-N 371.436 5.312 0 40 FKAB Cc1ccc(CN(c2cccc(C)c2)c2nc(=O)c3ccccc3s2)cc1 19960883 LQBXVIXLKRLPQH-UHFFFAOYSA-N 372.493 5.612 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1Cl 22520843 TUSXNWNBDDVBFR-INIZCTEOSA-N 372.679 5.121 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 27664004 LWFQYYVXUSQPDE-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB Cc1nn(-c2ccccc2)c(NC(=O)Nc2ccccc2)c1-c1ccccc1 28187932 RNVBXWMNXZZBER-UHFFFAOYSA-N 368.440 5.492 0 40 FKAB Clc1cccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)c1 33298187 UAFZNUYYOJXADE-UHFFFAOYSA-N 359.863 5.166 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 44849079 IFJSHEHUAHUYBP-KRWDZBQOSA-N 353.506 5.193 0 40 FKAB CSc1ncc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccccc23)n1 48262381 QQWDYQZJQQKLCY-UHFFFAOYSA-N 369.833 5.004 0 40 FKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccco1 102626003 HDAOXXNADPRZJB-FQEVSTJZSA-N 350.418 5.092 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 217958535 SEEAELYTWPDJAA-NTCAYCPXSA-N 361.828 5.223 0 40 FKAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccccc1Sc1ccccc1 222567590 DVPOYQMJAPPNJR-UHFFFAOYSA-N 361.470 5.066 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Cl 222995852 IMYMCTZCARQFJL-JKSUJKDBSA-N 371.908 5.172 0 40 FKAB CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc2c(c1)CCCC2 223084327 GZCSQDOZPRUIFF-QFIPXVFZSA-N 351.490 5.234 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 223764536 WFYBUZSYORNGCS-RBUKOAKNSA-N 353.506 5.023 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c3c(cccc13)CC2 224469265 UFJXUJYRXQEJHP-OAQYLSRUSA-N 359.469 5.351 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Cl)cc2)cc1 225497336 LFDLXUFZXWBFOZ-SFHVURJKSA-N 362.926 5.422 0 40 FKAB CCCO[C@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225666330 JQFWRUFTDRSEQO-OPAMFIHVSA-N 361.526 5.405 0 40 FKAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(F)(F)F 225830393 JKJKQSAEBLZYHG-UHFFFAOYSA-N 373.415 5.172 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](Cc1ccccc1)c1ccccc1 245241146 XWATVSSARMZAFX-CDIGIKMISA-N 364.529 6.017 0 40 FKAB COc1c(C(=O)Nc2ccc(C)cc2)cc2ccccc2c1Br 408623923 VFSRENOMODCTTL-UHFFFAOYSA-N 370.246 5.172 0 40 FKAB CC(C)(C)c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 408708620 RLPLMHGJOKNSNP-UHFFFAOYSA-N 372.262 5.745 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2-c2ccccc2)cc1 408727879 YNHKKFDMDGNEKT-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1C 409086810 HCWDIETYYSHGNY-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB CC[C@H](Oc1ccccc1C)c1nnc(C2(c3ccccc3)CCCC2)o1 1615586295 MFVSFHVXOKXBPP-IBGZPJMESA-N 362.473 5.768 0 40 FKAB Cc1oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1C(=O)O 639349 LWGTYKKMXXWBHL-UHFFFAOYSA-N 351.185 5.325 0 40 FKAB biogenic Cc1ccc(C)c(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 653733 KJIPPGONHALZNG-UHFFFAOYSA-N 356.825 5.367 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 779375 HSBVCRKBLFSZRY-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB CC(=O)O[C@@H]1C(c2ccccc2)=C(c2ccccc2)O[C@@H]1c1ccccc1 1707628 PRDNSCQNLIWGBQ-DNQXCXABSA-N 356.421 5.258 0 40 FKAB O=C(O)[C@@H]1CCc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12 1722259 OSMADBDRFADZPJ-ISKFKSNPSA-N 352.433 5.772 0 40 FKAB in-vitro COC(=O)[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1731823 IWDPYZNNLCDDAW-GMAHTHKFSA-N 358.437 5.000 0 40 FKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)cc1 3443416 BOCSUQOMFUZAGS-LBPRGKRZSA-N 373.478 5.093 0 40 FKAB Cc1ccc(NCc2nc3ccccc3n2CCOc2ccc(C)cc2)cc1 3894914 QDCAWPGWJNKIRS-UHFFFAOYSA-N 371.484 5.344 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C 4292905 CPCJRYTXAKLNNM-WBIUVFFSSA-N 358.522 5.086 0 40 FKAB biogenic Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1 4350419 HLRMXIMDJYQSOX-UHFFFAOYSA-N 352.503 5.273 0 40 FKAB Cc1cc(C)c(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 4524973 AJTJBLIFAGTZAF-DNLWUEFJSA-N 366.332 5.406 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)c1ccccc1 4698408 VHERZMMLHMDHSA-UHFFFAOYSA-N 373.496 5.463 0 40 FKAB CN1c2ccccc2C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc21 5334773 RVMLTWFGHJYFCR-LJQANCHMSA-N 362.860 5.386 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@H]2c1ccco1 5487303 RMDCBTWLCKAMDK-FQEVSTJZSA-N 353.425 5.565 0 40 FKAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)nc2ccccc12 5942298 ZJRKHBPSGGMNRH-UHFFFAOYSA-N 364.408 5.030 0 40 FKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cs1 5971952 XHFRMZREIQOZSR-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB COc1ccc([C@H]2CC3=Nc4ccccc4N=C(C)C3=C(O)C2)cc1OC 6077353 FZOPDJSDXHQRNW-HNNXBMFYSA-N 362.429 5.272 0 40 FKAB S=C1CC(c2ccc(Sc3ccccc3)cc2)=Nc2ccccc2N1 6116160 NOKVZZHHQACBIN-UHFFFAOYSA-N 360.507 6.102 0 40 FKAB CC(C)c1ccccc1-n1c(S)nnc1-c1ccc(Cl)cc1Cl 6146372 BRSFRUJQCNSUKH-UHFFFAOYSA-N 364.301 5.653 0 40 FKAB Clc1cccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)c1 6283438 VLXYXFRJVSTQMN-IBGZPJMESA-N 355.915 6.759 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 8051143 CANSTVSLQIFVQK-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 12521633 RZWLZLSPRJYUDU-VAWYXSNFSA-N 350.849 5.411 0 40 FKAB c1coc(-c2cc(CN3CCc4sccc4[C@@H]3c3cccs3)no2)c1 12916078 WTEKBWLOYKDVKF-LJQANCHMSA-N 368.483 5.205 0 40 FKAB Cc1ccc(CN(C)C(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 19934449 XVBZUPZOMQARIQ-UHFFFAOYSA-N 368.329 5.194 0 40 FKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2C)c2ccccc2)cc1 20041842 RPJFXTPTYXRAOY-HYBUGGRVSA-N 373.496 5.285 0 40 FKAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 22053542 BNWPSOHVXNNXFL-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)/C(=C/c1ccco1)c1ccccc1 28219561 OGXMRBHAKOVFBQ-LDADJPATSA-N 358.224 5.766 0 40 FKAB C[C@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 29511024 QYSKKWUIQMPDCJ-HNNXBMFYSA-N 364.420 5.020 0 40 FKAB CC1(C)c2ccc(Br)cc2-c2ccc(Br)cc21 32098762 ASUQXIDYMVXFKU-UHFFFAOYSA-N 352.069 5.518 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 38755484 IUCGYBHLOYNMNR-IIBYNOLFSA-N 369.505 5.028 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl 40114379 IAFYINLFLXMSRT-UHFFFAOYSA-N 364.150 5.273 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 59351576 QCJVDWCBQPSVNU-FQEVSTJZSA-N 357.497 5.703 0 40 FKAB CC(C)(C)c1ccc(CSc2nc(O)c3oc4ccccc4c3n2)cc1 67259863 NZZOPELVMVJDKG-UHFFFAOYSA-N 364.470 5.671 0 40 FKAB Oc1nc(/C(Cl)=C\c2cccc(C(F)(F)F)c2)nc2ccccc12 71793147 RUZNUNAZAQNPSP-UKTHLTGXSA-N 350.727 5.091 0 40 FKAB O=C(C1=C(Cl)CCCC1)N1CCC(c2nc3ccccc3s2)CC1 84603258 XOZXVSIDXXEMTB-UHFFFAOYSA-N 360.910 5.069 0 40 FKAB COc1cccc2c1P(C(C)(C)C)[C@H](P(C(C)(C)C)C(C)(C)C)O2 139211691 FEFJPHDISOPBSZ-LIXIDFRTSA-N 368.438 6.356 0 40 FKAB CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223016684 IMSTUXRIYQLCJB-OAQYLSRUSA-N 353.531 5.233 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224472005 JRSAKVATGBAYHV-JOCHJYFZSA-N 374.484 5.085 0 40 FKAB COc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C 225535840 DOCZAKYAJMDLEO-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB Fc1ccccc1CSCCCNC(=S)Nc1cccc(Cl)c1 225611547 QTLGQZIEJNLTSO-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CCCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616508 XUCOPMYYVZOEPC-UHFFFAOYSA-N 363.542 5.508 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(N)c1 226349321 HWNXMHJCSOPPHU-UHFFFAOYSA-N 374.362 5.417 0 40 FKAB COc1ccc(CNc2cccc([C@@H]3CCCN3C3CCCCC3)n2)cc1 257267756 MIPXGYSJLTVNAL-QFIPXVFZSA-N 365.521 5.172 0 40 FKAB CSc1ccccc1C(=O)NCCc1ccc(-c2ccsc2)s1 575414109 XTXGQJJHMUEYOX-UHFFFAOYSA-N 359.541 5.171 0 40 FKAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1cnccc1Oc1ccccc1 667691389 ZMJCBKSZQYCWNE-PKOBYXMFSA-N 358.388 5.028 0 40 FKAB O=C(Nc1ccccc1)c1cccc(COc2ccc3ccccc3c2)c1 671924 WPHMBGXQVJUVDO-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1OC 687659 ZPALLLCDWHTDHS-UHFFFAOYSA-N 364.264 5.133 0 40 FKAB Brc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 828412 TXADWVKFIMBTST-UHFFFAOYSA-N 360.280 5.076 0 40 FKAB COc1ccccc1[C@]1(C)CCc2oc3ccccc3c2-c2oc(C)cc21 854341 XDSBECIFXWWDPR-DEOSSOPVSA-N 358.437 6.262 0 40 FKAB biogenic ClC1=C(Cl)C(Cl)(C(Cl)(Cl)Cl)C(Cl)=C1Cl 1600239 RCESHJJQJXYAIU-UHFFFAOYSA-N 355.690 5.726 0 40 FKAB CC[C@H](c1ccc(C(C)=O)c(O)c1)[C@H](CC)c1ccc(C(C)=O)c(O)c1 1607583 ITYQQEPZCIHICS-QZTJIDSGSA-N 354.446 5.190 0 40 FKAB O=C(c1ccccc1)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc12 2299651 QEFIBKPBSVHOJG-QHCPKHFHSA-N 350.421 5.384 0 40 FKAB COc1ccc2c(-c3ccccc3)c(-c3cccc(Cl)c3)c(=O)oc2c1 2581737 NKFYNVMFARHEMY-UHFFFAOYSA-N 362.812 5.789 0 40 FKAB biogenic C[C@H]1CCCC[C@H]1NC(=O)CCN1c2ccccc2Sc2ccccc21 2654807 BGDUSTBQAHCQIL-DLBZAZTESA-N 366.530 5.374 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3196786 HJKJMEIYKJAOMI-UHFFFAOYSA-N 372.468 5.016 0 40 FKAB Cc1csc2nc(-c3ccc(NC(=O)CCC4CCCCC4)cc3)cn12 5083792 JEDPGABYIGNZRD-UHFFFAOYSA-N 367.518 5.670 0 40 FKAB Cc1ccc([P@](=Nc2ccc(F)cc2)(Oc2ccccc2)C(C)(C)C)o1 5445442 PJLVLBWLBJFDRL-SANMLTNESA-N 371.392 6.678 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1 5737559 YSPUXWRRNANVJG-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB COc1ccc(Nc2nnc(S[C@@H](C)c3ccc(F)cc3)s2)cc1 6058237 LISCBXBMKPJYAG-NSHDSACASA-N 361.467 5.283 0 40 FKAB C[C@H](CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1 6154033 HRQDQRHZVFJZIW-MRXNPFEDSA-N 355.441 5.362 0 40 FKAB Cc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc4c3OCO4)C2)cc1 6487139 CUKKDPARJGAVIG-JOCHJYFZSA-N 373.477 6.082 0 40 FKAB CCc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccs1)=N2 6844092 MFLKECAENVZOPP-UHFFFAOYSA-N 365.889 5.398 0 40 FKAB Clc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1 6862129 PGMQHLKBLZTDGN-UHFFFAOYSA-N 359.860 5.605 0 40 FKAB CCC[C@]12CCC3=C(CCc4cc(OC)ccc43)C1=CC[C@@H]2OC(C)=O 6891190 OVQXJBAKFUQMPB-GOTSBHOMSA-N 352.474 5.237 0 40 FKAB CCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 7261308 UMYDFYRJZLYJJI-UHFFFAOYSA-N 352.305 5.852 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 7294631 IEMTUXSSGCXFQF-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB Cn1/c(=N\C(=O)c2cccc3ccccc23)sc2ccc3ccccc3c21 11847340 ALLCZYQVQCYCCP-WCWDXBQESA-N 368.461 5.287 0 40 FKAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)Nc1cccc(Cl)c1 12322636 ZHWIITSHFMHLAG-QGZVFWFLSA-N 374.893 5.005 0 40 FKAB COc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1Cl 15861508 UKGHGHBRPYBPQM-UHFFFAOYSA-N 371.820 5.081 0 40 FKAB Cc1ccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)cc1C 19927985 SUNHGWKRSYTGBN-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c(Cl)c1 20671913 RJZDFSSNROLWLC-AWEZNQCLSA-N 365.864 5.343 0 40 FKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccccc1 22533220 PHFSTYNVGDGFSX-MBSDFSHPSA-N 361.485 5.511 0 40 FKAB Clc1ccccc1NCc1ccccc1OCc1cccc2ccccc12 33741958 UKUZMITXUUTMRU-UHFFFAOYSA-N 373.883 6.684 0 40 FKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCc1ccc(F)cc1 44086710 IHKKVNBZSOULTI-UHFFFAOYSA-N 374.484 6.279 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412600 LNOFYWQKYBQYGC-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB Fc1cccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 57510795 MYUFYEQFJPDRCN-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)c1C 59176229 STODBHOCOFWIFH-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB CCCOc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 95116625 QQOYUIPEFZKZHR-UHFFFAOYSA-N 373.883 7.011 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 98073070 PVCPQNCZZOZXGH-UHFFFAOYSA-N 363.166 5.965 0 40 FKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccco1 217651618 KISLDABIYFQLSG-UHFFFAOYSA-N 364.401 5.462 0 40 FKAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)CCCC2 223082424 AXFJPSHICSLHPD-HSZRJFAPSA-N 373.496 5.365 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccccc1C 224365748 PCNSWPBFQQEOOV-PKTZIBPZSA-N 365.517 5.299 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCC(C)CC1 225721518 QBACTLBYHZKZDF-TUAABQIMSA-N 361.526 5.405 0 40 FKAB S=C(NCCCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 242849531 FYVADXDOAXNFKJ-UHFFFAOYSA-N 362.498 5.398 0 40 FKAB O=C(Nc1ccc2ccccc2c1)c1ccc(OCc2ccccc2)cc1 408588916 XEOFKWSTERUEBH-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 408619444 CCDYSUPYTCXPRZ-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Br)c1O 409112314 FTSRPTNWLATVEL-UHFFFAOYSA-N 370.674 5.127 0 40 FKAB Clc1ccccc1COc1ccc(CNc2ccccc2)cc1Cl 409121942 ZHJBJEKDFMEXOL-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c3c(cccc13)CC2 1517933 XKQVPHFAIJAYEU-UHFFFAOYSA-N 372.251 5.263 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1Cl 2246695 NQCREHGQZAILNG-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB CCCCCCSc1nc(N)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2296613 OPNMSKJDSCHNJC-SFHVURJKSA-N 365.568 5.187 0 40 FKAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(Cl)cc1 2356909 YOEXQXCMPVFAHL-UHFFFAOYSA-N 365.882 5.029 0 40 FKAB O=C(CCc1nc2ccccc2s1)OCc1ccc(Cl)c(Cl)c1 2617123 WZYUBDYDWJXUIU-UHFFFAOYSA-N 366.269 5.279 0 40 FKAB Cc1nc2ccc3nc(NC(=O)c4ccc(Cl)cc4)sc3c2s1 3899342 YQTVMKPTQKXTDM-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB Cc1cc(N2CC=C(c3ccc(Cl)cc3)CC2)nc(-c2ccccc2)n1 4967292 QAKULUCRJMXGCQ-UHFFFAOYSA-N 361.876 5.399 0 40 FKAB O=C(O/C(=C/c1nc2ccccc2s1)c1ccccc1)c1ccccc1 5257461 GHSHEBYGMWBQOH-XDJHFCHBSA-N 357.434 5.651 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)/C(=C/c1ccco1)c1ccccc1 6495771 DXEUNDCBWAUVTP-NTCAYCPXSA-N 358.224 5.766 0 40 FKAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)Cc1ccccc1Cl 6810636 OXXJPQQHDDJEFW-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB Cc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1 6845799 XZOJTQOYTYJIHJ-UHFFFAOYSA-N 359.800 5.398 0 40 FKAB O=C(N[C@H]1CCSc2ccccc21)C1c2ccccc2Oc2ccccc21 7269140 WYHQOTRSEMNLIN-SFHVURJKSA-N 373.477 5.278 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)cc2)c2ccccc2)cc1 7593565 NAEONKBHUWWKMT-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB CC1(C)[C@H]2CC[C@H](C2)[C@]1(O)CSCc1cccc(Oc2ccccc2)c1 8236706 CULVDJPYQHYKQJ-YCRNBWNJSA-N 368.542 5.899 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1 8560170 QGCPAMMEZNZAGC-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN(C)C1CCCCC1 8717502 VEXAKCMAWVRALF-UHFFFAOYSA-N 356.510 5.048 0 40 FKAB Cc1cc(C)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C)c1 9141662 UMIGXOSSECQFMX-UHFFFAOYSA-N 351.490 5.677 0 40 FKAB CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 12651579 JRPNAROYURKTGG-UHFFFAOYSA-N 358.825 5.291 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 12856287 DFWNETWIOFTBAV-UHFFFAOYSA-N 364.832 5.300 0 40 FKAB Cc1cc(C)cc(OCc2nnc(SCc3ccccc3Cl)o2)c1 20196975 SFMCVGBRJVMNBI-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB COCCc1ccc(Oc2nc(-c3ccsc3)nc3ccccc23)cc1 22801996 KSUKNCBNEWLNMG-UHFFFAOYSA-N 362.454 5.340 0 40 FKAB CC1(C)C[C@@H](NCC[C@@](C)(Cc2ccccc2)Cc2cccs2)CCO1 32069959 TYKICFSRGFZJSE-REWPJTCUSA-N 371.590 5.477 0 40 FKAB O=C(Cc1ccccc1F)N[C@H](c1ccccc1)c1cc2ccccc2o1 36395562 MLUDHNUVUDOFBL-HSZRJFAPSA-N 359.400 5.020 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc4ccccc34)c2c1 46086341 DLLVLVDVGAEAQF-UHFFFAOYSA-N 373.452 6.326 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 54769338 PHOYXLXHCMFRKA-UHFFFAOYSA-N 362.498 5.425 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CSc1nc3ccccc3s1)C2 100068699 WJUFQEMJXSTCQU-HGQUKEQDSA-N 361.532 5.146 0 40 FKAB Cn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 118916116 ARYVICLZGFZHAR-XFHLZSPASA-N 368.565 5.207 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C(F)(F)F)cc1 222957747 WOTIEAHIFJGQCX-INIZCTEOSA-N 351.368 5.118 0 40 FKAB Cc1ccc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1C 225139637 CHXPYFPPUZNKHG-JOCHJYFZSA-N 362.425 5.170 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OC(C)C 225546033 LSYDJUIRYUXIDT-UHFFFAOYSA-N 369.480 5.762 0 40 FKAB Fc1ccc(NC(=S)NCCCSCc2ccccc2)cc1Cl 225597667 PKZLQPQHHCBRIX-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CCc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225677573 QEFFLYYMQKNOCP-SFHVURJKSA-N 354.519 5.146 0 40 FKAB COc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1Cl 225853725 FDJHIRMLGSCCLE-UHFFFAOYSA-N 366.939 5.166 0 40 FKAB CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1 250238282 JRVLFALUMBSZRJ-BIAGXBKMSA-N 368.439 6.032 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C\c3ccccc3)C[C@H]12 253498561 LZOCUXGUHLCYSF-XOIKSRDQSA-N 364.573 6.474 0 40 FKAB biogenic Cc1cccc(CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 261508959 YQDMNKGLSHMBMQ-UHFFFAOYSA-N 363.498 5.490 0 40 FKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccs1 408527181 BETXMCOYSVYVMS-UHFFFAOYSA-N 358.422 5.091 0 40 FKAB Cc1sc2nc(-c3ccc(OCc4ccccc4)cc3)nc(O)c2c1C 408735924 ZJMRMLMETHDNAO-UHFFFAOYSA-N 362.454 5.260 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc3ncnn23)cc1 409073957 UZOXWXWPKLTMOQ-UHFFFAOYSA-N 355.228 5.074 0 40 FKAB CCCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(F)cc1F 575628259 RBQDJHNTELWYOO-UHFFFAOYSA-N 364.848 5.791 0 40 FKAB O=C(C[C@@H](c1ccccc1)[C@H]1CCCC1=O)c1ccc(Br)cc1 639167 KMLJRYCKWBCLJW-MSOLQXFVSA-N 371.274 5.175 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 716797 NKJQDYHZZJASBM-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(Cl)cc1 949019 SRJXIHAACJFSNL-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB FC(F)(F)c1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 1098204 VAKYJUHHMHLOSR-LJQANCHMSA-N 373.399 6.656 0 40 FKAB Cc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)c(C)c1 1342914 YVSUZPOCYIFRCS-UHFFFAOYSA-N 365.502 5.101 0 40 FKAB CC(C)(C)CC(C)(C)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 1572577 ASIWDMMGSRKDGH-UHFFFAOYSA-N 364.451 6.998 0 40 FKAB Cc1cc(C)cc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 2226644 ZFBQJFCPNWZAEX-UHFFFAOYSA-N 356.454 5.314 0 40 FKAB O=C(Sc1ccccc1)c1c(Cl)nsc1-c1ccccc1Cl 2555870 KVSKUAPMFVTZTA-UHFFFAOYSA-N 366.294 6.049 0 40 FKAB c1ccc(C(c2ccccc2)(c2ccccc2)n2ccc3ccccc32)cc1 4016040 JMOVWTJFTIXXOH-UHFFFAOYSA-N 359.472 6.482 0 40 FKAB CCC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccccc1 4073449 YAUWJCHOOUMONV-XMMPIXPASA-N 373.581 5.827 0 40 FKAB biogenic Cc1sc(NC(=O)c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 4350443 MGLADJBKYIBMQN-UHFFFAOYSA-N 352.503 5.172 0 40 FKAB CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)OC(C)=O 4654664 CMOYPQWMTBSLJK-ACQXMXPUSA-N 354.531 5.739 0 40 FKAB in-vitro COc1ccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)n2C)cc1 4678446 FFMLHFVVRPOPIU-UHFFFAOYSA-N 362.260 5.015 0 40 FKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4854075 QMZBKBSVBVMWLO-LADGPHEKSA-N 370.452 5.246 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3F)N=C(O)CCN21 5369594 PWFMBCUUJWSGQF-RSNBEDGSSA-N 350.437 5.002 0 40 FKAB O=C(CCN1c2ccccc2Sc2ccccc21)NCC1CCCCC1 5689434 LIPMFYUFUWOFDZ-UHFFFAOYSA-N 366.530 5.376 0 40 FKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2ccccc2o1 6169122 BPZQPGAVTGLEQG-UHFFFAOYSA-N 353.422 5.143 0 40 FKAB Cc1cc(C)cc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c1 6207884 BHFFFRXYUGMINB-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 6479693 NRMABLHQGHBKJM-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccccc1F 8534256 RFAABTKLCOPYLY-KRWDZBQOSA-N 365.448 5.264 0 40 FKAB Cc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 8748312 JITQCISRCUMIFE-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB O=C(NCCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 9216622 VNVNJKZLUQRTLS-UHFFFAOYSA-N 374.465 5.043 0 40 FKAB CCc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 10434149 KKNDEZQEAIMINH-UHFFFAOYSA-N 355.787 5.493 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1SC(F)F 12812639 DTJCOXOCUVIBAU-UHFFFAOYSA-N 362.228 5.489 0 40 FKAB CCCOc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 14258386 RKSIWZIDUUVHGX-UHFFFAOYSA-N 357.759 5.400 0 40 FKAB COc1ccc2c(c1)[C@H]([C@H](C(C)=O)C(=O)c1ccccc1)c1ccccc1O2 19880322 NJMXHEIVFQAPSR-XZOQPEGZSA-N 372.420 5.021 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 20489633 XSBNOVDLNRWUHF-OAQYLSRUSA-N 355.547 5.440 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(F)(F)F 30754753 BGVJBLOGTDCNKX-LJQANCHMSA-N 373.374 5.655 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 30868665 RPTGYFGRIOXWEZ-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB CN(Cc1ccccc1NC(=O)c1ccc(Cl)cc1)C1CCCCC1 39969205 LMDATFXKKRNBAC-UHFFFAOYSA-N 356.897 5.357 0 40 FKAB CC(C)C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 44885812 CNEJSKKAMLFVSC-IBGZPJMESA-N 361.938 5.726 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 49006138 ANVMXKZJIHGTJI-UHFFFAOYSA-N 367.861 5.413 0 40 FKAB CCCCCn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 67259016 FSDGQNUNXIEXGH-UHFFFAOYSA-N 356.466 5.018 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1NC1CCCCC1 72214054 NFZFCEVOQOUUJI-OAQYLSRUSA-N 363.505 5.194 0 40 FKAB Cc1cc2cc(NC(=O)COc3ccccc3-c3ccccc3)ccc2[nH]1 84129208 ILJKCBDZXVEBLW-UHFFFAOYSA-N 356.425 5.161 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl 106977929 MHKXLEGKBVFCGN-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CCC(=O)O1 118915985 KYUZKRJIOGSDGT-XEUUSFIASA-N 372.549 5.022 0 40 FKAB CC(C)c1ccccc1OCCNC(=O)C(c1ccccc1)c1ccccc1 223743157 AMNSCAQSFFQOAC-UHFFFAOYSA-N 373.496 5.137 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(C)cc3C)CCCC2)c1 225841918 PEDDMFITDJCITM-UHFFFAOYSA-N 366.574 5.844 0 40 FKAB COc1ccc2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1 408624517 XOEHCTKACOXGSJ-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB Cc1cccc(NC(=O)c2cc3c(C(F)(F)F)cc(C)nc3s2)c1 2217856 LQBPDKKWCRAYBE-UHFFFAOYSA-N 350.365 5.184 0 40 FKAB CCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2224993 NUSJQIZMJUWPTK-UHFFFAOYSA-N 371.575 5.819 0 40 FKAB Cc1ccc(OCc2nc3ccccc3n2Cc2ccc(C(C)C)cc2)cc1 2668916 LVGNLKIPKADJSH-UHFFFAOYSA-N 370.496 6.095 0 40 FKAB Cc1ccc(-c2csc3ncnc(Oc4cc(C)cc(C(C)C)c4)c23)cc1 3371482 RFTRAKNZWBOXFI-UHFFFAOYSA-N 374.509 6.891 0 40 FKAB COc1ccc(NC(=O)c2cc3cc(Oc4cccc(C)c4)ccc3[nH]2)cc1 4702638 BWYGCXHQGROXHF-UHFFFAOYSA-N 372.424 5.530 0 40 FKAB Cn1cc(C(C)(c2ccccc2)c2cn(C)c3ccccc23)c2ccccc21 4982865 FETLHNDGLFKRSV-UHFFFAOYSA-N 364.492 6.024 0 40 FKAB Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)c(Cl)c1 6243053 MMAINOZVRWMYSK-UHFFFAOYSA-N 373.308 5.841 0 40 FKAB O=C(Nc1ccc2ccccc2n1)c1cccnc1Sc1ccccc1 6589424 WCCWXSBFWFBZHT-UHFFFAOYSA-N 357.438 5.033 0 40 FKAB Fc1cccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 8748607 SCEXHQMTHURYNV-UHFFFAOYSA-N 357.454 5.475 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 11915208 KCQWVDXSPLFRFJ-UHFFFAOYSA-N 351.471 5.302 0 40 FKAB CC(C)[C@H]1CC(C)(C)c2ccc(OCc3ccc4nsnc4c3)cc21 12401278 KGOMQOTWCWAIIW-QGZVFWFLSA-N 352.503 5.691 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 15580430 RCSDRCNXKKTSCT-UHFFFAOYSA-N 369.852 5.085 0 40 FKAB C[C@@]12CC3CC(NC(=O)Nc4ccc(Cl)c(Cl)c4)(C1)C[C@](C)(C3)C2 16605653 IGSATVROEVOBFD-CMXJYWLISA-N 367.320 5.864 0 40 FKAB O=C(CCC1CCCCC1)N1CCCC[C@@H]1c1nc2ccccc2s1 24383968 PSPVCYNSZCGYSJ-GOSISDBHSA-N 356.535 5.710 0 40 FKAB CCOc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 39892994 RYJQDBNCEQPHIZ-UHFFFAOYSA-N 357.837 5.283 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(SC)c1 44949883 BBCRGHPYLVQFRZ-LJQANCHMSA-N 351.471 5.358 0 40 FKAB c1cncc(COc2ccccc2CNCc2ccc3ccccc3c2)c1 95377638 SEJIYVWGRHSHHR-UHFFFAOYSA-N 354.453 5.104 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC)c2ccc(C)cc2C)cc1 222900193 RZGRSUJTUNEHME-FGZHOGPDSA-N 353.506 5.291 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 223442439 MGHOKLAOWJZLNQ-MSOLQXFVSA-N 373.924 5.527 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COCC(C)C 224448985 PWEMANGROXNKGR-UHFFFAOYSA-N 361.869 5.082 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)c(C)c1 225301498 UELVBGAMPRLTKX-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB COc1cc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(C)C 225655936 ZRXXUIGZEDJUAW-UHFFFAOYSA-N 351.368 5.398 0 40 FKAB CCCOc1c(C)cc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C 225666173 ACWMXLJRVMOECD-OPAMFIHVSA-N 361.526 5.406 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225687857 ZWYZXDIBPJUJFU-QFIPXVFZSA-N 355.478 5.045 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c2ccccc12 225827982 WVVRJBPCEIHQMF-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2CC)cc1OCC 408568390 SZIDAVHJEVXSDX-WYMLVPIESA-N 353.462 5.088 0 40 FKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C 408585609 GKAKAHYPLUQIKQ-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB CSc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409058248 JVYLZYKJRPOCFP-GDNBJRDFSA-N 361.875 5.303 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 409116238 IMXTYTRXTWBGPV-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1 409191438 HLNXZSUXGMFAQG-UHFFFAOYSA-N 361.466 5.941 0 40 FKAB CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 598626 ZPXPEKQMLOAPLT-UHFFFAOYSA-N 361.445 5.667 0 40 FKAB in-vitro CCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@@H](C(C)(C)C)C2 644000 UBVONOGSGNJRLW-GFCCVEGCSA-N 365.539 5.060 0 40 FKAB C[C@]1(C(=O)Nc2ccc(Cl)cc2)CC2c3ccccc3C1c1ccccc12 825785 BWNNOPSFWAYRMW-IWAAJCSBSA-N 373.883 5.966 0 40 FKAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 997410 KCJPYJOAHNXTGJ-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1cccc2ccccc12 1080139 AMRQNDZIKYUSAL-UHFFFAOYSA-N 369.468 5.522 0 40 FKAB COc1ccccc1[C@H]1CC(c2cccs2)=Nc2ccccc2S1 1399373 XMNUWSAFPSHBQQ-HXUWFJFHSA-N 351.496 6.115 0 40 FKAB aggregator Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CC(C)(C)OC3)cc1 2335084 JRXGQPDRQYXBSA-UHFFFAOYSA-N 366.486 5.081 0 40 FKAB O=C(CC1CCCCC1)Nc1ccc(-c2nc3cccnc3s2)cc1 2961303 OQNSIINEZYFIQP-UHFFFAOYSA-N 351.475 5.267 0 40 FKAB CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 3263810 GWZNAOLZDWTEBX-MRXNPFEDSA-N 356.680 6.025 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(C)s2)cc1 3415311 HEWSGGBFDRZPQR-UHFFFAOYSA-N 353.443 5.500 0 40 FKAB CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1 3885048 HDOAWHDGWAGPFR-JQIJEIRASA-N 357.453 5.717 0 40 FKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 4472003 JCASOXSAGYVHRH-YVLHZVERSA-N 374.267 5.635 0 40 FKAB COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1 4969931 TXKUWUIJHHADSJ-UHFFFAOYSA-N 351.409 5.249 0 40 FKAB CCCC[C@@](O)(c1ccccc1)[C@@H]1CN(C(C)(C)C)[C@@H]1c1ccccc1 5045989 JGHGHADLIVEPGD-CQOQZXRMSA-N 351.534 5.536 0 40 FKAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 5614663 QGCQTVMLFPTGFT-UHFFFAOYSA-N 358.441 5.345 0 40 FKAB C[C@H]1[C@H](c2ccccc2)OCN1CC=C(c1ccsc1)c1ccsc1 5662754 JAFWSMULEQCSON-HRAATJIYSA-N 367.539 5.661 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 6348829 AMMVKYMWBYSKNN-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1Oc1ccccc1 6582086 ZJCLDZSWWHDMRS-UHFFFAOYSA-N 358.441 5.331 0 40 FKAB O=C(CNc1cccc(Cl)c1)Nc1ccc(Cl)cc1C(F)(F)F 6602131 WLQOOULMKKMENP-UHFFFAOYSA-N 363.166 5.063 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810604 KCYIRZATGIAHAP-UHFFFAOYSA-N 369.848 5.174 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 7079981 DUEVHJKAQOQONP-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccccc1F 7537856 RPVHVXXONLIYGZ-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB Fc1cccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1 13265902 SCARLDWWXVIHPM-UHFFFAOYSA-N 368.462 5.080 0 40 FKAB CCCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628423 LWRSVMVIWHDXFE-UHFFFAOYSA-N 366.505 5.755 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1OC 15408509 XJWHCDDZBINKJH-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Cc1ccc(C)c([C@@H](C)NCC(=O)N(Cc2ccco2)C2=CCCCC2)c1 16047191 SWADNKLAHFBLDN-LJQANCHMSA-N 366.505 5.034 0 40 FKAB C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)c1nc(C(C)(C)C)no1 26994282 NGIUQWHTVXUSBJ-CYBMUJFWSA-N 371.868 5.986 0 40 FKAB Cc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 32623051 GWWLXWFRNDOMIY-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB Cc1nc(/C=C/C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cs1 32882458 FWQSWINLLLEIAQ-VDZCTEQFSA-N 374.465 5.117 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(C)c1 36067595 GWEMPGCEXUVECL-AZUAARDMSA-N 364.533 5.026 0 40 FKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 46844010 BABGCICVRPIHGI-KRWDZBQOSA-N 372.490 5.072 0 40 FKAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1occc1-c1ccccc1 84562915 HSOWVPAOQJBEJY-UHFFFAOYSA-N 364.401 5.462 0 40 FKAB COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 89904537 GABUWDRYKMYKBX-ZMZPIMSZSA-N 365.304 5.312 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N/c1ccccc1C)C(C)(C)N2 100710814 URQWWKDQFJACJR-XUTLUUPISA-N 352.528 5.986 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CC(=O)N5CCCCC5)(C4)C2)C3)cc1 100864062 VZVYDAPKBVAXFQ-CSKPTYFESA-N 351.534 5.236 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1C 106980091 VXTPNGUFLZWOSE-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Cl)c(Br)c1 199830261 DNZZGFPQMBNXQU-ZDUSSCGKSA-N 360.679 5.175 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1C 219031906 GMJVAQBVTCHZHG-JPYJTQIMSA-N 361.485 5.491 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219325091 TWNNOSBDYUADHR-UXHICEINSA-N 359.897 5.382 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223142694 VDMCMFRQDAPUBY-LJQANCHMSA-N 358.938 5.657 0 40 FKAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1cccc2ccccc12 225091835 XJOCKQBCUHFFTN-SFHVURJKSA-N 361.224 5.221 0 40 FKAB Cc1ccc(C)c(NCc2ccc(-c3ccc(Br)cc3)o2)c1 226239908 ZDBIIFWIUPSLFR-UHFFFAOYSA-N 356.263 5.938 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408617695 DJDGCMUYQRQWAP-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc4ccccc34)nc1-2 409053249 NOSCDRVVCZATQT-UHFFFAOYSA-N 372.449 5.128 0 40 FKAB CCCCN1C(=O)S/C(=C\c2c(OCC)ccc3ccccc23)C1=O 409054563 BWKSGRSWCLHWLU-AQTBWJFISA-N 355.459 5.075 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1 409180779 VRIUZHNRLFTILP-UHFFFAOYSA-N 362.425 5.110 0 40 FKAB O=C(Nc1ccccc1F)c1cc(-c2ccc(F)cc2)nc2ccccc12 860945 NJUBQILFYFNBKJ-UHFFFAOYSA-N 360.363 5.432 0 40 FKAB Cc1sc2nc(C3CC3)nc(SCC(=O)c3ccccc3)c2c1C 1377385 PKDDQPGNMDAQJC-UHFFFAOYSA-N 354.500 5.161 0 40 FKAB CCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 1758853 RSEPBGGWRJCQGY-VZWAGXQNSA-N 356.506 5.350 0 40 FKAB in-vitro CC(=O)c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 1864636 IBRDIFXYBNLRKQ-UHFFFAOYSA-N 367.341 5.567 0 40 FKAB c1ccc(C2=Nc3c(oc4ccccc34)[C@@H](Sc3ccccn3)N2)cc1 2189928 ZROFNZXMJLXOCS-OAQYLSRUSA-N 357.438 5.300 0 40 FKAB O=c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)oc2ccccc12 2422709 IUWXGNDKINNBON-UHFFFAOYSA-N 357.192 6.027 0 40 FKAB Cc1cc(C)c(C(=O)CSc2ncnc3sc(C)c(C)c23)c(C)c1 3328746 LZSMROAQPCACDG-UHFFFAOYSA-N 356.516 5.208 0 40 FKAB CCCCCCOc1ccc(-c2ccc(OCCCCCC)cc2)cc1 3894607 NPALUNJGWGOZQN-UHFFFAOYSA-N 354.534 7.272 0 40 FKAB biogenic,in-vitro O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)s1 4134761 CCFRPLWRBAJKAC-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB COc1ccc(C(=O)c2cnc3cc(Cl)ccc3c2-c2ccccc2)cc1 4453249 JVJWJYFAHVEWCD-UHFFFAOYSA-N 373.839 5.795 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1cccc(NC(=O)[C@H](CC)CCCC)n1 4622150 YZNFGYXZMITNBD-IAGOWNOFSA-N 361.530 5.391 0 40 FKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4671767 FDFYIDPGADEJDC-HTAPYJJXSA-N 364.489 5.096 0 40 FKAB CCc1cccc(CC)c1NC(=O)CSc1cccc(C(F)(F)F)c1 6404846 YJHHQDYXSQQDED-UHFFFAOYSA-N 367.436 5.561 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 6940280 XTEYYXVOPLUGQG-SFHVURJKSA-N 366.505 5.208 0 40 FKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 7092753 VNKMLIOFIZDWRT-VEVIJQCQSA-N 359.347 5.230 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccccc2)cc1 7986327 NDPGIDGCOFPXIW-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 8714174 XHGGPVSUGOKHCW-OVCLIPMQSA-N 361.828 5.223 0 40 FKAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 9426673 PXHPIIUPDAZXDQ-UHFFFAOYSA-N 358.869 5.275 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2ccccc2F)[C@@H]1c1ccccc1 9698431 NECDTDUEVBRQFS-NRFANRHFSA-N 371.415 5.176 0 40 FKAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3C(C)C)cs2)cc1 12775160 OFAZXIUTINTGMU-UHFFFAOYSA-N 366.486 5.406 0 40 FKAB CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 13408522 ORZBNFZTRWEXII-ZAZLRJHESA-N 360.538 5.310 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 13632183 WXPPJYYNEZCLOR-UHFFFAOYSA-N 358.441 5.315 0 40 FKAB O[C@@H](CNCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 19872531 ZNGSTGKJRPQKLQ-SFHVURJKSA-N 362.256 5.077 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 20493295 VDHDMZJKWZHZEP-OAHLLOKOSA-N 359.897 5.063 0 40 FKAB C=Cc1ccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 23126591 GLSFXQMXDNMJGN-UHFFFAOYSA-N 361.445 5.471 0 40 FKAB CCc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C)nn23)cc1 27585812 KGJOSBFTKUTNFL-UHFFFAOYSA-N 356.473 5.628 0 40 FKAB CCCC(=O)Nc1ccc(CNCc2cc(-c3cccs3)cs2)cc1 40120009 QRXAVCQVIHIDBJ-UHFFFAOYSA-N 370.543 5.505 0 40 FKAB COc1ccc(-c2cnc(SC(C)C)n2-c2cccc(Cl)c2)cc1 44087244 SCHXDXNGPKJKET-UHFFFAOYSA-N 358.894 5.702 0 40 FKAB O=C(Nc1ccccc1F)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 58245578 JOLNDSCESPSCDW-QGZVFWFLSA-N 366.358 5.604 0 40 FKAB COc1ccc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1F 95962093 XHOXREILDQZVDX-MGUXCZDKSA-N 361.265 5.151 0 40 FKAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc3ccccc23)c(C)c1 96137155 IBZWYLAIUQXWNC-VAWYXSNFSA-N 351.471 5.178 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(Cl)cc(Cl)c2)c1 199710639 OWGLXNOMRQUFFS-UHFFFAOYSA-N 353.249 5.770 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnn(-c2ccccc2)c1 224053291 WFXPMGPDWDOARH-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 224893157 RTPCIRZRUZUICV-UHFFFAOYSA-N 368.436 5.823 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966724 HHWCRXINGXZXTQ-JOCHJYFZSA-N 366.505 5.090 0 40 FKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 225287588 UYEYATKWKUHWBV-UHFFFAOYSA-N 357.331 5.072 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 225508373 VDKMNEWKEHOIQF-QHCPKHFHSA-N 374.553 6.194 0 40 FKAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1[C@@H](C)CCC[C@@H]1C 226330331 MTMVFYNXDLGWKK-GJZGRUSLSA-N 371.912 5.250 0 40 FKAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408833697 SEEBEILXDMFUMM-UHFFFAOYSA-N 350.245 5.212 0 40 FKAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409188687 JXJMEYYRZMKINM-SFQUDFHCSA-N 371.889 5.878 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)on2)cc1 1775975859 HBBVBUHHECWQLH-DLBZAZTESA-N 352.821 5.046 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1 683086 JLKMDCQYAGKKKN-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB COC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1 844718 HTEINQVEMPNTAK-UHFFFAOYSA-N 369.424 5.135 0 40 FKAB Brc1sccc1/C=C/c1ccsc1Br 984428 MITWBCBXKQEHIL-OWOJBTEDSA-N 350.100 5.505 0 40 FKAB CCOc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 1045632 LPLHYYCFRCXUOL-UHFFFAOYSA-N 362.498 5.161 0 40 FKAB COc1cc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)ccc1O 1681526 JFGKMBQRWSRGFP-UHFFFAOYSA-N 374.436 5.030 0 40 FKAB Cc1cc(C)c(-c2oc(-c3c(C)cc(C)cc3C)c3ccccc23)c(C)c1 1689998 NDCFOZQLVARBFP-UHFFFAOYSA-N 354.493 7.617 0 40 FKAB CC(C)c1ccc(OC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 1893096 RADXEULTMGUSOX-BJMVGYQFSA-N 363.226 5.330 0 40 FKAB O=c1c(Oc2ncnc3ccccc23)c(-c2ccccc2)oc2ccccc12 1987873 REKFAHVQIOTVDB-UHFFFAOYSA-N 366.376 5.196 0 40 FKAB Cc1ccc(C)c(OCc2ccc(-c3n[nH]c(=S)n3CC(C)C)o2)c1 2793202 GZAAZBXOPBGHHY-UHFFFAOYSA-N 357.479 5.053 0 40 FKAB C[C@H](CCc1ccccc1)Nc1ncnc2sc(-c3ccccc3)cc12 3279778 KCSMCCIWEOEINS-MRXNPFEDSA-N 359.498 5.792 0 40 FKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccccc1Cl 3333582 ANSLITSVXVIFMZ-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB C[C@H]1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 4076441 FMUWOACGAQYCFW-VIFPVBQESA-N 362.907 5.388 0 40 FKAB Cc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1 4318339 FRSWBIPUVISLPB-QNWVGRARSA-N 367.920 5.750 0 40 FKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1Cl 4997204 CBFSZKDGJMKGMZ-NSHDSACASA-N 355.850 5.725 0 40 FKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc1 5164681 PPDWCCIHNGRKHL-UHFFFAOYSA-N 362.864 5.805 0 40 FKAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1 5684390 IDGPCPVWCMAORM-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB O=C1CCCC[C@H]1Sc1nnc(-c2sc3ccccc3c2Cl)o1 6091489 ONUCGXQQHDGFHW-GFCCVEGCSA-N 364.879 5.209 0 40 FKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 6153021 LLKRHZOTTBYUPZ-UHFFFAOYSA-N 362.376 5.010 0 40 FKAB Fc1ccccc1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 6344728 ZGXJLGUXTCNMSW-UHFFFAOYSA-N 361.441 6.440 0 40 FKAB CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1cccs1 8254761 KJJHTBILPUPCCU-KRWDZBQOSA-N 367.514 5.577 0 40 FKAB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111783 YJTJYTLCMLAZGV-KRWDZBQOSA-N 355.547 5.652 0 40 FKAB CC1(C)Cc2cc(CNc3ccc(Br)c(Cl)c3)ccc2O1 10299682 JHZMAWMIPPZUMV-UHFFFAOYSA-N 366.686 5.428 0 40 FKAB CC(C)c1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1cccs1 12982241 YNZGVCPOZDUMGZ-QFIPXVFZSA-N 365.498 5.156 0 40 FKAB CCCc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1 13331876 BOOBWJSKXYQACT-UHFFFAOYSA-N 367.452 5.502 0 40 FKAB COC(=O)/C=C(\C)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 16975043 DDRUKWVJKIJZJW-ONEGZZNKSA-N 364.439 5.409 0 40 FKAB C[C@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1Oc1ccccc1 17074355 CYJSXCZHUMSMTN-AWEZNQCLSA-N 360.910 5.704 0 40 FKAB CC1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)CC1 27985964 DMCMHKNOQXHBIR-UHFFFAOYSA-N 370.456 5.188 0 40 FKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)c1ccccc1 29504914 ZRHWOULVRGYCLC-AWEZNQCLSA-N 366.486 5.075 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30850824 JFYFPUWIIZFVSL-GHTZIAJQSA-N 367.533 5.636 0 40 FKAB CC[C@@H](C)c1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1 31903347 SFVYAAMRTVAEHZ-GOSISDBHSA-N 370.496 6.274 0 40 FKAB Cc1ccc(-c2ncc(Sc3cnc(-c4ccccc4)s3)o2)cc1 35681809 NNURYUXDBUKSAB-UHFFFAOYSA-N 350.468 5.925 0 40 FKAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2cc3ccccc3o2)cc1 40158126 JIRWGJRFHATLKN-OAQYLSRUSA-N 363.457 5.128 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C 44856714 LIBHIQSOLWLAOM-HSZRJFAPSA-N 364.533 5.170 0 40 FKAB O=Cc1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327593 QUYYTUJZGDARBO-UHFFFAOYSA-N 353.521 5.194 0 40 FKAB C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)C[C@H](O)C2(C)C 65742810 ZXOXDVMWISJVGJ-NRFANRHFSA-N 364.485 5.075 0 40 FKAB in-vitro O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1SC1CCCCC1 72217309 HHEQVPVULBFKRD-FQEVSTJZSA-N 366.530 5.484 0 40 FKAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)oc1ccccc12 95454970 SQXZHWUFDWISSR-GOSISDBHSA-N 374.444 5.295 0 40 FKAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccccc3)C[C@@H]12 118916257 LZOCUXGUHLCYSF-PCZKPBTISA-N 364.573 6.474 0 40 FKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2)n1 148181667 REDVAHQWIKHFEP-UHFFFAOYSA-N 361.489 5.232 0 40 FKAB Cc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc(C)c1Cl 218927581 HZHAXLCZSKLXLA-UHFFFAOYSA-N 373.924 5.208 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 219525814 AEYREVLMWVHXKS-MSOLQXFVSA-N 353.506 5.246 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219613387 UDQROLXAXQJOBO-PMACEKPBSA-N 359.897 5.382 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223495160 UQIDYCXRYJKGGH-IBGZPJMESA-N 353.506 5.300 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCC 224725247 WGAMYOFYEIAOMF-UHFFFAOYSA-N 355.478 5.271 0 40 FKAB O[C@@H](c1ccc(Br)cc1)c1ccc2c(c1)oc1ccccc12 226296723 QTGFIORPDJULRH-IBGZPJMESA-N 353.215 5.430 0 40 FKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(F)cc1 409182825 OIUGKPUMBVXFGE-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1C 834913 AZBPLVZISOOTRK-UHFFFAOYSA-N 354.247 5.471 0 40 FKAB Cc1ccc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)c(C)cc2c1 932925 CZPPKMPYUOOVGS-UHFFFAOYSA-N 374.868 5.375 0 40 FKAB CCCCCCC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 2054558 CAUUPJSLTDMTKD-RUZDIDTESA-N 363.545 6.478 0 40 FKAB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 2388826 VRIAJBLDZFHBRP-NRFANRHFSA-N 370.876 6.586 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2s1 3229234 QFCGQOGNNZEDOZ-LLVKDONJSA-N 374.918 5.020 0 40 FKAB CCCCOc1ccc(-c2nnc(-c3ccco3)n2-c2ccccc2)cc1 4124399 VDJSWNAPGSKXKN-UHFFFAOYSA-N 359.429 5.373 0 40 FKAB O=C(COc1ccc(Cl)cc1)NC1CCCCCCCCCCC1 4401906 LEFYMDTXYHQLFJ-UHFFFAOYSA-N 351.918 5.508 0 40 FKAB COc1ccc(CNCC[C@@]2(c3ccccc3)CCSC(C)(C)C2)cc1 5231482 WPEDUDCBRDFYRY-HSZRJFAPSA-N 369.574 5.419 0 40 FKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 5681254 QUUYESKGEOQVTG-UJEHXYQJSA-N 372.424 5.309 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 5878470 MXXYDKSSTRFQIF-UHFFFAOYSA-N 374.267 6.377 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(Oc2ccc3ccccc3c2)cc1 8471493 YGTIBWHJJIXMHS-UHFFFAOYSA-N 367.448 6.203 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1 10338642 YZLUCCWOFPAYGI-UHFFFAOYSA-N 350.289 5.862 0 40 FKAB COc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 12177343 QLOXEYDIFYVMAC-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB O=C(NCCc1ccc(F)cc1)c1ccc(-c2ccc(Cl)cc2)s1 12805676 GJFYTSHPKXQLRL-UHFFFAOYSA-N 359.853 5.180 0 40 FKAB CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)s1 12948154 VEZPOCXJUYSEQV-VIFPVBQESA-N 356.274 5.091 0 40 FKAB COc1ccc([C@H](NC(=O)/C=C(\C)c2ccccc2)c2ccccc2)cc1 17193734 WMOMDRTXZCXXML-IKPXGLPCSA-N 357.453 5.004 0 40 FKAB CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(C)ccc12 18936021 HNYKNOLGUJLSEY-UHFFFAOYSA-N 361.894 5.147 0 40 FKAB CC(C)c1ccccc1OCCNc1cccc(OCc2ccccc2)c1 19738462 MYGXSUACDCIRLJ-UHFFFAOYSA-N 361.485 5.880 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312243 VKVSHZWUQXXSOM-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB CCC(CC)C(=O)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 27913838 MUQWTOBPGNILMN-UHFFFAOYSA-N 374.506 6.052 0 40 FKAB Cc1oc(-c2cccs2)nc1CN(C)[C@@H](C)c1cc2ccccc2o1 30005730 BVLUCCZKNJWURU-ZDUSSCGKSA-N 352.459 5.651 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO 33954481 YHTCXUSSQJMLQD-GIXZANJISA-N 358.610 7.851 0 40 FKAB S=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1 35313909 UFNCJTGAMPZWJD-UHFFFAOYSA-N 371.893 5.058 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 38755470 DKINTWLOWQCZCB-CQSZACIVSA-N 351.368 5.037 0 40 FKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 40867484 NGPAPTLNDKPZOZ-RGEXLXHISA-N 367.470 5.102 0 40 FKAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)c1cccc(Cl)c1 48255349 HMIFVRMCZCLQIS-CQSZACIVSA-N 373.884 5.126 0 40 FKAB COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1N 57340677 SMNGZNNVGGXRFH-UHFFFAOYSA-N 367.257 5.051 0 40 FKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)n1 61108676 RNFZIYUZWQXXMB-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 78458078 RLVZGAWXKJFESH-DLBZAZTESA-N 353.506 5.191 0 40 FKAB Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nc1-c1ccc(F)cc1 95347416 FDLUOZRWQKTZII-HZPDHXFCSA-N 370.424 5.139 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc(C)c5)(C4)C2)C3)cc1 100846456 QDAJPLFGAHNWPN-JSZXIJHASA-N 359.513 5.780 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)c2c1nn(C(=O)[C@@H]1C[C@H]3C=C[C@H]1C3)c2-c1ccccc1 103637871 GQINAOLOPRBWQT-JZTRKIHISA-N 374.528 6.039 0 40 FKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(C)C 223340162 YYMPJBUEQCXLNT-UHFFFAOYSA-N 361.507 5.051 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C 223453482 OLPVUQRQKVUXRR-NRFANRHFSA-N 371.524 5.888 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)CCc3cccc4ccccc34)s2)cc1 223479143 PZKXVTSVLMRICJ-UHFFFAOYSA-N 373.481 5.238 0 40 FKAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1C 225363039 RYDRJEJZUVVGJA-SFHVURJKSA-N 350.289 5.502 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525414 DZAFUJLMFATMMI-UHFFFAOYSA-N 371.908 5.825 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225541837 ZIAIPGATCXFMDM-LJQANCHMSA-N 365.517 6.013 0 40 FKAB Cc1cccc([C@@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2)c1 225600125 VOTWEKOGMVSWCD-DEOSSOPVSA-N 369.508 5.713 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 225711913 HNZRITQBTAKCHR-HXUWFJFHSA-N 356.535 5.528 0 40 FKAB CC(C)c1nc(Cc2cccc(F)c2)c(C(=O)O)cc1-c1ccccc1F 257214455 CMCFKPKPSWOPJZ-UHFFFAOYSA-N 367.395 5.439 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2c(Cl)cccc12 408624743 ZNYSQHXXMIXYAF-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB CCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCC)c(Cl)c2)C1=O 409060450 VHWYNTDIRTXRTL-LCYFTJDESA-N 374.289 5.229 0 40 FKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409252084 SEUYBILXIODMDM-UHFFFAOYSA-N 374.484 5.187 0 40 FKAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 611945306 CKALIQMAGGEHCO-GUTXKFCHSA-N 357.416 5.086 0 40 FKAB CCC(=O)N(CCc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 932675 VRKADRGACMELKS-UHFFFAOYSA-N 350.487 5.104 0 40 FKAB Cc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@@H](C)S1 1044124 XXLGDEHSVOVECD-CYBMUJFWSA-N 359.882 5.178 0 40 FKAB Cc1nc(SCC(=O)c2ccc(C)c(C)c2)c2c(C)c(C)sc2n1 1340320 CUHQRZHKLNPJEW-UHFFFAOYSA-N 356.516 5.208 0 40 FKAB CC(C)Nc1nc(Oc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1 1396763 UJEFZKJJQQWHML-UHFFFAOYSA-N 366.170 5.415 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccncc2)N3)C1 4109066 UTZQGBSECKTNMR-DYVFJYSZSA-N 355.507 5.113 0 40 FKAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(Cl)s4)sc32)s1 4174131 CWDLHZMRALNPNV-UHFFFAOYSA-N 365.892 5.182 0 40 FKAB CCOc1ccc(/N=c2\scc(-c3ccc(C)c(C)c3)n2CC)cc1 4525388 ZXODCHCGQQFRMT-DQRAZIAOSA-N 352.503 5.484 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)oc1ccccc12 4538905 GLJOXVZEULXROU-UHFFFAOYSA-N 367.404 5.757 0 40 FKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNC(=O)C3CC3)[C@@H]1CC2 4698058 MYJYYQOEZZKMCH-QTJGBDASSA-N 353.550 5.347 0 40 FKAB CC[C@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1cc2c(cc1Cl)OCO2 4748215 DHABYFASWXICCE-YEWWUXTCSA-N 364.869 5.301 0 40 FKAB O=C(OCc1c(F)cccc1Cl)C1c2ccccc2Oc2ccccc21 5506861 YROLJDWWUKZLHP-UHFFFAOYSA-N 368.791 5.460 0 40 FKAB O=P1(Nc2nccs2)C=C(c2ccccc2)OC(c2ccccc2)=C1 5735857 NXJRRTKLEDVLLK-UHFFFAOYSA-N 366.382 5.861 0 40 FKAB CCCCN(CCCC)C[C@@H](O)c1ccc(CCc2ccccc2)cc1 5973440 CTGMNONNCMJGGN-XMMPIXPASA-N 353.550 5.407 0 40 FKAB Cc1cc2oc(=O)cc(COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)c2cc1C(C)C 6611596 YEFFADSCHKFGFX-GVDBMIGSSA-N 368.473 5.094 0 40 FKAB CCc1ccc(C2=Nc3ccc(Cl)cc3C(c3cccs3)=NN2)cc1 6821901 PGWSLRYJVYEQKR-UHFFFAOYSA-N 365.889 5.398 0 40 FKAB CCCCCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 7261299 REXNIEJABJIFQO-UHFFFAOYSA-N 361.913 5.598 0 40 FKAB CCCCc1ccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 12763266 WYIVLAHZMBOCDG-UHFFFAOYSA-N 361.489 5.392 0 40 FKAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1 12951837 YQNXNMNBEAHLIT-ZDUSSCGKSA-N 372.877 5.255 0 40 FKAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 13409175 BESWZNZZPZNJEO-GVJRVEROSA-N 358.566 6.312 0 40 FKAB Fc1ccc(CCNCc2cccc(OCc3ccccc3Cl)c2)cc1 16450065 HEDSXBLRJSUNNF-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20110422 SJIBUBZOPPTZPN-HNNXBMFYSA-N 371.786 5.463 0 40 FKAB CSCc1c(C(=O)Nc2cc(Cl)ccc2N(C)C)oc2ccccc12 24771623 MYIAGYJTTAWVMD-UHFFFAOYSA-N 374.893 5.268 0 40 FKAB Clc1ccccc1Cn1cc(CNCc2ccccc2)c2ccccc21 28427793 OQEHMINIOBHPDM-UHFFFAOYSA-N 360.888 5.633 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 30854224 OSMWOKKVFUYOCT-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB O=C(O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127229 MFUIYZDHKKYMSJ-UHFFFAOYSA-N 356.592 5.082 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 44850271 NLYLDCBZHVEKCR-CYBMUJFWSA-N 351.368 5.235 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2Cl)[nH]n1 57412306 KOJIRSINXQPELU-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1Cl 59461312 KLOHGCGPBAOVBG-UHFFFAOYSA-N 370.817 5.569 0 40 FKAB CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 59477529 OYWMIGGQDJSASM-FYWRMAATSA-N 374.440 5.337 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)C 72214758 NXHFUQTVSOVQDV-SFHVURJKSA-N 361.530 5.169 0 40 FKAB Cc1[nH]c(-c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)nc1-c1ccccc1 95468304 NKXJBQARKJWDED-UHFFFAOYSA-N 369.512 6.583 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 216377312 IZPKJDNSFAHLBT-IBGZPJMESA-N 373.496 5.483 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 222996661 QTMNMMNJGQYVML-QFIPXVFZSA-N 367.489 5.421 0 40 FKAB Cc1ccc2nc(C)c(C(=O)Nc3ccccc3Sc3ccccc3)n2c1 223148361 OIGGIBRHOQHPMX-UHFFFAOYSA-N 373.481 5.355 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCCCC2)cc1 224096351 PPJGPFPLZVFBRT-UHFFFAOYSA-N 370.496 5.177 0 40 FKAB CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962910 BFIJFNZITWKAKX-UHFFFAOYSA-N 354.837 5.144 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1OCC 225065326 MJPYNOSTYSYIEL-UHFFFAOYSA-N 369.461 5.058 0 40 FKAB CCC1(CC)C[C@@H](NC(=S)Nc2ccc(C)cc2)c2ccccc2O1 225452741 YCTCSORRROWLEF-GOSISDBHSA-N 354.519 5.364 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225698252 XMXLATAAYHNDDB-JOCHJYFZSA-N 355.478 5.190 0 40 FKAB CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(C)OC(=O)CC)[C@H]2CC1 263593644 BMRFXSRZXNRFQD-QIDUPKOMSA-N 372.549 5.801 0 40 FKAB COc1cccc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c1 408600513 CGMVTHPJAAFMFJ-VGOFMYFVSA-N 363.388 5.279 0 40 FKAB COc1ccc(/C=C(/C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 409027127 AIWKOHHETRPZAY-PTGBLXJZSA-N 361.485 5.243 0 40 FKAB C[C@]1(C(=O)Nc2ccc(F)cc2)CC2c3ccccc3C1c1ccccc12 866644 PRQGZBGIHVQOEG-IWAAJCSBSA-N 357.428 5.452 0 40 FKAB O=c1c2c(-c3ccccc3Cl)csc2[nH]c(=S)n1-c1ccccc1 939413 IIEAATKIRJAITR-UHFFFAOYSA-N 370.886 5.430 0 40 FKAB CC(=O)O[C@H]1c2ccccc2N[C@@H](c2ccc(Br)cc2)C1(C)C 1445831 IDACFZAQMMOCEQ-ROUUACIJSA-N 374.278 5.246 0 40 FKAB CCCCc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 1787717 FUYCNUKHADRRLC-UHFFFAOYSA-N 352.261 5.597 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1F)C1(c2ccccc2)CCCC1 2512604 WWEDDLDSWGYVFK-UHFFFAOYSA-N 351.343 5.295 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nc(C)sc3c2)c1 2645469 VTNOQKWMJVGRGY-UHFFFAOYSA-N 354.475 5.054 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)c(C)c1 3912276 GMAVHQPATHZEHA-UHFFFAOYSA-N 369.472 5.055 0 40 FKAB Cc1ccccc1-c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 4070405 FNFHXUYHIOJTBO-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 4619150 OBPWGIIZXFSGSR-HXUWFJFHSA-N 371.524 5.894 0 40 FKAB CCO[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 4896290 CPLHRXMRMDSXNE-JWQCQUIFSA-N 373.496 5.150 0 40 FKAB CCCC(=O)Nc1ccc2oc(-c3ccc(Br)c(C)c3)nc2c1 5524537 IMKJKGAXPCFJFJ-UHFFFAOYSA-N 373.250 5.304 0 40 FKAB CCCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(F)cc32)cc1 6500717 DYLDLIAFOKEEPF-UHFFFAOYSA-N 373.431 5.048 0 40 FKAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1Cl 6866171 CZVOATKRBVMHQG-CHHVJCJISA-N 366.631 5.300 0 40 FKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1c(F)cccc1Cl 6947657 FERUYVSWTBFPJV-UHFFFAOYSA-N 368.767 5.133 0 40 FKAB Cc1cc(C)c(NC(=O)N2c3ccccc3Sc3ccccc32)c(C)c1 13717181 WDBDWLIGZWETAO-UHFFFAOYSA-N 360.482 6.447 0 40 FKAB CCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 14269010 HEZQPAUGFJJBCZ-QGZVFWFLSA-N 352.478 5.107 0 40 FKAB CC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 17484505 NEZQNIDHYDPLTN-UHFFFAOYSA-N 353.491 5.155 0 40 FKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\CCCCCC(=O)O)c2c1 19793962 RDYPPYQFTPMEOJ-HIXSDJFHSA-N 363.457 5.208 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 19933233 GZHRVJCNAYFWIC-GOSISDBHSA-N 364.533 5.296 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 20106201 ALDDXRFFDFPDQU-RTBURBONSA-N 367.533 5.554 0 40 FKAB CC(C)C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 20492468 BMEUYFGQUSQEES-UCPLLFFYSA-N 359.469 5.724 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 22515482 XKDQOLJAXIUEAV-JDZKTDJGSA-N 351.490 5.273 0 40 FKAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)C2)cc1 38935570 SLGKACMLSKQDTL-KRWDZBQOSA-N 352.478 5.014 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 40406108 MSSRKTSVXGKBDH-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB O=C(c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCCC1 41127555 MNEOQRFMWPYMCM-UHFFFAOYSA-N 361.228 5.038 0 40 FKAB CCOc1ccc2nc(C)cc(Nc3ccccc3Br)c2c1 41127721 VAOBLMVLMJFCKL-UHFFFAOYSA-N 357.251 5.448 0 40 FKAB CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1ccc(F)cc1 48261451 ZCVFWPQAZSQXTL-UHFFFAOYSA-N 368.477 5.162 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57412595 DXXJTUJWJIGQBU-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212047 YXZDAAWWSKBHLK-LJQANCHMSA-N 368.477 5.123 0 40 FKAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc2ccccc2c1 225091890 PEKXEUWRVPXXAY-GOSISDBHSA-N 361.224 5.221 0 40 FKAB Cc1ccc(SCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225285831 NPWHLZQITPLRHE-UHFFFAOYSA-N 370.465 5.093 0 40 FKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1-c1ccccc1 225458309 ZWGWCCISYWNZGD-UHFFFAOYSA-N 357.453 5.250 0 40 FKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225614751 SMSDVAOBOAORDH-UHFFFAOYSA-N 361.526 5.424 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225736654 CUVCEYWJBGQSDC-XMSQKQJNSA-N 363.542 5.651 0 40 FKAB Cc1ccc(C)c(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225809742 AVRBIZJKOSLZKH-UHFFFAOYSA-N 356.510 5.241 0 40 FKAB CCOc1ccccc1NC(=S)NC1(c2cccc(C)c2)CCCC1 225847685 BSUWHIJDGYLVSX-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cccc(Cl)c1 226092869 WGFVSRAQJINFEY-UHFFFAOYSA-N 366.686 5.480 0 40 FKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc2ccccc2o1 408623655 YMXJJPTZXKUYLH-UHFFFAOYSA-N 359.450 5.977 0 40 FKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409015604 SQSPUGXIXMMFSE-HPUUJOOBSA-N 361.850 5.435 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSCc1c(Cl)cccc1Cl 409173607 MJAKOFLTZDWVFO-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB O=C(NCCc1ccc(-c2ccsc2)s1)c1c(F)cccc1Cl 575414080 QDWORPBAXCSHMQ-UHFFFAOYSA-N 365.882 5.242 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 675341 SMRWHFREFAGAFJ-UHFFFAOYSA-N 360.295 5.616 0 40 FKAB O=c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)coc2ccccc12 688084 DHQFJZKMSKHDQI-UHFFFAOYSA-N 364.404 5.517 0 40 FKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 826426 AONGFAYHYUNNOK-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CCc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1 868380 SKNSQSCVCQWNBF-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1Cl 872968 JNKXWYSJBPCXIJ-UHFFFAOYSA-N 355.768 5.826 0 40 FKAB O=P(NC1CCCCC1)(OCc1ccccc1)OCc1ccccc1 1594736 GNUKKMHUFBPOIP-UHFFFAOYSA-N 359.406 5.450 0 40 FKAB Cc1ccccc1C[C@@]1(Br)CC(C)(C)c2ccccc2C1=O 1754592 QUILCJBMGKHGDA-HXUWFJFHSA-N 357.291 5.235 0 40 FKAB CC(C)CC[C@@]1(CCN[C@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 2453805 CODQGSPQNINKTM-XMSQKQJNSA-N 365.989 6.392 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C12CC3CC(CC(C3)C1)C2 4071291 FXABGXNNQPJVTC-UHFFFAOYSA-N 356.466 5.104 0 40 FKAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cccc2ccccc12 4249048 WKEZAAOUHBASHD-UHFFFAOYSA-N 371.465 5.061 0 40 FKAB CSc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 5222544 OCUVWHVPZIDPDL-UHFFFAOYSA-N 366.920 5.499 0 40 FKAB Clc1ccc2oc(-c3cnc(Nc4cccc5ccccc45)nc3)nc2c1 5338647 LXXZACVBVWCHCB-UHFFFAOYSA-N 372.815 5.835 0 40 FKAB CC(C)c1ccccc1OCc1ccc(-c2nc(CC(=O)O)cs2)cc1 5592477 GXAQIMHJICUTPL-UHFFFAOYSA-N 367.470 5.140 0 40 FKAB COc1ccc2oc(C(=O)Nc3ccc(C)cc3Br)c(C)c2c1 6287237 RRRGHYSYOYWGDX-UHFFFAOYSA-N 374.234 5.073 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1ccccc1 6431694 XITZQFUHQSMBOM-BUHFOSPRSA-N 358.828 5.210 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 6450981 SRUNKZSGPPWICX-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 8498004 NQUPAXNNJRWFOB-DEOSSOPVSA-N 373.496 5.381 0 40 FKAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1C 9141120 WXQFNQVZXRZYQT-UHFFFAOYSA-N 356.425 5.042 0 40 FKAB Clc1ccc(/N=c2\scc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 12559495 WYJOTHJYNDROQN-BKBKCADHSA-N 370.905 5.281 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 12619325 WDPWQBLXPMBDSV-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(Cl)cc3C)cs2)cc1 12814169 YBSIJOSEFHSARP-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 13709514 NKBHQNOYIKTMRZ-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB c1ccc(COc2ccc3ccccc3c2CNCc2cccs2)cc1 16480654 KGGDQYPCKGSQTC-UHFFFAOYSA-N 359.494 5.770 0 40 FKAB C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1 17309592 VXECLIOZHQIARP-INIZCTEOSA-N 364.876 5.443 0 40 FKAB CC(C)Oc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 20241935 SGSVFEJTYNDLQH-XQNSMLJCSA-N 357.453 5.653 0 40 FKAB O=C(CSCCC12CC3CC(CC(C3)C1)C2)Nc1c(F)cccc1F 24073038 YYADTKYQKFPCDS-UHFFFAOYSA-N 365.489 5.243 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1C 31912575 XKFARTUMSGPZSY-UHFFFAOYSA-N 368.433 5.073 0 40 FKAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 32978352 UYRCQJNIQILAOL-MRXNPFEDSA-N 365.860 5.410 0 40 FKAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)OC(C)C)cnc2n1 49004490 AAMDYJIXEFLZNJ-UHFFFAOYSA-N 373.815 5.040 0 40 FKAB FC(F)(F)c1ccccc1NCc1nnc(-c2cccc(Cl)c2)o1 62649879 TZCWMJQREAZEDU-UHFFFAOYSA-N 353.731 5.021 0 40 FKAB CC(C)Oc1ccc(CN[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 75572842 QMJZUWWZQFRAMG-HXUWFJFHSA-N 365.477 5.011 0 40 FKAB Brc1ccc(OCc2ccccc2)c(CNc2ccccc2)c1 107028215 XRCYWPXFORQSJJ-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 139145848 GACLMFLUEYFDPT-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222956568 RKQXWMRPSBMJSX-KRWDZBQOSA-N 365.517 5.119 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222959295 ITUHWYIGVXZRCX-ROUUACIJSA-N 373.496 5.363 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1C 223398306 FFSJCHWAMPBKMD-INIZCTEOSA-N 361.938 5.376 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224967126 GZUUOZRYDUWSBG-OAQYLSRUSA-N 366.505 5.090 0 40 FKAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 225672232 PFSPQKVGJOHMOP-GOSISDBHSA-N 354.519 5.201 0 40 FKAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCCC1 225711911 RVAYWGKBUKZWCR-UHFFFAOYSA-N 359.510 5.384 0 40 FKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)n1 225917724 XXESZQCKTZTOCE-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB CC(C)c1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 226286877 WAEQSVDPMOUCFC-UHFFFAOYSA-N 368.436 5.779 0 40 FKAB C[C@H](Sc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408773808 STQDVPVIJIWZBE-IBGZPJMESA-N 361.510 5.396 0 40 FKAB Cc1ccc(Oc2coc3cc(OC(=O)CC(C)(C)C)ccc3c2=O)cc1 645456 CGHXENOPHCYOER-UHFFFAOYSA-N 366.413 5.235 0 40 FKAB COc1ccccc1OC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 868198 KLUTZCSLXHTLTP-UHFFFAOYSA-N 369.420 5.438 0 40 FKAB Nc1ccccc1S[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 1045336 RWQZUDUEDNKJJX-OAQYLSRUSA-N 367.901 6.029 0 40 FKAB COc1cc2c(cc1OC)[C@@H](C)N(CC1(c3ccccc3)CCCC1)CC2 1323567 HXXADRUXTPPUBK-GOSISDBHSA-N 365.517 5.135 0 40 FKAB biogenic Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1Sc1ccccc1 1465103 PQNXETCBPWRFNP-UHFFFAOYSA-N 368.527 5.280 0 40 FKAB CC(C)CCOC(=O)c1cc2ccccc2cc1C(=O)OCCC(C)C 1713088 SMZRPVSSAVLTSY-UHFFFAOYSA-N 356.462 5.246 0 40 FKAB O=C(CSc1nc2ccccc2s1)Oc1ccc(Cl)cc1Cl 1760617 QWRLHAUCJJLKBT-UHFFFAOYSA-N 370.282 5.301 0 40 FKAB COc1ccc(C)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1777379 IDMFINUQXGWVRQ-UHFFFAOYSA-N 368.260 5.108 0 40 FKAB Cc1nn2c(NCc3ccccc3)cc(C(C)(C)C)nc2c1-c1ccccc1 2209565 QQXBWTNFZYNHJP-UHFFFAOYSA-N 370.500 5.614 0 40 FKAB O=C(Nc1ccccc1)Nc1nc2c(s1)CCCCCCCCCC2 2251736 JHAIWGHFQINGFK-UHFFFAOYSA-N 357.523 6.007 0 40 FKAB Clc1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)cc1Cl 2270161 IJWPWFHEKQHRAD-UHFFFAOYSA-N 372.299 5.984 0 40 FKAB CCc1ccccc1/N=c1\ssc2c1-c1ccc(C)cc1NC2(C)C 2290118 LPKOOVZVMBLNJF-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB CN(C)[C@@H](CNc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 3401463 HAKTWRSIDQACHF-IBGZPJMESA-N 374.513 5.073 0 40 FKAB O=C(c1ccc(F)cc1)c1ccc(OCc2ccccc2C(F)(F)F)cc1 3415155 YEGGGSLYYJHSJM-UHFFFAOYSA-N 374.333 5.655 0 40 FKAB CSc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 4517573 JPXGUVOWQNVJNI-UHFFFAOYSA-N 350.468 5.424 0 40 FKAB c1ccc(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc34)C2)cc1 4832357 RPTMKIOZURXTPS-RUZDIDTESA-N 365.501 7.198 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 5059618 IFNLMSYDGXHDLM-UHFFFAOYSA-N 368.820 5.119 0 40 FKAB Cc1cc(C)c(NC(=O)CSc2ccc3ccccc3n2)c(Cl)c1 5626830 JPIGGDJBTWQZCH-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB FC(F)(F)c1ccc(Cl)c(NN=C2c3ccccc3-c3ccccc32)c1 5738804 JQYYZXBYRNEXIW-UHFFFAOYSA-N 372.777 6.204 0 40 FKAB C[C@H]1CCCCN1C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 6481037 NFNPEPXDYAFWHJ-NRFANRHFSA-N 369.508 5.422 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 6563203 YINIYSCRWAZXHF-UHFFFAOYSA-N 373.330 5.420 0 40 FKAB Clc1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6616309 ISZOWBFUUQVCTQ-IBGZPJMESA-N 355.915 6.759 0 40 FKAB CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2ccccc21 6649899 ADUUAUJAUGRBFG-NSHDSACASA-N 356.476 5.021 0 40 FKAB CCCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(C)cc2)cs1 6825906 SJBSHJXNMCETJG-UHFFFAOYSA-N 370.905 5.829 0 40 FKAB CCN1C(=O)/C(=C/c2ccc(OCC(C)C)c3ccccc23)c2ccccc21 6953669 GKWBPVSDNHYAJD-PXLXIMEGSA-N 371.480 5.782 0 40 FKAB Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccc(F)cc1 6960094 TYHVZYFLXDCGAO-UHFFFAOYSA-N 372.468 6.414 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccc(Cl)nc1 8471805 MAARWGAKHIHXHQ-UHFFFAOYSA-N 374.912 5.135 0 40 FKAB Cc1ccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)cc1C 9639032 REWYZHCIQACZKJ-UHFFFAOYSA-N 350.487 5.768 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc12 12063238 DTSGICHLYIGHGS-UHFFFAOYSA-N 372.493 5.684 0 40 FKAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1cccc(Cl)c1 15109320 FSDJSSRBAQQPCA-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CNC(=O)C3CC3)[C@H]1CC2 15321420 MYJYYQOEZZKMCH-NHTMILBNSA-N 353.550 5.347 0 40 FKAB CC[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17268891 HNXWQJGJVUIVFN-CYBMUJFWSA-N 366.465 5.445 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 20045381 JZWQYKOSNNKZSH-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB CCc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2s1 22254911 XDHIXEBJNGXEQO-UHFFFAOYSA-N 350.365 5.130 0 40 FKAB COc1cc(OC)cc(Oc2nc(-c3ccsc3)nc3ccccc23)c1 22806912 RCZIJBUKXCPMKH-UHFFFAOYSA-N 364.426 5.168 0 40 FKAB COc1ccc([C@H]2NC(c3nc4ccccc4s3)=Nc3ccccc32)cc1 27753525 GTXVIVYZCJJCTB-HXUWFJFHSA-N 371.465 5.076 0 40 FKAB Cc1cc(Br)c2oc(-c3ccc(Cl)cc3Cl)nc2c1 40542325 KOUFIGZPNHPORA-UHFFFAOYSA-N 357.034 5.873 0 40 FKAB CC(C)Sc1ccc([C@H](C)NC(=O)c2occc2Br)cc1 98008885 HUEMLQKLRVNNIV-NSHDSACASA-N 368.296 5.034 0 40 FKAB COc1ccc2c(c1)-c1c(ss/c1=N/c1ccccc1C)C(C)(C)N2 102807767 AAVMKELJURHVSF-XUTLUUPISA-N 368.527 5.687 0 40 FKAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O[C@@H]1CCCCO1 118915122 ZULBOIQTAAUGKN-RVRMDDPESA-N 374.565 5.510 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219379143 XRAAVCKTVMFJOK-SFTDATJTSA-N 353.506 5.345 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1C(C)C 223330003 PRMPAYIWLWGTMO-QZTJIDSGSA-N 369.505 5.080 0 40 FKAB CCc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 225498079 LWJLGSXDDNBULD-FQEVSTJZSA-N 356.535 5.331 0 40 FKAB Cc1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225502534 CYPNRMHAOUFYMC-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225704762 GVZMGGHTNLCPQA-QFIPXVFZSA-N 361.526 5.630 0 40 FKAB CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1C 408612579 STFZPLYSESRIOL-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 408623426 UBTLDCICHRDEPE-UHFFFAOYSA-N 365.043 5.561 0 40 FKAB COc1ccc2c(c1)Cc1sc(Nc3ccc(Br)cc3)nc1-2 408891537 SDNBQJFJENDOAW-UHFFFAOYSA-N 373.275 5.229 0 40 FKAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(OCC)cc1 409096727 GLTFXTLBHNAAIV-UHFFFAOYSA-N 367.518 5.149 0 40 FKAB CC(=O)Nc1ccc(-c2cn3cc(Sc4ccccc4)ccc3n2)cc1 633464 YAUPTRTZOASPED-UHFFFAOYSA-N 359.454 5.111 0 40 FKAB COc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1 675691 WGJHAMCYSMSSJJ-UHFFFAOYSA-N 368.527 5.913 0 40 FKAB CCOc1ccc(C2=C(Cl)C=C(c3ccccc3)c3ccccc3O2)cc1 1866819 UWKZUBOYNPOSDQ-UHFFFAOYSA-N 374.867 6.517 0 40 FKAB Cc1nn2c(Nc3ccc(Cl)cc3)c3c(nc2c1-c1ccccc1)CCC3 2433557 MMQQROPLMWELDT-UHFFFAOYSA-N 374.875 5.590 0 40 FKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc2ccccc2c1 4135307 FZFBVDMSEJJFFQ-UHFFFAOYSA-N 359.381 5.015 0 40 FKAB CC(C)c1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1 4151472 OFLWCQNVMZPNAV-CDMCTNBCSA-N 361.485 5.805 0 40 FKAB CC1(C)OC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 4403607 UMSIGAOAHUCMMZ-QHCPKHFHSA-N 374.480 5.147 0 40 FKAB COc1ccccc1/C=C/c1nc2ccccc2n1[C@H](C)c1ccccc1 5248998 NJJMRZYIRZSBFW-IECKCJDVSA-N 354.453 5.825 0 40 FKAB COc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 5355196 CBYWHFTZNVZQHV-UHFFFAOYSA-N 358.478 5.377 0 40 FKAB biogenic,in-vitro CCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 5465306 TYIPGFNAWVGRHL-UHFFFAOYSA-N 359.282 5.222 0 40 FKAB FC(F)(F)c1cc(Nc2ncnc3sccc23)ccc1Br 5689368 ATIYNUSLKWIGDM-UHFFFAOYSA-N 374.185 5.216 0 40 FKAB CC(=O)Nc1ccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 6265962 CQHCYFMGKJVMRX-HSZRJFAPSA-N 370.456 5.031 0 40 FKAB Cc1nn2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc2c1Cl 6527053 ZESISXANWMOKDN-UHFFFAOYSA-N 351.828 5.097 0 40 FKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)cc1 6747476 VQIDJYWZZYOLKC-UHFFFAOYSA-N 365.448 5.559 0 40 FKAB Cc1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1Cl 6866137 BZUYLHHOQSHRGK-NVNXTCNLSA-N 366.631 5.300 0 40 FKAB Fc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789448 ZPGAVOSUYHTYMK-UHFFFAOYSA-N 364.449 5.193 0 40 FKAB Cc1ccc(/C=C\c2ccccc2/C(=C/c2ccccc2)C(F)(F)F)cc1 8384049 XGFWKWKWPZAHLD-RDXSCITOSA-N 364.410 7.268 0 40 FKAB CC(C)Oc1ccc([C@@H](N[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 9054204 PCQWAAMGLVFKII-IRLDBZIGSA-N 353.506 5.110 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 10330462 UZGDPQCPCWLFSS-UHFFFAOYSA-N 359.469 6.174 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 11328908 AKWNYMAPHUJGTM-UHFFFAOYSA-N 368.864 5.690 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14397672 QQPJSAIPXXUYMD-LBPRGKRZSA-N 368.260 5.025 0 40 FKAB Cc1cccc(Oc2ccc(Cl)cc2NCc2ccc(C#N)cc2F)c1 15517173 GOPWOVCPGBDODF-UHFFFAOYSA-N 366.823 6.064 0 40 FKAB C/C=C\C(=O)N(c1ccc(N(C(=O)/C=C/C)[C@H](C)CC)cc1)[C@@H](C)CC 16891911 VCKUTQXWHQGXHO-MDUBYECWSA-N 356.510 5.102 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 44900428 DUHQWRQPGXTURC-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 97393650 AUFNUTNMRDHQLQ-LBPRGKRZSA-N 368.355 5.327 0 40 FKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)n1 148159705 YEGQYYVYQGBDPT-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 216361316 UFOUUXJMNQVQGK-UXHICEINSA-N 359.897 5.401 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)c(Cl)c1 225665130 DETGOQBLPWQNKX-LJQANCHMSA-N 373.880 5.024 0 40 FKAB CCCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225860647 GFUQYFUCNOZQJK-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226343143 KBSQBEXERJLOLB-UHFFFAOYSA-N 366.056 5.063 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253611236 CLPGKLFDFQUHLE-LZYQXXIISA-N 360.538 5.166 0 40 FKAB CCOP(=O)(OCC)C(F)(F)[C@H](Nc1ccccc1)c1ccccc1 306145747 OZODFIXNVLOUDG-QGZVFWFLSA-N 369.348 5.699 0 40 FKAB Fc1cccc(OCCCN2CCCCC2)c1Oc1ccc(Cl)cc1 585266210 MOAYLFZBARKOBJ-UHFFFAOYSA-N 363.860 5.526 0 40 FKAB Clc1ccc(CSc2nnc(Cc3ccccc3)o2)c(Cl)c1 888182 BTIYRROGPHXLCR-UHFFFAOYSA-N 351.258 5.260 0 40 FKAB CC(=O)Nc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 1253747 CZEYHAXFEFMROS-UHFFFAOYSA-N 359.454 5.665 0 40 FKAB CCC(=O)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl 1265691 PGERHCYHROLTII-GFCCVEGCSA-N 356.853 6.010 0 40 FKAB CCCCOc1ccc(-c2ccc(C(=O)OCC(F)(F)F)cc2)cc1 2187380 INKJXSHDZQMZTM-UHFFFAOYSA-N 352.352 5.252 0 40 FKAB O=C(Sc1ccc(Br)cc1)c1cnc(Cl)c(Cl)c1 2581924 FWKAZSMBIFLNSA-UHFFFAOYSA-N 363.063 5.083 0 40 FKAB O=C(CCCSc1nc2ccccc2s1)Nc1ccccc1Cl 2644548 RMONBJRRXNRTGP-UHFFFAOYSA-N 362.907 5.461 0 40 FKAB COc1ccc(NC(=O)c2sc3ccccc3c2Cl)c2ccccc12 4076452 IJPSXJWADXSONQ-UHFFFAOYSA-N 367.857 5.969 0 40 FKAB CCCc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1CCCC2 4193081 UIJAXSPVGLDEHA-UHFFFAOYSA-N 366.534 5.061 0 40 FKAB COc1ccccc1NC(=O)c1cc2sccc2n1Cc1ccccc1 4970942 FWJDYYOOYKQUJS-UHFFFAOYSA-N 362.454 5.012 0 40 FKAB CC(C)N(C(=O)c1cc2sccc2n1Cc1ccc(F)cc1)C(C)C 4971358 JOCFAYHTTHSPTH-UHFFFAOYSA-N 358.482 5.149 0 40 FKAB CCOc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 5034764 OAKDJFKXDFBCMK-UHFFFAOYSA-N 358.397 5.146 0 40 FKAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C 5276845 PFCVPDHSSAWHDG-OLMNPRSZSA-N 355.478 5.313 0 40 FKAB Cc1nc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1Cl 10119499 NBKWGQODISORLD-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB Cc1nc(SCc2cc(-c3ccco3)on2)n(C2CCCCC2)c1C 12529420 LSXQJOIJSZJDNU-UHFFFAOYSA-N 357.479 5.545 0 40 FKAB Cc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c2ccccc2n1 14092964 VYQAAHZDGXPFPJ-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB Cc1cc(C)c(NC(=O)/C=C/c2ccccc2Br)c(Cl)c1 14669278 JULFKRDYHMZQKU-BQYQJAHWSA-N 364.670 5.371 0 40 FKAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1 16201289 GMDCFVLYYICTLY-XPLVDZNXSA-N 363.379 5.094 0 40 FKAB S=C(NCCc1cccs1)Nc1ccc(Oc2ccccc2)cc1 16265651 JSCOZERQRRIXTM-UHFFFAOYSA-N 354.500 5.070 0 40 FKAB Clc1ccc(CN[C@H](Cc2cccs2)c2nccs2)cc1Cl 19343334 WKEUMUWYJOFFRI-OAHLLOKOSA-N 369.342 5.585 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C)ccc1C 20106012 FENZDMNUOUKVRK-GCJKJVERSA-N 361.485 5.491 0 40 FKAB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCCO)c1C 22855890 AWNGUWRHRCPVTJ-XDOYNYLZSA-N 372.921 5.102 0 40 FKAB CC(C)c1noc([C@H](C)Sc2nc(-c3ccco3)nc3ccccc23)n1 24758342 FFJQIWBKWHEIHV-LBPRGKRZSA-N 366.446 5.250 0 40 FKAB CC(C)c1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccccc3)c2n1 27585246 CIJKPWQYMRMOMM-UHFFFAOYSA-N 362.864 5.917 0 40 FKAB COc1cc(OC)c(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)cc1Cl 32796780 NZDVIKVZNCJIMC-UHFFFAOYSA-N 372.852 5.214 0 40 FKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2cccc(Cl)c2)cc1 44087246 QVNRJXFJOPUFOM-UHFFFAOYSA-N 372.921 5.949 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(OCC)cc3)c2c1 46086127 QSOLVWWLHIHRPK-UHFFFAOYSA-N 367.445 5.571 0 40 FKAB C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(Cl)s1 58365571 JBAKBNFWEGEBSL-JTQLQIEISA-N 365.882 5.760 0 40 FKAB CCn1c2ccccc2c2cc(N[C@@H](C)c3nc(C(C)(C)C)no3)ccc21 58406623 IJBWDFSERVTCPH-AWEZNQCLSA-N 362.477 5.668 0 40 FKAB Cc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 64471582 WVPSLPNRVDRCHE-UHFFFAOYSA-N 363.436 5.052 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 72215147 QDFIDWLGSAYJAM-SJLPKXTDSA-N 361.530 5.169 0 40 FKAB CC(C)Sc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72217511 UTRAEIOZTKUYRZ-IBGZPJMESA-N 370.518 5.446 0 40 FKAB CCCCCC(=O)Nc1cccc(-c2nc3cc(OC)ccc3o2)c1C 72260299 MYOHNBSALRSEIS-UHFFFAOYSA-N 352.434 5.331 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 78458803 ZXUAOENQBVMISB-MOPGFXCFSA-N 353.506 5.380 0 40 FKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C)c(C)c1 218979473 PATGTARWZOCSIK-DEOSSOPVSA-N 373.496 5.764 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccccc2F)cc1C(C)C 223380050 PGFCLEDJFCLXDO-INIZCTEOSA-N 357.469 5.076 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1C)c1ccc(OC)c(C)c1 223438756 LWVRXQDCFJWBCW-VQTJNVASSA-N 369.505 5.045 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 224053965 AMCIJLHEZDXRHX-JPYJTQIMSA-N 365.517 5.236 0 40 FKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(OC(C)C)cc1 225362367 GSAWLJWPFRNEBC-UHFFFAOYSA-N 374.575 5.002 0 40 FKAB CC(C)Oc1cccc(CCCNC(=S)Nc2cccc(Cl)c2)c1 225564200 AKGGSROFYUNGDG-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2cccc(Cl)c2)c1 225602889 UXYMBRORIMVLCV-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(-c3ccc(F)cc3)cc1)OC2(C)C 257237508 HGVIMLKKURIXLN-VLNSVQMVSA-N 354.465 5.366 0 40 FKAB CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OC 314220323 ATIFQEXXZBNZNM-UHFFFAOYSA-N 364.283 5.031 0 40 FKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1 408605324 GIJSTRADXCZEDG-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(CSCc2ccccc2)cc1 408783378 KUAPBJXFGHXIQE-UHFFFAOYSA-N 367.901 6.026 0 40 FKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(C)cc1 409114236 GIDNTMUADVYBAZ-MOSHPQCFSA-N 371.436 5.075 0 40 FKAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(C2CCCCC2)CC1 585282098 XSNIWDCFXGIRJP-UHFFFAOYSA-N 372.336 5.186 0 40 FKAB Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(C)c3)c2C)cc1 669730 OWZPNRLXSRKJTO-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc2ccccc12 677052 FPZVAJNSHNMFCW-UHFFFAOYSA-N 364.404 5.900 0 40 FKAB Cc1ccc(NC(=O)C(F)(F)Oc2ccc(Cl)cc2C)cc1Cl 1396717 QEHLBLHWRXPEBL-UHFFFAOYSA-N 360.187 5.221 0 40 FKAB Cc1nn2c([C@@H](C)Oc3ccc(Cl)cc3Cl)ccnc2c1Cl 1406916 LRONLQIQZDSXHI-SECBINFHSA-N 356.640 5.138 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2081883 YNTCLKVKNJQWDE-HXUWFJFHSA-N 367.901 6.121 0 40 FKAB CCC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2360590 LIHNRUIINOFLKT-UHFFFAOYSA-N 350.805 5.650 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c1 3116696 CEZGOULVIMADCX-UHFFFAOYSA-N 353.874 6.052 0 40 FKAB CCOc1ccc2nc(SCc3nc4ccccc4s3)sc2c1 3260042 DPBNRWJKKXKWRA-UHFFFAOYSA-N 358.513 5.597 0 40 FKAB Cc1cc(C)cc(N(C(=O)C2CCCCC2)c2nc3ccccc3s2)c1 3302197 YSURNSSHMYKUHW-UHFFFAOYSA-N 364.514 6.158 0 40 FKAB Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c1 3444559 AIIYHOINDLYALP-UHFFFAOYSA-N 358.816 5.785 0 40 FKAB c1ccc(NNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5124973 BRXZLTCODOTNSF-UHFFFAOYSA-N 350.465 5.595 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(Cl)c1 6221154 PQCADMRGUKOSMO-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB Cc1cc(Br)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 6236370 MSPLIKNNOOGSAS-UHFFFAOYSA-N 360.034 5.284 0 40 FKAB COc1ccc(-c2cc(C(=O)NCC3CCCCC3)c3ccccc3n2)cc1 6457827 HYRUAOLKRWSUEJ-UHFFFAOYSA-N 374.484 5.221 0 40 FKAB CCCCCC(=O)Nc1ccc(-c2nc3cc([C@H](C)CC)ccc3o2)cc1 6778035 FMLFQAGWIBPKEH-MRXNPFEDSA-N 364.489 6.527 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 6966293 XGHYETQOZDJOLK-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 7080128 XMEJDTUKMJBYKE-INIZCTEOSA-N 373.452 6.117 0 40 FKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1ccccc1 7263885 ZWBDYEOCTDVMML-UHFFFAOYSA-N 371.358 5.390 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Br)cc1 9192292 LKFHRCVYUVDOTK-CQSZACIVSA-N 373.294 5.080 0 40 FKAB C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9758447 JACQOQDSEQIMPY-BFUOFWGJSA-N 360.860 5.333 0 40 FKAB CCc1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 10338794 NHIUPHNTSRWVRT-UHFFFAOYSA-N 356.680 5.781 0 40 FKAB C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(C(C)(C)C)cc1 13669766 ZILRUAKZVVBNNB-KIJZHVTOSA-N 373.496 5.995 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)C1 15106460 HJLKMEAWGDEDRM-CZUORRHYSA-N 355.503 5.079 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1cccc(Cl)c1Cl 15320756 RNJVSPACRUVELC-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1C 19523967 LAOZVECXVOAFLI-SFHVURJKSA-N 370.522 5.045 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC(C)C)cc1 20461826 TWWPHXGNPDMWBQ-NRFANRHFSA-N 363.457 5.423 0 40 FKAB COc1ccc2oc(=O)c(-c3csc(-c4ccccc4Cl)n3)cc2c1 20729462 ONQXVICILJSCMF-UHFFFAOYSA-N 369.829 5.246 0 40 FKAB Clc1cccc(-n2ccnc2SCc2cc(-c3ccco3)on2)c1 22079933 VCAGVCNPGQJVSC-UHFFFAOYSA-N 357.822 5.066 0 40 FKAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCc2ccccc21 29482593 KCKZKMSBPQAGKU-JOCHJYFZSA-N 372.468 5.037 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 44786860 HOFUWJRUACBRQR-IBGZPJMESA-N 370.924 5.116 0 40 FKAB CN(C)CC1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(F)cc1 71405259 KCFLGYCAABMXLC-OAQYLSRUSA-N 365.473 5.384 0 40 FKAB CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2ccc(O)cc2)S1 79475941 FXQCYGRLIGDMKF-SFHVURJKSA-N 369.877 5.177 0 40 FKAB Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 95939698 JKFIEQUXGQBZGP-CVEARBPZSA-N 352.821 5.046 0 40 FKAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2c(F)cccc2Cl)s1 96024507 ZSODPXUMKDFKPS-UHFFFAOYSA-N 374.868 5.149 0 40 FKAB Cc1cccc(CSCC(=O)NCCCc2ccc(C(C)C)cc2)c1 222748187 YEURLYJOKJDSBD-UHFFFAOYSA-N 355.547 5.101 0 40 FKAB CCc1cccc(CC)c1NC(=O)CSCc1ccc(Cl)cc1F 222958384 OBZSTRYQAPFBPD-UHFFFAOYSA-N 365.901 5.476 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225586567 JODJHABCZVPIHE-UHFFFAOYSA-N 358.576 5.587 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225747764 RFPAAXMDOOKTPS-GCJKJVERSA-N 363.542 5.795 0 40 FKAB CCCCc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225776175 XOODBSIEPPCVIC-UHFFFAOYSA-N 351.475 5.108 0 40 FKAB Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3Cl)[nH]2)cc1 226299456 QUEJDCFUIDHYBC-UHFFFAOYSA-N 364.301 5.303 0 40 FKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccc(N)c1 226303410 KRQDBFYRUCMVAK-UHFFFAOYSA-N 360.501 5.297 0 40 FKAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344678 XVCCNZQJVSPIQM-UHFFFAOYSA-N 369.635 5.367 0 40 FKAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408596318 RMUCPCIZVSGOCG-UHFFFAOYSA-N 367.301 5.244 0 40 FKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1cccc2ccccc12 1775971332 NZHQCRAXWHKMNF-UHFFFAOYSA-N 367.253 5.223 0 40 FKAB O=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 1016830 ANJWYIXDNUDJIM-OAHLLOKOSA-N 353.472 5.193 0 40 FKAB C[C@@H]1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1302305 CTWBZPZGQUGJLG-WDJPJFJCSA-N 368.500 5.051 0 40 FKAB CCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O 2091125 KUTJDKMSUWUIBO-UHFFFAOYSA-N 352.817 6.039 0 40 FKAB biogenic Cc1ccc([C@H](Sc2ccccc2)[C@H]2CCc3ccccc3C2=O)cc1 2106394 IQVOSGQJDGXWQF-UPVQGACJSA-N 358.506 6.274 0 40 FKAB COC(=O)N1CCCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 2151197 WCXASEZTVLKGBQ-OAQYLSRUSA-N 366.505 5.539 0 40 FKAB biogenic Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccn2)cc1 2232442 VSGBCWIYJXWVSK-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCc2ccccc21 2625841 QRBSETGEPHQABR-SFHVURJKSA-N 373.452 5.226 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 2788817 OBHUGHPNBRIAPI-LBPRGKRZSA-N 366.490 5.140 0 40 FKAB CC(C)CCC[C@H](C)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 4028491 KVJGMYWSXQADQY-NMXJZWMOSA-N 361.570 5.105 0 40 FKAB biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=C/c1ccc2cccc(O)c2n1 4151172 HXSXFZPKJQHSTC-OUKQBFOZSA-N 361.832 5.258 0 40 FKAB CCCC[C@@H](CC)CNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699958 UOKJYKAECCVMTM-RTBURBONSA-N 374.569 5.497 0 40 FKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccco1 5445437 NKUGPLBYLKOASP-UHFFFAOYSA-N 360.463 6.088 0 40 FKAB Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 5459130 CTYAQJOUUZMTCJ-CTNGQTDRSA-N 359.860 5.836 0 40 FKAB Cc1cc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc12 5693200 DEXLGWXFSDWUIL-UHFFFAOYSA-N 351.515 5.421 0 40 FKAB CCCOc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6265025 ICBGBRMFHXTXFS-UHFFFAOYSA-N 360.866 5.299 0 40 FKAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1Cl 6810610 IOOHNWVKCVTWLK-UHFFFAOYSA-N 360.240 5.429 0 40 FKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(C)cc1 6844853 UTPKPJYJYZAMLM-UHFFFAOYSA-N 369.530 5.134 0 40 FKAB COc1cccc(CNC2CCCCCCC2)c1OCc1ccc(F)cc1 7523092 CLEZSUNHNQXXIE-UHFFFAOYSA-N 371.496 5.616 0 40 FKAB CCN(C(=O)CSCc1ccccc1OC)c1cccc2ccccc12 7779701 JCAQGSLDPLIBBJ-UHFFFAOYSA-N 365.498 5.135 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 8040897 HDINCODNCXTKSX-SFHVURJKSA-N 361.441 5.502 0 40 FKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(C(C)C)cc2)S1 8277526 YSDYETXUVDWJRK-WOJGMQOQSA-N 370.905 5.663 0 40 FKAB Cc1ccc(-c2nc(C(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1 12974813 HJYXMCQPXKJPBM-UHFFFAOYSA-N 356.878 5.044 0 40 FKAB CC(C)SC1=NC(C)(C)C=C(/C=C/c2c(Cl)cccc2Cl)N1 13125351 JXIOCQTVUSXBEH-CMDGGOBGSA-N 355.334 5.770 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13632331 VQEZLRURMSSDEM-UHFFFAOYSA-N 352.478 5.221 0 40 FKAB COc1ccccc1[C@H](C)NC(=O)CCCSc1ccc(Cl)cc1 15966949 SAIWPXJNNOIMNT-AWEZNQCLSA-N 363.910 5.098 0 40 FKAB Cc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 16029026 AXICDZRZZXTZNO-UHFFFAOYSA-N 374.465 5.681 0 40 FKAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N(Cc1ccco1)C1CC1 29269987 WTJFDDMWQMPJCM-UHFFFAOYSA-N 357.862 5.466 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2sccc2-c2ccccc2)cc1Cl 32679793 RERJNXBKEATCNY-UHFFFAOYSA-N 363.269 5.556 0 40 FKAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 33596097 JRNRAASUOKIMIN-UHFFFAOYSA-N 373.840 5.313 0 40 FKAB Cc1cc(N(C)C)ccc1NC(=O)c1sc2cc(F)ccc2c1Cl 40111672 CILYKPAJTCBWJX-UHFFFAOYSA-N 362.857 5.321 0 40 FKAB CC(=O)c1cccc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)c1 58307556 KXEWDSZXECCYMM-UHFFFAOYSA-N 350.462 5.079 0 40 FKAB CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 71433348 SVCVWPJHXNKVCO-UHFFFAOYSA-N 370.301 5.264 0 40 FKAB CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215854 LJQCBXMAVDOKPN-IBGZPJMESA-N 367.493 5.312 0 40 FKAB Cc1cccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 216942584 PTQNXXJLYFOCNZ-UHFFFAOYSA-N 351.858 6.092 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 224892991 GNLJCKUMDJKSBN-UHFFFAOYSA-N 368.436 5.878 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccccc1 225502933 CPTTUZIPKIDWPC-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB COc1cc(C)c(C(=O)NCCSCc2cccc(C)c2)cc1C(C)C 225658318 WPJVGNCZWWZVFA-UHFFFAOYSA-N 371.546 5.099 0 40 FKAB Cc1cc(C)n(-c2nc3ccc(Oc4cccc5ccccc45)cc3s2)n1 226306799 WVSVXZKTAVQWTM-UHFFFAOYSA-N 371.465 6.044 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccccc2Br)c1 228971555 MRKVORZIBBHZLI-UHFFFAOYSA-N 363.255 5.226 0 40 FKAB CC(C)CN1C(=O)N(c2ccccc2)[C@@H]2[C@H](c3cccc(F)c3)CC[C@@H]21 257211403 BYTCVNZPUKIRSY-PCCBWWKXSA-N 352.453 5.039 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2c1 408713520 FQCRRIPFCZYYOW-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB Cc1nnc(SCc2cccc3ccccc23)n1-c1ccc(Cl)cc1 409099608 OTMVGKSKFJYDGT-UHFFFAOYSA-N 365.889 5.675 0 40 FKAB CC(C)CCC[C@]1(C)Oc2ccc(CCC(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265766 PMYACWTYQIUKDA-AUUXCDECSA-N 374.521 5.537 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 826432 GLSRZWSWYWWZEV-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB COc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 863002 CZHCEMFCHUJMLO-UHFFFAOYSA-N 352.242 5.469 0 40 FKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)C3CC3)C3CCCCC3)cc2c1 1364822 UENVIFLJIWAIBD-UHFFFAOYSA-N 370.924 5.576 0 40 FKAB CCCc1nc(SCC(=O)c2ccc(C)cc2)c2c(C)c(C)sc2n1 1372187 PSDZHKGCLPMYCP-UHFFFAOYSA-N 370.543 5.544 0 40 FKAB CC(C)Oc1ccc(C=O)c(OC(C)C)c1Cc1c(F)cccc1Cl 2381137 NMNCOBWUQYGALE-UHFFFAOYSA-N 364.844 5.457 0 40 FKAB Cc1ccc(C(C)C)cc1Oc1ncnc2sc(-c3ccccc3)cc12 3376446 NVCZXOSNUPNDIO-UHFFFAOYSA-N 360.482 6.582 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 4123283 NYIBPGOAQPLTRQ-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4562056 HCVTXESBLPDBRY-XANCMCCPSA-N 370.496 5.915 0 40 FKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 4678532 TZGOWKBPIVFYHX-UHFFFAOYSA-N 365.786 5.371 0 40 FKAB CCCCOc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 5024641 YGPXQTLTGQLHKS-UHFFFAOYSA-N 355.507 5.250 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 6348807 YQYZYWGMXCMUJT-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB Cc1ccc(C(=O)c2cnc3cc(Cl)ccc3c2-c2ccccc2)cc1 6501970 KBEBCDSZODUZFW-UHFFFAOYSA-N 357.840 6.095 0 40 FKAB Clc1ccc(Oc2nnc(-c3ccc4c(c3)CCC4)c3ccccc23)cc1 6941661 GVCBRYOOHOPAGN-UHFFFAOYSA-N 372.855 6.231 0 40 FKAB CCCCOc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1 8868428 XAVPCYKKLSPDKQ-UHFFFAOYSA-N 350.418 5.081 0 40 FKAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccc(Cl)cc1 9048978 NDJXEOHRBLXQNV-ZDUSSCGKSA-N 357.240 5.092 0 40 FKAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)c1c[nH]c2ccccc12 14672368 CMRVRRGADIYVRJ-LBPRGKRZSA-N 352.484 5.407 0 40 FKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)cc1 15729443 NFRQWDYELPANRC-UHFFFAOYSA-N 359.381 5.126 0 40 FKAB biogenic COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(Cl)s1 25729667 CRFHOPMUMIQFBS-UHFFFAOYSA-N 372.920 5.108 0 40 FKAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)no1 46897067 MGIPBPFBWGZXLT-OALUTQOASA-N 355.482 5.007 0 40 FKAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217609 FUCNIXMECDAXCJ-FQEVSTJZSA-N 360.482 5.210 0 40 FKAB Brc1cc(-c2ccccc2)cc2nc(-c3ccncc3)oc12 73638685 DHJOWRWEXNIVBW-UHFFFAOYSA-N 351.203 5.319 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)oc2ccccc2c1=O 100220470 PRSOPHSUKXJKIM-CFBAGHHKSA-N 366.501 6.460 0 40 FKAB Fc1ccc(NCc2ccccc2OCc2ccccc2F)cc1Cl 107042864 MYRBELSKHDFXMB-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC4(CC[C@]3(C)[C@H]1CC2)SCCS4 119258389 YNVILHLADMIWHU-RABCQHRBSA-N 350.637 6.596 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219326466 QNMNXTMSCDQOSQ-OAQYLSRUSA-N 373.924 5.370 0 40 FKAB Cc1ccccc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225308919 KQBGHRLYNFSDFO-UHFFFAOYSA-N 358.816 5.154 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(-c3cccc(Br)c3)oc12 226247129 IJVQJYMXQARPKX-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226861962 STUNJVMKMXXZGT-UHFFFAOYSA-N 365.498 5.082 0 40 FKAB CC(C)n1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21 408901942 JFJZTHDBGOJQEJ-XDHOZWIPSA-N 362.454 5.463 0 40 FKAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1ccccc1Cl)c1ccccc1 408926879 WPSKVQOHQIUMCV-ONMUDZGXSA-N 351.877 5.185 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc4ccccc34)o2)cc1Cl 722749 FKCZDHOKJJXTCR-UHFFFAOYSA-N 361.828 6.314 0 40 FKAB Cc1ccccc1-c1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2o1 841563 LALDJNXYBMFKCU-UHFFFAOYSA-N 368.392 5.802 0 40 FKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4C)cc3)nc2c1 1262455 LOONFQXAIZCIAA-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB COc1ccc2c(c1)Sc1c(ccc3ccccc13)N2CCCN(C)C 1608875 HWWVHHSHFWKHQH-UHFFFAOYSA-N 364.514 5.403 0 40 FKAB CCCCCNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 2295680 OWSYUYKDTMVGSK-UHFFFAOYSA-N 370.522 5.001 0 40 FKAB CCc1ccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1 2658916 HLCZEMCZTKPXIH-NSHDSACASA-N 354.302 5.675 0 40 FKAB CCCCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2734340 YHKRFKXOYZUVEL-UHFFFAOYSA-N 355.265 5.267 0 40 FKAB O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccco1 3655407 BVEMLSQFKADVTM-UHFFFAOYSA-N 365.772 5.163 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2nc(C)cc(C)n12 4734220 FRIJAIWLDCKOLU-UHFFFAOYSA-N 372.472 5.333 0 40 FKAB CCCCCC[C@@H]1CCCCN1[C@@H](c1ccccc1)[C@H](O)c1ccccc1 4783042 UPRLEOWAUPIIKX-DSNGMDLFSA-N 365.561 6.286 0 40 FKAB C[C@@H](c1ccccc1)N(C(=O)c1ccccc1Cl)[C@H]1CCOC(C)(C)C1 5488023 WXCZQBUQQLWSLH-WMZOPIPTSA-N 371.908 5.501 0 40 FKAB O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5936934 MMBSYWNWWZRTAQ-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB COc1cc(SC)ccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 5937304 GOCKRZSJZGNTSB-JTQLQIEISA-N 370.301 5.215 0 40 FKAB COc1ccc(-c2nnc(SCC34CC5CC(CC(C5)C3)C4)o2)cc1 6049160 FJXURBGPGJOBAA-UHFFFAOYSA-N 356.491 5.054 0 40 FKAB COc1ccc(CCNCc2c(-c3ccccc3)n(C)c3ccccc23)cc1 6788181 RJHKTRXMAXYCBF-UHFFFAOYSA-N 370.496 5.186 0 40 FKAB c1ccc(NC(NC2CCCCC2)=C(c2ccccc2)c2ccccc2)cc1 6995484 JUXXIHKBAVUBJR-UHFFFAOYSA-N 368.524 6.438 0 40 FKAB Clc1ccc(Cl)c(-c2ccc(CNCc3ccccc3Cl)o2)c1 7524475 BOQGTUVZFODJQS-UHFFFAOYSA-N 366.675 6.197 0 40 FKAB CCCCOc1ccccc1NC(=O)c1sc2ccccc2c1Cl 8905238 MGHOTEDLMAWBHC-UHFFFAOYSA-N 359.878 5.986 0 40 FKAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc1 9935296 DRQNSRLLNJDNBF-HNNXBMFYSA-N 363.848 5.095 0 40 FKAB O=C(CSc1ccccc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120072 WNDVQCZLBDEVTG-UHFFFAOYSA-N 374.465 5.149 0 40 FKAB C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 12507452 URQPKUVDZUZODY-KRWDZBQOSA-N 369.468 5.040 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc3ccccc23)cc(C)c1Cl 14396404 ORABSUYJONPPDX-OAHLLOKOSA-N 353.849 5.516 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 14398663 UVALXJNBTWRYIT-NSHDSACASA-N 372.679 5.670 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2ccc(F)cc2Cl)c1 15492333 BJGFEHBJBZERNC-CYBMUJFWSA-N 351.874 5.356 0 40 FKAB CCOc1ccc(NCc2ccccc2OCCOc2ccccc2)cc1 19737671 VMHLWGMCYFQLKU-UHFFFAOYSA-N 363.457 5.155 0 40 FKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)oc2cc1C 21578516 CCISPNULWUHDLT-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB CC(C)CCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 22186917 RPTCYKUKXSCMIZ-UHFFFAOYSA-N 362.473 5.104 0 40 FKAB Oc1cccc2ccc(/C=C/c3ccccc3OCc3ccccn3)nc12 25175238 JKMAYLFYBAYZMT-ACCUITESSA-N 354.409 5.085 0 40 FKAB CCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 27579825 AYZUPEMHNJSJSX-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)sc2c1 32118917 WXDSMQAIDXPXID-UHFFFAOYSA-N 358.894 5.853 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 32692212 XFBKXKWQTXWYJZ-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CSc2ccc(F)c(Cl)c2)cc1C 32719102 YQFKIAUQAONILF-ZDUSSCGKSA-N 351.874 5.065 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cn2ccnc2)cc1 60642482 DVGCWNPZFNBZKS-UHFFFAOYSA-N 367.408 5.083 0 40 FKAB CC[C@H](C)N(C(=O)CCCC(=O)N([C@@H](C)CC)[C@H](C)CC)[C@H](C)CC 102609065 BKGXIBOYIPJXEY-QGFMHUBQSA-N 354.579 5.008 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@@]21C)C5(F)F 118936487 BRZLCOPFROJRBE-SIWYGTHWSA-N 366.492 5.452 0 40 FKAB O=C(CSC1CCCC1)N1CCS[C@H](c2ccccc2Cl)CC1 206990434 JAYAUURGWSXVPY-KRWDZBQOSA-N 369.983 5.022 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 224852546 JHLUKQKKWNZOAH-GOSISDBHSA-N 359.469 5.319 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cl)cc3F)ccc21 225298873 VCTXPQPBUZEHJX-UHFFFAOYSA-N 366.823 5.859 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C 225532683 CVCAGLGLGHXRTQ-UHFFFAOYSA-N 367.489 5.161 0 40 FKAB Fc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225609555 WXNKLCJCNZHBLW-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1C 225756228 KOQFQNNYBWGAQK-MRXNPFEDSA-N 363.324 5.195 0 40 FKAB CC(C)c1ccccc1NCc1ccc(-c2ccc(Br)cc2)o1 226240075 PCWLZBGVUCFESR-UHFFFAOYSA-N 370.290 6.445 0 40 FKAB Clc1ccc(Br)cc1-c1nc2cc(-n3cccc3)ccc2o1 226247998 VZESQTWGBHBKBX-UHFFFAOYSA-N 373.637 5.701 0 40 FKAB O=C1c2ccccc2CN1c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 226287248 OIMFHSAYAZOUGU-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1C(=O)OC1CCCCC1 226357880 UHBCARYEJIYUCH-UHFFFAOYSA-N 362.425 5.258 0 40 FKAB CCc1ccc(CNC(=S)c2ccccc2OCc2ccccc2)cc1 408576111 PTGCICDPHQQOAL-UHFFFAOYSA-N 361.510 5.293 0 40 FKAB CCOc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1O 408606206 HOYMIGZTUGCYIT-UHFFFAOYSA-N 370.674 5.127 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1cc2c(ccc3ccccc32)o1 408616293 FWSNGPZHRVHWBY-UHFFFAOYSA-N 355.315 5.857 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cccc(C)c1 1339958 XMCAUMQXJZCNMA-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB CCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2297580 WGUZCVHPKDBVKZ-UHFFFAOYSA-N 357.548 5.744 0 40 FKAB Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl 2521557 VQQKIXKPMJTUMP-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic CCOc1ccccc1Nc1nnc(SCc2cc(C)ccc2C)s1 3364521 YKOHPXDBGVUQBY-UHFFFAOYSA-N 371.531 5.590 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1ccccc1O)c1c(C)[nH]c2ccccc12 4039504 VBTWTVDZRIFURI-UHFFFAOYSA-N 366.464 6.152 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 7294759 AJPFUCAGMUOFNT-AWEZNQCLSA-N 371.502 5.043 0 40 FKAB C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 12507450 URQPKUVDZUZODY-QGZVFWFLSA-N 369.468 5.040 0 40 FKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)Cc2ccccc2-3)cc1 12970706 XWFRWYAVQQUOIZ-UHFFFAOYSA-N 367.517 6.722 0 40 FKAB CCc1ccc([C@H](NC(=O)Nc2ccccc2OC)c2cccs2)cc1 13000460 RIXNMFKCMSNWML-FQEVSTJZSA-N 366.486 5.230 0 40 FKAB C[C@@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1Cl 13022242 XGNDEGFLVIXVAU-SNVBAGLBSA-N 366.223 5.033 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(C)c1 14651631 QEIZYVXQRYHZHX-UHFFFAOYSA-N 362.267 5.107 0 40 FKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 16477061 ZEFJKENQLIBXKK-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SC(C)C)ncnc32)c1 16757718 KYSWVTGUSQMBTP-UHFFFAOYSA-N 359.498 5.896 0 40 FKAB c1ccc(-c2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)cc1 18126427 CZHYLMKIOAJQEM-UHFFFAOYSA-N 363.424 5.226 0 40 FKAB CC(C)Oc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1 19450704 ZTFIFVCIXCKXJJ-SFHVURJKSA-N 358.532 5.065 0 40 FKAB COC1CCC([C@@H](C)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CC1 27666497 VXABSJFGYZTECR-CJHIUOCISA-N 373.581 5.087 0 40 FKAB CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27744679 WBQOKMMEZDVCRV-GOSISDBHSA-N 368.908 5.506 0 40 FKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c2ccccc2)cc1 30849579 PUSDPHBAZOCRFI-YKSBVNFPSA-N 373.496 5.285 0 40 FKAB Cc1cccc(CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 45925344 KZVLXQANXZKSOK-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 63451554 DAJKQEUVPWOOHJ-UHFFFAOYSA-N 356.469 5.118 0 40 FKAB C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3C[C@@H](Cc4ccccc4)CC[C@]3(C)[C@@H]1CC2 68602114 UYEUVWXDRDBSDY-MQETYOJXSA-N 350.590 7.278 0 40 FKAB CC[C@H](C)Sc1ccc(NC(=O)c2ocnc2C)c(C(F)(F)F)c1 72311024 AXTWPJUJDYPWQI-VIFPVBQESA-N 358.385 5.145 0 40 FKAB CCN(CC)c1ccc(-n2c(-c3ccc(C)cc3)nc3ccccc32)cc1 73739983 ZGSKATIELMXJAM-UHFFFAOYSA-N 355.485 5.847 0 40 FKAB CCN(C(=O)Nc1ccc2nc(C)oc2c1)[C@@H](C)c1cc2ccccc2o1 89960779 BXFCLYSPBRBQGC-ZDUSSCGKSA-N 363.417 5.497 0 40 FKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1F 107042310 BIAVMJLMLPKNPY-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1 225372481 SVGNNKYIUJRWPI-UHFFFAOYSA-N 370.279 6.232 0 40 FKAB Fc1ccc(C2=N[C@@H](c3ccccc3)c3ccccc3-n3cccc32)cc1 225374078 UQZNVPARBFYLNX-QHCPKHFHSA-N 352.412 5.557 0 40 FKAB O=C(NCCSc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 225748365 WXKLYKQTULPGSJ-UHFFFAOYSA-N 359.922 5.060 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC 409369152 FMHCLNVYIQHVEK-UHFFFAOYSA-N 373.758 5.018 0 40 FKAB CCN(Cc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 585090198 KCVAPUMYJYRWTI-UHFFFAOYSA-N 359.094 5.782 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CCCCC3)c2c1 991102 CRRCBUHMOYOXMH-UHFFFAOYSA-N 364.876 5.490 0 40 FKAB CCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 2087838 XXBFMEGGIIIOTP-UHFFFAOYSA-N 363.505 5.211 0 40 FKAB CSc1ccccc1CCC(=O)c1ccc(Br)cc1F 2516627 YOMIMDAVNCGIQF-UHFFFAOYSA-N 353.256 5.126 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC)c2ccccc12 3214181 QDIRCSPPDHTITL-UHFFFAOYSA-N 357.409 5.263 0 40 FKAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc(C(C)(C)C)cc1 3249585 KCIZJZMPDKEYJR-UKTHLTGXSA-N 354.446 5.060 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1c(Cl)cccc1Cl 3343768 UDBGFSRJFYKMOJ-UHFFFAOYSA-N 366.288 5.481 0 40 FKAB O=C(OCc1nc2ccccc2s1)c1ccc(Cc2ccccc2)cc1 4075744 ZCIDOVWHHWIBJR-UHFFFAOYSA-N 359.450 5.244 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4726331 WDCJNWGWSPGXBU-XWJVLSSFSA-N 360.538 5.310 0 40 FKAB FC(F)(F)c1cc(-c2cccs2)nc(NCc2ccc(Cl)cc2)n1 4757805 VLWPAOQRLQJYMH-UHFFFAOYSA-N 369.799 5.489 0 40 FKAB CC[C@H](c1ccc2c(c1)C[C@@H](C)O2)[C@@H](CC)c1ccc2c(c1)C[C@H](C)O2 4806229 LHXPONQGAROOEF-NLZGTENKSA-N 350.502 6.021 0 40 FKAB Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(F)c3)c12 4969944 ABYLCEAYTQAAOH-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1NC(=O)[C@@H](CC)CCCC 6043049 QAMZKPKUBRNWOQ-OALUTQOASA-N 374.569 6.305 0 40 FKAB c1ccc(Sc2nc(-c3ccccc3)oc2Sc2ccccc2)cc1 6242856 DIFPWCPFEJKVKK-UHFFFAOYSA-N 361.491 6.644 0 40 FKAB COc1ccc(OC)c(NC(=O)c2sc3cc(C)ccc3c2Cl)c1 6279394 SGDVRROPYQUUSJ-UHFFFAOYSA-N 361.850 5.133 0 40 FKAB CC(C)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 6372372 WQCGLOVIIYAHGB-UHFFFAOYSA-N 368.329 5.989 0 40 FKAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 6870029 MCDXFMKNQYSONB-UHFFFAOYSA-N 362.864 5.481 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(CN(CC)CC)cc2)cc1 7072963 DLDVYLKMSSMTRA-GOSISDBHSA-N 368.521 5.059 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 12462834 PDYASRQCSWRHDB-KSZLIROESA-N 362.473 5.012 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 14242769 HWTLIMCANSRHRC-MRXNPFEDSA-N 371.908 5.777 0 40 FKAB CC(C)COc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 15669856 BRCHEIPANYSCOB-UHFFFAOYSA-N 366.486 5.025 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20049008 ABWHCDNTBIIDHL-OAHLLOKOSA-N 371.786 5.463 0 40 FKAB O=C(c1ccccc1F)N(Cc1cccc2ccccc12)c1ccccn1 27662929 YMXBJHSPELSUCX-UHFFFAOYSA-N 356.400 5.221 0 40 FKAB C[C@@H](SC(F)(F)F)C(=O)Nc1nc(-c2ccccc2Cl)cs1 33149834 GQBGRJYLHMSURH-SSDOTTSWSA-N 366.817 5.044 0 40 FKAB O=C(c1cc2sc3ccccc3c2s1)N(CC(F)(F)F)C1CC1 71824334 QWHAZOQJBAJQLX-UHFFFAOYSA-N 355.406 5.283 0 40 FKAB CC1CCN(c2ccc(N[C@H](C)c3nc(-c4cccs4)no3)cc2)CC1 84699975 OISRMBQTOIQUIE-OAHLLOKOSA-N 368.506 5.208 0 40 FKAB CC1(C)CCC(C)(C)[C@H]2CC3C[C@@H]4[C@@H](CC3C[C@@H]21)C(C)(C)CCC4(C)C 104084127 CCCFMUYCLQXOGW-CLGXJXAXSA-N 358.654 7.964 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(C(C)C)cc1 219617651 ULFUFPWXSMMYSC-NRFANRHFSA-N 373.924 5.370 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(F)(F)F 223011694 JSBRDOIVVAUPLC-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB O=C(NCCSC1CCCC1)c1ccc(CSc2ccccc2)cc1 225445367 BDTQQKYXLAVEAR-UHFFFAOYSA-N 371.571 5.385 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225622117 IBOHHODJOPKFKU-QFIPXVFZSA-N 355.478 5.190 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225697684 GOXSZONODZYJAW-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 250576596 PANYVYRJTHKGSX-FIOBRGGZSA-N 361.485 5.805 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 408681186 PVPOEDSNXSJWGM-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB CCCCOc1ccc(NCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 408723860 WILAIMAFVXDPBK-UHFFFAOYSA-N 371.480 5.732 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1Cl 409113505 GMTZYMBJFVGWFJ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1 409409095 MZZNSWBUYMCHHA-UHFFFAOYSA-N 355.547 5.698 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2ccc(Cl)cc2)o1 666604 LFHWLSWJMVJJRS-UHFFFAOYSA-N 373.839 6.104 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1)c1cccs1 959106 CEOAQPSHGLPFSH-UHFFFAOYSA-N 363.360 5.812 0 40 FKAB Clc1ccccc1-c1nnc(SCCCCOc2ccccc2)o1 2065129 FMWIEGFUFKHBTK-UHFFFAOYSA-N 360.866 5.341 0 40 FKAB Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1 2206915 DAWKNKBNMAIEHV-UHFFFAOYSA-N 368.908 6.239 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1 2272715 KZDLZTDZYLSWIZ-UHFFFAOYSA-N 361.366 6.500 0 40 FKAB O=C(CCc1cccc(Br)c1)c1cccc(Br)c1 2516707 PQJZYSCKOJMEON-UHFFFAOYSA-N 368.068 5.027 0 40 FKAB Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 2521565 QXZHEJWDLVUFFB-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro Clc1ccc(-c2cn3cc(Cc4ccccc4Cl)sc3n2)cc1 3399263 MCYCKRUUKUAXDL-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB Cc1ccc(Sc2ncccc2C(=O)NC2CCCCCC2)cc1C 3425103 RYXVDJDEFZLQGM-UHFFFAOYSA-N 354.519 5.302 0 40 FKAB ClC1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccccc21 4522514 JBPFALZKOAFZFW-UHFFFAOYSA-N 367.879 7.001 0 40 FKAB Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1Cl 6033905 NQBOMNXPTNFCED-UHFFFAOYSA-N 366.873 6.483 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)CC(C)C)c3)nc2c1 6440206 BKSPLOWXAORGEY-OAHLLOKOSA-N 350.462 5.993 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1sc(-c2ccccc2)nc1C 8060604 UQEZOKJIYMIETH-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB COc1ccc(/C=C/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8116282 BLSOQMUSRHEFNZ-VXTNGOHYSA-N 371.845 5.146 0 40 FKAB CCc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 10040234 GMLXQFNBMIMQBA-UHFFFAOYSA-N 361.441 5.089 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1cccs1 12338290 HIXPGZXJNWENNS-UHFFFAOYSA-N 360.438 5.246 0 40 FKAB Cc1nn(Cc2c(Cl)cccc2Cl)c2c1C=Nc1ccccc1O2 12699754 YEDOPOMTAOVPNP-UHFFFAOYSA-N 358.228 5.403 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)N1c2ccccc2Sc2ccccc21 13717124 LISNQHLONZZODP-UHFFFAOYSA-N 366.873 6.483 0 40 FKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 20274548 VTLMBYRNRUKBJS-UHFFFAOYSA-N 373.408 5.369 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 20482828 RCMRKIGQTXXUNB-DNVCBOLYSA-N 361.938 5.705 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(C)ccc1C 22510884 ATVRCTXPEAKBHI-JPYJTQIMSA-N 361.485 5.491 0 40 FKAB O=c1ccc2ccc(Oc3nc(-c4ccsc4)nc4ccccc34)cc2o1 22801600 MSYCVGHNBZWVLT-UHFFFAOYSA-N 372.405 5.257 0 40 FKAB Cc1ccccc1N1C(=O)/C(=C/c2sccc2C)c2ccccc2C1=O 33039488 TZSRQGUXIGELHM-QGOAFFKASA-N 359.450 5.093 0 40 FKAB COc1ccc2oc(C)c(C(=O)Nc3cc(Cl)ccc3Cl)c2c1 41156457 PSFUGDQNJLAYPA-UHFFFAOYSA-N 350.201 5.309 0 40 FKAB c1ccc(CN2CCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217231 GYKNAWZMBOWBGV-NRFANRHFSA-N 352.547 5.844 0 40 FKAB CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 108371095 DVFGELBPMWYQMT-SJLPKXTDSA-N 361.530 5.169 0 40 FKAB CC(C)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 218960146 ORIMMZWUGVLDAM-UHFFFAOYSA-N 359.469 5.095 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 223384897 XGCGJNKMKZZDTM-MDWZMJQESA-N 370.496 5.622 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)Oc1ccccc1Cl 225138509 OBMWJYBGOPSTBZ-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 226282793 GDPOGIVBIYCIPL-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB Cc1cccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 409121870 YQYLDHWIYTUPIA-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)c(Cl)c1 409190700 VICAMQILBLSANG-JEBQAFNWSA-N 368.691 6.281 0 40 FKAB COc1ccc(-c2nc(-c3oc4ccc(F)cc4c3C)cs2)cc1OC 1775964755 BLYVGVMIBMRTHS-UHFFFAOYSA-N 369.417 5.688 0 40 FKAB CCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 932763 NJXGTPILXMUYHV-UHFFFAOYSA-N 360.841 5.269 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccc(Cl)cc1 1393141 OGEDZOYNPNTMMI-UHFFFAOYSA-N 366.578 5.257 0 40 FKAB CCCCOc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1814959 QTGGCZOGJHVTRD-UHFFFAOYSA-N 369.534 5.496 0 40 FKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1937280 PEINPTPEEWGVPA-WUXMJOGZSA-N 363.288 5.492 0 40 FKAB Cc1cc(C)cc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)c1 2182930 RDERXMDYNYTFCF-UHFFFAOYSA-N 374.391 5.155 0 40 FKAB Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl 2569358 HAZQOLYHFUUJJN-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic O=C(c1c2oc(-c3ccc(Cl)cc3)ccc-2c2ccccc12)C(F)(F)F 2578035 AHRDLIYQMSFHHC-UHFFFAOYSA-N 374.745 6.603 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccc(C(C)C)cc1 2708572 SAHMYPGRBPCDTB-OAQYLSRUSA-N 361.514 6.258 0 40 FKAB CC(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 3051007 CENPHFNZOVKJLO-UHFFFAOYSA-N 350.281 5.195 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3224732 GEYDDOZFZHDFAZ-INIZCTEOSA-N 369.534 5.342 0 40 FKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cc2ccccc2)cc1 4072271 JDWHPGRFOIFVMN-UHFFFAOYSA-N 371.465 5.048 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccc(Cl)cc2)(c2ccccc2)CCO1 4872079 ADNCXHJRTIMDFL-DHIUTWEWSA-N 371.952 5.737 0 40 FKAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c1 5256073 SFNTUPHAGIRUKW-HXUWFJFHSA-N 365.864 5.087 0 40 FKAB CC[C@]1(C)C[C@@](CCN[C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 5477812 FRRPVDBEADNXFW-WMQCIHAUSA-N 351.962 6.002 0 40 FKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccs1 5681558 QTNDRQJNZGBAGF-UHFFFAOYSA-N 373.543 5.017 0 40 FKAB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 5770230 BLURRNWCHOUOGR-XFFZJAGNSA-N 351.620 5.192 0 40 FKAB O=C(CSc1cccc2cccnc12)n1c2ccccc2c2ccccc21 6345178 IAXOMSBNAWROSY-UHFFFAOYSA-N 368.461 5.775 0 40 FKAB c1csc(-c2cc(CN3CCC[C@@H]3c3nc4ccccc4s3)no2)c1 7359856 DAUNTDLYHKTTKN-OAHLLOKOSA-N 367.499 5.350 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc4cccnc34)ccc2c1 12567611 KYXQPVIFHYOOJK-OAHLLOKOSA-N 356.425 5.139 0 40 FKAB c1ccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4s3)C2)cc1 12981403 SQVNQWAAMHGWDT-UHFFFAOYSA-N 367.477 5.562 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2)nc2ccc(Cl)cc12 15829206 JGXSWCGMJBJUGX-UHFFFAOYSA-N 361.228 5.193 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 20759802 PXLVDKAILBVGHP-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)o1 28240837 FNCBCUJZRLPNCG-UHFFFAOYSA-N 372.424 5.395 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2c1 35671462 VOUQRBNKHCKPEV-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 71844345 FJJMINORVUDZFY-GHTZIAJQSA-N 357.444 5.082 0 40 FKAB CCCCn1cc(C(=O)Cc2cccc3ccccc23)c2cccc(OC)c21 96905998 AEKYOIGTEGFYSI-UHFFFAOYSA-N 371.480 6.029 0 40 FKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1Cl 214095822 QXAREJHWQSQRMN-CGVLLOTDSA-N 355.846 5.133 0 40 FKAB Cc1ccc2oc(-c3cc(N)cc(-c4nc5cc(C)ccc5o4)c3)nc2c1 216880496 OVIAQKWMNIRWCH-UHFFFAOYSA-N 355.397 5.502 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)c1 222066441 DRSPVCXBVVVLIJ-FBAPQVDSSA-N 356.506 5.659 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(C)cc1C 222559123 ULSLYVFKYYLRNE-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 222817329 MQNHVMOTSNPVIW-UHFFFAOYSA-N 363.423 5.252 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1OC 223330922 USODYAVECCHWAZ-UZLBHIALSA-N 369.505 5.028 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224118419 VLIYHYIWBOXSRG-OAHLLOKOSA-N 355.503 5.083 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCC(C)C 225517785 TXEKQOJCKZZSPD-UHFFFAOYSA-N 369.480 5.619 0 40 FKAB Cc1cc(C)c(NC(=O)c2snnc2-c2ccc(Cl)cc2)c(C)c1 225771831 PRRUCHURGUUVKP-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225844272 YSAVUTSFBJSIPP-GAJHUEQPSA-N 371.521 5.941 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 226337674 YTJRWGDGOJBHAE-WYMLVPIESA-N 362.425 5.004 0 40 FKAB O=C(c1cccc(F)c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363082 CFBIZTBJTZZJDR-UHFFFAOYSA-N 355.821 5.922 0 40 FKAB CC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 253532253 OXWZCBBGEYDJCU-DSAHMVKASA-N 356.550 5.894 0 40 FKAB biogenic,in-vitro COc1ccccc1Nc1nc(-c2ccc(Br)cc2)cs1 830905 CRNQRYRORJEWOA-UHFFFAOYSA-N 361.264 5.325 0 40 FKAB CCCc1nc2sc3c(SC(C)C)ncnc3c2c2c1CCCC2 1297104 UGKTZGXYYDHEGC-UHFFFAOYSA-N 357.548 5.571 0 40 FKAB Cc1cccc(Sc2ncnc3c2c(C)c(C)n3Cc2ccccc2)c1 1383152 VXLTZNSAHXBHQW-UHFFFAOYSA-N 359.498 5.556 0 40 FKAB CC(C)Oc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12 1828187 HHSCQALDELHQOB-UHFFFAOYSA-N 372.424 5.582 0 40 FKAB Cc1ccc([C@H]2Oc3ccccc3-c3c(C)c(-c4ccccc4)n(C)c32)cc1 2158480 CNISJDWLEXNFLS-AREMUKBSSA-N 365.476 6.458 0 40 FKAB CCc1ccccc1NC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1 2176621 SUUSVQNWJYSQNS-HSZRJFAPSA-N 369.508 5.811 0 40 FKAB Cc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1C 3067868 XCTYNKDDZJXWLZ-QFIPXVFZSA-N 363.888 6.383 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccco2)nc2ccccc12 3269878 XTDRXKJDUUFBCD-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB Cc1ccc(NC(=O)[C@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1 3440669 GKCYSKLBXNEFMU-BJKOFHAPSA-N 370.496 5.342 0 40 FKAB C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4694581 MARKNSVDHIUVIE-DMNDBZKBSA-N 355.566 5.314 0 40 FKAB O=C(NC1=NC2=C(CCCC2)C2(CCCCC2)S1)c1ccc(F)cc1 5447851 BPJYOJGWQCKJAI-UHFFFAOYSA-N 358.482 5.189 0 40 FKAB CCN(CC)c1ccc(N[C@@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1 5479662 ARVBGCIWRJWUQE-DQEYMECFSA-N 374.528 5.810 0 40 FKAB CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C(C)(C)CC)C3 6482233 SJBVCJOSIQIGQV-LLVKDONJSA-N 350.553 5.072 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1 6590075 RMSRNNIVFLVVCY-SJORKVTESA-N 350.487 5.517 0 40 FKAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)s1 7996310 OQOBBGVXXHBVLP-UHFFFAOYSA-N 363.895 5.098 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 10433925 WAWZRBQLLORBAV-UHFFFAOYSA-N 371.480 5.776 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11327522 XMBWYFMQCZEWMV-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB CCCCOc1ccccc1C(=O)Nc1cc(-c2ccc(C)cc2)no1 11913875 QROTXUGODKRKDB-UHFFFAOYSA-N 350.418 5.081 0 40 FKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 12193784 QMZBKBSVBVMWLO-VWNXMTODSA-N 370.452 5.246 0 40 FKAB Cc1ccsc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 12567628 NEYFBSGWCQWGFK-HVHJFMEUSA-N 354.500 5.043 0 40 FKAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1csc(-c2ccco2)n1 12793544 UFDUKVMQERRMEU-UHFFFAOYSA-N 353.274 5.342 0 40 FKAB CCOc1cccc2c1Oc1nc(-c3ccccc3F)[nH]c(=S)c1C2 20861663 HSIRCUKGSVBIRG-UHFFFAOYSA-N 354.406 5.040 0 40 FKAB O=C(c1ccncc1)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 30468565 SZDBGAIQKGXKJH-UHFFFAOYSA-N 368.889 5.268 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 30860714 AKJLRUUQPNXQKK-MGPUTAFESA-N 373.924 5.672 0 40 FKAB Cc1cc(NC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)no1 32841227 RCSZCXKXNHQIOT-GOSISDBHSA-N 355.463 5.079 0 40 FKAB CCOc1cc(NC(=S)Nc2cccc(C)c2C)ccc1OC(F)F 36611118 OGJIOISDZHWUFS-UHFFFAOYSA-N 366.433 5.112 0 40 FKAB C[C@H](Nc1ccc(NC(=O)c2cccnc2)cc1Cl)c1ccccc1 48355571 IOBDNHPKEWIYNH-AWEZNQCLSA-N 351.837 5.160 0 40 FKAB COc1ccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)cc1 67192487 WGKWVKPTHRHFRL-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB COc1ccccc1[C@@H]1Nc2ccccc2[C@@H](c2ccc(Cl)cc2)O1 72314744 MZNGQDAXXCMZSN-NHCUHLMSSA-N 351.833 5.579 0 40 FKAB CCc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 73639126 PXBXAZLORGTNQP-UHFFFAOYSA-N 352.231 5.973 0 40 FKAB CCCCOc1ccc(NC(=O)N(CCc2cccs2)C2CC2)cc1 75154840 OTYQVVYODZXLID-UHFFFAOYSA-N 358.507 5.166 0 40 FKAB Clc1cccc(CNC2CCC(NCc3cccc(Cl)c3)CC2)c1 79438609 LLOHHUTUYLQXSO-UHFFFAOYSA-N 363.332 5.184 0 40 FKAB Cc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 101248902 RXTOHJPXYMTCMS-QHCPKHFHSA-N 364.452 5.310 0 40 FKAB Cc1noc2c1[C@H](c1ccccc1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102728800 VSCGXVOWILAMNW-IERDGZPVSA-N 372.424 5.296 0 40 FKAB CC1CCN(C(=S)c2ccc(OCc3ccccc3Cl)cc2)CC1 107926261 CFFQOEXRJNIIFH-UHFFFAOYSA-N 359.922 5.326 0 40 FKAB C[Si](C)(C)c1c(C(F)(F)F)cc(Br)c(Cl)c1Cl 195974118 NKZURSHQIXYPLN-UHFFFAOYSA-N 366.080 5.320 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222978365 ZKBPSCMKIKWNAW-BTYIYWSLSA-N 371.908 5.254 0 40 FKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(F)cc1 408561568 JTUIZVQLFRDWPH-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB CCCn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 409103228 FZBHQCCXDJNKSE-UHFFFAOYSA-N 357.910 5.225 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)c1ccccc1 670439 UWSDEIIZLCZWDH-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1 860663 XBMULXNXJLWLLD-UHFFFAOYSA-N 362.454 5.489 0 40 FKAB in-vivo CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc2ccccc12 939525 RJONRQGLFMTOAR-UHFFFAOYSA-N 356.425 5.617 0 40 FKAB CCOC(=O)c1c(CSc2ccc(CC)cc2)oc2ccc(O)cc12 2361947 NVDYFXHXZSEPOA-UHFFFAOYSA-N 356.443 5.170 0 40 FKAB C[C@@H]1CCCCN1c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2886711 MAMRHGAYYMZYIA-CYBMUJFWSA-N 372.299 5.982 0 40 FKAB O=C1O[C@](Oc2ccc(Cl)cc2Cl)(c2ccccc2)c2ccccc21 2893096 LALFUOOYRZJLJF-HXUWFJFHSA-N 371.219 5.444 0 40 FKAB Cc1ccc(NC(=O)[C@@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1 3440677 GKCYSKLBXNEFMU-RPWUZVMVSA-N 370.496 5.342 0 40 FKAB Cc1ccc([C@@H]2CN(c3ccccc3)C[C@@H]2C(=O)c2ccc(F)cc2)cc1 4053071 QZYGLNHINUUFHC-GOTSBHOMSA-N 359.444 5.237 0 40 FKAB Cc1cc2cc(CNC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2[nH]1 4138108 JBPKHPHPTOKJMA-UHFFFAOYSA-N 354.453 5.002 0 40 FKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)cc1 5035536 QQENOFZFOVMYAG-UHFFFAOYSA-N 362.429 5.122 0 40 FKAB Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 5066207 QBWZLVUAPWWWBE-UHFFFAOYSA-N 364.452 5.312 0 40 FKAB Clc1ccccc1[C@H]1C[C@H](c2ccccc2)n2c(nc3ccccc32)N1 5461689 HSXOJTIRUURAJV-TZIWHRDSSA-N 359.860 5.836 0 40 FKAB Clc1ccc(-c2nc3cc(NCc4c[nH]c5ccccc45)ccc3o2)cc1 5741235 ABBYBWOVXWCQOH-UHFFFAOYSA-N 373.843 6.242 0 40 FKAB COC(=O)c1ccc(/C=C(\Cl)c2ncc(-c3ccc(Cl)cc3)o2)cc1 6874994 KCIJSWSNYGEIAZ-YBEGLDIGSA-N 374.223 5.519 0 40 FKAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12989149 GKGHLGMLTMBMIO-AWEZNQCLSA-N 352.409 5.066 0 40 FKAB CC(C)Oc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 13688397 ONBHTYSKDRVQAC-UHFFFAOYSA-N 359.469 5.511 0 40 FKAB Clc1ccc2c(c1)C[C@@H](NCCc1ccccc1)c1ccccc1S2 19802501 FYIRJNNYCMVAJY-HXUWFJFHSA-N 365.929 5.921 0 40 FKAB Fc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 22076834 CNLWAFUXFBKGOD-UHFFFAOYSA-N 364.247 5.725 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](Oc2ccc(F)cc2F)c2ccccc2)c1 24833906 GKQIFCKOZCKENR-NRFANRHFSA-N 367.395 5.340 0 40 FKAB COc1ccc(C2=N[C@@H](c3ccccc3Cl)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504082 MVWBXWFFHHOXPU-UTTOWIBESA-N 374.871 5.276 0 40 FKAB CC1(C)C[C@@H]([C@H](CCNCc2ccccn2)c2ccccc2Cl)CCO1 27666685 SIGNMPDIEJTHOU-HKUYNNGSSA-N 372.940 5.204 0 40 FKAB Clc1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716560 PTSGIYDZVYWRDZ-DNQXCXABSA-N 371.867 6.263 0 40 FKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4N4CCCC4)cc3c2C1 32678837 NXOATLSADCPMCP-MRXNPFEDSA-N 373.500 5.145 0 40 FKAB CCN(C(=O)c1ccc2ccccc2n1)c1nc2cc(Cl)ccc2s1 32970841 LJCIOGJMHRCSIY-UHFFFAOYSA-N 367.861 5.165 0 40 FKAB COc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br 35018444 FDZAYOYALBTYQP-UHFFFAOYSA-N 361.066 5.377 0 40 FKAB O=C(O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl 41127455 VBARRSJKXLFOEI-UHFFFAOYSA-N 363.800 5.442 0 40 FKAB Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccc(Cl)cc3)c2c1 49002995 IHJPABJAIDTJHK-UHFFFAOYSA-N 365.864 5.176 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 59289534 VUFFDSHKRXONPP-VMPITWQZSA-N 371.061 5.408 0 40 FKAB Cc1cc(N)cc2nc(-c3cccc4c(Br)cccc34)oc12 70461473 LJGMSYGDFQDOGU-UHFFFAOYSA-N 353.219 5.301 0 40 FKAB C[C@@H]1CC=C(C[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN23)C1(C)C 72332673 RKNFSNLCHNXQDD-UWSIMGETSA-N 372.512 5.939 0 40 FKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C)c(C)c1 218979455 PATGTARWZOCSIK-XMMPIXPASA-N 373.496 5.764 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 222979924 ZNFMOEMILNVFKS-CQSZACIVSA-N 359.897 5.527 0 40 FKAB CCSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 223173359 QPWRBXQQTMSIOE-UHFFFAOYSA-N 369.914 5.463 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 224139349 CYBMFRFUGMUXBO-FQEVSTJZSA-N 353.824 5.307 0 40 FKAB COCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC 224397530 NOPUEZFQOHKCLB-UHFFFAOYSA-N 374.651 5.054 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 224898757 CLFWCRXMTVFNNJ-OQKWZONESA-N 358.441 5.059 0 40 FKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccccc1 225132926 WTWGXMOTHFHTHI-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccccc1 225504943 JZJYCKIYSJTNAH-HXUWFJFHSA-N 368.452 5.349 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225665468 IJRROPUHENNOKO-CDMIOBSGSA-N 361.526 5.486 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(C)C)cc2)C(C)C)c(C)c1 225763227 ISXOFMPYFREOFS-NRFANRHFSA-N 354.563 6.111 0 40 FKAB CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409118281 OSPXBZOVVGPRLY-UHFFFAOYSA-N 353.849 6.143 0 40 FKAB CCCOc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C 409121837 WWZGVZDKNLZVBA-UHFFFAOYSA-N 358.696 6.356 0 40 FKAB CCCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1 584905946 BQUOKEKSWAUABQ-UHFFFAOYSA-N 363.313 6.166 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)NC2CCCCCCC2)cc1 659469 CZMFOCUGLMSLOK-UHFFFAOYSA-N 367.489 5.117 0 40 FKAB CC(C)CCSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 2278536 CTIOTMUGVSYBLO-GFCCVEGCSA-N 363.596 5.563 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(Br)c1 3428127 HXEOZDZAHVKKOO-UHFFFAOYSA-N 352.231 5.368 0 40 FKAB CCCCCC1CCC(c2ccc(-c3ccc(CCC)cn3)cc2F)CC1 3899391 KWJKUVNFDIMEQM-UHFFFAOYSA-N 367.552 7.694 0 40 FKAB CCCC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341971 IYCPERYWVYJEJE-UHFFFAOYSA-N 356.809 5.077 0 40 FKAB C[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)c(F)c1 4667793 VISVTDOOAKCNHK-AWEZNQCLSA-N 353.824 5.888 0 40 FKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccc(Cl)c(Cl)c1 4678703 WKPJXIHVVITFKH-UHFFFAOYSA-N 366.679 5.659 0 40 FKAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 4854531 KQHPHCQQIRHKLU-FQEVSTJZSA-N 365.864 5.087 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 5643016 IFKSEWRZNKXABJ-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 5840262 SSEKCLZMJJJJBR-UHFFFAOYSA-N 372.468 5.489 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F 5900927 AYJBPRCZZHBKNZ-UHFFFAOYSA-N 368.795 5.354 0 40 FKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 6416688 XWYKKUSKMPDNRS-VXJOIVPMSA-N 367.301 5.609 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H](NC1CCCCCC1)c1ccccc1 7848699 QHGVJXUTGSXXCI-QFIPXVFZSA-N 366.505 5.078 0 40 FKAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 9053650 SNCKXMUZCBSIJY-SECBINFHSA-N 357.788 5.255 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 9355400 HOWROHWPHLZPLD-HSZRJFAPSA-N 352.437 5.222 0 40 FKAB CC[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13408678 ORZBNFZTRWEXII-ONCXAFAASA-N 360.538 5.310 0 40 FKAB S=C(NCc1cccnc1)Nc1cc(Cl)ccc1Oc1ccccc1 17075828 OIXIKAIEQOWXNB-UHFFFAOYSA-N 369.877 5.014 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 20049624 UCAMTVWENPZTGJ-QUCCMNQESA-N 364.533 5.026 0 40 FKAB CC(C)(C)c1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1 27990115 BBZHZPPCPLMTHS-UHFFFAOYSA-N 359.473 5.618 0 40 FKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@H]1c1ccccc1 32883791 NKTRXUXQNROYHV-INIZCTEOSA-N 370.518 5.018 0 40 FKAB O=C(Nc1ccccc1Cl)N(Cc1ccsc1)Cc1ccccn1 44446203 DVMGRXWTJZJEGE-UHFFFAOYSA-N 357.866 5.031 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C 78579290 BAAXLUITHCXPEW-CQSZACIVSA-N 365.901 5.207 0 40 FKAB CC(=O)c1ccc(OCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1F 84853381 AQHWPNHWLKFKCE-UHFFFAOYSA-N 359.784 5.224 0 40 FKAB CC1(C)CC(O)=C[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 103424760 SCHHRCFWQAPNPZ-UWJYYQICSA-N 366.486 5.250 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC2CCCC2)cc1 219365921 KFIHXMUTHUAEQK-OAQYLSRUSA-N 367.489 5.421 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 223466218 UBFQGVPJCRVDKG-ZDUSSCGKSA-N 365.901 5.152 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1C 224430978 KUWQVTNHTKXIPS-INIZCTEOSA-N 359.425 5.609 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 224785812 KAUGTRPWAIFECG-QFIPXVFZSA-N 365.517 5.486 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)c2ccccc2O1 225400358 ZZDXIRAOHLRQJC-QGZVFWFLSA-N 373.880 5.161 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 225530885 TXAIPFAEDIQBAK-KRWDZBQOSA-N 367.489 5.323 0 40 FKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCC2)cc1 225532336 YQIWTDPWZNVNLK-UHFFFAOYSA-N 367.489 5.241 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3cccc(C)c3)CCCC2)c1 225840936 SHJMTPFGKJKOOS-UHFFFAOYSA-N 352.547 5.535 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3ccc(C)cc3)CCCC2)cc1 225841172 FCLFCLDPZMZURU-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409115295 ILXKIABPLUIDEN-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB COC1(COc2cccc(Cl)c2)CCN(C2CCC(C)(C)CC2)CC1 585281920 UFBJJOVWIQVZOC-UHFFFAOYSA-N 365.945 5.169 0 40 FKAB CC(C)COc1ccc([C@@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 822593 ZWVOOYMMRUJKIY-BJKOFHAPSA-N 367.533 5.025 0 40 FKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1O 904187 JIMHZSDYGVULCA-UHFFFAOYSA-N 371.868 5.114 0 40 FKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4C)c3)nc2c1 986725 GQIVUFJHIALXDS-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB CCCC(=O)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl 1263141 KRHUWEIYVLVZOX-ZDUSSCGKSA-N 370.880 6.400 0 40 FKAB Clc1ccc(-c2ccnn2-c2nc(-c3ccccc3)cs2)c(Cl)c1 1384088 GVKDCWCNKWUERO-UHFFFAOYSA-N 372.280 5.970 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 1935306 LXALDAOGQIAWGM-QHHAFSJGSA-N 361.055 5.952 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 2057664 WWKVOWJVYKVFQH-UHFFFAOYSA-N 363.844 5.440 0 40 FKAB O=C(CCSc1ccc(Br)cc1)c1ccc2ccccc2c1 2531694 GWPCMYWJVZMUPE-UHFFFAOYSA-N 371.299 5.967 0 40 FKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccccc1Cl 2933957 LSTCDSGBKWPIFE-UHFFFAOYSA-N 357.331 5.072 0 40 FKAB O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccc(O)cc1 3202593 HNXXQWOKHRICPI-UHFFFAOYSA-N 365.388 5.013 0 40 FKAB Cc1ccc(C)c(-c2nnc(OCc3ccc(F)cc3)c3ccccc23)c1 3322428 QKPDBHPPFOETGX-UHFFFAOYSA-N 358.416 5.632 0 40 FKAB CCc1cccc2c(C(=O)CSc3cccc(C(F)(F)F)c3)c[nH]c12 3382351 ZWVCNEICJWHFOK-UHFFFAOYSA-N 363.404 5.724 0 40 FKAB CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 3382918 VYXDCPIPOQXVDT-UHFFFAOYSA-N 365.498 5.636 0 40 FKAB CC[C@H](C)c1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 3437594 RWNWEEYNNIUZJN-AWEZNQCLSA-N 352.459 5.225 0 40 FKAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc(Cl)cc1Cl 3449309 IVKPUOTVNYWARE-SECBINFHSA-N 373.077 5.247 0 40 FKAB CC(C)c1ccc(-c2csc(NC(=O)CCOc3ccccc3)n2)cc1 3892394 GRNBWOUYMQFVCX-UHFFFAOYSA-N 366.486 5.341 0 40 FKAB Cc1ccc(C)c(CSc2cn(Cc3ccccc3)c3ccccc23)c1 4059623 FERKFTNPARETSE-UHFFFAOYSA-N 357.522 6.599 0 40 FKAB CC(C)(C)c1ccc2c(c1)[C@@]13CCCC[C@H]1CCC[C@]3(c1ccccc1)N2 4114306 ZWAUJSNPNCWELO-AFWDCEBSSA-N 359.557 6.917 0 40 FKAB S=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCC1 4123786 DLOHYGCPBNFXOB-UHFFFAOYSA-N 354.906 5.114 0 40 FKAB Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1 4735073 GSKJYIRYDMIDAO-UHFFFAOYSA-N 357.413 5.090 0 40 FKAB O=C(Nc1ccccc1Cl)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 4852571 IZWQCYGTDFVOLL-LJKYEJJISA-N 358.696 5.135 0 40 FKAB C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(Cl)cc1 4887242 OLJSVJRJJXKBQE-CQSZACIVSA-N 355.890 5.463 0 40 FKAB COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@H]21)CC1(CC3)SCCS1 5824289 NJJRJTCHDTYRKU-BHIYHBOVSA-N 366.592 5.423 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1C 6215868 OQAXBOWCRGYFPM-UKTHLTGXSA-N 368.436 5.764 0 40 FKAB CCCCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 6595244 KZNCPNPNPJTHRZ-UHFFFAOYSA-N 358.894 6.136 0 40 FKAB CCc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(C(C)C)cc1)=N2 6844187 DESPASVYINFAGW-UHFFFAOYSA-N 373.525 5.868 0 40 FKAB CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 7262339 UYGMZZPRWQGMLY-UHFFFAOYSA-N 368.702 5.181 0 40 FKAB O=C(Nc1ccc(Cl)c2ncsc12)c1cccc(C(F)(F)F)c1 7598837 UNCPGDYANSZUHY-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)cc1 9063959 SBIYZIXCUXNYBC-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 17198378 RIHUEZRIXGXCKI-QGZVFWFLSA-N 368.285 5.171 0 40 FKAB CCCCOc1ccc(NC[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 19738150 DPFUSPDWPMMWPV-FPOVZHCZSA-N 369.549 6.649 0 40 FKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)oc2cc1C 21578467 HTRZNJMCTUBUKQ-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(COC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 32675552 OKWBIYNGJRADJC-UHFFFAOYSA-N 374.465 5.041 0 40 FKAB Cc1cccc(-c2noc(-c3ccccc3NC(=O)c3cccs3)n2)c1 33012660 KSWKBKLXCSAHID-UHFFFAOYSA-N 361.426 5.026 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Br)c1 51354359 PPAXJUZUTLIILN-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1cccc(Cl)c1 57992387 KSVGXKKLMGEBGR-QGZVFWFLSA-N 368.889 5.441 0 40 FKAB Cc1cc(Br)c2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 73638600 UIZJHFDOUFMAHQ-UHFFFAOYSA-N 364.242 6.233 0 40 FKAB COc1nc2ccc(Br)cc2cc1Cc1ccc(Cl)cc1 90555742 VHQNQUIPODZMBC-UHFFFAOYSA-N 362.654 5.250 0 40 FKAB Cc1[nH]c(-c2cc(C)n(-c3ccc(F)cc3F)c2C)nc1-c1ccccc1 95468330 FXRJEDFFKQAZKS-UHFFFAOYSA-N 363.411 5.738 0 40 FKAB CCn1c([C@H](C)N[C@H](C)c2ccc(Br)cc2)nc2ccccc21 97212892 DJLQIYSJXJBUJP-KGLIPLIRSA-N 372.310 5.231 0 40 FKAB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100294137 RZCHUWOWWZKPOH-HYUJZPPJSA-N 374.528 5.465 0 40 FKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)n1 170569419 QKCAALQYNYATHV-UHFFFAOYSA-N 368.440 5.243 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219316617 KVMJJEPVRBPSHT-NRFANRHFSA-N 353.462 5.113 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2cc3ccccc3nc2s1 223130251 SYIAATJFSNRFII-UHFFFAOYSA-N 356.809 5.494 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COCC(C)C 224736704 XUWRYNIFYSQQRQ-UHFFFAOYSA-N 361.869 5.164 0 40 FKAB CC(C)c1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225589647 VZRZRXCQIOHIOO-UHFFFAOYSA-N 350.597 5.552 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@@H]32)C1 256464545 VYIIGPBTHBMATO-JOAYKTOKSA-N 356.506 5.006 0 40 FKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc2c(Cl)cccc12 408622753 RHYAUYTYWLOTNJ-UHFFFAOYSA-N 369.851 6.317 0 40 FKAB Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)c1C 409112147 FFAJEFMMZJMTSR-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)c2ccccc21 409117923 YDFVMZLFBPGZIZ-JCMHNJIXSA-N 373.427 5.312 0 40 FKAB CCc1cccc(C)c1NC(=O)c1c(-c2ccccc2Cl)noc1C 643639 SULSBEVIVSMXRE-UHFFFAOYSA-N 354.837 5.427 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)C1CCCCC1 683247 AQIXMENTDLKFPQ-UHFFFAOYSA-N 356.853 5.111 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 1040928 WHCCRYPFFRQQAH-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB COc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)c(OC)c1 1098160 WDUOCTATPLIRIW-OAQYLSRUSA-N 365.454 5.655 0 40 FKAB O=C1O[C@@](Nc2cccc(C(F)(F)F)c2)(c2ccccc2)c2ccccc21 2084967 ANEHNPKXOCCKNQ-FQEVSTJZSA-N 369.342 5.189 0 40 FKAB Cc1cc(-c2ccccc2)[n+](Cc2ccc(Cl)cc2)c(-c2ccccc2)c1 2557599 HCJULUZBOGSTKF-UHFFFAOYSA-N 370.903 6.318 0 40 FKAB COC(=O)c1c(C)n(-c2ccc(C)c(C)c2)c2c1cc(O)c1ccccc12 3623973 KYOZBKKYVACQAD-UHFFFAOYSA-N 359.425 5.201 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 4211945 KDLNOQQQEBKBQM-DICPTYMLSA-N 372.549 5.476 0 40 FKAB biogenic,in-man O=C(CSc1nc(-c2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 4698424 TTWRRDTZJLJZJM-UHFFFAOYSA-N 369.555 5.688 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1Cl 6966808 GZDDNSGVMFRAJI-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB C[C@@H](NCc1ccc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2 7524280 YRRWGQGFIKCJTQ-LRYXAPPNSA-N 353.481 5.780 0 40 FKAB COc1c(Cl)cc(Cl)cc1CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 8534508 PGSKAWUXXWWNMJ-GOSFSIBNSA-N 368.348 5.841 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1SCc1ccccc1 10337758 IDXLVIRSFFJKRW-UHFFFAOYSA-N 355.409 5.509 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(Cl)c1Cl 12259760 FVVSMUQMSCVNKA-UHFFFAOYSA-N 362.212 5.314 0 40 FKAB Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(OC(F)F)cc2)c1C 12901435 NMZXXYNXXPWZGG-UHFFFAOYSA-N 362.401 5.009 0 40 FKAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc(CN(C)C)cc2)cc1 12914575 NNUUUWSDOULQKD-UHFFFAOYSA-N 360.457 5.101 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccoc1 12972496 ZOSZGPCLFVUAHS-UHFFFAOYSA-N 358.469 5.445 0 40 FKAB O=C(Nc1c(F)cccc1F)c1ccc(OCc2ccccc2Cl)cc1 13687773 BYXXPQIKZMDDLV-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 22053599 JRKJOHLMBLSCSC-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB COC1CCC([C@H](C)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CC1 27666498 VXABSJFGYZTECR-CCTQZPCPSA-N 373.581 5.087 0 40 FKAB CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1cccc2ccccc12 31071804 BXCPXTJLXATPNG-UHFFFAOYSA-N 357.375 5.060 0 40 FKAB Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)c1 36620780 YCTOVUMQJYVPBE-GOSISDBHSA-N 373.294 5.435 0 40 FKAB Clc1ccc(-c2nc(CSc3nncc4ccccc34)co2)cc1 40057609 FLKNCVLBGRGTRA-UHFFFAOYSA-N 353.834 5.231 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1Cl 44838273 ISYYJQWGNCXEOQ-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CCCCC4)cc3)n2)cc1 46018731 CDAIPVYJOBEBGR-UHFFFAOYSA-N 361.445 5.231 0 40 FKAB c1ccc(COCc2ccccc2CNc2ncnc3sccc23)cc1 71811006 SGXONJGZXQBUCF-UHFFFAOYSA-N 361.470 5.020 0 40 FKAB Cc1[nH]c(-c2ccc(-c3ccccc3[N+](=O)[O-])s2)nc1-c1ccccc1 95468295 JBTAVPRFTRCMJP-UHFFFAOYSA-N 361.426 5.689 0 40 FKAB O=C1[C@H]2CC[C@@H](C2)[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 100970811 NBTAGCPQLIPHHH-XGHQBKJUSA-N 361.466 5.468 0 40 FKAB CC1=C(C(C)(C)C)C(C)=[N+]2C1=Cc1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F 197815808 YOUJORYLBGPNSL-UHFFFAOYSA-N 360.301 5.829 0 40 FKAB CO[C@]1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCC[C@@H](C)C1 225637901 BPOAYYVNUOGDBK-UZUQRXQVSA-N 367.489 5.108 0 40 FKAB S=C(Nc1cccc(Cl)c1)NC1(CCc2ccccc2)CCCC1 225844819 BZNYPYRXMPJJGG-UHFFFAOYSA-N 358.938 5.572 0 40 FKAB Oc1nc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12 253536079 GYIUSTSQRBYHPV-UHFFFAOYSA-N 357.196 5.569 0 40 FKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 409103928 ZUPMYTBCTNIMRH-UHFFFAOYSA-N 371.937 5.471 0 40 FKAB c1ccc(-c2n[nH]cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 832920 TVKZGJCNVBNYJZ-UHFFFAOYSA-N 362.436 5.801 0 40 FKAB Cc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4)c(N)c3cc2c1 907298 QVFITRJAKPEKBJ-UHFFFAOYSA-N 367.861 5.246 0 40 FKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1Cl 1762663 IGYUHMZZBJXWKP-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB C[C@@H](NC(=S)Nc1cccc2ccccc12)c1cccc2ccccc12 3092236 SDUSEHNMRABOCN-MRXNPFEDSA-N 356.494 6.041 0 40 FKAB Cn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 3135088 YVYFSQQZHHFZCP-UHFFFAOYSA-N 356.494 6.046 0 40 FKAB Cc1ccc(C)c(N2COc3ccc4cc(Br)ccc4c3C2)c1 3636139 ZKKDTGWVAJCSBJ-UHFFFAOYSA-N 368.274 5.576 0 40 FKAB Cc1ccc(C(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)cc1 4217486 HJNOMDGCUNCQKK-UHFFFAOYSA-N 370.543 5.715 0 40 FKAB COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccc(F)cc1 4223008 VYZVOPVCTYKVIF-QGZVFWFLSA-N 365.448 5.264 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 4416117 ZMNYOEPNJGNNIP-UHFFFAOYSA-N 371.484 5.385 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 4854068 NBWACJFKJHKFSM-JTHBVZDNSA-N 374.871 5.891 0 40 FKAB Clc1ccc([C@H]2Nc3ccccc3Nc3n[nH]c(-c4ccccc4)c32)cc1 5827079 DTGXSRMDDLLPFV-HXUWFJFHSA-N 372.859 5.989 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 6396914 XXIJCNBPMXAEME-UHFFFAOYSA-N 352.478 5.365 0 40 FKAB Nc1c(Cl)cc(NC(=S)Nc2cccc3ccccc23)cc1Cl 6653137 WWFUTBMHDASVBT-UHFFFAOYSA-N 362.285 5.538 0 40 FKAB Cc1cccc(-c2nnc([C@@H](C)N3CCC(Cc4ccccc4)CC3)o2)c1 7341739 KLUHKCJYXRAYFH-GOSISDBHSA-N 361.489 5.061 0 40 FKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1c(F)cccc1F 7599267 KDTFSQZNPABRJD-UHFFFAOYSA-N 356.353 5.087 0 40 FKAB COc1ccc(C)cc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 8060960 GFSLMESJYXTMHJ-UHFFFAOYSA-N 372.877 5.341 0 40 FKAB CC(=O)NCc1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)cc1 8209440 JJABGYDHBANKGS-UHFFFAOYSA-N 350.487 5.237 0 40 FKAB FC(F)(F)c1cc(-c2ccco2)nc2c(-c3cccc(Cl)c3)cnn12 8569799 UZELFCCMRGPWPI-UHFFFAOYSA-N 363.726 5.329 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1C 10215557 ICBRNUDYFZOGKA-RBBKRZOGSA-N 360.482 5.607 0 40 FKAB O=C(Nc1ccncc1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 17586119 FUINGOIZGQJJCL-UHFFFAOYSA-N 358.319 5.145 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577764 ZBXLHKDNWACKEK-UHFFFAOYSA-N 354.469 5.366 0 40 FKAB COc1cccc(NC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)c1 22072128 AHYHGRJNROVZNF-UHFFFAOYSA-N 361.445 5.210 0 40 FKAB CN(C(=O)c1oc2ccccc2c1COc1ccccc1)c1ccccc1 23243561 STRXKVDJRYLNQC-UHFFFAOYSA-N 357.409 5.288 0 40 FKAB COc1ccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 27744330 HMKJLOJZLUSACE-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB Cc1cc2oc(C(=O)Nc3ccccc3OC(F)F)c(C)c2cc1Cl 27985591 KSCJKNAMJGNYSS-UHFFFAOYSA-N 365.763 5.557 0 40 FKAB Cc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc1 49005236 LURJIACLQIXBIO-QGZVFWFLSA-N 374.488 5.005 0 40 FKAB CCCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1cccc(C)c1 58978823 MMUWNMHFONGHEE-UHFFFAOYSA-N 368.864 5.669 0 40 FKAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)no2)cc1 61997145 PCESHMSCOFVMET-UHFFFAOYSA-N 372.424 5.534 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)oc3c2)c1 62049577 BNEWTQHRRAZDBL-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1ccc2cc(/C=C/C(=O)Nc3ccc(Br)cc3)oc2c1 67339729 XSYAQXBVAIPSDP-CMDGGOBGSA-N 356.219 5.156 0 40 FKAB CCOc1ccc(OCC)c(NC(=S)Nc2cccc(SC)c2)c1 71761290 QDYHQMUCAIRUHO-UHFFFAOYSA-N 362.520 5.015 0 40 FKAB O=C(O)c1ccccc1Nc1ccnc2c(Sc3ccccc3)cccc12 78401555 NUXQZRZYLSVSQZ-UHFFFAOYSA-N 372.449 5.828 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc2ccccc12 222857766 BTLBISVLEWOSMM-KRWDZBQOSA-N 361.485 5.221 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc3ccccc3nc2s1 223129740 BPIYFFNQVWDORA-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB COc1ccc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224338462 SIQJARSMOQBLBY-UHFFFAOYSA-N 363.438 5.325 0 40 FKAB CC(C)(C)CNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225222473 ZDCHXBTWAGYMMK-UHFFFAOYSA-N 365.955 5.219 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C)cc2C)cc1 225496764 UNJABXJJMKQJIG-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB O=C(C1CCCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257331654 XTSJDEBSKWSQKP-HXUWFJFHSA-N 370.468 5.038 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 408679515 NBLNUUGRHXTIJA-UHFFFAOYSA-N 363.482 6.232 0 40 FKAB CCCc1sc(=Nc2ccccc2Cl)[nH]c1-c1ccc(OC)cc1 408756259 PNERABGSTYDGIO-UHFFFAOYSA-N 358.894 5.590 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409012776 KNTPPFKYTXQXPZ-BXUJETTOSA-N 369.486 5.462 0 40 FKAB Fc1cccc(OCCCN2CCCCC2)c1Oc1cccc(Cl)c1 585266183 GVDPIWHBHWPNPX-UHFFFAOYSA-N 363.860 5.526 0 40 FKAB CC(C)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 1618093 JQLNFODDCYXPCO-KAAOTHNJSA-N 364.485 6.430 0 40 FKAB Cc1cc(C)c(-c2cc(O)c(-c3c(C)cc(C)c(C)c3C)cc2O)c(C)c1C 1718637 VLRWLVJPSDPSIO-UHFFFAOYSA-N 374.524 6.899 0 40 FKAB CCCCCCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O 2149262 GPRXWFDXJHUKRG-UHFFFAOYSA-N 354.490 6.576 0 40 FKAB biogenic COc1ccc(Oc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2301884 SPTXNBWMCNLOAS-UHFFFAOYSA-N 362.816 5.751 0 40 FKAB CCCC[C@H](CC)CNC(=O)CCCOc1ccc(Cl)cc1Cl 2746006 BEPUBLHMLXSFOC-AWEZNQCLSA-N 360.325 5.485 0 40 FKAB O=C(O)[C@H](Sc1nc(-c2ccccc2)c2ccccc2n1)c1ccccc1 3210157 DDPJSROAAAQFMY-HXUWFJFHSA-N 372.449 5.215 0 40 FKAB Cc1sc(NC(=O)c2ccccc2C(F)(F)F)nc1-c1ccccc1 3353831 WTWYSZAYGJXQRZ-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(c5ccccc5)=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849763 DVFACKFNDPANLI-FDUPHUDESA-N 350.546 6.084 0 40 FKAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl 4174212 QMUXFUIWFZBDJE-SFHVURJKSA-N 366.873 5.393 0 40 FKAB COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccccc2)cc1 4377761 IOLLDEUCCRXJPD-ISKFKSNPSA-N 354.453 5.223 0 40 FKAB COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(Cl)cc1 4578209 DUFYEUYVCHKIQW-SFHVURJKSA-N 368.889 5.766 0 40 FKAB Cc1ccccc1OCCSc1nc2ccccc2n1Cc1ccccc1 4726067 IZXLLCMVQQUAJA-UHFFFAOYSA-N 374.509 5.564 0 40 FKAB CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 4891624 OXCUPNWUHRJSMT-UHFFFAOYSA-N 368.492 6.899 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 6288812 WKZONXGMWPUXFE-LLVKDONJSA-N 357.759 5.073 0 40 FKAB Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 6800421 ALCYRTJAWJYDPJ-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB CCCCC/C=C\C/C=C/CCCCCCCC1=NC(C)(C)CN1C(C)C 8612757 FJQBQHDALVQQQD-SEGPTZFDSA-N 374.657 7.701 0 40 FKAB Cc1ccccc1CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9199771 MTAXVTSDNSWIJC-UHFFFAOYSA-N 372.493 5.851 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10336329 LETBIBYRSYUCKB-UHFFFAOYSA-N 350.506 5.267 0 40 FKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)CCCCCC4)C1 12609599 UVSAZAAIUZLJRR-INIZCTEOSA-N 361.554 6.747 0 40 FKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(Cl)ccc1Cl 12619742 IDQLKYVSEPEIGD-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2cccs2)n1 12943614 GBFRGMBGBGCUHY-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB O=C(Nc1ccc(NC(=O)c2cccc3ccccc23)cc1)c1cccs1 16526263 KEDNAFWMZDAEMH-UHFFFAOYSA-N 372.449 5.406 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1C 16842903 VJAHKWJZONDZEQ-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB CCCCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 17270332 NZFWNNQFBBOTIP-UHFFFAOYSA-N 357.461 5.062 0 40 FKAB COc1cc2ccccc2cc1C(=O)NCCSc1ccc(Cl)cc1 20451131 TUOVHAHWNVLWFR-UHFFFAOYSA-N 371.889 5.024 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(C)c1 20459642 GWEMPGCEXUVECL-QUCCMNQESA-N 364.533 5.026 0 40 FKAB CCc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn23)cc1 27585611 WVAZVNOLSFIDPB-UHFFFAOYSA-N 362.864 5.664 0 40 FKAB CC(C)(C)c1ccc(C(=O)N2CCC(CCN3CCCCCC3)CC2)cc1 32593852 FMHOMCWFPSTNJP-UHFFFAOYSA-N 370.581 5.102 0 40 FKAB S=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cccc2ccccc12 33726214 HTEUCYYRJRIVLE-UHFFFAOYSA-N 369.493 5.635 0 40 FKAB Cc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 33776728 NPUPFFTWYJKFRU-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Fc1ccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 38652127 RZHLOHHFRQBXFT-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB CN1/C(=C/CN2C(=O)c3cccc4cccc2c34)C(C)(C)c2ccccc21 100835224 OIIYTHWZPMRWCR-KGENOOAVSA-N 354.453 5.112 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1C 107031085 GOAQKJIJJFNVEG-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CC(=O)Oc1ccc(Cl)cc1/C=C\c1ccccc1Br 117756006 RZELIUUDCHQPEY-SREVYHEPSA-N 351.627 5.198 0 40 FKAB COc1ccccc1NC(=O)Nc1ccccc1Sc1ccccc1 139218490 QGNWKDBJRHLDRF-UHFFFAOYSA-N 350.443 5.490 0 40 FKAB Cc1ccc2ccccc2c1C(=O)c1cc(Br)ccc1Cl 160819321 YXKHGJZMGUTYBA-UHFFFAOYSA-N 359.650 5.795 0 40 FKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1 216572652 SVXVKRYWQBSVQN-IYBDPMFKSA-N 357.881 5.322 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(C(C)C)cc1 219617569 ULFUFPWXSMMYSC-OAQYLSRUSA-N 373.924 5.370 0 40 FKAB C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223151703 YZEZLLUCRIWVIW-UONOGXRCSA-N 359.922 5.187 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1C 225339142 QEHUZGYDTUREFZ-GOSISDBHSA-N 350.289 5.502 0 40 FKAB FC(F)(F)c1ccc(NC(=S)NCCSC2CCCCC2)cc1 225357910 GIFUEZLYVDEQLI-UHFFFAOYSA-N 362.486 5.058 0 40 FKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616191 PBIRMRUJCJLMHK-UHFFFAOYSA-N 363.542 5.590 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1 225710007 FXZLZPKLHYZNRD-QGZVFWFLSA-N 366.452 5.760 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(N)c1 226348825 FFVFBXMCEIEIHY-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 226756052 PSIUFIPWKQHKSD-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)c1ccccc1 245239239 GUFISKMWHBUYOH-DHPAQESNSA-N 352.562 6.307 0 40 FKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(F)cc1 408623982 ACBKHIHGKQUHIL-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CSc1ccc2ncnc(N[C@H](C)c3ncc(-c4ccccc4)o3)c2c1 561373839 DVEFPMMBAZEABS-CYBMUJFWSA-N 362.458 5.180 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)/C(Br)=C/c1ccccc1 955806 HWQIAIKGZTYPFA-ZROIWOOFSA-N 370.168 5.080 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C)cc1C 1770409 OOHRMSMQGWBLNP-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB c1ccc(C2=Nc3ccccc3N=C(c3ccccc3)c3ccccc32)cc1 2215550 UMEQDRXHICXZHW-UHFFFAOYSA-N 358.444 6.338 0 40 FKAB Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)c(Cl)c1 3229490 AOKVQDGTXUWKSZ-UHFFFAOYSA-N 362.305 5.234 0 40 FKAB Fc1ccc(-c2csc3ncnc(NCc4cccc(Cl)c4)c23)cc1 3317185 IJYTZGCXSLFQEZ-UHFFFAOYSA-N 369.852 5.763 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)oc1ccccc12 4694578 YPQCOUJERJFTPM-UHFFFAOYSA-N 359.469 6.131 0 40 FKAB Fc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc(Cl)cc1 4733553 RFVPRMMGDFFLTH-UHFFFAOYSA-N 372.230 6.191 0 40 FKAB Cc1ccc(C(C)C)c(Oc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 5745009 PRGJRFSCXCJOKI-LJQANCHMSA-N 373.496 6.402 0 40 FKAB CC(C)/N=C1\S/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1C(C)C 6324982 HBSMKFKBLRTQMB-AUCMGLCLSA-N 372.465 5.175 0 40 FKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 6469150 FNZNYYBVSBPMCA-VXJOIVPMSA-N 367.301 5.609 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(C)cc1 6938706 KCWCEJLPBDBXNM-INIZCTEOSA-N 363.324 5.195 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687558 SOXRJXHVTDCQIT-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(OC(C)C)cc1 7995950 ZKSJMLPPEQPTAY-UHFFFAOYSA-N 352.459 5.158 0 40 FKAB O=C(O)c1ccc(Cl)c(NC(=O)c2sc3ccccc3c2Cl)c1 13167683 RJLWFNCMANQOPT-UHFFFAOYSA-N 366.225 5.159 0 40 FKAB O=C(CSCc1ccccc1)Nc1ccccc1Sc1ccccc1 14412883 LMCXGTJXDYXGBH-UHFFFAOYSA-N 365.523 5.710 0 40 FKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 17075521 PFVUPBXOPYRAFK-UHFFFAOYSA-N 367.802 5.879 0 40 FKAB COc1cccc(Nc2ncccc2C(=O)Nc2ccc(C(C)C)cc2)c1 22072975 FDEWCCDEDRQCHD-UHFFFAOYSA-N 361.445 5.210 0 40 FKAB COc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)c1 27739916 TUDHPEFLXHEUTH-UHFFFAOYSA-N 351.471 5.221 0 40 FKAB CC(=O)Nc1cccc(Nc2nnc(S[C@H](C)c3ccccc3)s2)c1 32779000 AAIZFPKTXCNRNN-GFCCVEGCSA-N 370.503 5.093 0 40 FKAB Cc1cccc(C)c1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 35311356 NHYMUINDFYKAPT-UHFFFAOYSA-N 370.880 5.084 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 38755488 IUCGYBHLOYNMNR-HRAATJIYSA-N 369.505 5.028 0 40 FKAB Cc1ccc2nc(Nc3nc4c(Cl)c(Cl)ccc4s3)oc2c1 57352953 QVHMEGNWLSWHFO-UHFFFAOYSA-N 350.230 5.796 0 40 FKAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 71280985 KQGRNISKWUZSLE-CQSZACIVSA-N 355.825 5.501 0 40 FKAB Cc1oc(-c2cccs2)nc1C[S@@](=O)c1ccc(Cl)c(Cl)c1 95962099 DPIQNGZOECYVAT-QFIPXVFZSA-N 372.298 5.326 0 40 FKAB CC[C@@]1(C)C[C@](CCN[C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 102760620 FRRPVDBEADNXFW-JRGCBEDISA-N 351.962 6.002 0 40 FKAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)c1ccc(F)cc1 195616519 WPABIKSPKDCIEN-CQSZACIVSA-N 369.465 5.165 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219591278 IGSQDQWGNDLCHX-JOCHJYFZSA-N 373.452 5.022 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1SC 222922275 SKFFDPABXINZIO-GOSISDBHSA-N 357.519 5.502 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223107066 GJUHJIBUGJAGOF-GOTSBHOMSA-N 365.517 5.299 0 40 FKAB CCCOc1ccc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 223609867 OFBNHRUVNBOVOT-HXUWFJFHSA-N 367.489 5.288 0 40 FKAB Cc1ccc(Nc2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)cc1 223959745 JHPCZFJLYPXYDE-MRXNPFEDSA-N 362.502 5.181 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1cnn(-c2ccccc2)c1 224053792 JIYHSNOSGFBFGY-UHFFFAOYSA-N 371.465 5.276 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1C 224120615 GRMOHYVSXKCCQN-RXVVDRJESA-N 353.506 5.462 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(OC)cc1 224323171 KVVQSSVPNWZXNO-UTKZUKDTSA-N 369.505 5.162 0 40 FKAB COC(=O)c1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(N)c1 225447358 ZFUNSNOIKQOOLS-UHFFFAOYSA-N 368.820 5.245 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 225488713 CFHVTKGMJOORIA-INIZCTEOSA-N 368.424 5.152 0 40 FKAB CCCOC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCCC1 225658463 VZMUJRNWVVSEPT-UHFFFAOYSA-N 361.526 5.406 0 40 FKAB Cc1ccc2nc(Cc3cc(C(F)(F)F)ccc3C(F)(F)F)oc2c1 228954021 TYOMUKMUUYTPBS-UHFFFAOYSA-N 359.269 5.765 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2ccc(C(=O)O)cc2)c1 257281454 OPFSKESKDYBOLS-LJQANCHMSA-N 367.445 5.124 0 40 FKAB COCc1nn2c(-c3ccc(Cl)cc3)cc(C)nc2c1-c1ccccc1 408541163 BTWXETUNGCXZNZ-UHFFFAOYSA-N 363.848 5.172 0 40 FKAB Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408564640 ZETJMUAAKFNYQE-UHFFFAOYSA-N 373.827 5.539 0 40 FKAB CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Cl)c1OCC 408624922 VWWDCLSNZOFDRI-UHFFFAOYSA-N 361.869 5.261 0 40 FKAB CCCCCCc1c(C)c2ccc(O[C@H]3CCCCC3=O)c(C)c2oc1=O 2094579 AJZGNTQMBHDQGP-NRFANRHFSA-N 370.489 5.423 0 40 FKAB biogenic Cc1ccc(C(=O)[C@H](C)OC(=O)c2sc3ccccc3c2Cl)cc1 2628224 JQMKZGVXKXAQCY-LBPRGKRZSA-N 358.846 5.291 0 40 FKAB Cc1cc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nc2ccccc12 2889217 DWQVWRNFAFXREG-UHFFFAOYSA-N 364.514 5.572 0 40 FKAB Cc1c(NC(=O)C2CCCCC2)cccc1-c1nc2cccnc2s1 2961594 JDTMOMKIBFHATN-UHFFFAOYSA-N 351.475 5.186 0 40 FKAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 3096349 JFIILUTWJMOGPL-UHFFFAOYSA-N 351.833 5.105 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1c(F)cccc1Cl 3315786 ITGKTSOILFEVCY-FNORWQNLSA-N 359.611 5.543 0 40 FKAB COc1cccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970900 WNUKPSQAWKOKFU-UHFFFAOYSA-N 362.454 5.012 0 40 FKAB C[C@H](Sc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)CCC2 5038054 IWZGLMBNDVYEIW-NSHDSACASA-N 351.298 5.846 0 40 FKAB CC1(C)C[C@](CCNCc2ccco2)(Cc2ccccc2Cl)CCO1 5478528 ZBENECJIVXXBGM-NRFANRHFSA-N 361.913 5.231 0 40 FKAB CC[C@@H](c1cccc(OC(C)=O)c1)[C@@H](CC)c1cccc(OC(C)=O)c1 5572822 XGQBZMBPDNYTIL-VXKWHMMOSA-N 354.446 5.225 0 40 FKAB COc1ccc(CN(C(=O)c2ccccc2)[C@@H](C)Cc2cccs2)cc1 6566481 WGFXIWRYHQVFCE-KRWDZBQOSA-N 365.498 5.030 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccccc1SCc1ccccc1 7684603 SKPRVXHAPUKKTA-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB CC[C@@H](C)NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 8325911 PYKGEQJIGCKJJD-CYBMUJFWSA-N 368.304 5.469 0 40 FKAB Cc1ccc(Cl)cc1-n1ncc2c(Nc3cccc(C)c3C)ncnc21 8583115 YRRMEHVIWMEZHQ-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 12105292 RTYDRTASJJBLJA-UHFFFAOYSA-N 357.482 5.150 0 40 FKAB CCOc1ccc2c(=O)c(-c3cscn3)c(/C=C/c3ccco3)oc2c1 12981382 JJIBNVBRIMCQCN-SOFGYWHQSA-N 365.410 5.079 0 40 FKAB CC(C)SC1=NC(C)(C)C=C(/C=C/c2ccc(Cl)cc2Cl)N1 13125350 AYSBPUMCRPNTPR-SOFGYWHQSA-N 355.334 5.770 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1C 13582417 SACDICHXWJLZOF-UHFFFAOYSA-N 363.482 5.797 0 40 FKAB C/C=C/c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 14255529 INGRZSAOSQNZCW-HWKANZROSA-N 366.244 5.053 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SC(F)F)cc1 15331630 JQQLBJPNIITCIU-SNVBAGLBSA-N 357.809 5.061 0 40 FKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1c(C)cccc1C(C)C 15582372 QXLZVIGAWPFZBO-OAQYLSRUSA-N 362.473 5.021 0 40 FKAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1 16201290 GMDCFVLYYICTLY-RHPXVONCSA-N 363.379 5.094 0 40 FKAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 22511980 HHKRKLFDWBNQTC-XMMPIXPASA-N 373.496 5.485 0 40 FKAB CCc1ccccc1NC(=O)CSc1ncc(-c2ccc(C)c(C)c2)o1 23119126 HGYDEBSXLZIDOB-UHFFFAOYSA-N 366.486 5.252 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl 30754222 QLBHSBWVZMJKJA-UHFFFAOYSA-N 372.292 5.024 0 40 FKAB O=C(Cc1cccc2ccccc12)N(Cc1cccc2[nH]ccc12)C1CC1 32103016 HJAFZRGSYJYOKF-UHFFFAOYSA-N 354.453 5.055 0 40 FKAB O=C1C[C@H](c2cccc(Cl)c2)c2snc(-c3cccc(F)c3)c2N1 35324480 WZNQXJCCCGABOL-CQSZACIVSA-N 358.825 5.077 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38833731 SYTDSSPIZTVVHS-UHFFFAOYSA-N 350.506 5.438 0 40 FKAB O=C(NCc1cc2cc(F)ccc2s1)c1ccc(Cl)cc1Cl 40135180 SMNFYKQQKGWUKS-UHFFFAOYSA-N 354.233 5.277 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc2occc2n1Cc1ccccc1 40267056 UCUZMDXVQVWLJV-UHFFFAOYSA-N 350.805 5.188 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 58839960 JXJZFTWBIYPVGP-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)Nc1nccs1 61722032 CTKPKJSDELZSLR-UHFFFAOYSA-N 370.286 5.134 0 40 FKAB Cc1ccccc1NC(=O)c1sc(Nc2ccccc2Cl)nc1C 67322091 PEMMVACFZWUPGE-UHFFFAOYSA-N 357.866 5.409 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1F 71761699 ZJHMLGCROISCLM-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215853 LJQCBXMAVDOKPN-LJQANCHMSA-N 367.493 5.312 0 40 FKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(F)cc2)S1 85411809 SVHNTXRHTRTCFZ-QGZVFWFLSA-N 359.470 5.097 0 40 FKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2[C@H]1c1ccccc1 101227927 RHIFXWCFNVLMHO-JOCHJYFZSA-N 350.425 5.001 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc3ccccc23)c1 222893397 BNFLWJTXQLAQHE-SFHVURJKSA-N 361.485 5.355 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222971592 ILWZFAIBVCQYCI-GCJKJVERSA-N 365.517 5.217 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C 223433969 GBNOTDJJARPDRI-LJQANCHMSA-N 351.534 5.719 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 225366828 ODJMQJFSDKFVSY-UHFFFAOYSA-N 368.930 5.007 0 40 FKAB CCNc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 226282183 PHPOYXHHMXPRNM-UHFFFAOYSA-N 367.246 5.842 0 40 FKAB COc1cccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 226363438 AQAZJOFHIHBSHN-UHFFFAOYSA-N 367.857 5.792 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c(C)s1 408581031 SUIDTANIIWYBFH-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 408621960 NSHVZFZZWRHQMV-UHFFFAOYSA-N 373.250 5.242 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 409119697 UCCOPEPPYCWTAO-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)o1 1889139299 ZMDCSLTVAOWENP-CPIUCQDBSA-N 368.561 6.375 0 40 FKAB Cc1ccc(-c2nc3ccc(Br)cn3c2NC(C)(C)C)cc1 904203 GIENQPHLCYCVBC-UHFFFAOYSA-N 358.283 5.283 0 40 FKAB C[C@@H](NC(=O)c1cccc(C(=O)[C@H](C)c2ccccc2)c1)c1ccccc1 1057633 PWOQWDIELJQRNZ-QZTJIDSGSA-N 357.453 5.164 0 40 FKAB CCCCCCc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 2298525 LGALKKGNPBVXHA-UHFFFAOYSA-N 360.453 6.637 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1sc2cc(C)ccc2c1Cl 2747100 FDXUFXKGBLKBNO-UHFFFAOYSA-N 357.906 6.240 0 40 FKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=S)NCCOC)cc2)cc1 3263998 BZYIZBAFQKBJMI-UHFFFAOYSA-N 372.534 5.099 0 40 FKAB O=C(O)c1ccccc1Sc1nc(-c2ccccc2)nc2ccccc12 3454786 KPCPLSAQJCEBSC-UHFFFAOYSA-N 358.422 5.146 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1 3655309 GOQANBSRXBOMDN-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB C[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110313 YENHYTINCMYKIP-YGBSJELFSA-N 362.966 6.072 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 4184218 ZQPQFOWOUOSWMI-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1cc2n(n1)[C@H](c1ccc3c(c1)c1ccccc1n3C)Nc1ccccc1-2 4707171 BKLKNHPXQIFWDZ-XMMPIXPASA-N 364.452 5.476 0 40 FKAB COc1ccc(C2=NN(c3ccc(F)cc3F)[C@@H](c3cccs3)C2)cc1 4712870 SAOKUQHWBIWINE-LJQANCHMSA-N 370.424 5.391 0 40 FKAB Cc1sc(-c2cc3cc(Cl)ccc3oc2=O)nc1-c1ccccc1 4996460 ANCKIDDQOYGETM-UHFFFAOYSA-N 353.830 5.545 0 40 FKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cccc(F)c1 5125651 FBHZKBJCLYNHDN-LVWGJNHUSA-N 358.372 5.057 0 40 FKAB CCCCc1cc(=O)oc2cc(C)cc(OCc3cccc(OC)c3)c12 5546827 HYPLWVJUXOHWOI-UHFFFAOYSA-N 352.430 5.032 0 40 FKAB biogenic CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC 5980208 HYGRRFJDAZIOTO-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1nc2ccccc2s1 6509156 CBBMXCRQJWYBSJ-UHFFFAOYSA-N 353.230 5.352 0 40 FKAB Cc1c(Cl)cccc1Nc1ncnc2scc(-c3ccccc3)c12 6530315 ZUOISKIIMMHUNA-UHFFFAOYSA-N 351.862 6.064 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 7079990 JOWVPDKWENLMBY-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB CCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccccc21 7153857 UJLWMYSOXYWPPL-UHFFFAOYSA-N 370.865 5.052 0 40 FKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2sccc2C)cc1 8846080 RIWMVHIEKFGIJP-UHFFFAOYSA-N 356.516 5.357 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1ccccc1 14035531 OZEAAMFFFODLIT-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 20459247 ILCWHPLSCNXCLJ-MRXNPFEDSA-N 361.485 5.637 0 40 FKAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20632991 BYNNGUURCVJZRQ-FQEVSTJZSA-N 358.485 5.525 0 40 FKAB Cc1cc(C)c(NC(=O)N(C)Cc2ccc(Br)cc2)c(C)c1 40095816 WQCWVZSBFSHRJB-UHFFFAOYSA-N 361.283 5.038 0 40 FKAB CCOc1ccc2nc(C)cc(Nc3ccc(C(=O)OC(C)C)cc3)c2c1 41127792 NNGBZLCVLJKYIG-UHFFFAOYSA-N 364.445 5.251 0 40 FKAB Fc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 44086990 PKNXJKOVZKJGET-UHFFFAOYSA-N 360.457 5.971 0 40 FKAB FC(F)(F)c1ccccc1Nc1nc(-c2ccc(Cl)cc2)cs1 58197855 KZEXMFGTPQXNDA-UHFFFAOYSA-N 354.784 6.226 0 40 FKAB CCCCNC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472793 VRECVXSQHUDXJK-UHFFFAOYSA-N 358.894 5.389 0 40 FKAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72213445 HFZPQSYLGOYNSS-XLIONFOSSA-N 367.493 5.156 0 40 FKAB CCOC(=O)Nc1sc(-c2cccc(OC)c2)nc1-c1ccc(C)cc1 72427589 SBUCOYBVEWFTSE-UHFFFAOYSA-N 368.458 5.363 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 100640259 QRNWSZQYLIEBMM-OAQYLSRUSA-N 362.429 5.287 0 40 FKAB COc1ccc(-c2cs/c(=N/C3CCCCC3)n2C2CCCCC2)cc1 102945793 VNCSUDYWKAPZJV-GHVJWSGMSA-N 370.562 5.964 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219607775 VJHPQJCQKNJXBP-HXUWFJFHSA-N 373.880 5.458 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Cl 222995789 IMYMCTZCARQFJL-HOTGVXAUSA-N 371.908 5.172 0 40 FKAB Cc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1C 223146071 GGLIBCVOTLYZQF-UHFFFAOYSA-N 366.686 5.291 0 40 FKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1 223583169 HLZZLEYWXNQQAH-UHFFFAOYSA-N 367.448 5.316 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)c(C)c1 224014610 CTNQIAXZDDDEKI-GOSISDBHSA-N 357.519 5.385 0 40 FKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 224597766 YEUZYFLBSCATLJ-UHFFFAOYSA-N 358.485 5.367 0 40 FKAB Fc1ccccc1C1=N[C@@H](c2ccccc2)c2ccccc2-n2cccc21 225374163 KRFWLNUYXPIHTA-QHCPKHFHSA-N 352.412 5.557 0 40 FKAB CCCC[C@H](CC)C(=O)c1ccc(Br)cc1C(F)(F)F 575362466 OJUUHCCWGACWGX-JTQLQIEISA-N 351.206 5.867 0 40 FKAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1 861810 UXOLSLSJJVXHCJ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](CC)C2 1102491 ZEKQYEDVASHFMD-CQSZACIVSA-N 371.502 5.000 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 1408449 AQYWHUJCPVLQLO-PCWWUVHHSA-N 371.524 5.414 0 40 FKAB C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1579054 ILBBYVOOXMPNTM-ZDUSSCGKSA-N 366.452 5.506 0 40 FKAB in-man c1cc(Nc2ccc3ccccc3c2)cc(Nc2ccc3ccccc3c2)c1 1669829 AJOAZEMNFCIPMQ-UHFFFAOYSA-N 360.460 7.480 0 40 FKAB Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C1CC1 2267374 PWFHKNJJTPGGBU-UHFFFAOYSA-N 361.557 5.815 0 40 FKAB CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2336906 PAXLNLAHXLWMRW-UHFFFAOYSA-N 356.901 5.478 0 40 FKAB COc1cccc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1 3242609 RCZULXGKBJLQKH-LDADJPATSA-N 353.418 5.075 0 40 FKAB CC(C)[C@@H](CCC[C@H](C)C[C@H](O)Cc1ccccc1)Cc1ccccc1 3845960 VTHTXJLWIHKOGX-TUSQITKMSA-N 352.562 6.301 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCC2)cc1 4746919 GPXJGTDGUJOQPT-FYWRMAATSA-N 358.441 5.199 0 40 FKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2cccs2)n1 4757704 DELHVLIKEMQXMQ-UHFFFAOYSA-N 369.799 5.489 0 40 FKAB COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1OC 5235222 KSHITPDGTKYTAL-FYWRMAATSA-N 370.452 5.272 0 40 FKAB CCOC(=O)c1c(NC(=O)c2cccc(SC)c2)sc2ccccc12 5412464 UGOKBLJIMUWFHH-UHFFFAOYSA-N 371.483 5.052 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(Cl)cc1 5711054 RJAXNPUHBUOXEQ-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB CCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C(F)(F)F)oc2cc1O 5902644 WCVFLQTZLGEKFQ-UHFFFAOYSA-N 374.314 5.493 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)s2)N3)C1 6202952 DCUPQXRIUAKNOU-SJCJKPOMSA-N 374.575 6.088 0 40 FKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1 6264750 GRGGVDKLEONJKG-UHFFFAOYSA-N 364.493 5.056 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 6393263 VBWCEHLJKDDCBN-UHFFFAOYSA-N 369.386 5.866 0 40 FKAB O=C(NC1CC1)[C@@H](Sc1c(Cl)cccc1Cl)c1ccccc1 7919055 PUJXOEUSJGZSEU-HNNXBMFYSA-N 352.286 5.105 0 40 FKAB CCn1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C 8089876 SCTJILKKWOYTCS-CXUHLZMHSA-N 360.866 5.019 0 40 FKAB CCCCCCOC(=O)C[C@@H]1C[C@@H](C(=O)OCCCCCC)C1(C)C 8579692 LQWWBUISXKONLQ-ROUUACIJSA-N 354.531 5.286 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)cc1 9660047 QIXOXNIDLMYXAZ-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic Cc1c2c(nc3cc4c(cc13)OCO4)-c1ccccc1O[C@H]2c1ccccc1 12565815 AAWKABDMLLKVBW-DEOSSOPVSA-N 367.404 5.421 0 40 FKAB CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 12798130 NMNUKAYOADOGSV-UHFFFAOYSA-N 351.258 5.270 0 40 FKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(F)cc2)o1 14183000 BRUBFUDSYUPKJS-UHFFFAOYSA-N 367.405 5.131 0 40 FKAB O=C(Nc1ccccc1)c1sc(-c2ccccn2)nc1-c1ccccc1 14227582 DCCMXMWNMOORBR-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB COc1ccc(C(=O)C[C@@H](Nc2ccc(C)c(C)c2)c2ccccc2)cc1 16312509 BNNOMEAKOFKVPM-HSZRJFAPSA-N 359.469 5.738 0 40 FKAB CCCCOc1ccc(NC[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 19738149 DPFUSPDWPMMWPV-PZJWPPBQSA-N 369.549 6.649 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(C)c1 20459643 GWEMPGCEXUVECL-ICSRJNTNSA-N 364.533 5.026 0 40 FKAB Fc1cc2c(Br)cc1CSCc1cccc(c1)CSC2 25691548 STLRQSITKQNJIJ-UHFFFAOYSA-N 369.324 5.768 0 40 FKAB C[C@H](Nc1ccc(NC(=O)NCc2ccco2)cc1Cl)c1ccccc1 58017471 BXCRGRQKASBVNG-AWEZNQCLSA-N 369.852 5.428 0 40 FKAB CSc1ccc2cc(CNCc3ccc(Cl)cc3)c(Cl)nc2c1 58138101 YSKVEVRYRMHEGW-UHFFFAOYSA-N 363.313 5.553 0 40 FKAB CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4c(ccc(O)c4C)[C@H]3CC[C@]12C 65743317 HYULKAMCRUYZJT-KVMFQRFPSA-N 370.533 5.659 0 40 FKAB in-vitro CCCCCn1c(SCc2ccc(C)cc2)nc2ccsc2c1=O 67259651 SBELTKMTSXUIPB-UHFFFAOYSA-N 358.532 5.249 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)N(CCc1cccs1)C1CC1 75154838 GTSJQGHNLNYIDA-UHFFFAOYSA-N 354.397 5.006 0 40 FKAB Clc1ccc2c(N3CCCC[C@@H]3c3nc4ccccc4o3)ncnc2c1 95446191 NLMZOSXNHBMLKP-QGZVFWFLSA-N 364.836 5.156 0 40 FKAB CSc1ccc(/C=C/C(=O)N(Cc2ccoc2)Cc2cccs2)cc1 96120658 NTYKGSFFAUPCQA-RMKNXTFCSA-N 369.511 5.305 0 40 FKAB CC(C)Oc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225578548 VYCLUKBGONZNFK-GOSISDBHSA-N 370.518 5.063 0 40 FKAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225801299 FXQYWPOWZNCWGC-JOCHJYFZSA-N 357.494 5.408 0 40 FKAB Cc1ccccc1C1(NC(=S)Nc2ccc(F)c(Cl)c2)CCCC1 225856620 XHCLJIUNTQEGAS-UHFFFAOYSA-N 362.901 5.543 0 40 FKAB CCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225870308 OZEKDKSZKMWUOY-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB Cc1cc2nc(-c3ccc(N4Cc5ccccc5C4=O)cc3)oc2cc1C 226287236 KSGBRHJVULZOLH-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 409093745 AVSJBSSBUFIAFW-UHFFFAOYSA-N 368.264 5.314 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1 409114322 GXVYVJBBSJEQBQ-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 409121299 YZXXVVKMZSXUGE-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COc1cccc2cc(C(=O)N[C@H](C)Cc3csc4ccccc34)oc12 575619416 DWAGPKRYYJJBED-CYBMUJFWSA-N 365.454 5.017 0 40 FKAB Cc1nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1Cl 685937517 IBHSRNBWFJVJPZ-UHFFFAOYSA-N 356.697 5.239 0 40 FKAB CCOc1ccccc1NC(=O)NCc1cc(-c2ccsc2)cs1 1775969841 NVEVKXRPBSXPCU-UHFFFAOYSA-N 358.488 5.197 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 940182 HQDJWRNTDOJBCL-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1 1326982 NEBWPDMSEQCVBW-UHFFFAOYSA-N 367.543 5.181 0 40 FKAB aggregator FC(F)(F)c1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cs1 1415808 ZZPWTGRXLAOEHU-UHFFFAOYSA-N 361.348 5.275 0 40 FKAB CC(C)Sc1nncc(-c2cc3c(c(SC(C)C)n2)CCCCC3)n1 2170419 ATZILJCRXVRLGJ-UHFFFAOYSA-N 374.579 5.204 0 40 FKAB Cc1ccc(COc2cccc3c2CCN(Cc2ccccc2C)C3=O)cc1 2716568 OPDJVCYGYHJEPI-UHFFFAOYSA-N 371.480 5.081 0 40 FKAB COc1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)c(OC)c1 3326370 LXTOBEAZAHSKRA-UHFFFAOYSA-N 364.829 5.363 0 40 FKAB Cc1cc(C)cc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 3353406 NZKSRIXEMOFQOE-UHFFFAOYSA-N 359.292 5.933 0 40 FKAB Cc1ccc(C)c(-c2nc(NC(=O)c3ccccc3Cl)sc2C)c1 4893295 BFMRIXZIFAMDPX-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(F)cc2)o1 5013878 CEBYWVXAYJTYRW-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB COc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 5361589 KZAQQAKROSQFHR-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 6629496 RYVJETPYSMCGOI-BOPFTXTBSA-N 374.893 5.194 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 6949672 UKUYULAEJXIFJQ-UHFFFAOYSA-N 372.921 5.649 0 40 FKAB CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc21 8091842 WQURMBPUJUDBOY-RVDMUPIBSA-N 370.235 5.770 0 40 FKAB O=C(NCc1ccccc1)c1ccccc1CSc1nc2ccccc2o1 8326530 USHOILGHAZGLLJ-UHFFFAOYSA-N 374.465 5.050 0 40 FKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nc2c1 12651248 BYGXGRFXORMFAP-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 14396804 REXKMGDIORWTSZ-OAHLLOKOSA-N 367.832 5.538 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 18238981 XBBMQDBYVHYADN-UHFFFAOYSA-N 355.340 5.018 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](CC)c1ccc(C)cc1 20493381 QALVBDMHKZFCEW-VXKWHMMOSA-N 361.485 5.573 0 40 FKAB Cc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)CC(C)(C)C2 20796705 KWNCVDMMSUMXTR-UHFFFAOYSA-N 363.436 5.219 0 40 FKAB CCc1cccc(C)c1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237691 UDUJTTHSYBQZGJ-UHFFFAOYSA-N 365.502 5.343 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(F)cc1 27580230 AAQNSNPFTHUJFN-UHFFFAOYSA-N 355.434 5.133 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)N(C)[C@H]3CCCc4ccccc43)o2)cc1 29258424 IIGDLWHQZBWSOI-NRFANRHFSA-N 373.452 5.299 0 40 FKAB FC(F)Oc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C(F)(F)F 58477738 ATPHJWYWGIRLQM-QGZVFWFLSA-N 371.349 5.474 0 40 FKAB CC(C(=O)Nc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1 59399481 GNCVHVYECMATDZ-UHFFFAOYSA-N 370.279 5.938 0 40 FKAB O=C1CC[C@H](Sc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 65090576 AVBBTMMRNYBDIZ-JTHBVZDNSA-N 359.494 5.716 0 40 FKAB Fc1cc(Cl)ccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71326276 IMWLSXLACWCFBS-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB CN(C)[C@@H](CNCc1sc2ccccc2c1Cl)c1ccsc1 71844485 VTLDDZAYCJLKDU-AWEZNQCLSA-N 350.940 5.009 0 40 FKAB CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214864 BRVWSOQKNJLNMK-SFHVURJKSA-N 361.530 5.169 0 40 FKAB Cc1ccc(CN2C(=O)S/C(=C\c3cccc4ccccc34)C2=O)cc1 106703810 ZZSHQMJZJRPELE-MOSHPQCFSA-N 359.450 5.385 0 40 FKAB COc1ccc2oc(-c3ccc(-c4nc5cc(OC)ccc5o4)cc3)nc2c1 216287280 WGDADLWTFJSWOG-UHFFFAOYSA-N 372.380 5.320 0 40 FKAB CC(C)c1ccc(CCCNC(=O)COc2ccccc2C(C)C)cc1 222815147 XQQXFPKQUXTRPX-UHFFFAOYSA-N 353.506 5.061 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)ccc1Cl 222858637 ILQAAACJEPIJNB-KRWDZBQOSA-N 373.924 5.288 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CCCC2)cc1 222967670 NVTLDTGPEZLDFG-NRFANRHFSA-N 367.489 5.421 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 223032881 RXCKMEYUDHCIAK-SFTDATJTSA-N 373.924 5.690 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1 224085955 KXCAZUKKSJDLKL-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 225486042 DFDCARXJUGEIOU-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB Fc1ccc(CSCCCNC(=S)Nc2ccccc2Cl)cc1 225614334 XZVNMOANZBEPAD-UHFFFAOYSA-N 368.930 5.089 0 40 FKAB Cc1cc(C)cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225842547 ZLROXHKOLYLRPN-UHFFFAOYSA-N 358.938 5.713 0 40 FKAB COc1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226343309 PARNDOUVGBPGOD-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 408771205 FYTJOUUABSSBES-UHFFFAOYSA-N 361.510 5.989 0 40 FKAB COCCn1ccc2c(NC(=O)Nc3cccc4ccccc34)cccc21 524733414 PSPDHQSBAXOPBI-UHFFFAOYSA-N 359.429 5.085 0 40 FKAB Cc1cc(C)c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)sc2c1 1775977964 YYKYKZYQFOCJRF-HUUCEWRRSA-N 356.878 5.309 0 40 FKAB Cc1cccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682403 OHINENBVGXXKCP-JTQLQIEISA-N 358.652 5.361 0 40 FKAB Clc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1 704329 XCNHNFYVXZBZCP-UHFFFAOYSA-N 359.905 5.103 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)cc1OCC 936328 JJNNMPGQBRZFSH-WYMLVPIESA-N 367.489 5.568 0 40 FKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CC3)c(Cl)nc12 1364890 STIFMECCFLVPOA-UHFFFAOYSA-N 364.876 5.135 0 40 FKAB Cc1ccc(CSc2ncc(-c3cccc(C(F)(F)F)c3)cn2)cc1 1400834 VKHQLRLEVGCJOS-UHFFFAOYSA-N 360.404 5.763 0 40 FKAB CCCCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1781037 QWHMBWXEJADPDX-UHFFFAOYSA-N 352.261 5.815 0 40 FKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCO[C@@H](C(C)C)C1)Cc1ccco1 2109291 VZERSZHVJOABSL-YADHBBJMSA-N 363.542 5.276 0 40 FKAB biogenic CCCCCCNc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 2272010 AIFMTCKTPSFZBS-UHFFFAOYSA-N 354.523 5.419 0 40 FKAB Cc1ccc(C)c(Nc2ncc(-c3nc4cc(Cl)ccc4o3)cn2)c1 3030980 LVQPJRAGTQWZCR-UHFFFAOYSA-N 350.809 5.299 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1cccc(Cl)c1Cl 3294338 CZDDXRUOXANXJA-FNORWQNLSA-N 362.039 5.919 0 40 FKAB Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1 3337331 NLHCAUFXFQZGJO-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB Cc1cc(C)c(C(=O)COc2ccc(Cl)cc2Br)c(C)c1 3363997 LSLGWWBNNRGHEM-UHFFFAOYSA-N 367.670 5.289 0 40 FKAB CC(C)(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)sc1=S 3844510 SZYKVYWJLGTTQU-UHFFFAOYSA-N 353.727 5.921 0 40 FKAB biogenic Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1C 4554526 ILDCGMCRTJQWCD-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCc2ccccc21 4881148 MROMSZYFWCJKQE-UHFFFAOYSA-N 373.239 5.241 0 40 FKAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1 5552711 XCOFEAMWFGBQGC-SXGWCWSVSA-N 354.818 5.062 0 40 FKAB Clc1ccc(OCc2nc3ccccc3s2)c(C2CCCCC2)c1 6601729 XLKOPBREFHVGNZ-UHFFFAOYSA-N 357.906 6.576 0 40 FKAB C[C@@]12CC3CC(NCc4ccc(-c5cccc(Cl)c5)o4)(C1)C[C@](C)(C3)C2 7524808 NNSKDIWBPNNLLN-QLOAFGCXSA-N 369.936 6.439 0 40 FKAB Cc1nc(SCc2c(C)noc2C)c2c(-c3cccs3)csc2n1 7778143 CMNKFIOJYFUWHE-UHFFFAOYSA-N 373.528 5.625 0 40 FKAB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)C(F)(F)F 8053873 SRXYQGADKPLDCR-UHFFFAOYSA-N 356.756 5.118 0 40 FKAB CCC[C@@H](C(=O)N(c1ccccc1)c1nc(C)cs1)c1ccccc1 9166117 KCIQLHSGVZFMNP-LJQANCHMSA-N 350.487 5.700 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccs2)cc1Cl 12543677 HWYNMYAKEHUAQH-GOSISDBHSA-N 370.861 5.181 0 40 FKAB CC(C)CCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 12656800 KSTALLAYKDKHDF-UHFFFAOYSA-N 363.288 5.968 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 14258138 BTZHOMKXVXGMIX-LLVKDONJSA-N 352.261 5.768 0 40 FKAB Clc1ccc2c(NC3CCC(NC4CCCCC4)CC3)ccnc2c1 28706435 FTQCIXDQYNLVGY-UHFFFAOYSA-N 357.929 5.534 0 40 FKAB CCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 32223378 PBIFTROFCZATFC-UHFFFAOYSA-N 354.456 7.075 0 40 FKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccco2)C1 54387966 YDCRGUPMFQDCQS-UHFFFAOYSA-N 361.397 5.042 0 40 FKAB COc1ccc(N(C(=O)c2cc3ccccc3s2)[C@H](C)C2CC2)cc1 58147345 BITYTKFFRXZKJO-CQSZACIVSA-N 351.471 5.355 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1 61997120 MMRJAXKMDWIRQA-UHFFFAOYSA-N 370.836 5.426 0 40 FKAB CCCCCn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67259032 WKPOAFBYXANFCE-UHFFFAOYSA-N 374.456 5.157 0 40 FKAB CC1(C)CC2=Nc3onc(C(C)(C)C)c3[C@H](c3cccnc3)C2=C(O)C1 102736789 CBWATKVSINCVSD-OAHLLOKOSA-N 351.450 5.217 0 40 FKAB CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118929290 KYOSVBVRSIAGAV-ANWLCXSCSA-N 360.538 5.166 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)ccc1C)c1ccc(C)c(C)c1 219379002 XRAAVCKTVMFJOK-LEWJYISDSA-N 353.506 5.345 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223377523 WHNVCUCWDDSBND-KRWDZBQOSA-N 369.505 5.325 0 40 FKAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224428341 VUNWJFKKWJMHSZ-AWEZNQCLSA-N 361.397 5.001 0 40 FKAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(C)cc1 225355626 PRGWTEVUDGZMGK-GOSISDBHSA-N 350.289 5.502 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225499617 IVNPGFKJMZPVJW-GOSISDBHSA-N 364.461 5.047 0 40 FKAB C1=C[C@H]2[C@H](CC[C@H]3[C@H]4C=CC=C[C@@H]4[C@@H]4C=CC=C[C@H]34)[C@@H]3C=CC=C[C@H]3[C@H]2C=C1 299888298 DMENCZPZLSKLMQ-KPRXGXHWSA-N 366.548 6.460 0 40 FKAB CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 408999441 CVGHIAPTFJXXSN-QFIPXVFZSA-N 374.459 5.894 0 40 FKAB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)Nc4ccccc43)c2c1 409111174 ARGUUGDAFAGYLQ-ZHZULCJRSA-N 359.425 5.130 0 40 FKAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3)c(C)cc2c1 801493 GDCOBWQZBPWMEH-OAHLLOKOSA-N 366.486 5.061 0 40 FKAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12 896243 GNWRITXMYOSJMI-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 1397767 VRWPWKKRDRVORF-ZMZPIMSZSA-N 354.277 5.089 0 40 FKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 1413957 CMYOAXQHBRDCDT-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1cc(-c2noc(-c3cccc(Br)c3)n2)c2ccccc2n1 1423801 QSEHLAPZONNODZ-UHFFFAOYSA-N 366.218 5.023 0 40 FKAB c1coc(C2(c3ccc(C4(c5ccco5)CCCCC4)o3)CCCCC2)c1 1453183 XLFLTUDKRCMWKS-UHFFFAOYSA-N 364.485 6.966 0 40 FKAB CCCCOc1ccc2c(=O)c(-c3c(C)oc4ccccc34)c(C)oc2c1 1746244 SQXQLQYSLYZOPN-UHFFFAOYSA-N 362.425 6.002 0 40 FKAB C=C1C(CC)=C(c2ccccc2)N=C(c2ccccc2)N1c1ccc(C)cc1 2333656 NCTTTWJKQSQFCX-UHFFFAOYSA-N 364.492 6.597 0 40 FKAB C[C@@H](Oc1cccc(Oc2ccccc2)c1)C(=O)c1ccc(F)c(F)c1 2726089 OKTTYNHSKAWOQN-CQSZACIVSA-N 354.352 5.407 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 2737619 FJMFONANYZJUKU-KGLIPLIRSA-N 365.539 5.205 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)(C)C)ccc1-2 3082325 KUYSYEJQSGDZQM-UHFFFAOYSA-N 364.489 5.227 0 40 FKAB Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 3140507 DAAJXNFZCRJXIT-UHFFFAOYSA-N 351.453 6.171 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 3850262 ZKGCEXPUCJDWMB-NVLAUVAKSA-N 374.565 5.715 0 40 FKAB Fc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1-c1ccccc1 4013998 JGJRZNLOJSCAKM-UHFFFAOYSA-N 367.729 6.352 0 40 FKAB Clc1ccc(C2=Nc3ccccc3N[C@H](C(Cl)(Cl)Cl)C2)cc1 4277050 SNHMOUTVZLFRSB-HNNXBMFYSA-N 374.098 6.015 0 40 FKAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4303108 SVNFXYVWHXDRJE-PXNSSMCTSA-N 350.418 5.130 0 40 FKAB CC[C@@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1cc2c(cc1Cl)OCO2 4748217 DHABYFASWXICCE-JOQOYGCGSA-N 364.869 5.301 0 40 FKAB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(-c2ccccc2)cc1 5021773 KQAWCXBXAAAATO-SILNSSARSA-N 350.421 5.008 0 40 FKAB CCN(CC)CCC[C@H](C)Nc1nccc(/C=C\c2ccc(Cl)cc2)n1 5121143 DLTXCRZUQNDKJW-QFSNBGPKSA-N 372.944 5.223 0 40 FKAB ClC1(Cl)[C@@H]2[C@@H](c3ccccc3)c3ccccc3O[C@@]21c1ccccc1 5604410 OHYNJWCJIONDAU-HBMCJLEFSA-N 367.275 5.910 0 40 FKAB CCc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 5678239 JSIGCMSWZJGWDV-RMKNXTFCSA-N 350.245 5.216 0 40 FKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)Oc1ccccc1 6169119 QXCRCCNGGOFQBT-INIZCTEOSA-N 353.491 5.039 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 6844588 WILBRYLNDNQKEU-UHFFFAOYSA-N 374.651 5.306 0 40 FKAB CN(Cc1ccco1)C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 8342499 GLRSAZNUSDYVRA-UHFFFAOYSA-N 371.889 5.498 0 40 FKAB O=C(Oc1ccc(Cl)cc1Br)c1ccc2ccccc2c1 13137672 LERTXYWGMWIVMM-UHFFFAOYSA-N 361.622 5.475 0 40 FKAB Fc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2)cc1 16480564 CQGJLLDMSJWGRE-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Cc1cccc(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)c1 17075308 OUBATRMCAHZLMT-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB O=C1CS[C@H](c2cccc(Cl)c2)N1c1cccc(C(F)(F)F)c1 19926928 LYOWXRMXPZCSPB-OAHLLOKOSA-N 357.784 5.137 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 20460820 VHKMGDKYOTZFFG-UHFFFAOYSA-N 366.313 5.206 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 22258097 XXIJSVCKISMWHG-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB Cc1ccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1C 22479703 UTEQIBFKXYAZTP-UHFFFAOYSA-N 363.442 5.817 0 40 FKAB Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=O)CC(C)(C)C2 32932004 QDJGGFYPDGYGQE-UHFFFAOYSA-N 366.244 5.302 0 40 FKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 37143095 ZRDNYDXCAGTFIG-UHFFFAOYSA-N 371.440 5.072 0 40 FKAB COc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 67321957 APAMFEFYIVXBKR-UHFFFAOYSA-N 361.264 5.325 0 40 FKAB Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C 216572854 XLYCJYUXHVILMW-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(Cl)c1 223135076 SVTONOHQRBLMMZ-FQEVSTJZSA-N 357.881 5.323 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccc(F)cc2)on1 224069299 PKPCIGFZLKWGOC-UHFFFAOYSA-N 372.399 5.000 0 40 FKAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2N)c1 225177863 KOXGIFLOSALGLT-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(C)c(C)c2)c1 225602777 HTCVZQQLVPXBJI-UHFFFAOYSA-N 358.576 5.222 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247417121 QMRDTBCVNBSBEQ-VRIGVRMUSA-N 369.464 5.835 0 40 FKAB Cc1ccc(-c2c3c(nc4c2[C@H](O)c2ccccc2-4)CC(C)(C)CC3=O)cc1 408990056 VBZGLCYYRWVNOM-XMMPIXPASA-N 369.464 5.274 0 40 FKAB CCc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 409116058 KKFQUPPFWRYWLX-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)c1 706205 LCVMYWVVPLOTCY-NRFANRHFSA-N 362.860 5.728 0 40 FKAB Nc1ccc(-c2nc3cc4sc(-c5ccc(N)cc5)nc4cc3s2)cc1 821794 MYQYGIKFEFIQCP-UHFFFAOYSA-N 374.494 5.404 0 40 FKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl 840269 ZQAQDOSESHSOIY-OSXLHZELSA-N 373.883 5.822 0 40 FKAB c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 984744 LASKWMUSQSNFHU-VGSWGCGISA-N 359.519 6.376 0 40 FKAB O=c1oc2cc3occ(-c4ccc5ccccc5c4)c3cc2c2c1CCC2 2213809 QDKPSIABHMUZQR-UHFFFAOYSA-N 352.389 5.848 0 40 FKAB CCCCc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O 2370833 ZNZNEBHLGNRYNV-UHFFFAOYSA-N 356.849 5.676 0 40 FKAB CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccs2)n1 2426417 YWZMSAFFFGUJDE-UHFFFAOYSA-N 363.442 5.234 0 40 FKAB CC(=O)c1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 2629295 JRLSGORXJHQDBY-UHFFFAOYSA-N 354.409 5.600 0 40 FKAB Cc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc(Br)cc12 2658216 LJHMFBCCHOMZMN-UHFFFAOYSA-N 366.161 5.034 0 40 FKAB Cc1ccc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)sc2c1 3236240 DQCHUJOODBWDKH-UHFFFAOYSA-N 370.905 5.709 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccc(Cl)cc2)CC1 3458681 BFFJZIYXVHGEFG-UHFFFAOYSA-N 361.872 5.277 0 40 FKAB CCCCCC[C@@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC 4322916 MPYSXPHSCSBUPX-ZYQDXHPFSA-N 365.561 6.190 0 40 FKAB COc1cccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 4979964 UUBVGLVFUDNPKS-UHFFFAOYSA-N 361.828 5.499 0 40 FKAB O=C1CCCC[C@@H]1Sc1nnc(-c2sc3ccccc3c2Cl)o1 6091508 ONUCGXQQHDGFHW-LBPRGKRZSA-N 364.879 5.209 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2C)cc1 6938396 WCZIXJICUVWOEE-QGZVFWFLSA-N 368.521 5.372 0 40 FKAB Cc1ccccc1CSCCNC(=O)c1ccccc1SC(C)C 8041315 YBPOSABUGAORPC-UHFFFAOYSA-N 359.560 5.159 0 40 FKAB O=C(c1cc2ccccc2o1)N1CCc2sccc2[C@@H]1c1ccccc1 8115252 YZLRWDJSEFLGOM-NRFANRHFSA-N 359.450 5.282 0 40 FKAB CC[C@@H](C)NCc1c(OCc2ccccc2Cl)ccc2ccccc12 8325871 ZORQZELOXQEMRH-MRXNPFEDSA-N 353.893 5.960 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3ccccc3o2)cc1 12658220 BQLWKLDPCHHIPP-LYBHJNIJSA-N 371.392 5.070 0 40 FKAB biogenic O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1Cl 14211787 MAQWHINIZYTCEJ-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Cl 14401757 ZAMYADAOMIFTED-LBPRGKRZSA-N 366.288 5.697 0 40 FKAB Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(Br)c1 15315698 CVDOELKLKJHUII-UHFFFAOYSA-N 364.670 5.081 0 40 FKAB CC(C)Oc1ccc(CN[C@H](Cc2cccs2)c2nccs2)cc1 19450702 IFUDGRWUZUNCHD-GOSISDBHSA-N 358.532 5.065 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 20408017 GQVFSAOTFVULFG-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB Cc1ccc(COC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1 28578657 OAVQAWOEZOCODL-UHFFFAOYSA-N 372.420 5.677 0 40 FKAB Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)cc(=S)oc12 30822715 HKEDXNXJVFUQDO-UHFFFAOYSA-N 368.457 7.551 0 40 FKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(Cl)cc3)o2)cc1C 33027696 ZKEDGHFOZMKTNG-UHFFFAOYSA-N 353.849 5.788 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 44947374 ZFTXWYIBOHAURX-OXQOHEQNSA-N 357.519 5.079 0 40 FKAB Cc1nc(C)c([C@H](C)NC(=O)Nc2ccc3nc(C4CC4)sc3c2)s1 58454057 NXYDGMDZAICFOX-JTQLQIEISA-N 372.519 5.130 0 40 FKAB CC(C)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C(C)C 72213052 URHLFWXANUCVEU-NRFANRHFSA-N 365.521 5.072 0 40 FKAB CC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118931861 LMGRIFIYAJHRKP-AKZKCKQISA-N 358.610 7.041 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Br)c1 199830240 DNZZGFPQMBNXQU-CYBMUJFWSA-N 360.679 5.175 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 224640813 DHPWRZUPCKDBGZ-UHFFFAOYSA-N 371.546 5.293 0 40 FKAB CC(C)Oc1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225356744 POWHFZDZGMCKJC-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CC(C)Oc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225375177 HTJJFTDOLAITKM-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CCC1(CC)C[C@H](NC(=S)Nc2ccc(C)cc2)c2ccccc2O1 225452773 YCTCSORRROWLEF-SFHVURJKSA-N 354.519 5.364 0 40 FKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1 408560646 DTECIUDKPMHSPB-QOCHGBHMSA-N 374.868 5.079 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 408623972 VZFWKRJHMFYWSJ-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB CC1(C)Cc2c(ccc3ccccc23)-c2nnc(-c3ccc(Cl)cc3)n21 805743 WZTJVAFTWIUWDQ-UHFFFAOYSA-N 359.860 5.710 0 40 FKAB Cc1cc2cccc(C)c2nc1SCC(=O)Nc1cccc(Cl)c1 892204 GMQZZWAVFBLMPX-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C(C)C)cc1 1265559 YZWOVKFXYXXHQA-RMKNXTFCSA-N 364.272 5.777 0 40 FKAB CCOC(=O)c1sc(=S)sc1SCc1ccc(Cl)cc1 1391579 LUKCKAOFZNYNOF-UHFFFAOYSA-N 362.950 5.661 0 40 FKAB C[C@@H]1CCc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)csc2C1 1454232 YLMKCGFZRHQBET-SNVBAGLBSA-N 355.381 5.024 0 40 FKAB CN1C(=O)/C(=C\c2ccccc2)N=C(c2ccccc2)c2cc(Cl)ccc21 1611975 YMSALVLONPNEHD-XSFVSMFZSA-N 372.855 5.195 0 40 FKAB CCCCCCOc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 2886906 DJMFOKWOUUQHJO-UHFFFAOYSA-N 352.430 5.428 0 40 FKAB Cc1ccc(C)c(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 3344475 OPRFIVLMCQUKCA-UHFFFAOYSA-N 368.527 5.162 0 40 FKAB COc1ccc(C(C)=O)c(OC(=O)CC(c2ccccc2)c2ccccc2)c1 3352433 YPFBJUJWXCVTQU-UHFFFAOYSA-N 374.436 5.025 0 40 FKAB O=C1C[C@H](c2ccco2)Sc2ccccc2N1Cc1ccc(F)cc1 4162854 ZFBOUEKDSOCLHI-LJQANCHMSA-N 353.418 5.189 0 40 FKAB COc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2ccccc2C)cc1 4734085 PNFKSKXZDREATC-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB Oc1c(-c2ccccc2)sc2c(-c3ccccc3)nc3ccccc3[n+]12 5604462 KTGTUVATXLQXCP-UHFFFAOYSA-O 355.442 5.075 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)c(C(C)(C)C)c1 6085930 YEBYYXPVFAVEST-UHFFFAOYSA-N 373.496 5.977 0 40 FKAB CC(=O)Nc1ccc(SCc2csc(-c3ccc(C)cc3)n2)cc1 6560141 NOTUFJDHEWJULM-UHFFFAOYSA-N 354.500 5.369 0 40 FKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccccc1F 6735967 MCJBLBABKIAGLL-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccccc1Cl 6882513 HUUMPMPXMPQDPB-UHFFFAOYSA-N 368.304 5.469 0 40 FKAB O=C(O)/C(=C/c1ccc(Cl)cc1Cl)Sc1nc2ccccc2[nH]1 7342881 CPTJWRNSRIFUMD-AUWJEWJLSA-N 365.241 5.088 0 40 FKAB COc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 7652121 MBUWGTJXUMWXBZ-UHFFFAOYSA-N 370.499 5.005 0 40 FKAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 8562827 NBXGCHSZWUEGKF-KRWDZBQOSA-N 361.441 5.158 0 40 FKAB Cc1cccc(N[C@H](CC(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)c1 9239190 JCLQEDYCXSKMOS-OAQYLSRUSA-N 367.851 6.214 0 40 FKAB CCc1sc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C 9592092 XEKUNDBUVOXFOP-AWEZNQCLSA-N 356.516 5.206 0 40 FKAB Cc1ccc(N[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1C 12549354 GYABWWRPSMGDHB-CYBMUJFWSA-N 365.458 5.035 0 40 FKAB CC(C)C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 12756096 PGSXCHOIWLECBG-SFHVURJKSA-N 370.543 5.318 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)cc2C)c2ccccc2)cc1 16243028 QBLXYZRDVRROGD-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB Clc1cccc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)c1 19960716 CFMUQPXITTXVPX-UHFFFAOYSA-N 361.876 5.024 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1 20492951 NEECEUJQQHCPMD-BEFAXECRSA-N 361.938 5.348 0 40 FKAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(F)cccc3s2)cc1 25716262 PUTYWQWXFJOZEX-KRWDZBQOSA-N 355.434 5.026 0 40 FKAB Cc1ccccc1OCCCn1c(CCc2ccccc2)nc2ccccc21 26840994 JMJWNMPMYKWDJT-UHFFFAOYSA-N 370.496 5.599 0 40 FKAB CCOC(=O)/C=C(C)/C=C/C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C 26892371 HQMNCQVAMBCHCO-SYOOQBRZSA-N 354.490 5.646 0 40 FKAB COc1ccc(N(Cc2ccco2)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 27795675 RZPGVIOIIZAAIG-UHFFFAOYSA-N 365.473 5.038 0 40 FKAB CCCCc1ccc(NC(=S)N2C(=O)CSc3cc(C)ccc32)cc1 28527735 MCBCRFLQJNWUBF-UHFFFAOYSA-N 370.543 5.173 0 40 FKAB CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 33040216 WPAOCLONHUDOTL-GOSISDBHSA-N 365.521 5.239 0 40 FKAB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1 35040509 CAXTWRTZGBAKCC-MHWRWJLKSA-N 359.903 5.363 0 40 FKAB CC(C)(C)C1CCC(C(=O)Nc2cccc(Oc3ncccn3)c2)CC1 65518303 FZCAWBHMMJCALC-UHFFFAOYSA-N 353.466 5.060 0 40 FKAB CCOc1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344189 NABZKYPCYKVXPR-GJZGRUSLSA-N 350.245 5.134 0 40 FKAB CCOC(=O)c1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1C 80346117 LJHQGCOPRVOSIA-UHFFFAOYSA-N 373.861 5.741 0 40 FKAB CC1(C)CC(O)=C[C@]2(C1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 103424758 SCHHRCFWQAPNPZ-LAUBAEHRSA-N 366.486 5.250 0 40 FKAB O=C(Cc1cccc2ccccc12)N1CCS[C@H](c2cccs2)CC1 219488159 WTJRGHVBVMYYPQ-FQEVSTJZSA-N 367.539 5.151 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 222682187 VCVQCQGIGAXENN-UHFFFAOYSA-N 373.827 5.870 0 40 FKAB Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1 223448850 GOPDXSYXRGIVFK-PTGBLXJZSA-N 371.480 5.039 0 40 FKAB CC(C)c1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225045842 PQTZKVGPBNXTCP-QHCPKHFHSA-N 360.453 5.552 0 40 FKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)nc1 225769545 QGNQKDRTUHTVBC-OAQYLSRUSA-N 361.514 5.083 0 40 FKAB Fc1cccc(F)c1NC(=S)NC1(CCc2ccccc2)CCCC1 225860412 PUSWMXDKCKYMRU-UHFFFAOYSA-N 360.473 5.197 0 40 FKAB CCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)c(Cl)c2)cc1Cl 255189713 ROUIZMOAVSZQNB-UHFFFAOYSA-N 365.260 5.357 0 40 FKAB Cc1sc(=Nc2cccc(Cl)c2)[nH]c1-c1ccc(Cl)c(Cl)c1 409041587 KBLJAOFFMCCHSP-UHFFFAOYSA-N 369.704 6.244 0 40 FKAB CCc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C)cc2c1 881283 HVUIILAPDLTUOA-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)/C(Br)=C/c1ccccc1 955802 LEKNCRAIOBUFMB-WQLSENKSSA-N 371.061 5.368 0 40 FKAB FC(F)(F)c1cnc(Sc2nccn2-c2ccccc2)c(Cl)c1 1386051 ZCKAIIJLUVIMLF-UHFFFAOYSA-N 355.772 5.091 0 40 FKAB O[C@@H](CN(C1CCCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 1671902 CROCJYHTHUTVOA-FQEVSTJZSA-N 370.364 5.994 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1ccc2c3c(cccc13)CC2 1683278 OHQWHKWENCMAMO-QHCPKHFHSA-N 353.550 5.654 0 40 FKAB O=C(c1ccccc1)N1c2ccccc2Sc2cc3ccccc3cc21 1705769 AVGOWIKOHJXCCQ-UHFFFAOYSA-N 353.446 6.283 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)CNc1cccc2ccccc12 3340188 OHUQZPTZTIKQSL-UHFFFAOYSA-N 362.473 5.197 0 40 FKAB aggregator CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 4910707 IVEXNDHWLLVXFT-GOSISDBHSA-N 367.537 5.121 0 40 FKAB O=C(CSc1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1 5192051 JFYRWFRVILZUML-UHFFFAOYSA-N 366.920 5.256 0 40 FKAB CCCCOc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@H]21 6309881 UHCQYPKFXUYUOP-OXQOHEQNSA-N 357.523 5.296 0 40 FKAB O=C(Nc1nc2ccccc2[nH]1)[C@H](Sc1ccccc1)c1ccccc1 6589753 KYTSSQSUZQXXJC-LJQANCHMSA-N 359.454 5.035 0 40 FKAB COc1ccc2cc(C(=O)Nc3ccc(N4CCCC4)cc3C)ccc2c1 7780190 FUUWCXGTBZQNGP-UHFFFAOYSA-N 360.457 5.009 0 40 FKAB O=C(CCc1cccs1)N(c1ccccc1)c1nc2ccccc2s1 7989790 KLYOLQSOBIHINC-UHFFFAOYSA-N 364.495 5.655 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 8499078 OYNKCVDQGLVTAG-GOSISDBHSA-N 361.441 5.502 0 40 FKAB c1ccc(Oc2ccccc2CSc2nnc(-c3ccncc3)o2)cc1 8776975 JRAHYLWZMDWPMK-UHFFFAOYSA-N 361.426 5.216 0 40 FKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2ccc(C)cc2)cs1 12997079 BNRHUKBULUHWBQ-UHFFFAOYSA-N 368.527 5.737 0 40 FKAB O=C(COc1ccccc1)Nc1ccccc1Oc1ccccc1Cl 15710442 QLZZUJRSNORBRW-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB O=C(Nc1nccs1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 16641481 XGGQWPVVCBWSGN-UHFFFAOYSA-N 364.348 5.207 0 40 FKAB CCCCn1nc(C)c2c(C(=O)Nc3cccc(Cl)c3C)cc(C)nc21 17076030 YXHDJHHZGKTHRC-UHFFFAOYSA-N 370.884 5.062 0 40 FKAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 18007661 MZSCTLHKDZMUHZ-OKILXGFUSA-N 368.912 5.149 0 40 FKAB Clc1ccc(COc2cccc(CNC3CCCC3)c2)c(Cl)c1 22074257 ORMANYSVCBQQGJ-UHFFFAOYSA-N 350.289 5.605 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 22515848 GOQMOUHOFRDMJT-UHFFFAOYSA-N 374.720 5.827 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 30870560 OAYCCXLKMMYPIG-OXJNMPFZSA-N 357.519 5.079 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1ccccc1SC[C@H]1CCCO1 32744440 DWJHWGCIBADOCY-QGZVFWFLSA-N 367.514 5.089 0 40 FKAB CCCC/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCCC 35042024 GAGIRJQEYNCFTM-LDORSNRDSA-N 350.915 5.213 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC1CCC(c2ccccc2)CC1 35316304 JAIMCRRHMZCMCC-AJTLQJAISA-N 366.332 5.420 0 40 FKAB CCCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 38752724 WCTVDINCOWTDOI-HSZRJFAPSA-N 359.469 5.303 0 40 FKAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(Cl)c(Cl)c2)o1 40544952 JIOYRLJJAURIFW-DUXPYHPUSA-N 362.006 5.114 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 52410561 GQPONZYEPMHHAU-UHFFFAOYSA-N 371.651 5.248 0 40 FKAB CC(C)Sc1ccc([C@@H](C)NC(=O)c2occc2Br)cc1 98008884 HUEMLQKLRVNNIV-LLVKDONJSA-N 368.296 5.034 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1F 98073296 GGTSIWHEHVFHLJ-INIZCTEOSA-N 361.416 5.107 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c23)C1 100273411 GWEZRYUFIJJLIF-DGCWBMGLSA-N 355.551 5.221 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(C)c1 222931133 ASUGJEMYDWGXJO-QFIPXVFZSA-N 367.533 5.199 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 222935217 UDWQWOWKUQONHI-FOIQADDNSA-N 357.469 5.158 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C 223392815 XSQAQPQAQWDBAV-AWEZNQCLSA-N 366.288 5.175 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2)cc1 224707500 FMKZDOYBODXKBT-HXUWFJFHSA-N 353.824 5.307 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535158 OTYGWKQYOSCKAR-UHFFFAOYSA-N 365.517 6.015 0 40 FKAB COc1ccc(C2(NC(=S)Nc3cc(C)ccc3C)CCCC2)cc1 225842123 KDRVOXUDNFDLBK-UHFFFAOYSA-N 354.519 5.068 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 226096712 NNNWAFQRCKCLIE-UHFFFAOYSA-N 372.184 5.337 0 40 FKAB O=C(O)c1cccc(NCc2cccc(OCc3ccccc3Cl)c2)c1 408610146 NYMDVOYUDRIXNF-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB COc1ccc2c(c1)CCc1sc(=Nc3cccc4ccccc34)[nH]c1-2 408891264 NSYOAFDAYJQWMA-UHFFFAOYSA-N 358.466 5.236 0 40 FKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 408911674 NQDJLCWOZSLOLZ-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB Cc1cc(C)cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 408922564 CFHRVTGZKHBYOC-RCCKNPSSSA-N 361.872 6.136 0 40 FKAB CCSc1ccccc1NC(=O)c1oc2cc(C)c(C)cc2c1CC 526052246 JETXAZSDRNTVPU-UHFFFAOYSA-N 353.487 5.976 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 859811 FKJZFINJFGJKDM-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2cc1C 932882 OZZRWWBKXZRYIO-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB Clc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 984818 YDDCEKLWCMVLRN-UHFFFAOYSA-N 355.828 5.870 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c(C)c1 1262245 MGBKXENNTUHVLU-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1 1345336 OZWGFFLOOYKSDA-UHFFFAOYSA-N 365.502 5.125 0 40 FKAB Cl[C@@]1(c2ccccc2)OCCOC1(c1ccccc1)c1ccccc1 1684661 GZCUZZBVNFDHCQ-QFIPXVFZSA-N 350.845 5.069 0 40 FKAB Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 2521561 UCLKLGIYGBLTSM-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro CCOc1ccc(NC(=O)/C(=C/c2cccs2)c2ccc(F)cc2)cc1 3215828 IAKUPLWOYBQGGS-XSFVSMFZSA-N 367.445 5.465 0 40 FKAB c1csc(-c2nc(N[C@H]3CCCc4ccccc43)c3ccccc3n2)c1 3340858 NBCOUXWOSHFNIH-SFHVURJKSA-N 357.482 5.848 0 40 FKAB Clc1ccccc1Sc1nc(-c2cccs2)nc2ccccc12 3365454 GRLXFBKQVMEFAJ-UHFFFAOYSA-N 354.887 6.163 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(C(C)=O)=CC[C@H]32)C1 4543806 MZWRIOUCMXPLKV-ZOGCLFRTSA-N 356.506 5.006 0 40 FKAB Cc1ccc2c(c1)N(Cc1ccccc1)C(C)(C)c1ssc(=S)c1-2 4785881 VZTVETGKHYXWOG-UHFFFAOYSA-N 369.580 6.770 0 40 FKAB Fc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12 4970017 PUXHUEJDDBWCEQ-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB CCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2 5459615 UMRNDDSYWWUAGV-UHFFFAOYSA-N 351.512 5.101 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1CSCC(=O)NCC1CCCCC1 5936916 WMGCKBIYWNWUIL-UHFFFAOYSA-N 361.595 5.531 0 40 FKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc[nH]1 6586696 LJWUCVRMKVFGQW-UHFFFAOYSA-N 360.438 5.312 0 40 FKAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 7643811 QESSIBVUMXNIEW-AWEZNQCLSA-N 368.477 5.073 0 40 FKAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl 8161627 OHSJCOMJUNWFMI-UHFFFAOYSA-N 361.681 5.464 0 40 FKAB CC[C@H](C)NCc1cc(Br)ccc1OCc1ccc(F)cc1 8326690 WZJGWWXCVWIENB-ZDUSSCGKSA-N 366.274 5.055 0 40 FKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)C3CCCCC3)ccc2o1 9660005 HLKGSNJOMDBXRM-UHFFFAOYSA-N 361.441 5.287 0 40 FKAB biogenic Cc1cc2oc(C(=O)Nc3nc(-c4cccs4)ns3)c(C)c2cc1C 11914749 ZHHBJDPYZVFFJL-UHFFFAOYSA-N 369.471 5.190 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 12438416 LWLNKFVUOFWRQO-JAXLGGSGSA-N 371.883 5.581 0 40 FKAB CSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1 13637433 SXVYBEQDQMIGBL-UHFFFAOYSA-N 368.465 5.333 0 40 FKAB CCOCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13648351 BGEPWSAKBJXPKV-GOSISDBHSA-N 350.506 5.423 0 40 FKAB O=C(/C=C/c1cccc2cccnc12)OCc1cc2ccccc2nc1Cl 14812521 OSIRXEXLJZODMH-ZHACJKMWSA-N 374.827 5.193 0 40 FKAB Cc1ccc(-[n+]2c(-c3cccs3)cn3c2CCc2ccccc2-3)cc1C 15953133 ZRONIXKMAMYHIM-UHFFFAOYSA-N 357.502 5.198 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20451619 UWFWMYMIOQJDBM-RTWAWAEBSA-N 369.505 5.065 0 40 FKAB Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3c2c1 21017557 MMDPLMDNWKLPSI-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cccs3)nc12 22899092 MSYSOBUDCWQJRA-UHFFFAOYSA-N 368.483 5.415 0 40 FKAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1F 24386115 NTTCSQGVQZVAQZ-KRWDZBQOSA-N 354.450 5.111 0 40 FKAB O=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1ccco1)C1CC1 29012130 IPNIDLVALLHCKL-UHFFFAOYSA-N 351.377 5.016 0 40 FKAB COc1ccc(/C=C(/C(=O)N(C)Cc2cccs2)c2cccs2)cc1 31528704 WUYVXLGVCYGQBK-QGOAFFKASA-N 369.511 5.017 0 40 FKAB Cc1cc(OCCn2c(C(F)(F)F)nc3ccccc32)ccc1Cl 40231807 SINAYGODKGOQAL-UHFFFAOYSA-N 354.759 5.096 0 40 FKAB Cc1csc(SCc2ccc(C(=O)N(C3CC3)[C@@H](C)C(C)C)cc2)n1 48300093 RHHZZTPCTUQKBV-HNNXBMFYSA-N 374.575 5.393 0 40 FKAB CN(Cc1ccc(Cl)s1)c1nc(-c2ccncc2)nc2ccccc12 58392084 GERNRAPQEQLRSF-UHFFFAOYSA-N 366.877 5.043 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1SC1CCCCC1 72217298 WAYTVOZJDMGQJA-QGZVFWFLSA-N 362.539 5.578 0 40 FKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)C(C)C)cc1 100840862 CXIUOUWMCHQPTR-XDOYNYLZSA-N 370.905 5.251 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 107040538 AOHMYPIGBYUUAR-UHFFFAOYSA-N 367.420 5.034 0 40 FKAB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)[C@@H](C)O)[C@@H]3CC[C@]2(C)C1 123438960 QUWRCMPXPZEVLG-GMSGYHKZSA-N 362.598 5.821 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1C 219047417 RSXDBVLKTRYNJB-AVRDEDQJSA-N 361.485 5.491 0 40 FKAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219053047 MLWBNTXXKAJJKI-HUUCEWRRSA-N 359.897 5.282 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(C(C)C)cc2)cc1 222903177 ZBSXLSGJFWSKQB-QHCPKHFHSA-N 367.533 5.279 0 40 FKAB COc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1Br 226249090 YMDAYTOUPZUFES-UHFFFAOYSA-N 369.218 5.057 0 40 FKAB CC1(C)Oc2c(Cl)cccc2[C@H]2O[C@H]3CCc4ccccc4[C@H]3C[C@@H]21 257310560 UFPSQYMAUDCYKT-LCLWPZTBSA-N 354.877 5.687 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CCC(=O)O1 257373167 KYUZKRJIOGSDGT-OGZVKHMWSA-N 372.549 5.022 0 40 FKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccccc2Cl)c1 409110260 ALDQUZUYYQCNAJ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1C 409111548 JGXGWGJHGDWWKW-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB CCCc1nc(C(C)C)c(C(=O)O)cc1-c1ccc(Br)cc1 585265716 ZIQOIQNLBPZYSM-UHFFFAOYSA-N 362.267 5.285 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)on2)cc1 1775975079 DGIUDFGVOUSCMQ-WBMJQRKESA-N 365.260 5.180 0 40 FKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1F 725730 ZFNNKTWVOVPTLD-HRAATJIYSA-N 360.432 5.418 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1 805980 CFKNXOCBIUVDJN-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB COc1ccc([C@H](CC(=O)c2cccs2)Sc2ccccc2N)cc1 948856 KPXQDJLSKLMPBH-FQEVSTJZSA-N 369.511 5.445 0 40 FKAB CC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(C)cc1 1023035 JFBRSUFLLSAEPK-VLXQJXAPSA-N 367.492 5.867 0 40 FKAB O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c(Cl)c1Cl 1652014 GKGKPDNYJJGJJA-UHFFFAOYSA-N 351.016 5.911 0 40 FKAB c1ccc(SC(Sc2ccccc2)c2ccc3c(c2)OCO3)cc1 1672779 CTZRGBQIQAQJIM-UHFFFAOYSA-N 352.480 5.999 0 40 FKAB in-vitro CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1686691 WDCJNWGWSPGXBU-ZAZLRJHESA-N 360.538 5.310 0 40 FKAB CCOc1cccc2cc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)oc12 2103932 ZZAQVSRSGJEAQV-UHFFFAOYSA-N 362.425 5.902 0 40 FKAB biogenic O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1 2556185 JFQNUYRZIYAXMM-FGZHOGPDSA-N 364.828 5.242 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2nc3ccccc3s2)c(C)c1 2615973 IZEQJNCPARLKOL-UHFFFAOYSA-N 356.516 5.093 0 40 FKAB O=C1c2ccccc2-c2nn(C(=O)CCC3CCCCC3)c3cccc1c23 3178646 XSTBLIHGWAXUQZ-UHFFFAOYSA-N 358.441 5.248 0 40 FKAB Cc1ccc(NC(=O)[C@@H](NCc2ccccc2Cl)c2ccccc2)cc1 3491537 RYBNXXNRPFKQLO-NRFANRHFSA-N 364.876 5.118 0 40 FKAB CCc1ccc(N2CCc3c(C)nc4c(C(F)(F)F)cccc4c32)cc1 4050995 FABYUKQGTPTMAT-UHFFFAOYSA-N 356.391 5.819 0 40 FKAB Cc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1 4069998 VGNCPCGMZTZWEH-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4oc(C)nc4C)cc3)sc2c1 4148081 FGAFWIDAGJVXRS-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB O=C(Nc1nc2c(Br)cccc2s1)c1ccc(Cl)s1 4325783 LCLPAGRIXXSTPF-UHFFFAOYSA-N 373.684 5.026 0 40 FKAB O=C(Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1)c1ccccc1 4568541 PZLBPJDGHCBREF-UHFFFAOYSA-N 364.404 5.900 0 40 FKAB Clc1ccccc1N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 5072843 CLGUIPXZPUPMMQ-OAQYLSRUSA-N 372.859 5.572 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 5863480 XLCMVWILCXLIRW-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1Cl 6152749 AHFKCPFGNHETQZ-UHFFFAOYSA-N 354.302 5.813 0 40 FKAB CCOc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1 6439804 RZAMDUZWCPQJQG-UHFFFAOYSA-N 363.442 5.492 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)o1 7538728 BUAWVNVOYFXTFF-UHFFFAOYSA-N 355.909 5.967 0 40 FKAB Clc1ccc(-c2ccc(CNC3CCCCCCC3)o2)c(Cl)c1 7539318 WSDYBKCNMWCCLB-UHFFFAOYSA-N 352.305 6.456 0 40 FKAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(Br)s1 7598832 XGAYCQJGCWNAHN-UHFFFAOYSA-N 373.684 5.026 0 40 FKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1Cl 9015289 NYFYYWPHORNXOP-GOSISDBHSA-N 373.880 5.347 0 40 FKAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2ccccc2C)CC3=O)c1 10339425 NLHYRSNAYJNYCO-KRWDZBQOSA-N 357.457 5.058 0 40 FKAB Cc1noc([C@@H](C)Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 12535703 TYGGHMQGXCKOMI-CYBMUJFWSA-N 362.458 5.288 0 40 FKAB Cc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2c(Cl)cccc12 12692788 ZCGZPKSZPQKHJS-UHFFFAOYSA-N 364.184 5.029 0 40 FKAB C=C/C(=C\C=C(/C)OCC)OCCCOc1cccc(Br)c1 14244566 UCQLHOMLMUBTLN-OMRAMHMRSA-N 367.283 5.245 0 40 FKAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3cccc(Cl)c3)c2C)cc1 17314625 JADZBAXKCRBADF-MRXNPFEDSA-N 367.924 5.361 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 20041796 HEGFQMUNVXCSRB-OAHLLOKOSA-N 373.827 5.868 0 40 FKAB CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(OC)cc1 20049794 NJSDQAASXYQIAK-GOSISDBHSA-N 363.910 5.098 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 20481485 IUFHBBZADBIEJR-SFHVURJKSA-N 374.267 5.943 0 40 FKAB CCc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)cc1 20672235 ILYKUWGWINETMX-CQSZACIVSA-N 363.436 5.082 0 40 FKAB CCOc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 30753044 CWUZQNZNWGJBJM-UHFFFAOYSA-N 361.869 5.017 0 40 FKAB COc1ccc(N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 43152622 GSCHPXDOAXOUSU-GOSISDBHSA-N 371.278 5.429 0 40 FKAB CCSc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 44946733 ZLRXPXYZMUCYEL-UHFFFAOYSA-N 361.510 5.959 0 40 FKAB CC1CCC(NC(=O)CSC(c2ccccc2)c2ccccc2)CC1 48302055 YSXTYZIOSJPNHR-UHFFFAOYSA-N 353.531 5.204 0 40 FKAB Clc1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1 58200832 MNSWTDWRCHTJOM-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 59289976 GRBQNGWIERLPKU-FPYGCLRLSA-N 371.061 5.408 0 40 FKAB O=C(CCc1cccc(Cl)c1)NCc1ccccc1-c1ccsc1 96122910 BGBKJIHOKZKGJA-UHFFFAOYSA-N 355.890 5.318 0 40 FKAB Clc1ccc(NCc2cc3ccccc3nc2N2CCCCC2)cc1 101006969 AJPDETRLXYMSOG-UHFFFAOYSA-N 351.881 5.491 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219388210 DUWVKMAZLUGMHY-KXBFYZLASA-N 361.938 5.705 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222958851 CLVPSNGDPDOPDX-QZTJIDSGSA-N 373.496 5.363 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C 223464179 JVRLLAHIPKPWCZ-MOPGFXCFSA-N 353.506 5.380 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1C 225516496 LUHVSOMAGKFAMC-GOSISDBHSA-N 365.901 5.288 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1Cl 225677090 YSGKRFDSYHVKEG-INIZCTEOSA-N 360.910 5.237 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc23)cc1N 226263207 FJXKUQHOVLHRDF-INIZCTEOSA-N 359.473 5.053 0 40 FKAB S=C(c1ccc(OCc2c(Cl)cccc2Cl)cc1)N1CCCC1 408572010 DTCUIBMDFCHHQP-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB CC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CF 1857794702 LNNDJOCGYDHOPB-OAHLLOKOSA-N 350.437 5.242 0 40 FKAB Cc1cccc(NC(=O)c2cccc(NC(=O)CCCc3ccccc3)c2)c1 2073547 CHCPIFGENHMWKH-UHFFFAOYSA-N 372.468 5.209 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Br 2135313 QBBQIACIGWBZCC-UHFFFAOYSA-N 366.686 5.652 0 40 FKAB CCCCCCSc1nc2ccccc2c(=O)n1Cc1ccccc1 2294415 RQARICFBRNKIPB-UHFFFAOYSA-N 352.503 5.117 0 40 FKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccc(Cl)c2)cc1 3067394 GUOKJPGTSZNHOB-UHFFFAOYSA-N 362.904 5.982 0 40 FKAB S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2cnccc12 3345231 IWKQRLOBCJKCHO-UHFFFAOYSA-N 371.465 5.836 0 40 FKAB COCc1c(C(=O)NC(c2ccccc2)c2ccccc2)oc2ccccc12 3417573 CWVFPVHGQAWLCT-UHFFFAOYSA-N 371.436 5.099 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccccc1 4117093 MHYNSJVWRVYYJJ-QCFAMHMHSA-N 372.512 5.540 0 40 FKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1c(F)cccc1F 4176270 STTIOUACOONEHW-UHFFFAOYSA-N 366.392 5.079 0 40 FKAB Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12 4969939 JQQLPPDMFMOONZ-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB CCc1nc(Nc2cc(Cl)ccc2OC)c2oc3ccccc3c2n1 5149830 WYMVQULUNMCPCP-UHFFFAOYSA-N 353.809 5.344 0 40 FKAB Cc1c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)nc2ccccc12 6389880 QEWAMVPNANECOW-UHFFFAOYSA-N 359.450 5.043 0 40 FKAB Cc1ccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)cc1F 7271417 URXOXRJHSQKHIH-UHFFFAOYSA-N 354.450 5.599 0 40 FKAB CCOc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504095 UFDSEMMBDHSBBS-OAQYLSRUSA-N 371.440 5.337 0 40 FKAB Cc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1C 7725457 KNVLKSNLQZQGPK-UHFFFAOYSA-N 355.441 5.028 0 40 FKAB COc1ccc(SCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 10219606 FETFPZMCYUQZGK-UHFFFAOYSA-N 356.274 5.123 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 11637155 OUKVSCIDKRJCIJ-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 14376393 PQOFJCVCLQUZAD-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17271206 GMNIKVKMDVSHFD-UHFFFAOYSA-N 366.465 5.447 0 40 FKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccccc1 18152194 MHYNSJVWRVYYJJ-UKAVVXHISA-N 372.512 5.540 0 40 FKAB aggregator COc1cc(OC)c(NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl 19201762 KVRRCBGCJPSXFI-UHFFFAOYSA-N 366.200 5.009 0 40 FKAB CCCCn1nc(NC(=O)c2ccccc2C)c2cc3cc(C)ccc3nc21 21596590 IAIAGXGQGCDLDK-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB CCOc1cccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)c1 27663452 ZZCBRBYNMHDIRO-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB CC(C)c1noc([C@@H](C)Sc2ncc(-c3ccccc3)n2C2CC2)n1 27815496 QYCNBSUNOCIXBC-CYBMUJFWSA-N 354.479 5.245 0 40 FKAB Cc1cc(NC(=O)CC(C)C)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 30826396 QTPASVOCYQJAGW-UHFFFAOYSA-N 366.461 5.617 0 40 FKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30857798 CYGXLWZPHOACRL-IIBYNOLFSA-N 369.505 5.028 0 40 FKAB Cn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nc2ccccc21 32842731 RLWCLCKNGDJFHL-UHFFFAOYSA-N 355.850 5.174 0 40 FKAB COc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1Cl 32962551 CQIBMVNKJLRRGC-UHFFFAOYSA-N 371.864 5.708 0 40 FKAB Cc1ccc2nc(-c3ccc(Nc4cc(Cl)nc(N)n4)cc3)sc2c1 33998762 DPNZREUERZPWND-UHFFFAOYSA-N 367.865 5.041 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 38771845 FKENDZCWPDTSKT-NQIIRXRSSA-N 367.533 5.636 0 40 FKAB Cc1cc(Br)ccc1NC(=O)c1[nH]c2ccccc2c1Cl 40144558 HKPUHNUABPOUPX-UHFFFAOYSA-N 363.642 5.145 0 40 FKAB CCc1cc2c(N3CCCC[C@@H]3c3nc4ccccc4o3)ncnc2s1 95446192 NQNAEPTXABLFQJ-MRXNPFEDSA-N 364.474 5.127 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@H]1C[C@H]2C=C[C@H]1C2 104085688 XUBXFJDJYYAVSB-CIUDSAMLSA-N 371.314 5.329 0 40 FKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCc2sccc2[C@@H]1c1ccccc1 104804747 IRVYYJQZXYIVKJ-JVGYHMDPSA-N 351.515 5.049 0 40 FKAB CCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 113934884 VBTDMEBCFXYILA-UHFFFAOYSA-N 370.496 5.060 0 40 FKAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222907569 OKSYEXFGHVFZPM-FQEVSTJZSA-N 355.478 5.179 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1cc2cc3ccccc3nc2s1 223129662 DPJQCBRJJUORGM-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OC(C)C 225517594 ZFTJEIRDUOINHH-UHFFFAOYSA-N 355.453 5.372 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225549256 DUCAVQNLFRJWLV-UHFFFAOYSA-N 369.480 5.682 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)c(C)c1 225711087 CHZKEROSOCFTIB-QGZVFWFLSA-N 366.452 5.760 0 40 FKAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225840082 DINRTEOZBCACOX-OPAMFIHVSA-N 357.494 5.551 0 40 FKAB O=C(Nc1cccc(Br)c1)[C@@H](c1ccccc1)C1CCCC1 633208 MOODUHUPAQFHIX-SFHVURJKSA-N 358.279 5.362 0 40 FKAB CCOc1ccc(C2=C[C@H](c3cccc(OC)c3)c3ccccc3O2)cc1 708913 FBCQMTBRYVJMGM-JOCHJYFZSA-N 358.437 5.659 0 40 FKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(F)cc1 959100 MYGUVOOZDKDNFD-UHFFFAOYSA-N 366.358 5.087 0 40 FKAB FC(F)(F)c1cc(Sc2ccc(Cl)cc2)nc(-c2ccccn2)n1 1387413 DBOFCDAHSATZCF-UHFFFAOYSA-N 367.783 5.362 0 40 FKAB Cc1cccc(Cn2c(-c3cccnc3Cl)nc3cc(C)c(C)cc32)c1 1397534 QEFSZIHZWZBXNM-UHFFFAOYSA-N 361.876 5.725 0 40 FKAB CCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2124239 RSEPBGGWRJCQGY-RRPPUSTOSA-N 356.506 5.350 0 40 FKAB biogenic CCc1cccc(C)c1NC(=O)CCCSc1nc2ccccc2s1 2621673 XCTWFMBJFYZYFU-UHFFFAOYSA-N 370.543 5.678 0 40 FKAB Clc1ccc(-c2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 3125225 IKPACHHXUMHBBW-UHFFFAOYSA-N 355.608 5.276 0 40 FKAB COc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C 3328651 SNPQEPKJCNNFMZ-FYWRMAATSA-N 358.437 5.598 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 3845754 RQNYQAQPXXMMQI-VLCRHTCISA-N 350.502 5.823 0 40 FKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Oc2ccccc2)cc1 4063149 IPYCLBPZXMEJHF-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2)N1CCCC1 4537928 PCXUKFJMKJCKEX-RSVOXEIVSA-N 372.512 5.219 0 40 FKAB c1ccc(CN(Cc2cccs2)c2ncnc3c2oc2ccccc23)cc1 4664765 CHXFDHSIZDBAHO-UHFFFAOYSA-N 371.465 5.644 0 40 FKAB CC(C)CCC[C@@H](C)CCN(CC[C@H](C)CCCC(C)C)CC(=O)O 4804073 GDMLLXZOASVDBX-NHCUHLMSSA-N 355.607 6.078 0 40 FKAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 4911405 SDXIVZPTTDNASZ-OAHLLOKOSA-N 373.880 5.236 0 40 FKAB Cc1ccc(NC(=O)CSCCC23CC4CC(CC(C4)C2)C3)cc1C 5859656 SZKZHLMCIIKQOB-UHFFFAOYSA-N 357.563 5.582 0 40 FKAB CC(C)COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 6348825 FFWLZOUTMWERIQ-UHFFFAOYSA-N 366.505 5.210 0 40 FKAB O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)Sc2ccccc21 6496340 RJAYZVOMZSKSAN-GZTJUZNOSA-N 370.882 6.414 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)C1(c2ccc(F)cc2)CCCC1 7985332 MFLSGKSCNYRAGG-UHFFFAOYSA-N 372.490 5.461 0 40 FKAB CCC(CC)C(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 8598990 UIFJQCKUFRMCFK-UHFFFAOYSA-N 351.425 5.053 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCCC2)cc1 10327873 UFMVPFUGVQIUMD-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB O=C1O[C@@H]2CCCC[C@H]2C2(CCCCC2)[C@@H]1CCCCNc1ccccc1 12657806 OZRXHOCLDHJQJT-YPAWHYETSA-N 369.549 5.951 0 40 FKAB biogenic CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 20112154 LGFFAKOBETUFFM-QGZVFWFLSA-N 361.441 5.447 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1c[nH]nc1-c1ccccc1 29112849 FIVXEGUQUNIDDI-UHFFFAOYSA-N 354.413 5.073 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1ccc(SCc2cccnc2)cc1 31674828 WUEVWBJCBTVYML-UHFFFAOYSA-N 372.852 5.419 0 40 FKAB Clc1ccccc1CSc1nc2ccc(Br)cc2[nH]1 59535461 PDRZKEXDIWGROA-UHFFFAOYSA-N 353.672 5.271 0 40 FKAB CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCC(C)CC2)s1 71326528 FXBWVWLANQYONS-UHFFFAOYSA-N 357.523 5.066 0 40 FKAB Cc1csc(C2CCN(C(=O)Nc3cccc4ccccc34)CC2)n1 72313437 DGJWQQZSRUSFNG-UHFFFAOYSA-N 351.475 5.016 0 40 FKAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1cccc(Cl)c1 85397512 OSCPLDCCIRLVQX-UHFFFAOYSA-N 373.861 5.138 0 40 FKAB Cc1cccc(-c2nc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc3n2)c1 100276594 NQADYZGRIYSBSE-UQBPGWFLSA-N 371.528 6.010 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CC(=O)NC5CCCCC5)(C4)C2)C3)cc1 100864027 PNEPEPKQCOTRMN-SCAKWATOSA-N 365.561 5.672 0 40 FKAB Cc1ccc([C@@]2(CCN[C@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 102809899 NKGXTFCIHUTLTA-SDUSCBPUSA-N 365.561 5.809 0 40 FKAB Cc1ccc([C@@]2(CCN[C@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 102809901 NKGXTFCIHUTLTA-ZODMCCGTSA-N 365.561 5.809 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222996881 KPANCGMACMETNK-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224426056 OWOJRWLNNBLMEB-LJQANCHMSA-N 374.484 5.004 0 40 FKAB CC1(NC(=S)Nc2ccc(Br)c(Cl)c2)CCCCC1 225860047 SKZPEVLGXQQALI-UHFFFAOYSA-N 361.736 5.112 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)cc1 257202372 ALMCWMALWXXSBH-IBGZPJMESA-N 367.445 5.124 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)nn2-c2ccccc2)cc1 408724262 JEKNRFUBTVDJTF-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CC(C)N(CCOc1cccc(F)c1Oc1cccc(Cl)c1)C(C)C 585266238 SLPWWUMGXYVQBY-UHFFFAOYSA-N 365.876 5.769 0 40 FKAB Cc1ccc(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1 1054639 ACWDZGDNDYVZCC-HSZRJFAPSA-N 355.481 5.557 0 40 FKAB CC1(C)[C@@H]2CC[C@@H](C2)[C@]1(O)CSCc1cccc(Oc2ccccc2)c1 1272643 CULVDJPYQHYKQJ-SELNLUPBSA-N 368.542 5.899 0 40 FKAB CC(C)N(C(=O)C1CCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1345683 KKFXTINWDKGIHD-UHFFFAOYSA-N 357.523 5.044 0 40 FKAB COc1ccc(OC)c(/N=c2\cc(-c3ccccc3)oc3ccc(C)cc23)c1 1805864 FZWYGXGNXVFKHL-LKUDQCMESA-N 371.436 5.658 0 40 FKAB C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)c1ccc(C(C)(C)C)cc1 2637651 LCKRVZFSHQLAPM-GFCCVEGCSA-N 362.828 5.205 0 40 FKAB Cc1ccccc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164028 ILPMNIYNDQGWEY-UHFFFAOYSA-N 373.392 6.712 0 40 FKAB CCCc1cc(=O)oc2cc(OCc3c(C)c(C)cc(C)c3C)ccc12 3220009 PAVAHFUBPCMCIS-UHFFFAOYSA-N 350.458 5.558 0 40 FKAB Cc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(Cl)c1 3329316 BWOKSYAAZVGGON-UHFFFAOYSA-N 359.897 5.744 0 40 FKAB COC[C@@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1 3429091 NROKYFXIWQOKMK-BQHWHHKNSA-N 356.466 5.104 0 40 FKAB CC(C)(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1 3885050 JLYYFFPVASOOPO-BMRADRMJSA-N 371.480 6.107 0 40 FKAB COc1ccc2c(CC(=O)Nc3ccccc3Oc3ccccc3)coc2c1 5509326 SDMKCZMARCZWCG-UHFFFAOYSA-N 373.408 5.415 0 40 FKAB COc1ccccc1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5676434 NKZDUSNHJJIVLF-UHFFFAOYSA-N 373.477 6.310 0 40 FKAB CCN(CC)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 5883648 UMKRQXBBEFYXRM-QHCPKHFHSA-N 358.485 5.569 0 40 FKAB COc1ccc(Cl)cc1-c1nnc(SCc2ccccc2Cl)o1 7605108 QSWONKYPUPSKOG-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB Cc1cc(SCC(=O)N2CCC[C@@H]2c2cccs2)nc2ccccc12 7988134 LJCZTUMWIPZUHL-QGZVFWFLSA-N 368.527 5.061 0 40 FKAB Cc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1C1CC1 12561524 OMAPGHAMRIHJRQ-QHCPKHFHSA-N 354.457 5.429 0 40 FKAB Fc1cccc(-c2cc(-c3ccccc3)nc3sc4c(c23)CCCC4)c1 12610094 HCRUGRXCAQFPTI-UHFFFAOYSA-N 359.469 6.648 0 40 FKAB COc1cc(C(=O)Oc2c(C)cccc2C)cc(Cl)c1OCC(C)C 13042151 RANBUBDBEFBFIX-UHFFFAOYSA-N 362.853 5.219 0 40 FKAB CC(C)Oc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 14258384 XWWUPGPYRMWJRF-UHFFFAOYSA-N 357.759 5.398 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 14396806 REXKMGDIORWTSZ-HNNXBMFYSA-N 367.832 5.538 0 40 FKAB Cc1cccc(-c2cc(Nc3ccc(Nc4ccccc4)cc3)nc(C)n2)c1 15859108 GEKPHDYLYFYWKD-UHFFFAOYSA-N 366.468 6.248 0 40 FKAB Fc1ccccc1CCNCc1ccccc1OCc1ccccc1Cl 16449564 ZDAOSRVWWSFZJA-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=O)CC(C)(C)C2 16806047 HPYTWPZUIQOJHH-UHFFFAOYSA-N 366.244 5.302 0 40 FKAB O=C(N/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccccc1 17190787 RVOAULNPGMOTQQ-ZHZULCJRSA-N 373.843 5.144 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(OC(C)C)c1 20048038 BVBAZKFPLCIYAJ-OAQYLSRUSA-N 363.457 5.423 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(CSCc2ccccc2)cc1 20238953 ZZLUWTCXQJHCPS-UHFFFAOYSA-N 351.446 5.511 0 40 FKAB CCCCc1oc2ccccc2c1CN(C)C(=O)/C=C/c1csc(C)n1 22385214 HIAXNKHVWNMBQK-VAWYXSNFSA-N 368.502 5.212 0 40 FKAB COc1ccc(C)cc1NCc1cc(=O)oc2cc(C)c(C(C)C)cc12 24829828 KWVCWEGDEJWHLH-UHFFFAOYSA-N 351.446 5.154 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 30861294 FXCDZANAEPNVJT-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB Clc1ccc(Cc2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1 33298254 KBFXJXCDPIUWJV-UHFFFAOYSA-N 367.861 5.028 0 40 FKAB Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)nc2cccc(C)n12 35616268 CCVAZXULTZZRHH-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CC(=O)Nc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 36393620 KERRGVPSZCIKGU-UHFFFAOYSA-N 365.483 5.492 0 40 FKAB COc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OC 36815592 RIPQNWOJTHJEFX-UHFFFAOYSA-N 370.674 5.040 0 40 FKAB Cc1ccc2c(-c3ccccc3)cc(-c3ccc(Br)cc3)nc2c1 79047100 BXBIZEKGBBPSNV-UHFFFAOYSA-N 374.281 6.640 0 40 FKAB O=C(CCSc1ccccc1)N(Cc1ccoc1)Cc1cccs1 90612153 DPXKIMTZYHLDIG-UHFFFAOYSA-N 357.500 5.052 0 40 FKAB Cc1nn(-c2ccc(F)cc2F)c(C)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468284 OQJWXGNIALLKNB-UHFFFAOYSA-N 364.399 5.133 0 40 FKAB Clc1cc(CSc2nnc(-c3ccccc3)o2)c2ccccc2n1 95945757 SQXIEVQLWGWHEV-UHFFFAOYSA-N 353.834 5.231 0 40 FKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 106993132 AOFRWTGCJHAQNW-UHFFFAOYSA-N 358.696 6.356 0 40 FKAB Cc1cc(-c2nc3ccc(-n4cccc4)cc3o2)ccc1Br 216743567 PXZBKVAUDQCCBE-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265693 MWQRXLIQZSZQIL-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225321529 BBDWRIDJCXOXPZ-HLIPFELVSA-N 368.571 5.454 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612280 GDNCPMQDMBBSRP-UXKSMNOYSA-N 374.521 5.018 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(F)cc1 409135043 QVYSKQHFUOBABH-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccc(C(C)C)cc1 723920 SAHMYPGRBPCDTB-NRFANRHFSA-N 361.514 6.258 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1CC)C3 2118651 OWVNRYOBFKEHNJ-UHFFFAOYSA-N 363.457 5.055 0 40 FKAB biogenic Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc4ccccc24)S3)c1 2696529 IWBDHQMFHHTLHA-LJQANCHMSA-N 371.465 5.284 0 40 FKAB Clc1ccc(-c2csc(N3CCC(Cc4ccccc4)CC3)n2)cc1 4452634 ZUZUVUHBDLLAAW-UHFFFAOYSA-N 368.933 5.923 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccccc23)cc1 4970021 VBMBVQLJMIESPM-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB CCCCCC1CCC(c2ccc(-c3ccc(CCC)cn3)cc2N)CC1 5003317 JNWBCPUTGIYCJJ-UHFFFAOYSA-N 364.577 7.137 0 40 FKAB CCOc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)ccc1O 5050807 JGQQURZTBWONIQ-UHFFFAOYSA-N 374.415 5.654 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccccc1)c1ccccc1 5680410 AWAWFWOGAYRBAG-QGOAFFKASA-N 368.263 6.173 0 40 FKAB CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 5869467 UAUCDSBEIWFFCH-GOSISDBHSA-N 372.921 5.335 0 40 FKAB Cc1ccc(F)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 8060934 MWYCHRJRNAQYJE-UHFFFAOYSA-N 360.841 5.092 0 40 FKAB CCc1nnc(-c2cc3ccccc3n2Cc2c(F)cccc2Cl)o1 9651381 UQTMLKOIWBNNJQ-UHFFFAOYSA-N 355.800 5.095 0 40 FKAB CCc1ccc(Nc2nc(C)c3nc(C)n(-c4ccc(CC)cc4)c3n2)cc1 9879871 ORMZEMWHLFCLGE-UHFFFAOYSA-N 371.488 5.301 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCCC2)cc1 10331665 VBXKCURIEJRSSL-UHFFFAOYSA-N 350.506 5.357 0 40 FKAB Cc1cccc(CSCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10334750 IFOUQUOHJAEIQM-UHFFFAOYSA-N 369.574 5.275 0 40 FKAB C[C@H]1CCCc2c1nc1sc3c(c1c2-c1cccc(F)c1)CCCC3 12610176 ZUIUDHRPTYMJKT-ZDUSSCGKSA-N 351.490 6.421 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 12805226 QNSDDNBQZXTCHR-UHFFFAOYSA-N 355.340 5.018 0 40 FKAB Cc1nc(N[C@H](C)c2ccccc2Cl)c2c3c(sc2n1)C[C@H](C)CC3 13057286 MSJPETBQYNLPPF-VXGBXAGGSA-N 371.937 5.951 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 20106207 ALDDXRFFDFPDQU-OALUTQOASA-N 367.533 5.554 0 40 FKAB CC/C=C\C/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O 29220039 MBYMHCHZLAJVRK-PDBXOOCHSA-N 370.533 6.832 0 40 FKAB biogenic,in-vitro C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2c(F)cccc2s1 32598908 WAMZSOOKUNFIBM-LBPRGKRZSA-N 372.465 5.139 0 40 FKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(-c2ccsc2)n1 32753951 MHFIUANUWGVQOF-LBPRGKRZSA-N 368.483 5.451 0 40 FKAB COc1ccc([C@H]2CCCN2Cc2ccc(OCc3ccccn3)cc2)cc1 48313269 NCWAUFQDAHEXCW-XMMPIXPASA-N 374.484 5.006 0 40 FKAB O=C(Nc1cnccc1Oc1ccccc1)c1cc2c(F)cccc2s1 58368684 PVPWWFJHQOQRFX-UHFFFAOYSA-N 364.401 5.480 0 40 FKAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 71761239 MMDQJRKMVSLINF-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2cccc3c2CCCC3)c1 71761858 MFFPMBGNWAPADR-UHFFFAOYSA-N 350.409 5.393 0 40 FKAB O=C(Nc1ncccc1O)c1sc2cc(Cl)cc(Cl)c2c1Cl 71811244 QRXCYBZTHWMJEI-UHFFFAOYSA-N 373.648 5.214 0 40 FKAB Cc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1C 113933106 ZBEZYQSSMWWKGM-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 118928031 ARYVICLZGFZHAR-KVHYGXJJSA-N 368.565 5.207 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 223011987 FMEAVPOLOBTUSZ-MRXNPFEDSA-N 368.260 5.107 0 40 FKAB Cc1ccc([C@@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2)c(C)c1 223194804 RBSXUCBQNZPJPD-DEOSSOPVSA-N 361.460 5.281 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 223457727 WYCDYLZOFILHDT-LJQANCHMSA-N 369.574 6.234 0 40 FKAB CCOc1ccc(C(=O)NC(C)C)cc1CSc1ccc(Cl)cc1 224669679 SMLKREIJDMNSDQ-UHFFFAOYSA-N 363.910 5.169 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccccc3F)ccc21 225020336 KOYDCUQTQZWEDR-UHFFFAOYSA-N 360.432 5.525 0 40 FKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225737847 QKMWESGRXMGNBL-JOCHJYFZSA-N 355.478 5.190 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C 225776760 JSWWGYJDAUYKIY-QHCPKHFHSA-N 359.469 5.222 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225905236 QUJSLNLKYNZKRR-QFIPXVFZSA-N 372.509 5.192 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 226279441 CLPGKLFDFQUHLE-CULVSFGYSA-N 360.538 5.166 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@@H]1[C@@H]2CC[C@@H]2CCCC[C@]21C 245238905 CJZNZDGODWVLOM-ZEJPXBKLSA-N 358.569 7.222 0 40 FKAB O=C(N[C@@H](c1ccsc1)c1cccs1)C1(c2cccs2)CCCC1 390826703 OROYKUNTMJNMST-KRWDZBQOSA-N 373.568 5.589 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 408585833 JEBCXLGZIQDCGZ-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2F)cc1 409114994 GHBJUVRGBXQDCQ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 409120047 UMQFMILNWCFPNF-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB CC(C)(C)Oc1ccc2c(c1)CCC(Br)=C2c1ccc(O)cc1 2362803199 MWQMBIUWVWDHKU-UHFFFAOYSA-N 373.290 5.670 0 40 FKAB CCC(=O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 1718738 ICXAWGXMPXMUKL-UHFFFAOYSA-N 351.449 6.608 0 40 FKAB O=C(Sc1ccc(SC(=O)c2ccccc2)s1)c1ccccc1 2226736 ARHWEKDTBKYEQX-UHFFFAOYSA-N 356.493 5.613 0 40 FKAB COc1cc(OC)cc(C(=O)N2c3ccccc3Sc3ccccc32)c1 2284674 DCJKETQGTMCSER-UHFFFAOYSA-N 363.438 5.147 0 40 FKAB CCCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2291974 ADKZSBODFKPYOX-UHFFFAOYSA-N 368.550 5.844 0 40 FKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 2303035 GUJAKZJANFQTKI-UHFFFAOYSA-N 351.943 5.743 0 40 FKAB Cc1cc2oc(=O)c(-c3ccc(Cl)cc3Cl)c(C)c2cc1Cl 2576866 HXEWKBYIRJXRBC-UHFFFAOYSA-N 353.632 6.037 0 40 FKAB biogenic O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc2ccccc12 2663641 UKMSFENCRWDZSM-UHFFFAOYSA-N 361.828 5.664 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 3173052 BOYLBZPVGSTXFO-UHFFFAOYSA-N 364.442 5.480 0 40 FKAB CCOc1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 3213859 FQCFFILNLHCLRQ-UHFFFAOYSA-N 353.506 5.933 0 40 FKAB O=C(CCSc1ccccc1)OCc1csc(-c2ccccc2)n1 3220272 AEAVGJRXCHBUDZ-UHFFFAOYSA-N 355.484 5.036 0 40 FKAB CC(C)[C@H](C(=O)Nc1ccccc1OC(F)F)c1ccc(Cl)cc1 3325482 SRCJPVQSKIXEIY-INIZCTEOSA-N 353.796 5.320 0 40 FKAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2ccccc2c1 4249042 RPBAROZQQHHTKX-UHFFFAOYSA-N 371.465 5.061 0 40 FKAB COc1ccc([C@H]2CC3=Nc4ccccc4N=C(C)C3=C(O)C2)c(OC)c1 4736675 KIMZAFTYNALDRA-AWEZNQCLSA-N 362.429 5.272 0 40 FKAB CC(C)CC[C@@H](CCNCc1ccc(F)cc1)c1ccc(OC(C)C)cc1 5478193 PKJMQBMPIJBJNA-QFIPXVFZSA-N 371.540 6.313 0 40 FKAB C/C=C(/C)c1cc(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2 5566294 KZPINWADEGOBQG-YVMONPNESA-N 360.793 5.116 0 40 FKAB biogenic,in-vitro O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCCC1 6208567 QJOIYGNUIPEREL-SFHVURJKSA-N 366.892 5.260 0 40 FKAB Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl 6243046 CIFNQWVKJRAUOK-UHFFFAOYSA-N 373.308 5.841 0 40 FKAB O=C(Nc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 6341273 BIBHWXIBPULHRV-UHFFFAOYSA-N 371.465 6.121 0 40 FKAB CCCCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 6752618 RHLSKRXBSXBAKA-OAHLLOKOSA-N 367.880 5.010 0 40 FKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)c3cccc(N)c3)cc2)c1 7468614 IYEVBOYKXPLDHL-UHFFFAOYSA-N 360.457 5.745 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 7779752 VNUWCSZSCUAYFZ-UHFFFAOYSA-N 373.239 5.741 0 40 FKAB COc1cccc(N(C(=O)c2ccccc2)c2nc3ccccc3s2)c1 7985225 UWWHCXXFDGPTEU-UHFFFAOYSA-N 360.438 5.283 0 40 FKAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)cc1 9882754 YWBJYHBFLAQESA-IBGZPJMESA-N 360.404 5.123 0 40 FKAB Cc1ccccc1[C@@H](C)NC(=O)c1ccccc1SCc1cscn1 12909389 WBVKFROGENUXDE-OAHLLOKOSA-N 368.527 5.235 0 40 FKAB C[C@H](OC(=O)c1ccccc1C(=O)O[C@H](C)c1ccccc1)c1ccccc1 17286857 RZHCBUNQWKVGAW-HDICACEKSA-N 374.436 5.523 0 40 FKAB Clc1ccc(-c2nc(-c3ccoc3)[nH]c2-c2ccc(Cl)cc2)cc1 18194526 QBIZKDAENTUCHG-UHFFFAOYSA-N 355.224 6.311 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 20111461 KKTBPZWHMPRRIO-AWEZNQCLSA-N 363.910 5.475 0 40 FKAB Cc1cccc(-c2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)c1 21801886 YTZJQGDLTQLBFO-UHFFFAOYSA-N 359.477 5.176 0 40 FKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1 22237710 LZTVTHXTLRVNAV-UHFFFAOYSA-N 357.866 5.125 0 40 FKAB COc1ccc(-c2nc(COc3ccccc3-c3ccccc3)co2)cc1 23055042 WSJKXMODWUUSHD-UHFFFAOYSA-N 357.409 5.596 0 40 FKAB Brc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1 50400191 KWCQSYNZPAMUOW-UHFFFAOYSA-N 359.266 6.936 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351358 OQYFCALUGPQVAK-AVRDEDQJSA-N 361.485 5.491 0 40 FKAB Cc1c(F)cccc1NC(=S)Nc1ccc(OCc2ccccc2)cc1 71325982 GKLKXIWCWVDRET-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 82112079 GDNCPMQDMBBSRP-WHCNIEAUSA-N 374.521 5.018 0 40 FKAB CCn1c([C@@H](C)NCc2cc(F)cc(C(F)(F)F)c2)nc2ccccc21 97020291 HUEYUIBZUXCWCB-GFCCVEGCSA-N 365.374 5.065 0 40 FKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C1CCCCCCC1 102730566 NWSWXASWNOXKRX-UHFFFAOYSA-N 367.518 5.485 0 40 FKAB CCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1 136799879 AYFPNRLYKGMWJN-UHFFFAOYSA-N 350.399 6.984 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2ccccc2c1 222796970 PTGTUNOKOHQWKJ-DEOSSOPVSA-N 369.464 5.467 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC(C)C)cc1 222923845 XTNILNSQFSJAPF-OAQYLSRUSA-N 369.505 5.567 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCC(C)CC1 225857179 LAHHAUNFHGILEI-UHFFFAOYSA-N 355.478 5.162 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)c(C)n1 225910172 CFMANWMSMDUUCE-UHFFFAOYSA-N 362.514 5.027 0 40 FKAB CC1(C)Oc2c(Cl)cccc2[C@H]2O[C@H]3CCc4ccccc4[C@@H]3C[C@@H]21 257310561 UFPSQYMAUDCYKT-QGZVKYPTSA-N 354.877 5.687 0 40 FKAB O=C(CCCc1ccccc1)NCCc1ccc(-c2ccsc2)s1 575414115 ZHBJFUPUGBEFBS-UHFFFAOYSA-N 355.528 5.158 0 40 FKAB O=[P@@]1(Nc2ccccc2)OCCCN1Cc1ccc(Cl)c(Cl)c1 1674396 UQRUMXNNLCPJRN-QHCPKHFHSA-N 371.204 5.436 0 40 FKAB Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)ccc1Br 4575387 LSDXZVUPYVKDCZ-UHFFFAOYSA-N 367.242 5.644 0 40 FKAB CC[C@@H]1CSC(N(CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)=N1 4614677 KDCFLOWZJFVGLQ-QGZVFWFLSA-N 372.921 5.219 0 40 FKAB c1ccc([C@H]2COC(c3cc4ccc3CCc3ccc(cc3)CC4)=N2)cc1 4667308 VZULFXOISGPNRU-XMMPIXPASA-N 353.465 5.089 0 40 FKAB Cc1cc(SCC(=O)Nc2ccccc2Cl)nc2c(C)cccc12 5582690 UNASVUASWOOIJZ-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 6744350 VBWAQBZDGGCZAO-ZEYOQAPRSA-N 363.542 5.079 0 40 FKAB C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cc2ccccc2o1 8239067 BVFBGPNVRYPLOJ-ZDUSSCGKSA-N 369.511 5.402 0 40 FKAB O=C(c1cc2sc3ccccc3c2s1)N1CCC[C@H](C(F)(F)F)C1 10289644 DWDHNYGGISEYQV-JTQLQIEISA-N 369.433 5.531 0 40 FKAB Cc1cc(-c2csc(NC(=O)CCC(=O)c3ccccc3)n2)c(C)s1 10520567 MJYSLNKCOBSBRY-UHFFFAOYSA-N 370.499 5.090 0 40 FKAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1c(C)cc(C)cc1C 12558717 LISSGTGEURXBCS-DQRAZIAOSA-N 352.503 5.403 0 40 FKAB CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1 14122219 VCVQFEZMBPLTQX-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1C 20459373 OVDFMTPYYJJSCP-HXUWFJFHSA-N 353.849 5.598 0 40 FKAB COc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12 21017312 ZBHJZZQONGLDPV-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(-c2ccccc2Cl)o1 33870295 XBPWFBQCDHSJFG-BOPFTXTBSA-N 367.763 5.084 0 40 FKAB CCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c(Cl)cc1O 36612587 FVIJOINFORLWCZ-HNNXBMFYSA-N 367.832 5.072 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 44949556 PUUWKKOOCIOIPR-AWEZNQCLSA-N 374.720 6.156 0 40 FKAB C[C@@H](Nc1ccc(NC(=O)c2cccnc2)cc1Cl)c1ccccc1 48355572 IOBDNHPKEWIYNH-CQSZACIVSA-N 351.837 5.160 0 40 FKAB Fc1ccc(-c2csc(Nc3cccc(Cl)c3Cl)n2)c(F)c1 67321975 KBTJPHFYNLCLNF-UHFFFAOYSA-N 357.212 6.139 0 40 FKAB CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215564 CDOLGYMFRHXHKG-IBGZPJMESA-N 373.541 5.313 0 40 FKAB Nc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 73639106 DSSWZGDMTOCRPQ-UHFFFAOYSA-N 365.230 5.507 0 40 FKAB CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 108371100 DVFGELBPMWYQMT-AEFFLSMTSA-N 361.530 5.169 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 225660608 FOLNDFIAAUHBHY-LIRRHRJNSA-N 361.938 5.651 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225810174 TYRPLQIRYDXXHS-DGGJZMOXSA-N 369.505 5.551 0 40 FKAB Cc1ccc(C2(NC(=S)Nc3ccc(F)c(Cl)c3)CCCC2)cc1 225856669 NNLDWAWFODJKCD-UHFFFAOYSA-N 362.901 5.543 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)c1 248329668 DRSPVCXBVVVLIJ-HKDUHGGJSA-N 356.506 5.659 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(Cl)c1 408585771 IGLISSSDXUCLMJ-UHFFFAOYSA-N 352.261 5.733 0 40 FKAB Cc1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 408604622 VTEZPYDDQQXWDI-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409122716 BDRRKRJAVBNLEE-QGOAFFKASA-N 357.519 5.601 0 40 FKAB COc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)Nc3ccccc32)cc1 832678 MFBDWJPPFCAIQR-UZUQRXQVSA-N 372.468 5.287 0 40 FKAB CCc1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 950677 YXRIQPZJLKOPNU-UHFFFAOYSA-N 372.420 5.727 0 40 FKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 1099974 YAYJPMSXILPHTP-UHFFFAOYSA-N 366.848 5.453 0 40 FKAB COc1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1Cl 1406870 RSWLEACAKUYIDZ-UHFFFAOYSA-N 363.269 5.610 0 40 FKAB Fc1ccc(-c2csc(N3CCC(Cc4ccccc4)CC3)n2)cc1 2190589 FREXPOJOKVSWSQ-UHFFFAOYSA-N 352.478 5.408 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 2517195 KBEGKOWJWAFXCV-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB CCN(CC)C(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2769107 REGWAZOORBIOIS-UHFFFAOYSA-N 352.865 5.346 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 4031674 SEDIJZWBZVHTCP-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB CCCCCC[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC 4322917 MPYSXPHSCSBUPX-JBXUNAHCSA-N 365.561 6.190 0 40 FKAB C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4555390 NDHOPVCXDQDCPC-JNSABCDYSA-N 357.497 5.072 0 40 FKAB O=C(Nc1ccccc1Cl)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4852574 IZWQCYGTDFVOLL-VOYPLFDMSA-N 358.696 5.135 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 6645971 RNHLEHMBXKICEM-UHFFFAOYSA-N 357.803 5.514 0 40 FKAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 7572819 UXKSLSLIHXVILW-UHFFFAOYSA-N 354.500 5.483 0 40 FKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)cc1 8020177 BXGBXEMPJVOKOQ-UHFFFAOYSA-N 374.223 5.708 0 40 FKAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 9239276 AIYCAMZKOAOHGX-QHCPKHFHSA-N 370.496 6.064 0 40 FKAB Cc1ccc(CSCCNC(=O)CCc2ccc(C(C)C)cc2)cc1 10337695 XRCUDCCTOKWWAD-UHFFFAOYSA-N 355.547 5.101 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2cccc(Cl)c2)cc1 11914727 HROCVYMNXNPIKX-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB Cc1ccc(CN(C)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)o1 12901469 WCPHNGUXDSRKKC-UHFFFAOYSA-N 354.475 5.107 0 40 FKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)cc1Cl 13668426 KAXNLOYXEQNGET-UHFFFAOYSA-N 350.245 5.567 0 40 FKAB O=C(NCCSC1CCCCC1)c1ccccc1CCc1ccccc1 13688316 RLQFJAJTBAJZKD-UHFFFAOYSA-N 367.558 5.268 0 40 FKAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13774811 UAKFUGIBJSPFPM-CQSZACIVSA-N 372.534 5.049 0 40 FKAB O=C(Nc1ccccn1)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 14982606 RFZWICAONXFLJJ-OAHLLOKOSA-N 363.288 5.691 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 30938277 SKEVIOMITOIZMG-UHFFFAOYSA-N 364.533 5.658 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(Cl)c3F)ccc2c1 32718958 OPKIEPHIHGKFKI-GFCCVEGCSA-N 357.812 5.383 0 40 FKAB CSCc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 40135187 FYOKNWMEMGXXAH-UHFFFAOYSA-N 355.478 5.008 0 40 FKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCc1ccccc1 44086707 LOGACTWNDYJSEA-UHFFFAOYSA-N 356.494 6.140 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 44949960 SYVZTEGZDKWDHX-SFHVURJKSA-N 374.267 5.943 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Br)c1 57315770 MAJGBHMAGCNDGR-ZRDIBKRKSA-N 368.230 5.361 0 40 FKAB CCCCCn1c(SCc2ccc(C)c(C)c2)nc2ccsc2c1=O 67259654 QKFFTIUITPJLBX-UHFFFAOYSA-N 372.559 5.557 0 40 FKAB CC(C)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C(C)C 72212984 AQESWKWTXXYMCW-SFHVURJKSA-N 361.530 5.167 0 40 FKAB CC1(C)CCC(C)(C)[C@@H]2CC3C[C@@H]4[C@@H](CC3C[C@H]21)C(C)(C)CCC4(C)C 104084134 CCCFMUYCLQXOGW-JZHHSBMOSA-N 358.654 7.964 0 40 FKAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 226286425 DMHXDCLTGYEUEI-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB Cc1nc(Nc2cccc(C3CCN(C4CCCC4)CC3)n2)sc1C 257241251 HXIFYCVMEUARBH-UHFFFAOYSA-N 356.539 5.021 0 40 FKAB CCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4C3=CC[C@]12C 575418334 JBBVWVSEQQRIJR-JFYQVNSESA-N 354.490 5.260 0 40 FKAB in-vitro CN(C)Cc1ccccc1N[C@H]1c2ccccc2CSc2ccccc21 702116 MSXPUBMISLGRCR-QHCPKHFHSA-N 360.526 5.555 0 40 FKAB COc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1 951919 KJURPLBXXNWAAM-UHFFFAOYSA-N 351.406 5.250 0 40 FKAB CCCC(=O)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl 1263142 KRHUWEIYVLVZOX-CYBMUJFWSA-N 370.880 6.400 0 40 FKAB Fc1ccc(-c2onc3ccc(-c4ccn(-c5cccc(F)c5)n4)cc23)cc1 1401671 HSBXUSXBCXUWEL-UHFFFAOYSA-N 373.362 5.626 0 40 FKAB FC(F)(F)c1cc(-c2cccs2)n(-c2nc3ccccc3s2)n1 1412440 QXIOAECTMDVRIQ-UHFFFAOYSA-N 351.378 5.229 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1CCc1ccccc1 1800577 WINRQCKZGHXTHE-UHFFFAOYSA-N 369.386 5.743 0 40 FKAB CCCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Cl)c3)nc2c1 2145163 TUIAKEDLHUNDLY-UHFFFAOYSA-N 358.825 5.286 0 40 FKAB CCOc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2284772 IYGHMSLICPXTDY-UHFFFAOYSA-N 366.424 5.034 0 40 FKAB CC1CCN(C(=S)SCSc2nc3ccccc3s2)CC1 2418446 GAAVLEPECMGIGM-UHFFFAOYSA-N 354.591 5.096 0 40 FKAB O=C(CCSCCSCCC(=O)c1cccs1)c1cccs1 2520638 PHXFPTNLKHRFPF-UHFFFAOYSA-N 370.586 5.122 0 40 FKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1Cl 2766405 RRCRZGCVQZTAJI-UHFFFAOYSA-N 369.298 5.334 0 40 FKAB COc1cccc(C2=C[C@@H](c3ccccc3C)n3c(nc4ccccc43)N2)c1 2917799 WZWWJSKVUCFIBK-QHCPKHFHSA-N 367.452 5.409 0 40 FKAB Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(Cl)c1 3231018 BAIZWARQTCVHOG-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB Clc1ccc2nc(-c3ccccc3)nc(SCc3ccccc3)c2c1 4130052 AMNSBBPMRCNIFT-UHFFFAOYSA-N 362.885 6.243 0 40 FKAB Fc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3cccs3)C2)cc1 4357029 VPWCKRYQNMPPNX-SFHVURJKSA-N 356.853 5.896 0 40 FKAB Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1C 5203522 YUODIAQKVHNIJY-UHFFFAOYSA-N 373.481 5.155 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)c(C)c1 6234103 BRISJICQFPQJGB-UHFFFAOYSA-N 350.487 5.605 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3C)sc2c1 6279404 QCHHUUIQWUPGLC-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB Cc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 6339278 BVECXCXOZUKNQJ-UHFFFAOYSA-N 357.409 5.573 0 40 FKAB C[C@@H]1CCc2c(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)csc2C1 6558393 BWJYLVYHUXWXDZ-LLVKDONJSA-N 372.490 5.388 0 40 FKAB Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1[C@H](O)CC(C)(C)C2 6669637 SUIWEZWFWVKSDB-CYBMUJFWSA-N 368.260 5.153 0 40 FKAB C[C@@H](NC(=O)c1c2c(nc3ccccc13)CCC2)C12CC3CC(CC(C3)C1)C2 7159424 PRNKAEGYPOYXBC-SIGOSDGXSA-N 374.528 5.058 0 40 FKAB Clc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 10475562 YOAOHAVHULCSSB-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB Cc1cc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)nc(C)n1 12016828 XIQCLOPTWJSRSE-UHFFFAOYSA-N 357.523 5.071 0 40 FKAB c1ccc(-c2csc3ncnc(N4CCC[C@@H]4c4cccnc4)c23)cc1 12556433 BBAHHJFZHHRQTN-GOSISDBHSA-N 358.470 5.095 0 40 FKAB CCOc1cc(CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 17074458 VVVGEOUTVMUNPN-UHFFFAOYSA-N 361.652 5.117 0 40 FKAB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1Cl 18194519 JQWBQIPHEWQJQG-UHFFFAOYSA-N 350.805 5.215 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)c(Cl)c1 19933719 HCPQUUAQERKTKT-LJQANCHMSA-N 369.848 5.298 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccc2ccccc12 23912256 WOGDVFLGAXPHKU-MRXNPFEDSA-N 369.468 5.133 0 40 FKAB Cc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32622982 MCIGSRDTBDYWTI-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB COC(=O)c1cc2ccccc2cc1Oc1ncnc2cc(Cl)ccc12 32907685 CFJAYBLYYHVJTK-UHFFFAOYSA-N 364.788 5.015 0 40 FKAB CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cccs1 58371086 MODKOYXFRWMZAF-UHFFFAOYSA-N 369.437 5.338 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2ccc(Br)cc2F)c1 71760748 HPHXQBKSSFYWHX-UHFFFAOYSA-N 367.287 5.521 0 40 FKAB CC(C)c1ccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 72390079 XWLSUIYVWSHAIS-SFHVURJKSA-N 367.518 5.301 0 40 FKAB Fc1ccccc1CNC[C@@H](c1cccs1)c1c[nH]c2ccccc12 84504964 MNQAKYBMDYFJEE-GOSISDBHSA-N 350.462 5.290 0 40 FKAB O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@H]1c1ccc(F)cc1 95377391 VDXFNHRRMDWVPA-SFHVURJKSA-N 370.424 5.066 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 96761798 OGEMCGZYMFAAOD-UHFFFAOYSA-N 357.497 5.346 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Cl 222852556 SXGZIOJMOSAFCZ-OAHLLOKOSA-N 373.880 5.376 0 40 FKAB CCCCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191627 VLQDIQWQNIMGES-UHFFFAOYSA-N 365.955 5.363 0 40 FKAB CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 226254346 PTHCOQOHEDKEGW-UHFFFAOYSA-N 365.521 5.055 0 40 FKAB CC(C)Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 409092135 VODKEIDDOXGUKE-UHFFFAOYSA-N 357.910 5.547 0 40 FKAB Cc1nc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)s1 753111 IZBTWVSMTCJNEK-UHFFFAOYSA-N 366.309 5.390 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 851711 CMAUQFYTWUXRSH-FQEVSTJZSA-N 364.832 5.120 0 40 FKAB O=C(c1ccco1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 882073 KDVNCADHURLNEL-UHFFFAOYSA-N 374.465 5.293 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccccc3)c3cc(C)ccc3o2)cc1OC 1805946 FUGMKDLZAGTEIR-LKUDQCMESA-N 371.436 5.658 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 1920576 GMWHODOIGXCXGP-UHFFFAOYSA-N 358.652 5.445 0 40 FKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 1945833 ZIQXAHNWKBANJI-NYYWCZLTSA-N 370.861 5.124 0 40 FKAB Clc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)c(Cl)c1 2269563 KKWDNPRSAXBWSM-UHFFFAOYSA-N 358.272 5.594 0 40 FKAB Cc1ccc(-c2nnc(SCc3cccc(C)c3)n2-c2ccccc2)cc1 2443891 ABEDLAIDNHVSRJ-UHFFFAOYSA-N 371.509 5.843 0 40 FKAB Brc1ccc(CSc2ncnc3c2oc2ccccc23)cc1 2722815 VJNYPQWGNIEVNS-UHFFFAOYSA-N 371.259 5.431 0 40 FKAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Oc2ccccc2)cc1 3242175 DHCDFUQKHDHFLM-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB O=C(Nc1ccc(F)cc1)[C@@H](N[C@H]1CCCc2ccccc21)c1ccccc1 3420587 GLJYVJAOPRIBRX-GOTSBHOMSA-N 374.459 5.173 0 40 FKAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C(C)(C)C)cc1 3521721 STKUSFXIFLRRCA-AWEZNQCLSA-N 366.486 5.398 0 40 FKAB Fc1ccc2nc(Nc3nc(-c4ccc(Cl)s4)cs3)sc2c1 4137775 ROYJORFLZRFQAJ-UHFFFAOYSA-N 367.883 6.017 0 40 FKAB CCCC[C@@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 4289953 POFXFTVXJUYYRI-SXGYVVAPSA-N 365.561 6.046 0 40 FKAB CC(C)C(=O)Nc1nnc(-c2ccccc2SCc2ccccc2)s1 4591826 HSPGYOWGQRVUNL-UHFFFAOYSA-N 369.515 5.092 0 40 FKAB CCCC(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C 5241756 BGSBSNLJEDIPEI-UHFFFAOYSA-N 370.452 5.097 0 40 FKAB CCCC[C@H](C)N(CCNc1cc(OC)cc2cccnc12)CC(C)C 5838418 UICOCDFXIDXKNL-SFHVURJKSA-N 357.542 5.192 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1C(F)(F)F 5937595 BCVBOCRUMXCZLY-UHFFFAOYSA-N 363.360 5.186 0 40 FKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)C(C)C 5953062 MULJAMHYSNGJKW-UHFFFAOYSA-N 373.518 5.484 0 40 FKAB Cc1ccc([C@@H](CCNc2nccs2)c2ccc(OC(C)C)cc2)cc1 6760286 QPWHTUVZQKESFX-OAQYLSRUSA-N 366.530 5.873 0 40 FKAB CSc1ccc2nc(Nc3nc4c(Cl)cccc4s3)sc2c1 7447246 YGAFFZRKFMDTNJ-UHFFFAOYSA-N 363.920 6.025 0 40 FKAB COc1cc(Nc2ncnc3sc(-c4ccccc4)cc23)cc(OC)c1 8230044 XQDKNEXWGREWDV-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)nc12 9141237 HZMBBGOGKFZHEN-FMIVXFBMSA-N 350.487 5.688 0 40 FKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 9594255 UUHDBUDYMKTAGS-UHFFFAOYSA-N 368.264 5.220 0 40 FKAB C[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2S1 12858834 MFFLLHCLEVRCHH-LBPRGKRZSA-N 367.392 5.116 0 40 FKAB N=C(N)c1ccc2c(c1)N[C@H](c1cccc(Cl)c1)[C@@H]1Cc3ccccc3[C@H]21 13974154 CIYKSLZWCNNELN-CEMLEFRQSA-N 373.887 5.095 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)c(C)c1 20672042 XUVVXRDDQHWANI-UHFFFAOYSA-N 359.473 5.388 0 40 FKAB CCC1CCC(N(C(=O)Cc2nc(-c3cccs3)oc2C)C2CC2)CC1 40070309 BZVSFQRMPIOASP-UHFFFAOYSA-N 372.534 5.214 0 40 FKAB Cc1nccc(-c2cccc(NCc3csc(-c4ccccc4)n3)c2)n1 40153298 GJBRKDOPHIXSIJ-UHFFFAOYSA-N 358.470 5.188 0 40 FKAB Cc1ccccc1-n1nc(C(=O)O)cc1-c1ccc(Oc2ccccc2)cc1 59472460 PTMYFJITXJGTOE-UHFFFAOYSA-N 370.408 5.338 0 40 FKAB CCOc1ccc(Nc2ccnc3c(C)cc(Cl)cc23)cc1OCC 65090609 FMWDNKJPFRNPKE-UHFFFAOYSA-N 356.853 5.738 0 40 FKAB Clc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 67321928 MCAIIXIFOUEFNB-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1 72348624 XWZIMJSHDZMBIF-UHFFFAOYSA-N 370.496 5.001 0 40 FKAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1nnc(-c2ccccc2)o1 74236232 RXWRXMPWAQOPFI-LBPRGKRZSA-N 362.260 5.236 0 40 FKAB CCc1ccc(CC2=CN3C[C@H](c4ccc(Cl)cc4)N=C3S2)cc1 101460318 DSYHVWPBNMEZOM-LJQANCHMSA-N 354.906 5.446 0 40 FKAB CCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101485535 NSMKWGGRWAFJDI-IUCIOQMXSA-N 360.501 5.123 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCCC2)cc1 219057257 ZQYJPXNSJTXOSQ-AWEZNQCLSA-N 359.853 5.067 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 222972008 QMWGNOOWWSHKSM-NHCUHLMSSA-N 353.506 5.345 0 40 FKAB CO[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCC[C@@H](C)C1 225637880 BPOAYYVNUOGDBK-HXOBKFHXSA-N 367.489 5.108 0 40 FKAB CCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC(C)CC1 225719758 YOUWOAGXHJZPJF-UHFFFAOYSA-N 367.489 5.190 0 40 FKAB COc1cccc2cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)oc12 408702275 MLVNWZIGPFGUEQ-UHFFFAOYSA-N 370.619 5.654 0 40 FKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 409110415 BVCYXFSBNXKDIO-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409118199 ZGKQAKPIXPTGTO-MOSHPQCFSA-N 361.828 5.412 0 40 FKAB Cc1ccc(COc2ccc3oc(-c4ccccc4)c(C(=O)O)c3c2)cc1 639330 IRYJBRNMAZHVOH-UHFFFAOYSA-N 358.393 5.685 0 40 FKAB biogenic CCc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)O)cc1 657821 GJWUNSCQRFTYNI-UHFFFAOYSA-N 352.459 5.052 0 40 FKAB Cc1ccc(N(C)C(=O)Oc2c(Cl)cc(Cl)c3ccccc23)cc1 936204 RCHWLZHLFATDNK-UHFFFAOYSA-N 360.240 6.090 0 40 FKAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H]1c2ccccc2Oc2ccc(C)cc21 948671 LXHOFSNFCGZTLP-DHIUTWEWSA-N 368.436 5.272 0 40 FKAB Cc1nc(NC(=O)c2ccccc2-c2ccccc2)sc1-c1ccccc1 1428425 RHSMLSSTTHZRTM-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc(F)c1 1505854 HBKNZECDFCUIOF-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB Clc1ccccc1Cn1c(-c2ccccc2)nc2nc3ccccc3nc21 2250187 OYEBVJXAIJKWDQ-UHFFFAOYSA-N 370.843 5.348 0 40 FKAB Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)cc1C 2644964 SOEKSCZLRYTHLB-GOSISDBHSA-N 358.437 5.185 0 40 FKAB CCCCCc1ccc(-c2ccc(C(=O)Oc3ccccc3F)cc2)nc1 3108272 WARAXPKOKFRSAI-UHFFFAOYSA-N 363.432 5.840 0 40 FKAB COc1cc(SC)ccc1C(=O)Nc1ccccc1Cc1ccccc1 3279108 CNRMGRKLYCXFPV-UHFFFAOYSA-N 363.482 5.260 0 40 FKAB CCCCc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)c(C=O)n12 3300718 KAEQYQSAEXXAPM-UHFFFAOYSA-N 364.470 5.380 0 40 FKAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccccc2)cs1 3442347 VOCYZUXDPBPFEC-UHFFFAOYSA-N 369.511 5.704 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3847908 KIQFUORWRVZTHT-IWDOKWJLSA-N 374.565 5.715 0 40 FKAB COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 5377426 OKMHWOWJDRPCCT-IRYSOFJSSA-N 356.506 5.165 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1 5903672 AEKCWQOGBWYULX-OBGWFSINSA-N 371.480 6.428 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 6744349 VBWAQBZDGGCZAO-FPIWTNIKSA-N 363.542 5.079 0 40 FKAB COc1cc(CNCC(C)C)ccc1OCc1ccc(Cl)cc1Cl 6883584 ZLLNZVAFEXKGFA-UHFFFAOYSA-N 368.304 5.327 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)c(Cl)c1 7919665 JQSQUIQMGYBNSQ-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(F)(F)F)c3)nc2c1 8053928 HCNFBVWBTWWVCN-UHFFFAOYSA-N 368.742 5.211 0 40 FKAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21 8091835 VQIISNHWEGNBIF-RVDMUPIBSA-N 370.235 5.770 0 40 FKAB COc1cccc(CNC2CCCCC2)c1OCc1ccccc1Cl 8495570 KLWJMOPZWWFERR-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB O=C(Oc1ccc(Cl)c2cccnc12)C(c1ccccc1)c1ccccc1 12042369 UPKJMCKPSSLAIT-UHFFFAOYSA-N 373.839 5.626 0 40 FKAB C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1cccc(Cl)c1Cl 12686602 HMPOMSJQEVLJPO-GFCCVEGCSA-N 362.260 5.236 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 15490234 GSJZJYFFSRWGAG-NSHDSACASA-N 373.827 5.619 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20482826 RCMRKIGQTXXUNB-KXBFYZLASA-N 361.938 5.705 0 40 FKAB CCCCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 43214497 CZLOJDJPTWKPHG-UHFFFAOYSA-N 360.538 5.952 0 40 FKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(F)cc2)cc1 44087011 UHDBHWRAUMZBAT-UHFFFAOYSA-N 368.477 5.722 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71326249 RSWLSLOJRUFVIM-UHFFFAOYSA-N 354.397 5.518 0 40 FKAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215505 UTWLGSRGHTVNCG-LJQANCHMSA-N 373.541 5.169 0 40 FKAB Cc1sc(Cc2n[nH]c(-c3ccccc3)n2)nc1-c1ccc(Cl)cc1 72294558 IWKKTKCNHGOCGX-UHFFFAOYSA-N 366.877 5.148 0 40 FKAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3ccc(C(C)C)cc3)o2)s1 72390174 GWPAYTVODSNCEY-GOSISDBHSA-N 367.518 5.567 0 40 FKAB O=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccoc1)Cc1cccs1 90612162 WGFOYMFBYPBZKV-UHFFFAOYSA-N 365.376 5.203 0 40 FKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)c1C 96037413 UKNHYMCYZMHUPN-UHFFFAOYSA-N 371.484 5.412 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccccc3)ccc21 197259939 RHARVOLEUHVVKX-MRXNPFEDSA-N 374.509 5.934 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225321561 BBDWRIDJCXOXPZ-SQGPQFPESA-N 368.571 5.454 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(Br)c(C)c1)c1ccccc1 225480043 GHGUXUWSWWTFKU-INIZCTEOSA-N 363.324 5.195 0 40 FKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225505272 QXJDPJXXZXHZDQ-IBGZPJMESA-N 365.517 5.931 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c2ccccc12 225859030 UZJGXMJWIMISNL-QHCPKHFHSA-N 369.505 5.553 0 40 FKAB O=C(Cc1cccc2ccccc12)N[C@H](c1ccsc1)c1cccs1 390826215 FRLKPUDVSRESEW-OAQYLSRUSA-N 363.507 5.411 0 40 FKAB CCOc1ccc2ccccc2c1CNc1ccc(Br)cc1C 408605416 HDQWIVLWJGVVKC-UHFFFAOYSA-N 370.290 5.922 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 408629353 YCMZJQQZMONBMB-QZGUCNERSA-N 366.549 5.610 0 40 FKAB Cc1ccccc1CSCC(=O)Nc1ccc(Oc2ccccc2)cc1 408775754 JNVCDAATVYWAJE-UHFFFAOYSA-N 363.482 5.659 0 40 FKAB Cc1ccc(-n2c(C)nnc2SCCOc2ccccc2Cl)cc1C 409093882 BINHAERVGRUUFM-UHFFFAOYSA-N 373.909 5.017 0 40 FKAB CN(C)CC[C@H](Oc1ccccc1OCc1ccccc1)c1ccccc1 726313 DOLQMPKGEINGIB-QFIPXVFZSA-N 361.485 5.337 0 40 FKAB Cc1cc2c(cc1C)N(C(=O)C(C)C)C(C)(C)c1ssc(=S)c1-2 727741 ZGFKZILLJQRSTE-UHFFFAOYSA-N 363.573 6.061 0 40 FKAB Fc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl 756740 PZWOXHBIQACGII-UHFFFAOYSA-N 374.206 5.005 0 40 FKAB COc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc2ccccc12 784041 UEYVGLOXNLBJLK-UHFFFAOYSA-N 368.436 5.087 0 40 FKAB CCOc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1471203 TYBFXJKGGJMHKT-UHFFFAOYSA-N 363.642 5.111 0 40 FKAB O=C(c1ccc(Cl)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 1663985 FNKQIIMQTYKJKK-IBGZPJMESA-N 356.252 6.030 0 40 FKAB O=c1oc(-c2ccccc2Cl)nc2scc(-c3ccc(Cl)cc3)c12 2060367 GZLBDVZQGBOWEY-UHFFFAOYSA-N 374.248 5.890 0 40 FKAB COc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)CCC(C)C)cc1 2444412 NIQSHFRVLGQLJZ-GHTZIAJQSA-N 373.968 6.609 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3216537 LQUFGHHAJQQUQB-UHFFFAOYSA-N 373.537 5.453 0 40 FKAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 3326043 KMRFHNRVHDYGJO-JPYJTQIMSA-N 370.496 5.348 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 3455925 ZUTNCMQZKJMVAW-UHFFFAOYSA-N 355.359 5.476 0 40 FKAB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CCOC(=O)Nc1ccccc1 4027733 XEMYEKIWQRPWRD-JFSTXAPLSA-N 373.537 5.619 0 40 FKAB biogenic O=C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(F)(F)F 4108843 XWDAIPOEILKOKI-UHFFFAOYSA-N 372.173 5.741 0 40 FKAB CCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 4164878 QSHIHSALOSODOM-UHFFFAOYSA-N 366.464 6.228 0 40 FKAB biogenic,in-vitro CCOc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@@H]21 4715952 OALBNEZHZUFMCN-TUAABQIMSA-N 366.461 5.128 0 40 FKAB Cc1sc2nc(C3CCCCC3)nc(SCc3ccccn3)c2c1C 4848103 VJHMTKCDDGCBIO-UHFFFAOYSA-N 369.559 6.043 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1ccccn1)c1ccccc1 5570342 ZOUQTPPIGLPWOG-RKZHYGFVSA-N 372.449 5.490 0 40 FKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCc3ccccc32)cc1 6510731 YUERXIYIMFZQAX-QHCPKHFHSA-N 356.469 5.128 0 40 FKAB CCCCCC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1OC 6591935 DYGUPPHNBITIPI-UHFFFAOYSA-N 366.461 5.639 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(Cl)c2c(c1)OCCO2 8231693 BMUPCOJWVKEXLL-UHFFFAOYSA-N 365.816 5.031 0 40 FKAB O=C(CC/C(=C/c1ccco1)c1nc2ccccc2s1)NC1CCCC1 12793562 JRUDNNFEGXFFQS-PFONDFGASA-N 366.486 5.269 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12917504 XKQKEHHVELNGAN-UHFFFAOYSA-N 368.868 5.104 0 40 FKAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccc(Cl)cc1 19945470 DKHYTUALEXRBDN-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1OC 20108699 HNCAQYLHIFQPFZ-LJQANCHMSA-N 369.848 5.298 0 40 FKAB CC[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(C)cc1 20460482 BHBGGWOSKBUEOI-SFHVURJKSA-N 374.509 6.459 0 40 FKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC 34996811 GSQAHNYZLWNWEB-QXPWYRSVSA-N 358.566 7.251 0 40 FKAB in-vitro CSc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 40487494 JIDYEQGOCGVHLM-JTHBVZDNSA-N 372.493 5.651 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc2cnccc12 43160974 SCKUJBOEUOSIDR-ZDUSSCGKSA-N 362.458 5.069 0 40 FKAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(Br)c1 58367673 IJOINHYTFBZMQC-CQSZACIVSA-N 373.294 5.282 0 40 FKAB CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214937 NHKRJQUCCQUWAC-SFHVURJKSA-N 361.530 5.169 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccco1)c1ccccc1 218097350 KCDDDIOBKLTJMR-DTQAZKPQSA-N 357.331 5.478 0 40 FKAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 219482980 CFCCCZZVFWLILM-HNNXBMFYSA-N 367.832 5.538 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc(C)c1Cl 223198069 BODNKAVRSVVYHQ-HOTGVXAUSA-N 371.908 5.090 0 40 FKAB CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225088105 KZAYAVNXGPSZTR-KRWDZBQOSA-N 367.272 5.366 0 40 FKAB O=C(CC1CCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257250004 JKOWYCZVFZSYJB-HXUWFJFHSA-N 370.468 5.038 0 40 FKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccccc1F 408535015 XEVCKZQKPPFYPQ-UHFFFAOYSA-N 370.383 5.169 0 40 FKAB CCCCCN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 409199429 DEMWWTLHTQGZER-PDGQHHTCSA-N 361.507 5.354 0 40 FKAB CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 957218 XDVCRHUERMCAHU-UHFFFAOYSA-N 368.385 5.046 0 40 FKAB c1ccc(C2=NC(c3ccccc3)(c3ccccc3)N=C2c2ccccc2)cc1 1600261 CBXQQXKWLIFSMY-UHFFFAOYSA-N 372.471 5.880 0 40 FKAB CC(=O)C[C@@H]1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc12 1722264 PSUHDCHDMUHPFQ-WXVAWEFUSA-N 364.488 6.666 0 40 FKAB Cc1cccc(-c2nc(Nc3cccc(Cl)c3C)c3ccccc3n2)c1 1775553 HXTPCCFTKVSIHS-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(-c2ccccc2)cc1 2065839 DQDBEOJETBCDAN-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1ccc(N2CN(c3ccc(C)cc3)CP(c3ccccc3)C2)cc1 2257006 UBTLQANULOJJIY-UHFFFAOYSA-N 360.441 5.310 0 40 FKAB Clc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1Cl 2270441 DIESCXTYJZOHSB-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB CCCCOCCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 2412352 ILHMRZKUCMLWBM-UHFFFAOYSA-N 374.488 5.162 0 40 FKAB O=C(Nc1ccc(OC(F)F)cc1)c1sc2cc(F)ccc2c1Cl 3289599 KOEZTOBEZPTHQO-UHFFFAOYSA-N 371.767 5.548 0 40 FKAB S=C(c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCCC1 4123785 LHUQANKRJCTIME-UHFFFAOYSA-N 354.906 5.114 0 40 FKAB C[C@H]1C[C@@]2(c3ccccc3)[C@H](c3ccccc3)C(=O)N2c2ccccc2S1 4659032 GCODYFLTABRQQV-VXWZWFMZSA-N 371.505 5.597 0 40 FKAB O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H](c1ccccc1)C1CCCC1 4667892 GTQRGAZXIVSGOU-DNQXCXABSA-N 361.529 6.008 0 40 FKAB Cc1ccccc1COc1ccc(-c2ncncc2-c2ccccc2)c(O)c1 5533316 JMNKURVNWWHSSX-UHFFFAOYSA-N 368.436 5.404 0 40 FKAB biogenic O=C(Nc1cccc2ccccc12)c1ccccc1CCc1ccccc1 5603080 VXTWVMZATWXVSC-UHFFFAOYSA-N 351.449 5.877 0 40 FKAB O=C(Nc1cc(OCc2cccc(F)c2)c(Cl)cc1Cl)C1CC1 5892427 PERDQVKMKBPKIM-UHFFFAOYSA-N 354.208 5.060 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 6747521 PNJYENREICSAMB-UHFFFAOYSA-N 367.420 5.050 0 40 FKAB Cn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1 7235387 SBRCWVLHRWIEGL-KRWDZBQOSA-N 355.894 5.228 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699427 JXUXKLBXBGZLCK-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1nc2ccc(Cl)cc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8700899 YMBMBLLMGQWUAL-BTYIYWSLSA-N 358.913 5.303 0 40 FKAB Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(C)cc4C)cc23)cc1 9528976 SNORLRDJLGIQQN-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 10365800 YDWGJNVOISFBBX-UHFFFAOYSA-N 355.787 5.493 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1 14412181 RBNWMOCRKRRVRZ-FOWTUZBSSA-N 358.224 5.766 0 40 FKAB CC(C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17113613 FWOGDKMYXRUNAA-UHFFFAOYSA-N 352.438 5.055 0 40 FKAB CCOc1ccc(CCC(=O)Nc2ccccc2SCC)cc1OCC 20490715 QBPGHMKEOFHFTG-UHFFFAOYSA-N 373.518 5.167 0 40 FKAB CC1(C)C[C@@H]([C@@H](CCNCc2ccccn2)c2ccccc2Cl)CCO1 27666680 SIGNMPDIEJTHOU-PKOBYXMFSA-N 372.940 5.204 0 40 FKAB CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/Cc1cc(C(=O)O)ccc1O 31164529 LSQRGMPMJOCLHX-JWJXVZORSA-N 358.478 5.023 0 40 FKAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 58323573 ADPCLGNRMVDSIM-UHFFFAOYSA-N 351.277 5.667 0 40 FKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)c(C)c1 67190174 DUBILEHTJACYRJ-IZHYLOQSSA-N 368.436 5.534 0 40 FKAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCc2ccccc2C1 84582000 IFDZEXAHGDJTJJ-UHFFFAOYSA-N 362.404 5.208 0 40 FKAB Cl/C(=C/c1ccc(Br)cc1)c1nc(-c2cccs2)no1 96891493 IBUBJTATRYHKDV-DHZHZOJOSA-N 367.655 5.298 0 40 FKAB CC(C)[C@@]12CC[C@@]3(CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]3C1)[C@H](CN)C2 100133286 CFSIKOAGZWBLPX-BQZLYPDZSA-N 361.570 5.085 0 40 FKAB in-vitro CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2ccccc21 113950557 CVTOBJOLLVPBBK-PKTZIBPZSA-N 359.469 5.191 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C(C)C)cc1 219316186 KFYKGQKDKKUHQE-OAQYLSRUSA-N 353.506 5.025 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224426730 IOJCSALKSHHDKS-QGZVFWFLSA-N 359.469 5.270 0 40 FKAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2N)c1 225177276 FZHMOSUOJPOJGB-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521616 MLTXNLMEOFHOQY-UHFFFAOYSA-N 369.480 5.682 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccccc2Cl)c2ccccc2)c1 225697861 JDUWLIJRMBWPTN-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)Cc1ccccc1 226303504 MMZMUQUHXTZVQD-UHFFFAOYSA-N 359.513 5.644 0 40 FKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(F)cc2)cc1 408573176 IRURBGDTAPCOBK-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 409100872 VQPBSNFFAHXIDQ-WQRHYEAKSA-N 353.830 5.685 0 40 FKAB CCc1ccccc1NCc1cccc(OCc2cccc(Cl)c2)c1 409111493 CLYKJICKVCVPKJ-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB Cc1cc(C)n(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)n1 994985 WJOUBRLLQCPWBZ-UHFFFAOYSA-N 367.861 5.119 0 40 FKAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2449280 QCCYZFBYJXBPHD-UHFFFAOYSA-N 371.937 5.725 0 40 FKAB Fc1cccc(Cl)c1CSC1=Nc2cc(Cl)ccc2SCC1 4060517 LWPBHYFLUIZVLE-UHFFFAOYSA-N 372.317 6.592 0 40 FKAB CC(C)[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 4616748 TXCJJEBHNOEANT-HSZRJFAPSA-N 357.497 5.506 0 40 FKAB CC(C)c1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ncccn23)cc1 4734119 YLFOPRNINGGDPD-UHFFFAOYSA-N 371.488 5.329 0 40 FKAB Cc1ccc(C)c(-c2csc(NC(=O)CSc3ccccc3)n2)c1 5192025 LTEBQJWSGJOFAH-UHFFFAOYSA-N 354.500 5.158 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2C)cc1 6940297 WCZIXJICUVWOEE-KRWDZBQOSA-N 368.521 5.372 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 10330722 KDAAHDPGLJAPCE-UHFFFAOYSA-N 364.316 5.540 0 40 FKAB CCOC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(Cl)ccc2n1 15829179 NSKBWBROSVXIEX-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB Cc1ccc(-c2cs/c(=N\Cc3ccccc3)n2Cc2ccccc2)cc1 16804904 DIPIKFMPADBBFE-IZHYLOQSSA-N 370.521 5.674 0 40 FKAB CC(C)CCC[C@H](C)CCN(CC[C@H](C)CCCC(C)C)CC(=O)O 17303032 GDMLLXZOASVDBX-OYRHEFFESA-N 355.607 6.078 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2cccc(Cl)c2)s1 19819675 FVIHHDRJEUBGCG-UHFFFAOYSA-N 362.907 5.405 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)no2)cc1 27662285 JQSAUIDLRIAVOQ-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB Cc1cc(CSCc2cn(-c3ccccc3)nc2-c2ccccc2)on1 30525884 VTWRLSSMJYOOAA-UHFFFAOYSA-N 361.470 5.269 0 40 FKAB O=C(c1ccc(-c2ccccc2Cl)o1)N(Cc1ccccc1)C1CC1 31069362 DJZLARGCADCDIR-UHFFFAOYSA-N 351.833 5.405 0 40 FKAB CC(C)(C)c1cnc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 48367204 QMZORMOCXBVZBV-UHFFFAOYSA-N 373.884 5.146 0 40 FKAB Cc1ccc(C)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297351 OZUOTRXRDCYVGW-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB Cc1cc(NC(=S)Nc2cccc(F)c2C)ccc1Br 71760544 IZOYMGMMWSNSTD-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CSc1cccc(NC(=S)Nc2ccc(Br)c(C)c2)c1 71761391 HEXDNWVMFFBERF-UHFFFAOYSA-N 367.337 5.288 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)no2)cc1 72427655 IINGHZVNTUYCMG-ZDUSSCGKSA-N 374.362 5.160 0 40 FKAB COc1ccc(OC)c(/C=C\C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 96571241 KDFFSVWMIXEAPF-RAXLEYEMSA-N 367.489 5.603 0 40 FKAB CC(C)Cn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 101355970 KKDQLTSQCMHEAW-IBGZPJMESA-N 371.440 5.051 0 40 FKAB CC1=C[C@H](C)[C@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@@H]1[C@H]2C 106900130 YMIQZMUWJPTDGH-XALFCHEASA-N 366.457 5.043 0 40 FKAB biogenic COCc1ccccc1NC(=O)c1cc(-c2ccccc2)ccc1Cl 110219093 PTSFARHTKADBDA-UHFFFAOYSA-N 351.833 5.406 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1OC(C)C 223148496 KYNUPYKVHKCVDN-OAQYLSRUSA-N 367.489 5.149 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CSc2ccccc2)cc1C(C)C 223266767 OQOLMZNKMXPIPL-INIZCTEOSA-N 357.519 5.097 0 40 FKAB CCCOCc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCC 224705616 WGOSLALYRCUZCM-UHFFFAOYSA-N 361.869 5.226 0 40 FKAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1 224940769 NOTKDWYAKGUWRJ-INIZCTEOSA-N 351.877 5.031 0 40 FKAB CC(C)(C)c1ccccc1O[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225090751 DSGQSYSGYFTKSW-KRWDZBQOSA-N 367.272 5.366 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C)c1 225652670 LDOAIYUNISKXNJ-JOCHJYFZSA-N 363.542 5.878 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 409115376 RLQWIIBNZXEQLI-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccccc2Cl)cc1 409116072 KMSXLZHGFQTOCP-UYRXBGFRSA-N 361.828 5.412 0 40 FKAB CCN(CC)Cc1ccc(C(=O)Nc2ccc(SC)c(Cl)c2)cc1 1615055925 RIVYZFRCGGCSNH-UHFFFAOYSA-N 362.926 5.156 0 40 FKAB O=C1C[C@H](c2ccc(Br)cc2)Nc2ccc3ccccc3c21 721573 XPUHOPMPRMIBEN-QGZVFWFLSA-N 352.231 5.342 0 40 FKAB O=C(NC1CCCCCCCCCCC1)c1ccc(-c2ccccc2)cc1 1808224 NWYPDHFONWMYLB-UHFFFAOYSA-N 363.545 6.757 0 40 FKAB COc1ccc(-c2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 2155782 AVPJTTIABYMQQD-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic Cc1nn2c(N[C@@H](C)c3ccccc3)c3c(nc2c1-c1ccccc1)CCC3 2198034 VJKFAKGBFTYLQZ-INIZCTEOSA-N 368.484 5.367 0 40 FKAB Oc1ccccc1-c1nc(Oc2ccc3ccccc3c2)c2ccccc2n1 2418735 OZNXYXJPDFLARF-UHFFFAOYSA-N 364.404 5.948 0 40 FKAB c1ccc(-c2ccc([C@H]3C[C@H](c4cccs4)n4ncnc4N3)cc2)cc1 2500009 UZHQQAPURLTEFW-RTBURBONSA-N 358.470 5.153 0 40 FKAB COc1ccc(C)cc1N(C(=O)C1CCC1)c1nc2ccccc2s1 3538496 PCZUOYQIHIGQQB-UHFFFAOYSA-N 352.459 5.078 0 40 FKAB CC(C)(C)c1ccc2c(c1)[C@]13CCCC[C@@H]1CCC[C@]3(c1ccccc1)N2 4114305 ZWAUJSNPNCWELO-JSRBVGTNSA-N 359.557 6.917 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccs2)N3)C1 4553420 LSJRKZSHXATLBC-BDJLRTHQSA-N 360.548 5.780 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3ccc(F)cc3)nc12 4678637 YGDIOEUESYVVGL-UHFFFAOYSA-N 367.427 5.813 0 40 FKAB CCCCOC(=O)c1cccc(C(=O)OCCCCCCCC(C)C)c1 4683302 HFJJUUDTKOKQML-UHFFFAOYSA-N 362.510 5.797 0 40 FKAB CSc1ccc(-c2nc3ncccn3c2Nc2ccc(C)cc2C)cc1 4734302 FIDBFDPOYWQWCX-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)cc4)c3c2c1 4969926 FUFWZBHJKTZGJB-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB Cc1ccc(C2=N/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)O2)cc1 5002776 KRUCIHRYYAZCIC-QNGOZBTKSA-N 355.393 5.132 0 40 FKAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(Cl)cc1Cl)CC3 5567918 BKVBNMBPVLAAHZ-UHFFFAOYSA-N 368.219 5.046 0 40 FKAB COc1cccc(-c2nc(Oc3ccccc3C)c3ccccc3n2)c1O 5575115 VFFJGERRBIVGPP-UHFFFAOYSA-N 358.397 5.112 0 40 FKAB CCCCC1=N[C@H]2Sc3c(NCC(C)C)ncnc3[C@H]2C2=C1CCC2 6309780 SUEYEKHOZVQLKN-UZLBHIALSA-N 356.539 5.185 0 40 FKAB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 8277763 GDCXYRSRWGUTIR-IFRROFPPSA-N 372.635 5.169 0 40 FKAB Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)c1 8368241 BWWKJBITQNXTSV-OYKKKHCWSA-N 359.425 5.331 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 8714176 NMMAFUVEJVIXHG-MRXNPFEDSA-N 371.908 5.517 0 40 FKAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)on2)cc1 8915193 PUPCTGJFRMDBKW-AWEZNQCLSA-N 370.836 5.018 0 40 FKAB O=C(NCCCc1ccccc1)c1ccc(CSc2ccccc2)cc1 10110159 CXNFELXAKZJEHI-UHFFFAOYSA-N 361.510 5.342 0 40 FKAB Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(C)c1 14255368 MHBZNKIMTNLUIK-UHFFFAOYSA-N 364.681 5.064 0 40 FKAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 15626086 OTWURJNOVICDDA-GFCCVEGCSA-N 361.272 5.285 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(SCc3cscn3)cc2)c1 23043314 XUTKWTTZGZPKBM-UHFFFAOYSA-N 354.500 5.305 0 40 FKAB c1ccc2c(c1)oc1c(Oc3ccc(C4SCCS4)cc3)ncnc12 33012143 JBJFLVFSPJXUBM-UHFFFAOYSA-N 366.467 5.647 0 40 FKAB O=C(c1cccs1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 33619843 YEOVLLOLEWVXKL-UHFFFAOYSA-N 369.848 5.775 0 40 FKAB Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 35167473 XVJTYPOHCSSMAL-UHFFFAOYSA-N 352.455 5.237 0 40 FKAB CCN(C(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1cccc(C)c1 44838369 LQTMEGIUMPVOJY-UHFFFAOYSA-N 355.441 5.205 0 40 FKAB Clc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4Cl)C3)o2)cc1 49169400 WWFNNTUFQKZCSK-HNNXBMFYSA-N 374.271 5.033 0 40 FKAB biogenic,in-vitro Clc1ccc2c(N3CCCC[C@H]3c3nc4ccccc4o3)ncnc2c1 95446190 NLMZOSXNHBMLKP-KRWDZBQOSA-N 364.836 5.156 0 40 FKAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216813996 QUXTYMLYVKNJDQ-UHFFFAOYSA-N 359.636 5.403 0 40 FKAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219556903 FWBBXDUQNZHUHV-LPHOPBHVSA-N 369.505 5.028 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C 223397297 CHKABGRRIXKJPN-HOTGVXAUSA-N 361.938 5.623 0 40 FKAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 223422846 KUWVBPDMPBBGFF-SAGAUJLNSA-N 369.936 6.213 0 40 FKAB Cc1ccc(NC(=S)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225452660 IMDWPHSIAGMQHH-LJQANCHMSA-N 366.530 5.508 0 40 FKAB COc1ccc(NC(=S)NCCCSC2CCCCC2)cc1Cl 225590369 FLOVEUKLCSRWHP-UHFFFAOYSA-N 372.987 5.091 0 40 FKAB Cc1ccccc1[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 225632912 UJMCUVKSYHDEFH-JOCHJYFZSA-N 367.851 5.236 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408574036 HOKYTMNBEZXTTA-UHFFFAOYSA-N 359.381 5.015 0 40 FKAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 859865 FDZHXGCPZRZLCV-UHFFFAOYSA-N 372.399 5.302 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1ccccc1 1777671 BFQRPAGEYGQNBS-UHFFFAOYSA-N 366.442 5.236 0 40 FKAB CCCCc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1 2060134 MONSINUNUJKKCW-UHFFFAOYSA-N 361.466 5.926 0 40 FKAB COc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 2654650 XKKDPGDCQHGTSC-UHFFFAOYSA-N 358.466 6.229 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3182316 XTSVGEHELLLKSZ-UHFFFAOYSA-N 373.924 6.196 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c(Cl)c1 4123289 TVYBDFZCKIQHGH-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CC(C)(C)CC(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4162531 ILEMMGGYLCYYBQ-UHFFFAOYSA-N 368.408 5.199 0 40 FKAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OCC(=O)c3ccccc3)cc12 4340812 MQFPOQZTRHRSGG-UHFFFAOYSA-N 370.404 5.030 0 40 FKAB biogenic CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 5230575 JKMWTLBCBAHXAC-GHTCOAQMSA-N 374.653 7.079 0 40 FKAB CC1(C)Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 5446696 YEUUYZMMNDCVAH-JOCHJYFZSA-N 354.453 5.633 0 40 FKAB CC(C)(C)c1cc(O)c(Sc2ccccc2)c(=O)n1-c1ccc(F)cc1 6666677 NWGPLXBHJRBWIA-UHFFFAOYSA-N 369.461 5.131 0 40 FKAB Cc1cc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc2cc1Cl 6826372 ZVLLRVLYNDJORN-UHFFFAOYSA-N 358.894 5.808 0 40 FKAB CC(C)(C)C1=C[C@H](O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1 6855484 KHYFLSMWMCXMEB-SFHVURJKSA-N 362.498 5.744 0 40 FKAB C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 13647456 JYVFBMUYYAHHFT-ZDUSSCGKSA-N 360.295 5.238 0 40 FKAB Cc1ccc(NC(=O)CCC2CCCCC2)c(NC(=O)c2ccco2)c1 13955130 ODZXRWWXXMJIJX-UHFFFAOYSA-N 354.450 5.139 0 40 FKAB COc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 16243026 RXICCVLHRSCCFI-NRFANRHFSA-N 362.498 5.080 0 40 FKAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1Cl 23042640 XXRFKPNCHFHLSP-GFCCVEGCSA-N 368.864 5.207 0 40 FKAB Fc1ccc(-c2cc3c(SCc4cccc(Cl)c4)nccn3n2)cc1 23126582 SBTJBMCTHLEFOM-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB O=C(Nc1ccc(Cl)cn1)c1cc(-c2cccs2)nc2ccccc12 27755382 RYDZGDJLYVCLEK-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB Cc1c(CN(Cc2cccnc2)Cc2ccccc2F)[nH]c2ccccc12 57796889 UFGBBDDJBWICFT-UHFFFAOYSA-N 359.448 5.213 0 40 FKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1Cc1ccccc1Cl 59109444 OYDNHQKEGNOKNO-UHFFFAOYSA-N 351.755 5.396 0 40 FKAB C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C(C)(C)C)cc1 223592507 UFNMFEACHKTWIH-QGZVFWFLSA-N 365.517 5.119 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 225867636 MJASIXLTTQVUDQ-MRXNPFEDSA-N 357.972 5.003 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 409112364 CGDOQSUENYBRGA-UHFFFAOYSA-N 365.448 5.588 0 40 FKAB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21 409113370 HOUOKIGMEPWGFL-RGEXLXHISA-N 363.844 5.897 0 40 FKAB COc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409118691 PRURJOHTBLAPOQ-UHFFFAOYSA-N 374.267 6.406 0 40 FKAB Cc1ccc(Br)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250371 ILQNAJZANPANOG-UHFFFAOYSA-N 367.111 5.847 0 40 FKAB COc1ccc(-c2cc(CNc3nc4c(C)c(C)ccc4s3)on2)cc1 1776002840 HJIFILMTRSYFDJ-UHFFFAOYSA-N 365.458 5.189 0 40 FKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)c1ccccc1 854706 NYFSGSRPGQUVTH-UHFFFAOYSA-N 361.228 5.233 0 40 FKAB O[C@@H](c1ccccc1)c1oc2ccccc2c1-c1cnn(-c2ccccc2)c1 1081968 NBDOSILRDJUOQH-QHCPKHFHSA-N 366.420 5.367 0 40 FKAB Cc1cc(C)cc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 1222372 SEACNBZVIXUAPN-UHFFFAOYSA-N 361.470 5.209 0 40 FKAB CC(C)CCOc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1303199 OZMPUUNMCBBTHH-QHCPKHFHSA-N 365.517 5.174 0 40 FKAB CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)[C@@H](C)c1ccccc1 1321370 QGOAJGBPGUDRQY-CVDCTZTESA-N 361.485 5.606 0 40 FKAB biogenic C(=C1c2c(ccc3ccccc23)Oc2ccc3ccccc3c21)c1ccccc1 1715122 HFUICCPXFBIFMB-UHFFFAOYSA-N 370.451 7.688 0 40 FKAB O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1F 1797133 FPSAADONIKUKTK-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB Cc1nc(SCc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 2106452 NKNYXBMWAKZINJ-UHFFFAOYSA-N 360.935 5.824 0 40 FKAB Clc1ccc(Cl)c(Oc2nc(-c3cccs3)nc3ccccc23)c1 3359206 ALBPUMFFFYIKKO-UHFFFAOYSA-N 373.264 6.457 0 40 FKAB CCOc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1OCC 3376187 INLQGSOHXARDHW-UHFFFAOYSA-N 369.244 5.148 0 40 FKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1 3417307 MWAUBJIANKHGRX-LLVKDONJSA-N 368.285 5.315 0 40 FKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 3446959 QRIGMAPRFSEMEP-OAHLLOKOSA-N 369.386 5.863 0 40 FKAB CCCC[C@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 4289952 POFXFTVXJUYYRI-BHEUDDMMSA-N 365.561 6.046 0 40 FKAB O=C(O[C@@H](c1ccc(Cl)cc1)c1nccc2ccccc12)c1ccccc1 4321424 LECKNMNONXHEAV-QFIPXVFZSA-N 373.839 5.835 0 40 FKAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 4934983 KWQQDXYJANMVAP-GMAHTHKFSA-N 374.415 5.077 0 40 FKAB Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)cc2c1[nH]c1ccccc12 5441302 GRIQPVRUNYTOBW-UHFFFAOYSA-N 369.346 5.296 0 40 FKAB COc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5460361 JGGBPPKNCKVNQM-TZIWHRDSSA-N 373.431 5.330 0 40 FKAB CC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 5499834 ZCIOYSFIUHWWEH-UHFFFAOYSA-N 372.443 5.753 0 40 FKAB CCOc1ccccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 5898487 MILGJODAJLTTCU-UHFFFAOYSA-N 374.815 5.566 0 40 FKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 6416685 XWYKKUSKMPDNRS-AYVTZFPOSA-N 367.301 5.609 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 6449815 WHUFNRYPHVHGAF-AWEZNQCLSA-N 353.849 6.366 0 40 FKAB COc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1Cl 6948728 WUFRDURBGAISJY-UHFFFAOYSA-N 362.820 5.097 0 40 FKAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1cccc2ccccc12 7604041 JMVNLQHOPPWSRK-UHFFFAOYSA-N 356.805 5.169 0 40 FKAB CC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCc1ccccc1-3 8036210 OQXMLTAUHAVWSY-UHFFFAOYSA-N 360.438 5.107 0 40 FKAB CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F 11238497 IVYLIGHNJLCCRJ-UHFFFAOYSA-N 372.490 5.400 0 40 FKAB Cc1cccnc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 11701029 AUEIYMVRAIUCLZ-UHFFFAOYSA-N 373.431 5.249 0 40 FKAB Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C)sc3n2)cc1 12250943 RVYMDCOCNCUFTA-UHFFFAOYSA-N 373.481 5.415 0 40 FKAB Cc1ccc(-c2ccsc2C(=O)NCCc2c[nH]c3ccccc23)cc1 12760039 YVIJLHBYXZWLSA-UHFFFAOYSA-N 360.482 5.177 0 40 FKAB Cc1ccc(/C=C2\C[C@H](C)CC3=C2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 13496597 ZNYUDPJGWDILSJ-WVRBRBFTSA-N 374.553 5.590 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 13670146 KBVSQHBJCZNREZ-INIZCTEOSA-N 369.505 5.273 0 40 FKAB CCC(=O)Sc1[s+]sc2c1-c1cc(OC)ccc1NC2(C)C 13739432 IIQZQPGEVUYSHK-UHFFFAOYSA-N 352.526 5.456 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccc(F)c(Cl)c1 15291757 BGXGRTOIFRVHQO-UHFFFAOYSA-N 362.876 5.777 0 40 FKAB Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1F 18918493 ZPCMCFPTAOUUEB-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB COc1ccc(-c2cc(-c3nc4ccccc4n3C)c3ccccc3n2)cc1 23055304 PXRZELIWGYJEIH-UHFFFAOYSA-N 365.436 5.464 0 40 FKAB O=C(Nc1ccccc1N1CCc2ccccc2C1)c1ccccc1Cl 25798261 YRAQFVWAWXVOAA-UHFFFAOYSA-N 362.860 5.155 0 40 FKAB Cc1cc2oc(C(=O)Nc3nonc3-c3cccs3)c(C)c2cc1Cl 27991700 QMCLVCLNGMUHSX-UHFFFAOYSA-N 373.821 5.067 0 40 FKAB CC(C)(C)c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1 28580263 XGSYIUMLKNEKBJ-UHFFFAOYSA-N 359.274 5.059 0 40 FKAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 30006560 FAGSNOAFTCJDHT-CYBMUJFWSA-N 367.836 5.329 0 40 FKAB Cc1noc(C)c1CCC(=O)Oc1ccc(-c2ccccc2)cc1Cl 32674816 XDRSJIXXBYLWKT-UHFFFAOYSA-N 355.821 5.150 0 40 FKAB Cc1cc(C)c(NC(=O)CCCSCc2cccc(Cl)c2)c(C)c1 58045980 PDYVETZMQXCHGP-UHFFFAOYSA-N 361.938 5.917 0 40 FKAB O=S(=O)(c1cccc(Cl)c1)c1cnc2cc(Cl)ccc2c1Cl 72329828 DSSRQOXPYQDYTC-UHFFFAOYSA-N 372.660 5.028 0 40 FKAB CC(C)[C@H](C)N(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CC1 84409889 RPMIVQLYLSAENX-JTQLQIEISA-N 354.928 5.174 0 40 FKAB COc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 106980088 UEGIMQIGBKFGFM-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(F)c(C(F)(F)F)c2)c1 199716464 RRIXPBPPNXGYTE-UHFFFAOYSA-N 370.346 5.621 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)c1cccc(OCc2ccccc2Cl)c1 219839737 IXZABEHHXLNUTR-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc2ccccc2c1 222822098 OKADNHKTNMFCAB-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 224172184 OYLSKLQIHIWUPO-UHFFFAOYSA-N 371.845 5.181 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)C1(c2ccccc2)CCCC1 225019279 DPLUKWCIBWZFDZ-UHFFFAOYSA-N 373.521 6.288 0 40 FKAB CC(C)(C)c1ccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225090899 GQBUNLPXAQHZES-QGZVFWFLSA-N 367.272 5.366 0 40 FKAB Cc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Cl)cc1 225774349 IKKVAPGFWXQDOO-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c2ccccc12 225830934 PLYVRNHFOFBQCO-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB FC(F)(F)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225859534 LOMSWBFFLYEDCK-UHFFFAOYSA-N 354.397 5.054 0 40 FKAB COc1cccc2c1OC(C)(C)[C@H]1C[C@H]3c4ccccc4CC[C@@H]3O[C@H]21 257251383 JQNJRKMSXUTFRZ-VNYTWHDVSA-N 350.458 5.042 0 40 FKAB CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)CSCC(=O)O 521825358 CGVFZPNOGIKIDP-ROUUACIJSA-N 373.603 5.066 0 40 FKAB NCc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1848350030 UQEYZDXHHMETHQ-UHFFFAOYSA-N 361.488 6.153 0 40 FKAB O=C(CCCCCCCCCCc1ccccc1)c1ccc(Cl)cc1 1595085 LKDTVXVHQQACKB-UHFFFAOYSA-N 356.937 7.276 0 40 FKAB O=C(NC1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2085914 LYRLHJKSSCMIGH-UHFFFAOYSA-N 364.876 5.618 0 40 FKAB CCc1cc(=O)oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2119281 GARNCPLIDPEOSJ-UHFFFAOYSA-N 366.416 6.436 0 40 FKAB biogenic CCc1nc(-c2ccccc2)c(-c2ccccc2)c2cc(OC)c(OC)cc12 2266740 KVPJUTWLSYLQDR-UHFFFAOYSA-N 369.464 6.148 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CCCC1 2512661 GIPRHPLQZICYDT-UHFFFAOYSA-N 355.481 5.404 0 40 FKAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(OC(F)(F)F)cc1 3284883 UZDAMEGCBWYZMW-UHFFFAOYSA-N 370.377 5.023 0 40 FKAB Fc1cc(Br)ccc1Oc1ccnc2cc(Cl)ccc12 3340517 UOFZXOJXITZDKS-UHFFFAOYSA-N 352.590 5.582 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 4153244 RYNLREFQVNABQJ-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB O=C(Sc1ccccc1)c1ccccc1C(=O)Sc1ccccc1 4671290 DCPRPUDCLMPVAM-UHFFFAOYSA-N 350.464 5.552 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2c(F)cccc23)cc1 4970103 LLZNTEVKZUKCGG-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB Cc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3cccs3)o2)o1 5505548 SQVBCDKHVPVSON-LLVKDONJSA-N 370.459 5.010 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 6243013 QLIQZVZLGGHJRC-JWAFFJSPSA-N 372.921 5.380 0 40 FKAB CCc1ccc2c(CSc3cc(C)c4ccccc4n3)cc(=O)oc2c1 6319734 NLXPFLYZDMUJEI-UHFFFAOYSA-N 361.466 5.504 0 40 FKAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(Cl)cc4)sc32)s1 6479726 UKOQHTCSVVRJRU-UHFFFAOYSA-N 359.863 5.120 0 40 FKAB Cc1ccsc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 6732844 CMGUXDWWOAURKL-KXBFYZLASA-N 352.484 5.360 0 40 FKAB Clc1cccc(CSC2=NC3(CCCCC3)Nc3ccccc32)c1 8023561 UENPBCRQAJMECJ-UHFFFAOYSA-N 356.922 6.106 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(Br)cc1 11689903 VZRNUBBITORQRC-UHFFFAOYSA-N 370.246 5.280 0 40 FKAB COc1ccc(Nc2nnc(-c3cccs3)c3ccccc23)cc1OC 12727462 NJSWNAKJZLONOV-UHFFFAOYSA-N 363.442 5.119 0 40 FKAB Cc1cnc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)s1 12823593 PWBQVEVESQVXHU-UHFFFAOYSA-N 367.455 5.087 0 40 FKAB CC(C)C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 12891777 QNOUFHUSNKPVDK-QGZVFWFLSA-N 370.543 5.318 0 40 FKAB CC(C)(C)n1c(-c2ccc(F)cc2)cs/c1=N\Cc1ccc(Cl)cc1 13400952 OCBUCTZXXHUIBN-NMWGTECJSA-N 374.912 5.865 0 40 FKAB CCCOc1ccc(NC(=O)Cc2cccc3ccccc23)c2cccnc12 15840961 JLIALUHPKPSSMO-UHFFFAOYSA-N 370.452 5.358 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 20462211 PFJJAYOGORKWTD-BEFAXECRSA-N 361.938 5.724 0 40 FKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)cc1 22073009 WEDHAZOGJWOZPR-UHFFFAOYSA-N 373.500 6.324 0 40 FKAB Clc1ccc(COc2ccc(CNC3CCCC3)cc2)c(Cl)c1 22074229 AXCSMBWGQYNZAV-UHFFFAOYSA-N 350.289 5.605 0 40 FKAB Fc1ccccc1CCNCc1ccc(-c2ccc(Br)cc2)o1 22076610 QKCCDIHMYVOUGT-UHFFFAOYSA-N 374.253 5.181 0 40 FKAB Fc1ccc(-c2nc(CN(Cc3c(F)cccc3Cl)C3CC3)co2)cc1 24752638 HYIKMDZGRZOGMC-UHFFFAOYSA-N 374.818 5.438 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(-c3ccccc3)cc2)C1 26898210 KBUDGPICMAEAGO-HXUWFJFHSA-N 352.478 5.165 0 40 FKAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3F)c(C)s2)cc1 32752829 FIXRNIKIKCVWGX-UHFFFAOYSA-N 358.413 5.412 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 33611877 JKOIIBRLFPRCQS-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB O=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 35662315 FMXPTSRCKGIGCW-UHFFFAOYSA-N 350.028 5.692 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 44901930 PUKNPXUHRHOFRR-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB CC1=Nc2c(cnn2-c2ccccc2Cl)[C@@H](c2ccc(O)cc2)S1 79491802 SLMNMJCAYJCHKQ-QGZVFWFLSA-N 355.850 5.117 0 40 FKAB CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 85430320 JMUTXESOAZLSHB-MGPUTAFESA-N 362.473 5.306 0 40 FKAB Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 101214970 UESRSGGAWUCSIK-IRLDBZIGSA-N 373.887 6.144 0 40 FKAB C[C@@H]1C(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 102695827 YOCSCRSTBWZYLM-PXMUBCGSSA-N 350.289 5.012 0 40 FKAB O=C(/C=C/c1ccccc1Cl)N1CCS[C@@H](c2ccccc2)CC1 211139306 RVTALNCDYOUTOG-GNISGLHKSA-N 357.906 5.060 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 216495322 HSPBRRKQABNJOF-LJQANCHMSA-N 365.517 5.059 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccccc1 222910964 YJAMMSGZSFRMOC-FQEVSTJZSA-N 371.546 5.050 0 40 FKAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)cc1C 223215027 CUOZVEYFHOJHTN-NRFANRHFSA-N 353.506 5.382 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225261162 FGFUOIABGZBJGP-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@H]2C(C)=O)C1 256464552 VYIIGPBTHBMATO-VGAXUYSNSA-N 356.506 5.006 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O 409014089 FAFXVZDNFYJTES-RFKJHBGOSA-N 356.491 5.447 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1C 675327 XYPQYQBSXIMTIW-UHFFFAOYSA-N 360.295 5.616 0 40 FKAB CCc1nc(SCC(=O)c2cccs2)c2c3c(sc2n1)CCCC3 1223157 GXKVBGNIMFICMF-UHFFFAOYSA-N 374.556 5.169 0 40 FKAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 1470249 YVXLATFFKBSVCH-UHFFFAOYSA-N 372.399 5.070 0 40 FKAB Cc1ccc(C(=O)Oc2cc3c4c(oc3cc2C(C)(C)C)CCCC4)cc1 2286153 JAWQSMPHDMPXPH-UHFFFAOYSA-N 362.469 6.137 0 40 FKAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1Cl 2452848 DDTGLENNDKCWJK-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB CSc1ncccc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 2629099 WJAOWPZDYSAGMY-UHFFFAOYSA-N 369.515 5.105 0 40 FKAB Cc1ccc(-c2nc(-c3cc4cc(Cl)ccc4oc3=O)sc2C)cc1 2964184 BZRHIWPJIVFROH-UHFFFAOYSA-N 367.857 5.854 0 40 FKAB COc1ccc(/C=C/C(=O)Oc2ccc3oc4ccccc4c3c2)cc1OC 3281660 JYFIQABIXMMCBG-XYOKQWHBSA-N 374.392 5.222 0 40 FKAB c1ccc(Oc2ccc(Nc3ncnc4c3oc3ccccc34)cc2)cc1 3284437 PIXIIPPAYNLDAL-UHFFFAOYSA-N 353.381 5.912 0 40 FKAB Clc1ccc(-c2nc(CN[C@@H]3CCCc4ccccc43)cs2)cc1 3339140 ABIIQSBNKUQSRU-LJQANCHMSA-N 354.906 5.631 0 40 FKAB C(=C/c1nc2ccccc2o1)\c1ccc(/C=C/c2nc3ccccc3o2)cc1 3894783 ROOBECXHWOYDIL-WXUKJITCSA-N 364.404 6.310 0 40 FKAB CC(C)CC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 4359678 YQGXPQVAWHIZOF-UHFFFAOYSA-N 372.468 5.650 0 40 FKAB CC(C)(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 4566729 SAXNNECDMPYURE-UHFFFAOYSA-N 352.481 6.708 0 40 FKAB C[C@@H]1C(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 4652814 YOCSCRSTBWZYLM-LVSUZTCWSA-N 350.289 5.012 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 4863256 HDPBXTWXTZJAAJ-FYYLOGMGSA-N 374.871 5.891 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2c1 5515544 WZRFVDIDMZYSAD-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2ccccc2c1 6270141 YXBWHRFFGMUDBW-UHFFFAOYSA-N 364.876 5.736 0 40 FKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 6471984 HSSTVXPLAOBMAD-YBFXNURJSA-N 362.406 5.283 0 40 FKAB CC(C)CC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6983591 CKGGMZYKFMJHJM-QGZVFWFLSA-N 354.881 5.116 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699505 BLUADDWPIZEBDM-UHFFFAOYSA-N 365.860 5.734 0 40 FKAB CC(=O)N[C@H](C)c1ccc(C(=O)c2cc3c(ccc4ccccc43)o2)cc1 12999110 RJODBOFYLKGHOX-CQSZACIVSA-N 357.409 5.014 0 40 FKAB CCc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14049920 SCOBHHOLTSWUKB-UHFFFAOYSA-N 354.837 5.129 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 14242768 HWTLIMCANSRHRC-INIZCTEOSA-N 371.908 5.777 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1OCC 15643791 VNNOBCSVFUIUTD-UHFFFAOYSA-N 361.441 5.403 0 40 FKAB Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccccc1 15880462 NFQZJEIEGCHQOP-UHFFFAOYSA-N 357.409 5.573 0 40 FKAB biogenic Fc1ccc(COc2ccccc2CNCCc2c[nH]c3ccccc23)cc1 16449681 DWFKZVKFBMIVPY-UHFFFAOYSA-N 374.459 5.218 0 40 FKAB CCCn1c2ccccc2c2cc(/C=C3/Cc4cccc5cccc3c45)ccc21 17185859 UIWHXTAANDIYIJ-JWGURIENSA-N 373.499 7.454 0 40 FKAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccccc1Oc1ccccc1 17198353 RWZPTVWRORNLKE-NRFANRHFSA-N 365.429 5.397 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl 20485228 CUFUGXUDDUOOPX-UHFFFAOYSA-N 356.897 5.133 0 40 FKAB Cc1cccc(-c2cc(NC(=O)c3ccccc3F)n(-c3ccccc3)n2)c1 21944833 UDTOOGSMNBWXPT-UHFFFAOYSA-N 371.415 5.239 0 40 FKAB Clc1ccc(COc2ccccc2CNC2CCCC2)c(Cl)c1 22074223 DBFMBEYAXPBHKH-UHFFFAOYSA-N 350.289 5.605 0 40 FKAB Cc1nc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)oc1C 22406280 UWOKWNBIOBTGMV-UHFFFAOYSA-N 357.435 5.253 0 40 FKAB CC(C)C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1 22511308 JYAORUZMINDOHI-QFIPXVFZSA-N 351.534 5.820 0 40 FKAB Cc1nc(CSc2nc3ccccc3s2)c(Br)s1 26511848 AQJYDIGZYYWKIT-UHFFFAOYSA-N 357.323 5.116 0 40 FKAB Cl/C(=C/c1ccc(Br)cc1)c1ncc(-c2ccccc2)o1 33475727 RTUYIXYWUGGBLF-XNTDXEJSSA-N 360.638 5.841 0 40 FKAB CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1 35556167 FHSAQAQSIRUJPP-GOSISDBHSA-N 367.813 6.025 0 40 FKAB Cc1ccccc1[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 44900255 FGECQKNKQOQRDU-HSZRJFAPSA-N 361.510 5.383 0 40 FKAB Cc1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 64471578 LBLFBXSHTHVFBX-UHFFFAOYSA-N 363.436 5.052 0 40 FKAB CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC 72215231 ACNVLENRHNVGCA-FUHWJXTLSA-N 361.530 5.169 0 40 FKAB Cc1csc(C2(NC(=O)Nc3ccc(C(F)(F)F)cc3)CCCC2)n1 72288964 JXJYINIJZZCTIT-UHFFFAOYSA-N 369.412 5.061 0 40 FKAB CC(C)c1ccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 72390080 XWLSUIYVWSHAIS-GOSISDBHSA-N 367.518 5.301 0 40 FKAB Fc1ccc(-c2nc(Cl)cc(-c3ccc(Br)cc3)n2)cc1 78401199 ITMNFGVPKCZBMH-UHFFFAOYSA-N 363.617 5.366 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1coc3ccc4ccccc4c13)C2 100860144 MSKTWIRSGRAZTP-IQOKHDRSSA-N 361.485 5.460 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223105784 AEWORJACUQYGSR-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB Cc1ccc(C)c(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 223981523 FSYOROBZUJILEK-PTGBLXJZSA-N 371.480 5.039 0 40 FKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225540575 PAYWWRIJNVXWMG-UHFFFAOYSA-N 351.490 5.543 0 40 FKAB CC(C)Oc1ccc(CCCNC(=O)C2(c3ccccc3)CCCC2)cc1 225682120 NVBXBANYRBPEMR-UHFFFAOYSA-N 365.517 5.035 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 409001133 URUJXNBIEKSOJH-SLGMMFRCSA-N 369.464 5.835 0 40 FKAB O=C(NCCSCc1cccc(Cl)c1)Nc1ccc(Cl)cc1 409406348 BWIXIIBGIFVFDA-UHFFFAOYSA-N 355.290 5.048 0 40 FKAB Cc1ccc2c(c1)OC1(CCN(C3CCCCC3)CC1)[C@@H]1CCCO[C@@H]21 1615155177 OYWVMYPRMZVTFP-IRLDBZIGSA-N 355.522 5.022 0 40 FKAB Cc1nn(C(=O)c2sc3ccccc3c2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 751933 GATWXWVOWDQARF-IAQYHMDHSA-N 356.878 5.044 0 40 FKAB O=C(Nc1cccc(Cl)c1)[C@H]1CC2c3ccccc3C1c1ccccc12 825292 BEBOOZPBGCKVKJ-ORFBVSJDSA-N 359.856 5.576 0 40 FKAB CC(C)c1ccc(O[P@](C)(=O)Nc2ccccc2Br)cc1 1267270 BQSLPXMVGJIHKH-NRFANRHFSA-N 368.211 5.886 0 40 FKAB Cc1cc(C)c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(Cl)c1 1910523 ZOLTWNFTUHVWOP-UHFFFAOYSA-N 373.924 6.052 0 40 FKAB CCSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 2255141 WYLXMXNWTKVALI-UHFFFAOYSA-N 368.546 5.046 0 40 FKAB Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccccc2)cc1 2572971 FHTHXFYMRAJHFY-QFIPXVFZSA-N 366.913 6.755 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 2788818 OBHUGHPNBRIAPI-GFCCVEGCSA-N 366.490 5.140 0 40 FKAB Cc1ccc(Nc2nnc(SCc3c(F)cccc3Cl)s2)cc1 3377467 YLAZOVFZZGIAFL-UHFFFAOYSA-N 365.886 5.675 0 40 FKAB C[C@@H](Sc1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 3503748 LESNEJUVXQSHHI-MRXNPFEDSA-N 365.473 5.212 0 40 FKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1 5035489 QLXXJOIAXKKWLS-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB Cc1nn2c(NCCC(C)C)cc(-c3ccccc3)nc2c1-c1ccccc1 5323989 GUJQQKMKCRNCRZ-UHFFFAOYSA-N 370.500 5.830 0 40 FKAB COc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)cc1Cl 5404959 XWOODPBOVYLPLZ-UHFFFAOYSA-N 364.879 5.094 0 40 FKAB Cc1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1 5959755 NFRZYQRKEWFERB-UHFFFAOYSA-N 366.589 7.184 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)cc1 6300421 HDQAJATVSZYIKR-UHFFFAOYSA-N 352.817 5.447 0 40 FKAB CCCOc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1OCC 6650084 UQLHNXNQUNHSTK-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB Cc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383096 CKKPBWNMSSRBCV-UHFFFAOYSA-N 372.468 5.640 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 8328038 FACYQDWNMCVXDL-DEOSSOPVSA-N 368.480 5.201 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1SC(F)F 12760366 IWWZXAYTLATUNK-UHFFFAOYSA-N 359.397 5.415 0 40 FKAB CC(C)n1ncc2cc(C(=O)Nc3ccc4oc5ccccc5c4c3)cnc21 12821975 ZPPWQJMAXNWBMU-UHFFFAOYSA-N 370.412 5.164 0 40 FKAB O=C(NCCc1cccc(F)c1)N1c2ccccc2Sc2ccccc21 13574581 NGWULBDHMAGDTJ-UHFFFAOYSA-N 364.445 5.381 0 40 FKAB Cc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 14082196 FOFZARJBVKEZRJ-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB Fc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 16401610 DOMTZKKDHQKBEO-UHFFFAOYSA-N 373.830 5.487 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2C)c1 17074176 YROGKPVRZQGNJS-KRWDZBQOSA-N 359.897 5.302 0 40 FKAB CC1=CN(c2ccc(Br)cc2)C(=O)N(c2ccccc2)N=C1C 28526905 KRXVCCKXANBOCI-UHFFFAOYSA-N 370.250 5.175 0 40 FKAB CCOc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(Cl)cc1O 36612588 FVIJOINFORLWCZ-OAHLLOKOSA-N 367.832 5.072 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(Cl)cccc1Cl 44886356 SEZMKZHWOYVVBO-HNNXBMFYSA-N 352.261 5.406 0 40 FKAB COc1ccc([C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 67319279 OGENAHRLWVRHKR-DEOSSOPVSA-N 371.480 5.093 0 40 FKAB CC(=O)c1ccc(-c2ccc([C@H]3CC(O)=Nc4c3cnn4C(C)C)o2)cc1 71287530 NJHNTIZFYLPLPB-INIZCTEOSA-N 363.417 5.050 0 40 FKAB CC(C)CNc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72213285 DRMLKRMPKXSMME-HXUWFJFHSA-N 367.493 5.013 0 40 FKAB Oc1nc(/C(Cl)=C\C=C\c2ccccc2)nc2sc3c(c12)CCCC3 84515194 DRMSVRIVEMGCMI-AOLDMILESA-N 368.889 5.569 0 40 FKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 95917333 ATQILRVXVZVSMC-UHFFFAOYSA-N 350.417 6.377 0 40 FKAB CC(C)(C)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 98073099 GKZWABMHXRZUHB-UHFFFAOYSA-N 370.802 6.300 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 199715965 QHHACTQSCQJIIN-UHFFFAOYSA-N 363.255 5.226 0 40 FKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 216438391 IUDMEGXTVZWDSX-UHFFFAOYSA-N 363.482 5.529 0 40 FKAB C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)CCCC2 222904747 KJLIKMMBBLITAF-OAHLLOKOSA-N 373.949 5.329 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccc(OC)c(Cl)c2)c2ccccc2O1 225400409 ZZDXIRAOHLRQJC-KRWDZBQOSA-N 373.880 5.161 0 40 FKAB O=C(CCc1ccc(F)cc1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225509864 ODXONQAPLBOJRF-FQEVSTJZSA-N 367.464 5.101 0 40 FKAB CCCO[C@@](C)(C(=O)Nc1ccc(OCc2ccccc2)c(C)c1)C1CC1 225673829 RGGPYDKDTWBCST-HSZRJFAPSA-N 367.489 5.108 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc(Cl)ccc2oc1=O 226041465 LGHMEZHULOWCNH-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB COc1ccc(-c2cc(C)nc(SCc3ccc(Cl)cc3)n2)cc1 409386642 WBSIQCXVGDXKFX-UHFFFAOYSA-N 356.878 5.406 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)c1ccccc1 2049238330 GUFISKMWHBUYOH-RMDWRZMBSA-N 352.562 6.307 0 40 FKAB Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1Sc1ccccc1 955208 ZHMHWQSJGHBSJD-UHFFFAOYSA-N 371.465 5.093 0 40 FKAB Cc1ccc([C@]2(CCN[C@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 1759463 NKGXTFCIHUTLTA-NQHRYMMQSA-N 365.561 5.809 0 40 FKAB biogenic C[C@@H](Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)c1ccccc1 2180078 HJEGEVXNQGHKHU-VULIGXMUSA-N 369.420 5.171 0 40 FKAB CC(C)N(C(C)C)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3122352 DDWZKZQVNFJJKL-UHFFFAOYSA-N 367.899 6.158 0 40 FKAB CC(C)c1ccc(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 3221260 NPAHPHVUHLGFMW-UHFFFAOYSA-N 369.515 5.380 0 40 FKAB O=C(c1cccs1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 3378867 MPKVDXKSXFCGSU-UHFFFAOYSA-N 370.886 5.990 0 40 FKAB COc1cc(SC)ccc1C(=O)N(c1ccccc1)c1nc(C)cs1 3486454 MJBLABFUGLMKGD-UHFFFAOYSA-N 370.499 5.161 0 40 FKAB C[C@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1ccco1 3765550 FRCBWDRTYXZHRL-GOSISDBHSA-N 372.468 5.034 0 40 FKAB CCCCc1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 4000044 ORILIVMNEMDHCT-UHFFFAOYSA-N 363.457 5.055 0 40 FKAB biogenic Cc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(F)cc3)cc1CS2 4091862 ATEXKZWGNXBTPW-UHFFFAOYSA-N 355.459 5.721 0 40 FKAB O=C1O[C@@H](c2ccc(Cl)cc2)C2(CCCCC2)C(=O)C12CCCCC2 4834830 IFJFQNCCKABWIA-KRWDZBQOSA-N 360.881 5.408 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 6243174 BDIAZRRATJMPJH-OAHLLOKOSA-N 370.518 5.114 0 40 FKAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1Cl 8392201 LEQUNSLARWRBHY-JTQLQIEISA-N 351.258 5.897 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3F)ccc2c1 12864839 VBANLTKSTSHBNA-UONOGXRCSA-N 369.411 5.108 0 40 FKAB Clc1ccccc1CCCNc1ccc(OCCc2ccccc2)cc1 19738293 YLFVSGNXVORXBF-UHFFFAOYSA-N 365.904 6.006 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 20049626 UCAMTVWENPZTGJ-ICSRJNTNSA-N 364.533 5.026 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC(c1ccccc1)c1ccccc1 20456637 QMBQZPQXTIKCDR-JOCHJYFZSA-N 373.496 5.367 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 20491233 CPLPZIDDKQVQQX-QFIPXVFZSA-N 355.437 5.789 0 40 FKAB COc1ccc(Nc2ccc(NC(=O)c3c(C)noc3C(C)C)cc2)cc1 40049169 RYNGTKINISGULE-UHFFFAOYSA-N 365.433 5.111 0 40 FKAB O=C(Nc1ccc(F)cc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40151609 AWDIONMGTMCJKK-UHFFFAOYSA-N 373.815 5.032 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478277 YTEHIBBGNKKQMI-UHFFFAOYSA-N 365.742 5.001 0 40 FKAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 49548509 GLHNBPLYXQUDNH-UHFFFAOYSA-N 364.474 5.010 0 40 FKAB C(=C1\CCCc2c(-c3ccccc3)nn(-c3ccccc3)c21)\c1ccccc1 51330346 MXCCQVCRPWZQOV-ZBJSNUHESA-N 362.476 6.416 0 40 FKAB CCCCc1ccc2nc(Nc3nc4cc(C)cc(C)c4o3)sc2c1 57352886 FBIRZKXHNNDPKQ-UHFFFAOYSA-N 351.475 6.141 0 40 FKAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc2ccccc2[nH]1 71814737 DPXFRZHUZRNBQI-UHFFFAOYSA-N 359.454 5.108 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl 106964261 RIASDAAONRJVCH-UHFFFAOYSA-N 358.696 6.356 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1 224056465 BFCWXNBZGXLISS-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225468135 KLTKDULDFWPXTG-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB COc1ccc(Nc2nc(-c3ccccc3)[n+](-c3ccc(C)cc3)s2)cc1 1821617 XXGUKQQXCNUTEL-UHFFFAOYSA-O 374.489 5.147 0 40 FKAB Cc1ccc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2246472 GGVMYQFGUFMXOR-UHFFFAOYSA-N 356.454 5.065 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2790646 VIUOBJBVQXMJTB-HNNXBMFYSA-N 359.897 5.960 0 40 FKAB Cc1ccc(C2=C[C@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1 2917795 MMGOYGKUCMECEZ-HSZRJFAPSA-N 351.453 5.709 0 40 FKAB aggregator c1ccc(-c2cn(-c3ccccc3)c3ncnc(N4CCCCCC4)c23)cc1 2974826 FUNIYCDTKMICAT-UHFFFAOYSA-N 368.484 5.468 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccc(Cl)cc2)CCC1 3359678 GEOANIOEVHLJIW-UHFFFAOYSA-N 367.798 5.097 0 40 FKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1 3443660 OVKPRJOIIRHLGI-UHFFFAOYSA-N 359.863 5.292 0 40 FKAB Cc1cccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)c1 4072106 KDWHNNRNSWZCBS-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB Cc1ccc2oc(-c3cc(NC(=O)c4ccncc4)ccc3Cl)nc2c1 4893831 IHBVSTFJBQZCHU-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5455086 CUQXBPPKTXCGKG-IRLDBZIGSA-N 357.432 5.630 0 40 FKAB CC(C)CCNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5497799 OXAWKYQIKSPZHU-UHFFFAOYSA-N 369.470 6.644 0 40 FKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036377 YRMMDRYFJOUBOL-OLSVQSNTSA-N 360.582 5.335 0 40 FKAB CC(C)(C)c1ccc(OCc2cccc(-c3nc4ccccc4s3)c2)cc1 6262706 SQBODOVDXNNPQM-UHFFFAOYSA-N 373.521 6.840 0 40 FKAB Cc1ccc2nc3c(cc2c1)c(NC(=O)C1CCCCC1)nn3CC(C)C 6785704 TYOIXNGUDQOHDC-UHFFFAOYSA-N 364.493 5.068 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)s1)Oc1ccc(-c2nnco2)cc1 7780106 OZTUHDXEALHVCQ-ACCUITESSA-N 374.421 5.084 0 40 FKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccccc4)ccc3O)nc2c1 10010680 HIZOZEYJCUHPBB-UHFFFAOYSA-N 358.397 5.070 0 40 FKAB Cc1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 11915752 WSIJHJQTLWZEND-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)c(C)c1 12562340 DKUVCGBODDVWHA-OAHLLOKOSA-N 365.502 5.174 0 40 FKAB C[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1F 12848709 ICELTSHTKHOXGL-AUUYWEPGSA-N 354.450 5.037 0 40 FKAB Cc1cc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)on1 14185549 WBRMMTSOLYRXHP-UHFFFAOYSA-N 363.851 5.193 0 40 FKAB CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3ccsc3)n2)s1 14197026 RTINEDMUXUFDDC-UHFFFAOYSA-N 362.545 5.262 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3Cl)o2)cc1 15326021 PSPAXUSTMRZXSI-UHFFFAOYSA-N 353.805 5.363 0 40 FKAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 20633008 AHCZRPUPWSDBBI-MRXNPFEDSA-N 350.849 5.055 0 40 FKAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc2c(ccn2Cc2ccccc2)c1 32093811 NPCOVWNUEBXNLK-UHFFFAOYSA-N 365.436 5.423 0 40 FKAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 39860702 ZQYDPQMARFDESN-PDGQHHTCSA-N 365.841 5.734 0 40 FKAB CC(C)c1ncc(CN[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cn1 57774214 FWWIJUZGOPAXGF-UWHLTILDSA-N 369.940 5.315 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)c1 58171547 LKFGNKHVBISKNX-UHFFFAOYSA-N 354.500 5.472 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(F)cc2C)ccc1Br 71761223 WRRCFGXNBJCLMY-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C 72215229 NVNWYYCPAHNRHS-SJLPKXTDSA-N 361.530 5.167 0 40 FKAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC[C@H]2CCC[C@H]21 75104802 XJKQFOYEAZMGJL-WIYYLYMNSA-N 356.510 5.332 0 40 FKAB COc1ccc([C@H](C)N[C@@H](C)c2c(F)cccc2F)cc1Br 97393783 OAHQBBSTRVPNLM-QWRGUYRKSA-N 370.237 5.148 0 40 FKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2[C@@H]1c1ccsc1 102229938 XOMUHERBRRTMMO-FQEVSTJZSA-N 356.454 5.063 0 40 FKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](CC(C)C)C3=C(O)C2)cc1 102741152 XPHGYKBWPQGWFU-NVXWUHKLSA-N 366.461 5.597 0 40 FKAB C[C@]12C(c3ccccc3)=C(c3ccccc3)[C@@H](c3ccccc31)[n+]1ccccc12 104137502 IHHJUAPMWDWYNN-IZLXSDGUSA-N 372.491 5.808 0 40 FKAB CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118915201 PISMGMNRZZPIQZ-FQJIPJFPSA-N 360.538 5.310 0 40 FKAB biogenic COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118935441 YHTRVWPOAJKWBV-VYPZBVOESA-N 374.609 6.625 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)on1 224066856 RAWBXZXAVOZXQT-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB CC(C)(C)c1ccccc1O[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 225088046 VZQRXUSVQVIZOY-QGZVFWFLSA-N 367.272 5.366 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1 225504019 YIDOPBRYZZHYRM-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB CCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225613852 XKVFIPZXKSCILS-JOCHJYFZSA-N 355.478 5.026 0 40 FKAB CCCO[C@@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]12C)OCCO5 253610305 XXOMRYJCPZNLCW-LDENHOCBSA-N 374.565 5.488 0 40 FKAB CCc1c(C(=O)Nc2ccccc2-n2cccn2)oc2cc(C)c(C)cc12 526052219 FXPAIWBDTONBRX-UHFFFAOYSA-N 359.429 5.050 0 40 FKAB Cc1cccc2sc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)nc12 682443 IRETWQFJLRUGJK-OAHLLOKOSA-N 352.503 5.545 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(-c2ccccc2)cc1 1710848 MGUZTXXISNAEDO-VWLOTQADSA-N 364.444 5.937 0 40 FKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 2050772 OKLINAKGXRWZBC-UHFFFAOYSA-N 372.424 5.536 0 40 FKAB Cc1cc(=O)oc2c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2148968 XMSPGXQZYPRVBC-UHFFFAOYSA-N 366.416 6.490 0 40 FKAB biogenic CCCCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCCC2 2260793 RZKZLBCODYOPTA-UHFFFAOYSA-N 366.534 5.061 0 40 FKAB COc1cc(C(=S)NCC2CCCCC2)ccc1OCc1ccccc1 3338779 GBZFDLSZVWKLJV-UHFFFAOYSA-N 369.530 5.120 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12 7349024 GVKVQQCTSVMYHI-UHFFFAOYSA-N 374.465 5.958 0 40 FKAB O=C(NCCC1=CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 7700375 IBNDAJZXQDMRHH-UHFFFAOYSA-N 369.892 5.539 0 40 FKAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1Cl 8392204 LEQUNSLARWRBHY-SNVBAGLBSA-N 351.258 5.897 0 40 FKAB COc1cc(NC(=O)CCc2ccc(C(C)C)cc2)c(OC)cc1Cl 10363950 RSXXSYKTPSDOON-UHFFFAOYSA-N 361.869 5.052 0 40 FKAB Cc1csc(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 10774327 ZWOYIDBTHLLOQY-SECBINFHSA-N 371.409 5.374 0 40 FKAB CCC(CC)c1nnc(NC(=O)CCCc2nc3ccccc3s2)s1 12817970 INYYSXCWRHSGEO-UHFFFAOYSA-N 374.535 5.013 0 40 FKAB CCSc1ccccc1NC(=O)CSCc1cccc(Cl)c1 20492724 QHIRJQIZHBMPBW-UHFFFAOYSA-N 351.924 5.324 0 40 FKAB COc1cc2c(cc1NC(=O)CCc1ccsc1)oc1ccccc12 21888984 ISWILBYIUSOONZ-UHFFFAOYSA-N 351.427 5.227 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)n4c3c2CCCC4)cc1 27027131 YITFTNDIBJRLPA-UHFFFAOYSA-N 360.888 6.373 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(CC)cc2)cc1 27792854 VTCJHWOSDOQJJQ-UHFFFAOYSA-N 365.498 5.556 0 40 FKAB Clc1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716554 PTSGIYDZVYWRDZ-BJKOFHAPSA-N 371.867 6.263 0 40 FKAB CC(C)c1nc2cc(NC(=O)CCCC(=O)c3cccs3)ccc2o1 32818789 NGEAPRAVTAXHIW-UHFFFAOYSA-N 356.447 5.004 0 40 FKAB Clc1ccc(-c2cnn3c4c(c(-c5cccnc5)nc23)CCCCC4)cc1 35323934 WMVDIYOEBSMSTM-UHFFFAOYSA-N 374.875 5.381 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc(C)c1Cl 40913265 PRNXMECILOYMTA-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB CC(C)Oc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 44902011 GSONZXHSGFKKNE-UHFFFAOYSA-N 359.425 5.303 0 40 FKAB Cc1ccccc1NC(=O)c1sc(Nc2cccc(Cl)c2)nc1C 67322094 PNFGBBSLGCPTON-UHFFFAOYSA-N 357.866 5.409 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)CC(F)F 72314065 UAFWAPSOLNYQGB-UHFFFAOYSA-N 358.310 5.005 0 40 FKAB Brc1cncc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 73638616 MMXKDPQHNZETCP-UHFFFAOYSA-N 351.203 5.319 0 40 FKAB C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc2c(c1)CCCC2 222938717 GDJFGXZMHQUIEP-INIZCTEOSA-N 369.464 5.956 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969900 MTXCDYZXZPRPFR-QVKFZJNVSA-N 371.908 5.254 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221740 JULLALWIOTYSSL-VLIAUNLRSA-N 373.949 5.577 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1 224085270 CCRNORWPLUDWMH-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535452 KDKXZTQUDRLEOF-UHFFFAOYSA-N 351.490 5.543 0 40 FKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225616547 ZGCSDPXPTQJSQT-UHFFFAOYSA-N 363.542 5.507 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226355830 FSLJZIHAFGQTGZ-UHFFFAOYSA-N 363.413 5.195 0 40 FKAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1ccccc1C(F)(F)F 253471920 GPYLRWFJVALOBV-LBPRGKRZSA-N 362.351 5.204 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc32)o1 408616869 COVQKEJUQWXNLD-UHFFFAOYSA-N 351.789 5.500 0 40 FKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 409110194 UDAMNFPZIADHFS-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1C 409113548 HAAHBOHAJOMTEH-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1C 409121506 XMYXKZUJUARERK-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1cc(C)cc(Oc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)c1 632532 FPARYLOSVJLRIM-UHFFFAOYSA-N 370.456 5.355 0 40 FKAB O=C1C[C@@H](c2cccc(Br)c2)Nc2ccc3ccccc3c21 844694 AINKKTCYNXDARN-KRWDZBQOSA-N 352.231 5.342 0 40 FKAB CC[C@H]1CCCCN1C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 854720 LNGMHFCRZNIVBN-LBPRGKRZSA-N 367.276 5.362 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2O[C@H](C)C(=O)c2ccc(C)cc2)cc1 993169 RSWVQDKOKYBTFS-GOSISDBHSA-N 373.452 5.206 0 40 FKAB COc1ccccc1N[C@@H](c1ccccc1OC)c1c(C)[nH]c2ccccc12 1298090 OFQWDIWPBZRSFC-DEOSSOPVSA-N 372.468 5.695 0 40 FKAB COc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1 1447038 RXDVKPORFNGRDE-UHFFFAOYSA-N 364.489 5.594 0 40 FKAB Clc1ccc(-c2csc3ncnc(NC4CCCCCC4)c23)cc1 1986058 LVUCUFLPWKAZKZ-UHFFFAOYSA-N 357.910 6.146 0 40 FKAB CCCCCC(=O)n1nc(-c2ccc3ccccc3c2)cc1C(F)(F)F 2571101 XNKBWEFYMIPOJK-UHFFFAOYSA-N 360.379 5.943 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)c3ccccc3n2)s1 4156472 BHVYHJYXSBGJTM-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB Cc1ccc(-c2cn3c4ccccc4nc3n2CCNC2CCCCC2)cc1 4806569 WQYSFGWWKKDJGC-UHFFFAOYSA-N 372.516 5.187 0 40 FKAB Fc1cccc(-c2cc3nc4c(c(NCc5ccccc5)n3n2)CCCC4)c1 4980706 SWNPOSFJCCNWIR-UHFFFAOYSA-N 372.447 5.026 0 40 FKAB O=c1oc2cc(OCc3cccc(Cl)c3)c(Cl)cc2c2c1CCC2 5214191 TUSMCAUDLJXSRO-UHFFFAOYSA-N 361.224 5.168 0 40 FKAB O=C(Cc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 5462357 UCBMEAOBVMPCDT-UHFFFAOYSA-N 369.386 5.154 0 40 FKAB Oc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 5482807 BYNUBBWBGHJHNP-UHFFFAOYSA-N 355.699 5.092 0 40 FKAB biogenic COc1cccc(-c2nc(Oc3ccc(C)cc3C)c3ccccc3n2)c1O 5557409 CMMIYJCGZZQGJL-UHFFFAOYSA-N 372.424 5.420 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)NCCC12CC3CC(CC(C3)C1)C2 6083197 MZHVOVGDSBVSGF-UHFFFAOYSA-N 364.533 5.213 0 40 FKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 6961347 CRPWYRHUTNLYGB-UHFFFAOYSA-N 369.411 5.555 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2Cc2nc3ccccc3s2)cc1 7071485 QXQFKIKYJSDFIO-UHFFFAOYSA-N 358.466 5.448 0 40 FKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 8535312 RKDCOAARIZXBKN-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB Clc1cccc(-c2nnc(SCc3cccc4ccccc34)o2)c1 12178738 CHRDBSFXKACIQD-UHFFFAOYSA-N 352.846 5.836 0 40 FKAB CC[C@@H]1C[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1/C(C)=N\O 12412597 GIIPSNRPRUJDDZ-OBANZEOPSA-N 372.553 5.882 0 40 FKAB N#Cc1ccc(/C=C\c2ccccc2C=NNc2ccccc2)c([N+](=O)[O-])c1 13403184 CHYFQTBWBGACDI-HAYKLGDCSA-N 368.396 5.083 0 40 FKAB Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1 13960522 PXZLIQWTNHRWMU-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB COCc1c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)oc2ccccc12 14803765 HNQYUUHYHVCDBK-IBGZPJMESA-N 371.864 5.360 0 40 FKAB O=C(Nc1cc(F)ccc1F)c1nc(Cl)c(Cl)c(Cl)c1Cl 15005583 BTZGHWMILHALQH-UHFFFAOYSA-N 371.985 5.226 0 40 FKAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)o1 16434546 IQIDXWIAODFCTJ-CXAGYDPISA-N 356.853 5.343 0 40 FKAB Fc1ccccc1COc1ccc2ccccc2c1CNC1CCCCC1 16525859 RGOVKJUSHNLQGP-UHFFFAOYSA-N 363.476 5.980 0 40 FKAB FC(F)(F)Oc1ccc(NC(=S)Nc2cccc3c2CCCC3)cc1 18138487 WNFOPQBVEMYGGC-UHFFFAOYSA-N 366.408 5.273 0 40 FKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc(C)cc2)c2ccccc2)cc1 20108196 YSFMZYKTHXVHMK-FEQHDXENSA-N 371.480 5.422 0 40 FKAB O=C(Nc1nc(C2CC2)cs1)c1sc2cc(Cl)ccc2c1Cl 25560802 VLWJBQXTOSLYRP-UHFFFAOYSA-N 369.298 5.794 0 40 FKAB CCCc1cc(Nc2ccc(OCC)cc2)n2ncc(-c3ccccc3)c2n1 27585151 RDCDVBIKFFTIJA-UHFFFAOYSA-N 372.472 5.491 0 40 FKAB O=C(Nc1ccccc1Br)/C(=C/c1ccco1)c1ccccc1 28219558 HAEQMZNXESJUBL-DTQAZKPQSA-N 368.230 5.221 0 40 FKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(C)sc1C 32739278 QJPTWZQLUFLYDJ-UHFFFAOYSA-N 371.527 5.278 0 40 FKAB CCc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 36107973 QEEQKHHZXWEFCL-UHFFFAOYSA-N 366.486 5.154 0 40 FKAB Cc1nc(Nc2ccccc2)sc1C(=O)NCc1ccc(C(C)C)cc1 49403760 YVDQRYHXHKZZNG-UHFFFAOYSA-N 365.502 5.249 0 40 FKAB Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(Br)c1 51354248 YHPAQULHZKIBPZ-UHFFFAOYSA-N 373.172 5.420 0 40 FKAB Cc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c2c(C)noc2n1 61721426 RMXDSTKVENTQCD-UHFFFAOYSA-N 370.623 5.052 0 40 FKAB FC(F)(F)c1cnc(/C=C/Nc2ccc(Cl)cc2Cl)c(Cl)c1 100324258 PQHOBVJPBBFCER-ONEGZZNKSA-N 367.585 6.143 0 40 FKAB O=C(NCCSC1CCCCC1)c1cccc(OCc2ccccc2)c1 218976481 SICLOZFBNZLJMO-UHFFFAOYSA-N 369.530 5.061 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCS[C@@H](c2ccccc2F)CC1 219126744 VTXAFNLCENQKPQ-GOSISDBHSA-N 371.502 5.361 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc2ccccc12 223006742 IJYZMKIOYGPQJV-FQEVSTJZSA-N 353.849 5.598 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1C(C)C 223341812 NTDNBMBQROPZLO-ZWKOTPCHSA-N 369.505 5.080 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224468517 CTTUHHQCCZEYRM-JOCHJYFZSA-N 374.484 5.085 0 40 FKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc2c(c1)oc1ccccc12 225148745 KVQZMFYFVCDMRI-UHFFFAOYSA-N 353.780 5.560 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1 225512090 GFCREBVCOJQYOA-UHFFFAOYSA-N 363.501 5.767 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC(C)C 225527060 AGRJAPFPNVAJJA-UHFFFAOYSA-N 371.908 5.886 0 40 FKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 409118237 PIBGLFLCUVSWMX-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB CC(C)c1nc(Cc2ccccc2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265083 FWUOAUILPBNAEC-UHFFFAOYSA-N 365.860 5.814 0 40 FKAB CCCn1c2ccccc2c2nnc(SCc3cccc(Cl)c3)nc21 1505840531 LTUOZYYDFDSJDT-UHFFFAOYSA-N 368.893 5.335 0 40 FKAB Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)c/c(=N\N)oc12 1615679347 WEGCIUCEQJQMPN-XTCLZLMSSA-N 366.420 5.596 0 40 FKAB Cc1ccccc1C[C@H](Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 824051 DYHISQYSEXDNMC-GOSISDBHSA-N 366.468 5.317 0 40 FKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 851712 CMAUQFYTWUXRSH-HXUWFJFHSA-N 364.832 5.120 0 40 FKAB Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 1034579 KGRZXKVVBCVGDE-UHFFFAOYSA-N 361.232 5.132 0 40 FKAB Brc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1 1644105 HSSYWJUCOZASCQ-UHFFFAOYSA-N 358.323 5.784 0 40 FKAB CC(C)Oc1ccc([C@@H](CCN[C@@H](C)c2ccccc2)c2ccccc2)cc1 1831451 MQORINLVPMKXGS-LVXARBLLSA-N 373.540 6.347 0 40 FKAB biogenic CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@@H]5[C@@H](CC[C@]4(C)[C@H]3CC[C@@]21C)C5(F)F 2043914 JTSBNWGLFUOUIT-WEUBXBPDSA-N 364.476 5.372 0 40 FKAB CC(C)CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 2368805 HDWHUYARJDRUTL-UHFFFAOYSA-N 360.479 5.436 0 40 FKAB O=C(OCc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc21 3282871 WUULEFLZFJRYGL-UHFFFAOYSA-N 373.433 5.277 0 40 FKAB CCN(CC)C(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1F 3421687 SELTUYVYFLJWLG-UHFFFAOYSA-N 370.855 5.485 0 40 FKAB COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 3850047 XZYHUDBBIOJHPZ-LWYMFVSZSA-N 374.565 5.126 0 40 FKAB biogenic CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 4290491 UAOLDMOQMUEJFT-UHFFFAOYSA-N 359.640 5.242 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)cc1 4735120 COZSUVVFGHIBRV-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB Cc1cc(C)cc(Nc2c(-c3c[nH]c4ccccc34)nc3cccc(C)n23)c1 5249080 JBHOAHDKUSURGS-UHFFFAOYSA-N 366.468 6.151 0 40 FKAB O=C(c1ccccc1)[C@@H](Sc1ncnc2sccc12)c1ccccc1 6115298 GHIWKNXLJNQKIK-SFHVURJKSA-N 362.479 5.408 0 40 FKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC 6844728 YASGPHWXWYIRDR-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1c(F)cccc1F 7094385 LRKUCWDFGAFLST-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB Cc1ccc(Cl)cc1-n1ncc2c(NCCC3=CCCCC3)ncnc21 8582997 HGFBHXJKTYLXKM-UHFFFAOYSA-N 367.884 5.080 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 13709517 PAHOYBWSARTXGM-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB C[C@H](NC(=O)c1cc(Cl)nc2ccccc12)c1cc2ccccc2o1 14701497 DITUDNAMPNGMHU-LBPRGKRZSA-N 350.805 5.125 0 40 FKAB CCOc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19324034 QZXWLNHAZSTQPG-UHFFFAOYSA-N 372.512 5.102 0 40 FKAB Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2Cl)o1 20759799 WFQKWDIMBXWTJW-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB O=C(Nc1ccc2nc(S)sc2c1)c1ccc(Cl)cc1Cl 30836198 PJOPWGSJQUJHFI-UHFFFAOYSA-N 355.271 5.144 0 40 FKAB c1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 36624787 VKOWNSAQOQYERQ-NHCUHLMSSA-N 374.534 5.892 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1 45373774 BPUWQRCMZAGKIU-UHFFFAOYSA-N 358.850 5.143 0 40 FKAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(C)c(Cl)c2)c1 71761792 NSAHIKZEHXWEPP-UHFFFAOYSA-N 364.898 5.255 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCO)CCCCC1 75108956 YKTSMBMTWICGPF-UHFFFAOYSA-N 360.542 5.388 0 40 FKAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)Nc1cccs1 90607087 NLDRIMBCBOVOTE-UHFFFAOYSA-N 372.519 5.110 0 40 FKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3c2C1 95947818 AYTWWQPDNQHUBC-NSHDSACASA-N 373.283 5.852 0 40 FKAB CC/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914817 PCFLWNUQAQQXOU-ADLXVJIVSA-N 358.566 6.297 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCSc2ccccc2)cc1C(C)C 223269509 WFAUWMFKRIWZFR-QGZVFWFLSA-N 371.546 5.487 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225697660 GOXSZONODZYJAW-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)cc2)cc1 408572370 GNMQUXZVMUGKEN-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB COc1ccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)nc2c1 408713146 LVFIPTVARGPHBU-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC 409112416 GDPAQDOHHHPZEH-UHFFFAOYSA-N 354.277 5.711 0 40 FKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)c1 409115899 LNYOWAIPQGYPGJ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc21 647305 RGYIOQIDQUYSHL-UHFFFAOYSA-N 362.256 5.820 0 40 FKAB C/C=C1/S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 973375 SJXHLYBHLLBQFR-HUIBDKPISA-N 364.392 5.226 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccccc1CC 1772961 OMDAMRRODPCECB-UHFFFAOYSA-N 368.864 5.679 0 40 FKAB O=C(Nc1ccc(SC(F)F)cc1)C1(c2ccccc2F)CCCC1 2641947 LZIJQUJTLFLUAS-UHFFFAOYSA-N 365.420 5.591 0 40 FKAB O=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 2789010 MQJTWALEEBFXCN-UHFFFAOYSA-N 360.034 5.147 0 40 FKAB Cc1ccc(C2=N/C(=C/c3ccc4oc5ccccc5c4c3)C(=O)O2)cc1 3624493 WNQNZGHMIKLAID-CPNJWEJPSA-N 353.377 5.239 0 40 FKAB Cc1cc2cc(CNC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1C 4061536 MINUAXKEPOJSIW-UHFFFAOYSA-N 354.453 5.084 0 40 FKAB Cc1ccc(Cl)c2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 4331418 CYUXGLCHXCKKTE-UHFFFAOYSA-N 360.866 5.298 0 40 FKAB Fc1cccc(-c2cc(-c3ccc(F)c(F)c3)nc(-c3ccncc3)n2)c1 4726103 BGFBUNMETAVWGU-UHFFFAOYSA-N 363.342 5.290 0 40 FKAB CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@H]2c3ccc(OC)cc3CC[C@@H]21 4825758 WVDKBHOKKLQPOC-NDBXHCKUSA-N 362.513 5.880 0 40 FKAB C[C@@H](c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1 4869235 IDDKKPCMEWUYBH-LBPRGKRZSA-N 361.228 5.389 0 40 FKAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 4910235 WIVNHSFEBUQTIA-AWEZNQCLSA-N 359.491 5.034 0 40 FKAB C[C@@H]1CC(C)(C)C[C@@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)O)C1 5662467 XROBQVICXLWESG-ADLMAVQZSA-N 372.292 5.239 0 40 FKAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1Br 6188965 GWPGEGAYAYPYBT-KPKJPENVSA-N 372.306 5.707 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccc(Cl)cc1 8040240 FWTLOGNUGSJFOA-UHFFFAOYSA-N 363.910 5.377 0 40 FKAB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1 8134535 KGOSUVKVDUCKIM-UHFFFAOYSA-N 363.417 5.106 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc2c(Cl)cccc12 9141645 WGDYXFFLLVJXSU-UHFFFAOYSA-N 350.632 6.052 0 40 FKAB CC(C)c1ccccc1NC(=S)Nc1cccc(/C=C/c2ccccn2)c1 9587586 KJIBZWXKIDVMMU-BUHFOSPRSA-N 373.525 6.184 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 10001572 XDSGLZIPIPWPMR-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccccc1)[C@@H]2O 10272328 ZPIDDLUDNFHGDG-TYRDXMDDSA-N 360.497 5.303 0 40 FKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1 10542345 PLLWQJJDTZAHPD-UHFFFAOYSA-N 366.288 5.143 0 40 FKAB CCc1ccc([C@@H](N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)C(C)C)cc1 11049730 ZXBXZGABBYYPMV-UWJYYQICSA-N 363.505 5.655 0 40 FKAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc(C)c4)ccc3C(=O)O2)cc1 12274532 UGYUGQRSTZDQNX-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12401419 ITQKWKIZDKUEKE-UHFFFAOYSA-N 350.506 5.959 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2F)cc1Cl 13788498 INXHVCWZDXSHFI-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 20039453 OUIRXSBMPFXTKA-INIZCTEOSA-N 352.261 5.406 0 40 FKAB c1ccc(CN2CCc3nc4ccccc4c(-c4ccccc4)c3C2)cc1 22460367 CQCUPGREFRRZPA-UHFFFAOYSA-N 350.465 5.460 0 40 FKAB CC(C)c1ccc(-c2nc(CSCC(=O)NC3CCCC3)cs2)cc1 31414304 ZWKVFTAYAYNVBR-UHFFFAOYSA-N 374.575 5.226 0 40 FKAB Cc1c(C(=O)N(Cc2ccco2)Cc2cccs2)oc2ccccc12 32667749 AFHGIOKFCMTWLV-UHFFFAOYSA-N 351.427 5.238 0 40 FKAB O=C(Nc1cccc2cccnc12)c1csc(-c2cc3ccccc3[nH]2)n1 38909920 PIELNARTVYMARY-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2cccc(Cl)c2)cc1 44087296 AXYZDCJKOMTMBU-UHFFFAOYSA-N 368.933 6.536 0 40 FKAB CC(C)c1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44837935 HNOAUMVXULAMPP-UHFFFAOYSA-N 355.441 5.606 0 40 FKAB CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215507 UQWHCCRHGDIBTJ-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CC1=Nc2c(cnn2-c2ccccc2Cl)[C@@H](c2cccc(O)c2)S1 95478216 OCWFGPIFMQOAFI-QGZVFWFLSA-N 355.850 5.117 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc2c(c1)CCCC2 223097251 ZTERZWLWDRZTKE-FCHUYYIVSA-N 365.517 5.299 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1C(C)C 223319173 NTOICUMCTIZWHK-ZWKOTPCHSA-N 369.505 5.080 0 40 FKAB COc1ccc(C(=O)NC2CCCCC2)cc1CSc1ccccc1 224321529 ZEEFLWMZKCDEJC-UHFFFAOYSA-N 355.503 5.050 0 40 FKAB CCCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784497 VMZPOJPCKXJCBD-UHFFFAOYSA-N 360.668 5.327 0 40 FKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCCC1 225851083 ZHOBFRDKINRMCH-KRWDZBQOSA-N 369.505 5.695 0 40 FKAB O=C(Nc1ccccc1N1CCCCC1)c1cccc2c(Cl)cccc12 408622634 PWHGLDZYWZBRTL-UHFFFAOYSA-N 364.876 5.736 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 409118072 MXQAAPHRRQVYTD-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)c1 409336943 RGARWTGHLDMRCB-NHTMILBNSA-N 369.464 5.473 0 40 FKAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cnccc1Oc1ccccc1 667691386 ZMJCBKSZQYCWNE-HKUYNNGSSA-N 358.388 5.028 0 40 FKAB Cc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C)cc2c1 915600 ZJOJIBNBRSRQQV-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB Cc1ccccc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 1392133 TZMFMQQMJBYUEB-UHFFFAOYSA-N 374.918 5.503 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1Br 2135308 HSCPOARAHJFGHF-UHFFFAOYSA-N 366.686 5.652 0 40 FKAB NC(=O)CCCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2187417 QNDZTDQVMBIRHK-QGZVFWFLSA-N 363.935 5.087 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 2314519 MCBJBEMVFAAFFI-UHFFFAOYSA-N 357.413 5.266 0 40 FKAB CC(C)c1nc2sc3c(N4CCCC[C@@H]4C)ncnc3c2c2c1CCC2 2409686 BVQLTGLKVNKOKV-ZDUSSCGKSA-N 366.534 5.230 0 40 FKAB CCc1c(C)sc2ncn3nc([C@H]4C[C@H]4c4ccc(Cl)cc4)nc3c12 2808945 WBCZDSQWXDWWLV-GJZGRUSLSA-N 368.893 5.134 0 40 FKAB CSc1ccc(Cl)c(C(=O)Oc2ccccc2Cc2ccccc2)c1 3282683 ALNXALNMQZTEMI-UHFFFAOYSA-N 368.885 5.872 0 40 FKAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2 3315040 SRPKOUDQSSJALF-IBGZPJMESA-N 369.508 5.575 0 40 FKAB COc1ccc(-c2csc3ncnc(Oc4cc(C)ccc4C)c23)cc1 3337708 PWGSXGOTHRMTSC-UHFFFAOYSA-N 362.454 5.776 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ccc(C)cn23)cc1 3911602 SXCOCOPEXFRSLF-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB CCOc1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 4173436 VVFFOZSVMKZNTM-UHFFFAOYSA-N 373.286 5.316 0 40 FKAB CCCCOc1ccc([C@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 4348628 BTBXXZMSOPRQCC-ZEQRLZLVSA-N 367.533 5.169 0 40 FKAB Cc1cccc2c1NC(C)(C)c1sn(-c3cccc(Cl)c3)c(=S)c1-2 4713502 KHZAJGKYFMSELW-UHFFFAOYSA-N 372.946 6.558 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)/C(=C/c1ccccc1)c1ccccc1 5869964 ZFDBXKQHBZOKDP-RGVLZGJSSA-N 368.263 6.173 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cc(C)ccc2C)cc1 5937901 JALNNVAHEPCIDH-UHFFFAOYSA-N 350.487 5.225 0 40 FKAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc2ccccc2c1 6317221 RGVCGWXNTDLQKI-UHFFFAOYSA-N 373.477 5.231 0 40 FKAB CC(C)Oc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 6364778 LSRSSIKCHZUOMK-UHFFFAOYSA-N 359.469 5.316 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1F 7351400 OLTRHCUCQDJGSO-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)s1 8134641 AIKKIWIYVIICJP-UHFFFAOYSA-N 359.863 5.030 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)C1CCCCC1 9660014 BGOVBGUMJSGECV-UHFFFAOYSA-N 365.404 5.118 0 40 FKAB biogenic Clc1ccc2c(N(Cc3ccco3)Cc3cccs3)ncnc2c1 12915890 UUXLMBOBVREKKO-UHFFFAOYSA-N 355.850 5.145 0 40 FKAB Clc1ccccc1OCCN1CCC(c2nc3ccccc3s2)CC1 13687148 UJHHCARHXZCMEW-UHFFFAOYSA-N 372.921 5.208 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(Cl)cccc1Cl 14396433 BWCCTOKERDFRRR-GFCCVEGCSA-N 366.288 5.697 0 40 FKAB Cc1oc2ccccc2c1CN[C@@H](Cc1ccsc1)c1nccs1 19581955 ZCYNKJRDDNFTLA-KRWDZBQOSA-N 354.500 5.333 0 40 FKAB CC(C)(C)c1ccccc1OCCNc1cccc(OC[C@@H]2CCCO2)c1 19738607 CIMRMUMNSIUBPM-FQEVSTJZSA-N 369.505 5.033 0 40 FKAB Cc1nc(Nc2nc3c(c(-c4ccccc4)n2)CCCC3)nc2ccccc12 20798110 XLGISVDNDXGBLV-UHFFFAOYSA-N 367.456 5.018 0 40 FKAB CCCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1 22254949 ZEYKCBUHRGCJEV-UHFFFAOYSA-N 364.392 5.520 0 40 FKAB O=C(Nc1cccc(F)c1)c1cccc(OCc2ccccc2Cl)c1 22258080 SKOMCMVZBJISOK-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB CC(C)(C(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccccc1 25463320 DABDRSAFZNGOTF-UHFFFAOYSA-N 362.498 5.290 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC(C)C)cn1 72214682 DULBAIIRTIPUFQ-GOSISDBHSA-N 361.530 5.026 0 40 FKAB CCN(C(=O)Nc1ccc(F)cc1F)[C@H](Cc1ccc(C)cc1)C1CC1 72303891 BZRSGDHWHRDOJQ-HXUWFJFHSA-N 358.432 5.148 0 40 FKAB Cc1csc(N(C(=O)[C@@H](C)OC2CCCCCC2)c2ccccc2)n1 95965955 IPDOFIVMFFOYMJ-MRXNPFEDSA-N 358.507 5.244 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@@]21C)C5(F)F 118936485 BRZLCOPFROJRBE-SDBQQCLYSA-N 366.492 5.452 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 219608617 PIMLQKFHPRYEIH-PMACEKPBSA-N 359.897 5.401 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(C)c1 222931068 ASUGJEMYDWGXJO-JOCHJYFZSA-N 367.533 5.199 0 40 FKAB C[C@@H](NC(=S)Nc1ccc(Sc2ccccc2)nc1)c1ccccc1 223958725 HIWGKNGHXDPIJW-OAHLLOKOSA-N 365.527 5.280 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCC 224725384 SINRSUOSFMIWQW-UHFFFAOYSA-N 355.478 5.271 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCC1 225655700 JTOUPFANDMCZAA-UHFFFAOYSA-N 367.489 5.252 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(N2CCCC2)cc1 408677791 UWJADSCDMWQJKN-UHFFFAOYSA-N 357.457 5.283 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2-c2ccccc2C)cc1 408724466 KWGGSOKYQONDBS-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1F 826361 KVEYCPZWHQMLKU-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB aggregator Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)c3ccccc3n2)cc1 859815 BKFOEHIFLSJZDQ-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB Cc1nc(Oc2cccc3c2OC(C)(C)C3)c2c3c(sc2n1)CCCC3 3381459 HEMQIUIPMLXXEP-UHFFFAOYSA-N 366.486 5.384 0 40 FKAB Cc1cccc(C)c1NC(=O)CCCCCCCCCC[C@@H]1CCCO1 4610715 NEDKFISIPYJYHS-OAQYLSRUSA-N 359.554 6.322 0 40 FKAB Cc1cc(C)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3Cl)c2n1 4776765 XRKGDIYTEYHPQH-UHFFFAOYSA-N 368.267 6.011 0 40 FKAB Cc1ccc(C(=O)c2c(NC(=O)c3cccs3)sc(C)c2C)cc1 4953236 OFKYXMCNTVDZSS-UHFFFAOYSA-N 355.484 5.218 0 40 FKAB CCc1cccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970981 ISMBLGRIOHSESB-UHFFFAOYSA-N 360.482 5.566 0 40 FKAB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3N(C)c3ccccc32)c1C 5337819 YBODKJQYJZOYGW-FQEVSTJZSA-N 356.469 5.350 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1NC(=O)[C@H](CC)CCCC 6043050 QAMZKPKUBRNWOQ-RBUKOAKNSA-N 374.569 6.305 0 40 FKAB CCCCCc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O 11691912 RYTUYMBBROGJCT-UHFFFAOYSA-N 360.453 6.556 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1Cl 12775820 ZGICZEFLIKSAJW-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB CC[C@@H](c1ccc(OC)cc1)N(C)CN(C)[C@H](CC)c1ccc(OC)cc1 19323870 YXAIRMNQLUEZSJ-ZRZAMGCNSA-N 370.537 5.127 0 40 FKAB CCOc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 20112033 IGNRDWHPRFSLBF-UHFFFAOYSA-N 370.301 5.264 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(F)(F)F 20482629 GHVSHNURGTWFCU-KRWDZBQOSA-N 351.368 5.118 0 40 FKAB Clc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 22076546 NZVSMAXZTFPEJS-UHFFFAOYSA-N 350.849 5.414 0 40 FKAB Cc1noc(C)c1COc1ccc(CN[C@@H](C)c2ccccc2Cl)cc1 25359277 KEAXUAVAXGDQKG-AWEZNQCLSA-N 370.880 5.375 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1c(Cl)cccc1Cl 44781887 FIUYTISHWZHCLB-UHFFFAOYSA-N 355.224 5.880 0 40 FKAB CC(C)c1ccc(CNc2cccc(-c3nc4ccccc4s3)c2)cc1 45954103 FZPNQJXBJGCPTG-UHFFFAOYSA-N 358.510 6.699 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc(N)cc2s1 59417578 CAAMRLPWLGELSJ-UHFFFAOYSA-N 356.560 6.085 0 40 FKAB CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214877 IASFAFJUOKIVNC-SFHVURJKSA-N 361.530 5.169 0 40 FKAB Clc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1 72357686 ACMJURPOIXCDRI-JOCHJYFZSA-N 363.892 5.058 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 102277296 ORBXWZRYNQSBIZ-SLFFLAALSA-N 362.517 5.998 0 40 FKAB O=C(CCc1cccc2ccccc12)NCCCc1ccc(Cl)cc1 222671851 GCHKIHGREWEILO-UHFFFAOYSA-N 351.877 5.175 0 40 FKAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)Sc1ccccc1 225139899 HBMFFKZPVRGFFX-FQEVSTJZSA-N 350.439 5.267 0 40 FKAB Cc1cc(-c2nc3cc(-n4cccc4)ccc3o2)ccc1Br 226248117 PHKZQXBPQYVQRT-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB Cc1cc(C)cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408621703 NHXUAWOMJXYYON-UHFFFAOYSA-N 368.889 5.237 0 40 FKAB CCCCCCOc1ccccc1/C=C1\N=C(c2cccc(C)c2)OC1=O 408974769 DSWSFJSOWGZDFX-SILNSSARSA-N 363.457 5.299 0 40 FKAB CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 683203 CHQKCYHONKUDIX-UHFFFAOYSA-N 359.853 5.067 0 40 FKAB Cc1ccc2nc(-c3ccc(-c4ccc(C(C)C)cc4)o3)cc(C(=O)O)c2c1 934722 OFDWTMQVMVYDSA-UHFFFAOYSA-N 371.436 6.292 0 40 FKAB Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1 943682 FSZZDUXMQRMZAC-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(C)c(Cl)c1 1911105 KSTPKTYZJPPQBR-UHFFFAOYSA-N 368.864 5.679 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1 2079543 BERBDHSTKVRHRI-UHFFFAOYSA-N 353.874 6.052 0 40 FKAB Cc1cccc(C(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 2192564 ZPZIJTJNFYTCKI-UHFFFAOYSA-N 374.223 5.708 0 40 FKAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccnc2)c(C)c1 2655756 KGCPIVXEGHILKH-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Cc1noc(C)c1COC(=O)c1sc2cc(Cl)ccc2c1Cl 2662124 IYQQMOVMBQTGAX-UHFFFAOYSA-N 356.230 5.170 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cccc(F)c3)n2)cc1 2733279 DTUCNXDTJFNKHB-UHFFFAOYSA-N 356.444 6.021 0 40 FKAB Fc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 3328784 RRQHPFBCSBHMJS-UHFFFAOYSA-N 365.433 5.018 0 40 FKAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccc(F)cc1 4848485 UQLYVLMUXNXTTO-UHFFFAOYSA-N 367.811 5.112 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C)sc1C 5357064 UFHLTEOLEAEPDJ-GXTWGEPZSA-N 359.491 5.062 0 40 FKAB CCCCCCS[C@@H](CCCCCC)C(=O)c1cc(C)ccc1O 5418334 GEMVXFJPLXGTNK-FQEVSTJZSA-N 350.568 6.536 0 40 FKAB Cc1nc(Oc2cccc(Br)c2)c2c3c(sc2n1)CCC3 5517500 QSDXRPNZLWQACF-UHFFFAOYSA-N 361.264 5.043 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1 5769803 JCZVFWQEWQGWDH-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB CCCn1ccnc1Sc1ncnc2scc(-c3ccc(C)cc3)c12 5902346 QDAOSGIRQIPZLG-UHFFFAOYSA-N 366.515 5.424 0 40 FKAB O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5936941 IZEXPWQLSYLJAD-UHFFFAOYSA-N 365.845 5.264 0 40 FKAB CCCCNc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@H]21 6309782 QTDBDFJHXDVZBM-UZLBHIALSA-N 356.539 5.329 0 40 FKAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cccc4c32)cc1 8024065 BNBBLBVYXLVHNR-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB Cc1c(Cl)c(CSc2nncn2-c2ccccc2)nc2ccccc12 8457562 LFTMFZWJKDMLOD-UHFFFAOYSA-N 366.877 5.070 0 40 FKAB Cc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1 17161811 UXDTXEPREVLYIY-UHFFFAOYSA-N 365.440 5.329 0 40 FKAB CC(C)Oc1cccc(NCc2ccc(OCCc3ccccc3)cc2)c1 19737509 HZXMMOXMYQTOEK-UHFFFAOYSA-N 361.485 5.707 0 40 FKAB COc1cc2c(cc1OC)[C@@H]([C@@H](c1ccccc1)c1ccc(C)cc1)NCC2 19853633 DDGCLVTZEWOIMF-DQEYMECFSA-N 373.496 5.031 0 40 FKAB CCOC(=O)c1sc2nc(-c3ccc(-c4ccccc4)cc3)cn2c1C 26441977 VXQZHXYXFPDJMH-UHFFFAOYSA-N 362.454 5.215 0 40 FKAB CCC(CC)C(=O)Nc1nc(-c2ccc(-c3ccc(C)cc3)s2)cs1 27913654 MKWHOBCKRMUKHK-UHFFFAOYSA-N 370.543 6.222 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(COc2cccc3ccccc23)o1 28223693 PXUCZQOWJBKTRK-UHFFFAOYSA-N 361.372 5.403 0 40 FKAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C 30860325 IPIZVRCZYLMVLX-LLVKDONJSA-N 372.679 5.670 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 33633927 DCQKNGRKPCUXTE-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1C 44086893 QJJHAILBQDMGHG-UHFFFAOYSA-N 373.319 5.722 0 40 FKAB CC1=C(C)[C@H](NC2CCCCCCCCCCC2)N(CCC(C)C)C1=O 57284639 HEFFFXUAQCILGO-JOCHJYFZSA-N 362.602 5.800 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 60579928 WYCUETQPOMXKMM-MRXNPFEDSA-N 356.878 5.204 0 40 FKAB Cc1ccnc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1 67322079 RMMSMYYHZLODMD-UHFFFAOYSA-N 360.280 5.328 0 40 FKAB CCSc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72217212 YMHSHJLDRQWZFR-GOSISDBHSA-N 356.491 5.057 0 40 FKAB Clc1cc(Cl)c2oc(Cc3ccc(Br)cc3)nc2c1 73638697 HIKDEHJFESVGRM-UHFFFAOYSA-N 357.034 5.488 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 78458288 ZTGBFLNPVLITNI-JKSUJKDBSA-N 359.897 5.164 0 40 FKAB CCOc1ccccc1C(=O)N(CC)CC12CC3C[C@H](CC[C@@H](C3)C1)C2 101024358 FFMGTJAVZVQBMO-MDECGGOYSA-N 355.522 5.154 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 102580412 KPNUCXSOWCPAPZ-QFIPXVFZSA-N 355.441 5.530 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915044 CLPGKLFDFQUHLE-AYNVCCPXSA-N 360.538 5.166 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)CCCSc1ccc(Cl)cc1 222688769 ONMWWQNNVCVIEA-INIZCTEOSA-N 361.938 5.350 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1OC 223010849 KZNMUTLDQNYGKQ-MRXNPFEDSA-N 368.260 5.107 0 40 FKAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCCC2 223113033 IMNGRERZQFYOLI-NRFANRHFSA-N 355.909 5.419 0 40 FKAB CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCCC2 223136413 FIBRAMYHPQAHOR-QHCPKHFHSA-N 361.529 5.645 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225432931 ISLBCGCXXMPEOL-HNNXBMFYSA-N 355.503 5.083 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 225505598 HGYWFHCYNWBLOF-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225510667 VKBVSABTEFBZGA-UHFFFAOYSA-N 351.490 5.543 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(OC(C)C)c2)C(C)C)c(C)c1 225765933 VLACCFMAWYXWLM-NRFANRHFSA-N 370.562 5.774 0 40 FKAB CCOc1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225808995 ABACMEJSBIOGHN-UHFFFAOYSA-N 364.514 5.158 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 225855002 CQAAYWPXLLFBMF-GCJKJVERSA-N 365.517 5.236 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(-c4nc5cc(C)cc(C)c5o4)c3)nc2c1 226237361 KQRDQZFFWFBVHS-UHFFFAOYSA-N 368.436 6.537 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccc(Cl)cc2)o1 409200450 LMCVSWBOGCYGRV-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB C[C@H](NC(=O)c1cccc(C(=O)[C@H](C)c2ccccc2)c1)c1ccccc1 1057627 PWOQWDIELJQRNZ-MSOLQXFVSA-N 357.453 5.164 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc2sc3ccccc3c2s1 1412564 BLWHLZBOIJAPCZ-UHFFFAOYSA-N 351.496 6.239 0 40 FKAB Brc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 2236576 PWBSKJGGBBZHMK-UHFFFAOYSA-N 371.282 5.176 0 40 FKAB Cc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(C)ccc32)c1 2691355 BKFFBTOCMIQPSZ-UHFFFAOYSA-N 363.464 5.868 0 40 FKAB Cc1ccc(Nc2nc(-c3ccccc3)[n+](C=C(Cl)Cl)s2)cc1 3176734 MMJFOYDGDNERPZ-UHFFFAOYSA-O 363.293 5.383 0 40 FKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccccc1C(F)(F)F 3298805 UYOOMQKAQQMEKJ-UHFFFAOYSA-N 356.299 5.824 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NCC[C@]4(C)[C@@H]3CC[C@]12C 4023257 SAWPPQLIWVGNDH-MCRWJAOQSA-N 359.642 6.670 0 40 FKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1 4309647 YXKDJWQNNHHRJR-PXNSSMCTSA-N 366.873 5.644 0 40 FKAB Cc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1 5053919 ZVQPYWHDWRCFRN-GOSISDBHSA-N 365.483 5.044 0 40 FKAB CCCCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(CC)ccc3o2)c1 5645615 JNRLKNJTAYQVKD-UHFFFAOYSA-N 370.880 6.229 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2oc3ccccc3c2c1 5948911 CNBFFZKPNIMLID-UHFFFAOYSA-N 371.223 6.537 0 40 FKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 7987575 IYFJSEBFOVBBRR-MBSDFSHPSA-N 371.484 5.092 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 8041463 ZVCBNMYFWRVOOB-GOSISDBHSA-N 361.441 5.502 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1C 9167192 OJANVDBMMBPNPN-UHFFFAOYSA-N 358.854 5.119 0 40 FKAB O=C(CCc1ccccc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 9513820 YUTXKPOYEGDRKB-DEOSSOPVSA-N 355.437 5.271 0 40 FKAB CC(C)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 10213573 ZBCCYCKCSVGSCV-UHFFFAOYSA-N 374.492 5.082 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)cc1 10215072 OEEUMMUJRBYRAO-GHTZIAJQSA-N 364.832 5.484 0 40 FKAB Oc1ccc(-c2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)cc1 12547072 QXACUFBJERKYMM-UHFFFAOYSA-N 366.247 6.581 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2c(C)cccc2C)s1 19819581 JIQRVPBJJWNDTO-UHFFFAOYSA-N 356.516 5.368 0 40 FKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1 20490561 GIEPDQVFHHFDIS-MHIQDMOBSA-N 355.481 5.721 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c(F)c1 21577905 XWTVIPLHCDCGJR-IZZDOVSWSA-N 358.844 5.121 0 40 FKAB Cc1ccc(C)c(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22245752 YBHJAHFDAXHJLE-UHFFFAOYSA-N 355.438 5.203 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccccc2Cl)cc1 30858817 MCDXZEWAOQUWCE-XEDBTPMOSA-N 357.881 5.265 0 40 FKAB Clc1ccc2c(c1)[C@H](N1CCOCC1)c1cc(Cl)cc(Cl)c1-2 31716946 ZSAJFHMQCNMWHR-KRWDZBQOSA-N 354.664 5.049 0 40 FKAB CCCCOc1ccc(NC(=O)c2oc3ccccc3c2C)c2cccnc12 32623694 PJLWEDFBSXQNRW-UHFFFAOYSA-N 374.440 5.721 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351676 JYCHOMQKRFBVJI-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 61997141 QCOUMLGDGPVJKB-UHFFFAOYSA-N 356.809 5.035 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 62715778 VRBCCQVZOAUDSQ-GXDHUFHOSA-N 368.473 5.148 0 40 FKAB Cc1ccc(S[C@H]2CCC(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 65090580 MNUVCKIYHWDZHX-LADGPHEKSA-N 373.521 6.024 0 40 FKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCCC)cc1 67259000 VQUMZHBOXKNZCG-UHFFFAOYSA-N 364.514 5.522 0 40 FKAB Cc1cccc(OCCCC(=O)Nc2cc(-c3nc(C)co3)ccc2C)c1 84211211 MLIWKPCDCZWYTA-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB CC1(C)CC(O)=C[C@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 102628327 MDYMAZDVTJBOGX-NZQKXSOJSA-N 360.457 5.188 0 40 FKAB COc1ccc(C(OC[C@H]2C[C@@H]3C=C[C@H]2C3)OC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 104189091 IETYYIJLWUYSNN-SGWAUZGLSA-N 366.501 5.151 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)NC(c1ccccc1)c1ccccc1 216482474 QGEYIUGMMQYWNS-OAQYLSRUSA-N 359.469 5.058 0 40 FKAB CCC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 222628996 LQOJJEBYNLZKCR-AWEZNQCLSA-N 352.865 5.474 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220369 SVIBIPTYWDDLKW-SBUREZEXSA-N 373.496 5.363 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964474 YRTCTHLACSWYQT-CQSZACIVSA-N 368.864 5.580 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@@H](C)C1 225667459 DNPUBHADKCNNSB-KUHUBIRLSA-N 353.890 5.053 0 40 FKAB CCO[C@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225718486 OHDHMAZCQDHTLF-OPAMFIHVSA-N 361.526 5.262 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@@H](C)C1 225853109 ZVLVVNWRQCJYFI-ACJLOTCBSA-N 373.415 5.028 0 40 FKAB C[C@H]1CCC[C@H](OC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 226357853 CICGXGGFHBMCLY-KXBFYZLASA-N 362.425 5.196 0 40 FKAB Cc1ccccc1Cc1ccc([C@@H]2CCCCN2Cc2ccccn2)cn1 257235219 GWYBNKVLGHTKGR-DEOSSOPVSA-N 357.501 5.103 0 40 FKAB Cc1cccc(Oc2ccc(C(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 408604571 VKGUJGDRZGWQBM-UHFFFAOYSA-N 357.236 6.325 0 40 FKAB Cc1ccc(C)c(-c2[nH]c(=Nc3cccc(C(F)(F)F)c3)sc2C)c1 409046669 LCLBQOGTQMTKMC-UHFFFAOYSA-N 362.420 5.920 0 40 FKAB COc1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 409383947 QUZLBYNYBZIYFR-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB C[C@@]1(C(=O)Nc2cccc(Cl)c2)CC2c3ccccc3C1c1ccccc12 825297 XCDBQXXGCSUWRQ-UBVWURDFSA-N 373.883 5.966 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1 840604 JQHAHDXKCUBZBX-UHFFFAOYSA-N 356.450 5.729 0 40 FKAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc2ccccc2c1 1443908 XBULDFMNYIPIPW-UHFFFAOYSA-N 362.432 5.265 0 40 FKAB CCN(CC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 1447528 JXJPPZYFBULULT-UHFFFAOYSA-N 360.436 5.073 0 40 FKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NC1CCCCC1 1768069 VPUXRPZJOUUCMO-UHFFFAOYSA-N 367.276 5.463 0 40 FKAB CC(C)CCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2208838 NSSXAEDJHPQIKG-UHFFFAOYSA-N 373.547 5.229 0 40 FKAB COc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 2626244 VPIFFPFNUJPSOI-UHFFFAOYSA-N 366.467 5.286 0 40 FKAB CCOc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 3185518 HCPGVGCVORYALN-UHFFFAOYSA-N 369.357 5.763 0 40 FKAB Cc1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C 4179647 KKOZNAFEMPKTAG-UHFFFAOYSA-N 363.504 6.707 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 4278864 BXMFWAYDSHDUGX-JLHYYAGUSA-N 360.482 5.341 0 40 FKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 4995123 WYVDPCNXHHQMFR-NRFANRHFSA-N 360.844 5.332 0 40 FKAB CSc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8169568 WOUDWAPPQVGEKN-OQLLNIDSSA-N 361.875 5.303 0 40 FKAB COc1cccc(-c2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)c1 8209631 HKEBBGHBCQEJFO-UHFFFAOYSA-N 352.459 5.080 0 40 FKAB Cc1ccc(CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 8317352 XFXGBHVHGUDENU-UHFFFAOYSA-N 369.877 5.482 0 40 FKAB COc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@@H](C)C3)cc1 12610216 RMIWALLBUOEJHU-CQSZACIVSA-N 363.526 5.976 0 40 FKAB O=C(Nc1cc(F)ccc1F)N1c2ccccc2Sc2ccccc21 19075196 YNTGVDQQMAKFPX-UHFFFAOYSA-N 354.381 5.800 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)O)s2)cc1 19894573 AADHKUNCYMZCAE-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB FC(F)(F)c1cnc(NCc2coc(-c3cccs3)n2)c(Cl)c1 22089569 VLDVGKHLRGZCKH-UHFFFAOYSA-N 359.760 5.082 0 40 FKAB CCCC[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 29037379 CTHUKURTASAUTM-NRFANRHFSA-N 365.473 5.183 0 40 FKAB in-vitro Clc1ccc(Cl)c(NCc2ccc(-c3ccccc3Cl)o2)c1 57291995 MRPZLIHKPFYCEU-UHFFFAOYSA-N 352.648 6.519 0 40 FKAB Cc1oc2ccc(OCc3c(Cl)cccc3Cl)cc2c1[C@@H](C)NO 72434044 QHXFTASKJJVXOW-SNVBAGLBSA-N 366.244 5.667 0 40 FKAB Cc1ccc(NC(=O)N2CCCCC[C@H]2C[C@H](O)c2cccs2)s1 79046241 JNPQMBLJHKQJOB-GJZGRUSLSA-N 364.536 5.018 0 40 FKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1csc(-c2ccco2)n1 84432924 LKFZXJZIJNYXNR-UHFFFAOYSA-N 367.474 5.036 0 40 FKAB O=C(NC1(c2ccccc2)CCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84525159 FCEAVLGWIGYPOA-IRXDYDNUSA-N 359.391 5.005 0 40 FKAB Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)c3ccn(C(C)C)n3)s2)cc1 95399618 GKSSGNGRCWWNJX-HNNXBMFYSA-N 369.490 5.122 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccccc3Cl)C2=C(O)C1 100715474 IFJOMSRREYHFGG-FQEVSTJZSA-N 352.865 6.211 0 40 FKAB CC(C)(C)c1nc2cc(NC(=O)N3CCC[C@H]3c3ccco3)ccc2o1 118033235 NJODZGRQVOGRHE-HNNXBMFYSA-N 353.422 5.087 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 222571319 PRGCZXNJCBNOTC-UHFFFAOYSA-N 367.489 5.457 0 40 FKAB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(C)c1 223356130 MBBFDTJVIKEZDM-IBGZPJMESA-N 357.519 5.062 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224961754 HLMNRRRCUWMPOZ-GOSISDBHSA-N 374.484 5.236 0 40 FKAB Cc1ccc(NC(=S)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225452701 IMDWPHSIAGMQHH-IBGZPJMESA-N 366.530 5.508 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225844257 YSAVUTSFBJSIPP-SBUREZEXSA-N 371.521 5.941 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c3ncccc23)CCCCCC1 225910363 WXIKYWQTLMHNEA-UHFFFAOYSA-N 370.493 5.092 0 40 FKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)c2ccccc21 409110703 FZQJZBGMJLTCOD-QJOMJCCJSA-N 369.464 5.563 0 40 FKAB CCN1C(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)c2ccccc21 409120002 RYADHWIUNZCNRX-QNGOZBTKSA-N 373.427 5.312 0 40 FKAB COc1ccc(Oc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 754019 DCSHNVNLXONAJR-UHFFFAOYSA-N 362.816 5.751 0 40 FKAB O=C(C1CC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 932768 WWUWLFLKVOEGIQ-UHFFFAOYSA-N 368.889 5.407 0 40 FKAB O=C(/C=C/c1ncc(C(F)(F)F)cc1Cl)Oc1ccc(Cl)cc1 1384978 ISJZTMNEIIKUDB-AATRIKPKSA-N 362.134 5.026 0 40 FKAB CC(C)(Cl)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1684808 SYDVCIYNOQRLFQ-UHFFFAOYSA-N 370.874 5.876 0 40 FKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 3120593 JFQNUYRZIYAXMM-YADHBBJMSA-N 364.828 5.242 0 40 FKAB COc1ccc(OC(=O)c2cccc(C(F)(F)F)c2)c(C(C)(C)C)c1 3330651 MRIQOVQAWDARHY-UHFFFAOYSA-N 352.352 5.231 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)o1 4174135 XZFYNLKCCMTGKD-UHFFFAOYSA-N 374.874 5.832 0 40 FKAB Clc1cc(Cl)c2c(c1)Oc1c(Cl)c(Cl)cc(Cl)c1O2 5783996 SJJWALZHAWITMS-UHFFFAOYSA-N 356.419 6.852 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1F 6218298 WFMRJOIRDXFTLS-UHFFFAOYSA-N 354.362 5.055 0 40 FKAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1Cl 6639434 VAGQHHYJRYTZRI-CYBMUJFWSA-N 360.885 5.085 0 40 FKAB COc1ccc(NCC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 6673383 MQACWAGGGYERMJ-JOCHJYFZSA-N 369.867 6.122 0 40 FKAB CCCNCc1cc(Br)ccc1OCc1ccccc1Cl 7262346 MZQQVHUVJREKLS-UHFFFAOYSA-N 368.702 5.181 0 40 FKAB Cc1nc2cc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)ccc2o1 8314293 YUZDPESLSARNEY-NRFANRHFSA-N 374.465 5.608 0 40 FKAB C[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)OCc1ccccc1 12401835 NDLMPZJAGUDTAJ-INIZCTEOSA-N 359.425 5.443 0 40 FKAB CCSc1nc2ccccc2n1C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 13775599 ZHRVTFJJYMMTIH-YGRLFVJLSA-N 369.317 5.380 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)C1 15106463 HJLKMEAWGDEDRM-XJKSGUPXSA-N 355.503 5.079 0 40 FKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 16045119 GWSGTZKTDCVJTJ-YBEGLDIGSA-N 356.208 5.746 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 20039956 MKPOIMOKRFLVRI-DYESRHJHSA-N 353.506 5.327 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 20158393 VBKQUTGXNAVDPA-UHFFFAOYSA-N 372.424 5.576 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CSc2ccccc2)cc1 20481255 QHDZZUGYTHHOHH-HSZRJFAPSA-N 373.521 5.786 0 40 FKAB O=C(Nc1ccc2cc[nH]c2c1)c1ccc2nc(C(F)(F)F)sc2c1 20716650 JQYBXRLDFXXFJP-UHFFFAOYSA-N 361.348 5.049 0 40 FKAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1 21017230 RQPNQOHXJJTWRS-UHFFFAOYSA-N 351.409 5.249 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38856675 OZBUSZQXHQJJEA-GOSISDBHSA-N 370.924 5.314 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2)cc1C 44470839 VDEXNRYVXWJZDS-UHFFFAOYSA-N 362.404 5.012 0 40 FKAB CC(C)C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 44886285 XMDKYCGHZBAHJX-IBGZPJMESA-N 361.938 5.477 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1Br 46569604 VDLGBIIQRYQFLV-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3cccc(F)c3C)ccc21 51354525 UGCXHHNZSZRISI-UHFFFAOYSA-N 361.420 5.906 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997129 JAEYJURGEDTWQQ-UHFFFAOYSA-N 370.836 5.343 0 40 FKAB Clc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccccn2)n1 72357720 USHGHVMEFZIVAC-JOCHJYFZSA-N 363.892 5.058 0 40 FKAB CCCN(C(=O)c1cn2c(C)cccc2n1)[C@H](C)c1cc2ccccc2o1 95954632 BLZUFYFNOMSCTO-MRXNPFEDSA-N 361.445 5.002 0 40 FKAB NC(=O)c1ccccc1/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 101168606 KKYOUUOVONQGSL-NCELDCMTSA-N 374.827 5.085 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915042 CLPGKLFDFQUHLE-RHCGTSLQSA-N 360.538 5.166 0 40 FKAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222904604 VMNLXCGCOSLASW-SFHVURJKSA-N 367.558 5.293 0 40 FKAB Cc1cc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 225644171 ZICUJZNNXHIJHP-UHFFFAOYSA-N 365.860 6.310 0 40 FKAB S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 408571706 CZNNBRJYFJTEEQ-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(Cl)cc(Cl)c1 408600596 DUJQUCLTZZFYSG-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)cc1 409114127 IYDKRODHGSJXDU-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Oc3cccc4cccnc34)cc2)c1 409184148 XFQQFPBKBGCIOT-UHFFFAOYSA-N 369.420 5.341 0 40 FKAB CCCCCN1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2OC)C1=O 409218712 XRGHQSQEVMHLMZ-JYRVWZFOSA-N 374.289 5.229 0 40 FKAB Cc1cccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCC(C)(C)S2)c1 1044348 FHCIVZYOKJOWFZ-UHFFFAOYSA-N 373.909 5.568 0 40 FKAB Fc1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)nc23)cc1 1390653 YUITUCJERKXZRM-UHFFFAOYSA-N 357.310 5.221 0 40 FKAB Cc1cc2oc(=O)cc(C)c2c2occ(-c3ccc(Br)cc3)c12 2148239 SJIWMUDTJFLISD-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB biogenic CCCCC1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1 2494754 PHNZIBKFJKUYEE-UHFFFAOYSA-N 363.299 5.963 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2ncsc2c1 4088531 WCJUHKKBKHLPBH-UHFFFAOYSA-N 371.421 5.357 0 40 FKAB Cc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccccc3)=NN2)cc1 4129731 IDLWPISCLQDHPV-UHFFFAOYSA-N 361.448 5.582 0 40 FKAB Cc1ccc(C)n1CCCCCCCCCCCCn1c(C)ccc1C 4721343 LQSBLIDJQJJWPW-UHFFFAOYSA-N 356.598 7.124 0 40 FKAB Cc1n[nH]c(-c2ccc(OCc3ccccc3F)cc2O)c1-c1ccccc1 5155737 BYQQPCNMCMJMBM-UHFFFAOYSA-N 374.415 5.476 0 40 FKAB COc1cc2c(cc1NC(=S)NC1CCCCC1)oc1ccccc12 5335158 VIABXLZHQOEQHY-UHFFFAOYSA-N 354.475 5.214 0 40 FKAB COc1ccc([C@H](CCNCc2ccc3c(c2)OCO3)CCC(C)C)cc1 5478449 OWZNTDOGDXBKDM-FQEVSTJZSA-N 369.505 5.124 0 40 FKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 6999018 KLWOZUFXDWAFLV-UHFFFAOYSA-N 358.290 5.092 0 40 FKAB S=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1Cl 7156001 LQVKAXPJKGLDNZ-UHFFFAOYSA-N 369.361 5.496 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 9660016 OPLJSNOMUAQEHB-SDNWHVSQSA-N 367.404 5.112 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 9698466 OIWPPNLMQHFKAC-OAQYLSRUSA-N 371.415 5.176 0 40 FKAB O=C(O)[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 12249693 FQIXXCWQCRXWEY-FQEVSTJZSA-N 372.449 5.215 0 40 FKAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1c(Cl)cccc1Cl 12557208 LDKMYCRZMGPQGU-UHFFFAOYSA-N 358.290 5.226 0 40 FKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 13895943 IUMHZMIFVLAVLG-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13994560 ACKYMXAVJQTJTD-OAQYLSRUSA-N 361.441 5.583 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 21311973 QDISLZOKLMKUCF-CYBMUJFWSA-N 351.368 5.235 0 40 FKAB CCN1CCC[C@H](N[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 22595085 RONGSPKZYAIJGX-HKUYNNGSSA-N 372.965 5.162 0 40 FKAB Fc1ccc(-c2cnc(CSc3nc(-c4ccccc4)c[nH]3)o2)cc1 27660704 ZPSLEILUBFQNDN-UHFFFAOYSA-N 351.406 5.163 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 32623043 KSQOBBPXYRSVPX-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1sccc1Br 40132726 XCAYIPQQTOTANW-UHFFFAOYSA-N 373.684 5.026 0 40 FKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(C)cc2)cc1 44086538 CJOBXDHUPXVPQT-UHFFFAOYSA-N 370.521 6.448 0 40 FKAB O=C1N=C(Nc2ccc(Cl)cc2)/C(=C/c2cccc3nccnc23)S1 71285032 IELLXRZLFMDIKY-GDNBJRDFSA-N 366.833 5.002 0 40 FKAB O=C(NNc1cccc(Cl)c1)c1cc2sc3ccccc3c2s1 84594575 GLLYLADDYWYZAR-UHFFFAOYSA-N 358.875 5.526 0 40 FKAB Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1Cl 95455377 SMDGSJOVJWAACU-QGZVFWFLSA-N 360.889 5.138 0 40 FKAB COc1ccccc1NC(=O)c1ccc(NCc2ccc(Cl)s2)cc1 95964718 RXULSJPGVFGDEB-UHFFFAOYSA-N 372.877 5.275 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 100016924 QMVCEBOCNCJYHR-WNOJEFIBSA-N 361.485 5.387 0 40 FKAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1 222833801 KKZVJDHHOGEECU-KRWDZBQOSA-N 361.485 5.394 0 40 FKAB CC(C)c1ccccc1O[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 225091243 VYCCVJBFTVLUBI-KRWDZBQOSA-N 353.245 5.192 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225865411 GRTVCDCMGIGINW-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc(Cl)c1)N2 245380737 JSDSWYFAEKEBDJ-CQTZQYROSA-N 353.849 5.335 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)c(C)s1 408578669 AHKNLOCHXMALLS-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CCOc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 409110973 HQAOZICGCHRJPN-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 1400541 IIOJUVFVCQOIJY-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3cccc(F)c3)c2cc1C 1401765 RXPPGEPLDJCMIR-UHFFFAOYSA-N 365.839 5.556 0 40 FKAB S=C(Nc1ccccc1)N1[C@@H](c2ccccc2)CCN1Cc1ccccc1 1443404 UCEBNLUZRMPKOL-JOCHJYFZSA-N 373.525 5.248 0 40 FKAB Cc1ccc(C)c(OCCCC(=O)Nc2nc3ccc(C)cc3s2)c1 1779283 QHGBZVHXAYCCPX-UHFFFAOYSA-N 354.475 5.019 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 4292206 XRHOEVVTLKLFED-UHFFFAOYSA-N 365.241 5.058 0 40 FKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1C 4487758 QIQGNEXSUJPWIC-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1 4822051 JUGAGURZUCFILE-XZOQPEGZSA-N 355.497 5.223 0 40 FKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4853972 PUOXIOJLSNXIOS-JTHBVZDNSA-N 374.871 5.891 0 40 FKAB CCCCCCNc1nc(Oc2ccccc2)nc(Oc2ccccc2)n1 4866078 ZNFBGKZZOOHEKS-UHFFFAOYSA-N 364.449 5.448 0 40 FKAB Cc1ccccc1C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C 5108282 ZVISGQRBPCYDQB-UHFFFAOYSA-N 370.905 5.053 0 40 FKAB CC(=O)c1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1 6313287 ZEUYKLQQXFNBHO-UHFFFAOYSA-N 351.409 5.148 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 6628337 WZXBDOAXNWVODF-UHFFFAOYSA-N 373.909 5.379 0 40 FKAB COc1ccc(-c2c/c(=N/c3cc(C)cc(C)c3)c3cc(O)ccc3o2)cc1 13773824 XBLJQCDXAODASW-LVWGJNHUSA-N 371.436 5.663 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 13994802 SBCCFHXIWVSADA-OAHLLOKOSA-N 372.679 5.751 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 15867403 KQGCUBIWGVCBNQ-UHFFFAOYSA-N 369.848 5.488 0 40 FKAB Cc1c(Cl)cccc1Nc1nc(-c2ccccc2O)nc2ccccc12 17194815 CZGGVGSLMDEFEM-UHFFFAOYSA-N 361.832 5.708 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610456 OOOGYEVMGKRCCX-UHFFFAOYSA-N 370.456 5.105 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NC1CCCCC1 22053636 VKXYZZDRQVJWTI-UHFFFAOYSA-N 363.383 5.097 0 40 FKAB COc1cccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)c1 27664323 RHLMNUSUXBITKV-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820759 RVGVSOKFBAOUCH-XNOSPDIJSA-N 374.565 5.715 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38856903 XYXHDZWAUQKVMG-LJQANCHMSA-N 370.924 5.062 0 40 FKAB Cc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)c(C)c1 46914159 GEEXUGLERWHSRI-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)cc1 48262098 FZWYECFTKZUNKL-QFIPXVFZSA-N 362.473 5.386 0 40 FKAB CCc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 72314277 FTSRWMFYQVCKLM-IBGZPJMESA-N 374.488 5.051 0 40 FKAB CP(C)(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1 142387699 BISYEOBFWRIUCX-UHFFFAOYSA-N 354.279 5.082 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1Cl 216299426 USWKLPPERZNZOQ-INIZCTEOSA-N 352.261 5.406 0 40 FKAB Cc1cc(C)cc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222715084 QUJDJDSBPKWQGG-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc2ccccc12 223006685 IJYZMKIOYGPQJV-HXUWFJFHSA-N 353.849 5.598 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1C(C)C 223268771 BMYGDGJDMCQYML-IAGOWNOFSA-N 371.546 5.485 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2OC(C)C)c1 223334057 LRMOFBSZSHQARL-KRWDZBQOSA-N 355.478 5.312 0 40 FKAB CC(C)(C)c1ccccc1OCCNC(=S)Nc1ccc(Cl)cc1 223740595 QPWHYWANBXRXGZ-UHFFFAOYSA-N 362.926 5.003 0 40 FKAB CCCCNC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224659099 WASLBBANDDFLJZ-UHFFFAOYSA-N 357.519 5.216 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccccc2CC)ccc1OCC 224725723 NGQOINUOXUJVNK-UHFFFAOYSA-N 355.478 5.217 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225539187 DTVUTBAFPFXXTI-LJQANCHMSA-N 365.517 6.013 0 40 FKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc2c(c1)CCCC2 225628436 VJYXZEDFVPKMTC-UHFFFAOYSA-N 364.670 5.234 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 225669865 CYXFWGBVLWRALO-IBGZPJMESA-N 373.496 6.191 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 225683996 PPLNLXLNVLQVPQ-UHFFFAOYSA-N 363.432 5.438 0 40 FKAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl 225861656 LEOSVCKHUURVGJ-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)c2ccccc21 409117165 QLGKFSSRBUGZOT-PGMHBOJBSA-N 355.437 5.173 0 40 FKAB Cc1ccc(C)c(NCc2ccccc2OCc2cccc3ccccc23)c1 409122313 XSMKXVSOSVBCMY-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Cc1cc(C)c2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)sc2c1 1775977968 YYKYKZYQFOCJRF-LSDHHAIUSA-N 356.878 5.309 0 40 FKAB CCCCCCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 1775062 IJKQMUVDIXNPLO-UHFFFAOYSA-N 372.848 6.198 0 40 FKAB Cc1ccc2nc(C)c(CC=C(Cl)Cl)c(Nc3ccccc3)c2c1 2316890 HXUFKYSDFZXJQX-UHFFFAOYSA-N 357.284 6.457 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 2512720 JFLNDQURMRJHIC-UHFFFAOYSA-N 367.798 5.809 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H]1C[C@@H](c2ccccc2)CCC1=O 3851762 CBLGISWYJDCLIC-QQRBNAFBSA-N 371.521 5.079 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)CC34CC5CC(CC(C5)C3)C4)s2)cc1 4079023 CEASZOTWIVUAKH-UHFFFAOYSA-N 367.518 5.059 0 40 FKAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl 4659345 SQOASPHGMBOBMW-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)nc3n2C)cc1 4678363 SKBBZKQGFWPKEN-UHFFFAOYSA-N 363.464 5.982 0 40 FKAB O=C1[C@H](C[C@H]2CCC[C@H](C3=CCCCC3)C2=O)CCC[C@@H]1C1=CCCCC1 4762708 PDNWKQHNXHCVTK-KAOXLYBCSA-N 368.561 6.348 0 40 FKAB CC(C)Cc1ccc(-c2csc(N[C@H]3OC(=O)c4ccccc43)n2)cc1 4995969 DJUHRMJVXBJOMN-IBGZPJMESA-N 364.470 5.290 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1CC/C2=N\C1CCCCC1 5377435 UBVDQPPYMIRBTH-BDIYPXELSA-N 355.610 7.193 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc2ccc(Cl)cc2s1 5897300 BQEKYQLUBQKAMI-UHFFFAOYSA-N 360.910 5.495 0 40 FKAB CC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 6882529 ITESJONAXZLOCY-UHFFFAOYSA-N 372.723 6.114 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1nc2c(ccc3ccccc32)s1 6942432 NZFCXHWJSFIQDI-UHFFFAOYSA-N 353.834 5.747 0 40 FKAB CCOc1ccc(N(C(=O)[C@H]2C[C@@H]2C)c2nc3ccccc3s2)cc1 7779831 CAWNACHOWYIRJQ-BBRMVZONSA-N 352.459 5.016 0 40 FKAB CCc1ccc([C@@H](N[C@H](C)c2nnc(-c3cccc(C)c3)o2)C(C)C)cc1 11049737 ZXBXZGABBYYPMV-UTKZUKDTSA-N 363.505 5.655 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)cc3C)s2)cc1 12899207 CLUGIAWMVBJIAW-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB Cc1ccc2oc(C[C@H]3C(=O)Nc4ccc(Br)cc43)c(C)c2c1 15017883 LCJZHEKPJYJTHK-OAHLLOKOSA-N 370.246 5.091 0 40 FKAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccs4)nc32)cc1C 15842366 QFKKWJGGDFRVKI-UHFFFAOYSA-N 373.485 5.030 0 40 FKAB COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 29485032 CKXKZYWJIGZVRR-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB Cc1ccc(NC(=S)Nc2cc(F)ccc2C)c(Br)c1 71761607 XSTPETFUEWAFNA-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)N1CCC[C@@H]1c1cccc(F)c1 71818672 OFGGZKUQJBRWRQ-GOSISDBHSA-N 367.449 5.318 0 40 FKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 71844344 FJJMINORVUDZFY-NQIIRXRSSA-N 357.444 5.082 0 40 FKAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC[C@@H]2CCC[C@@H]21 75104801 XJKQFOYEAZMGJL-RXVVDRJESA-N 356.510 5.332 0 40 FKAB Cc1c(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)oc2ccccc12 96194420 RLYBEQFOHYIYSC-UHFFFAOYSA-N 371.425 5.056 0 40 FKAB CC(C)(C)Nc1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl 97117396 IMHKWEIYIUVCNY-UHFFFAOYSA-N 366.292 5.254 0 40 FKAB CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 139052736 SKEIENPDXSFMHH-XIOQGWQRSA-N 356.550 6.075 0 40 FKAB O=C(Nc1ccccc1Cl)N1CCS[C@@H](c2ccccc2F)CC1 219141069 GLCWTXRELKWZBH-QGZVFWFLSA-N 364.873 5.191 0 40 FKAB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222940556 JXESGFCTAMFXIR-SFHVURJKSA-N 363.545 5.673 0 40 FKAB CC(C)CSc1nnc(NC(=O)c2ccccc2SC(C)C)s1 224516022 YGMGRKUBZFMUAV-UHFFFAOYSA-N 367.565 5.039 0 40 FKAB CC(C)OC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225432054 JMYRGEDGKHRWCJ-UHFFFAOYSA-N 362.429 5.370 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c2ccccc12 225851011 LAHOBRAUQPNNBV-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1cc2c(ccc3ccccc32)o1 408615149 MQFCTDHIHXJDFN-UHFFFAOYSA-N 363.416 6.505 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(F)cc2)cc1 409114824 JMELIGVRMUNFOY-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccc(C)cc2)c(Cl)c1 409116684 JZOOLNPGFABQHD-UHFFFAOYSA-N 365.904 6.402 0 40 FKAB CCc1ccc(-c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)cc2)cc1 1337680 VIOXHBJPCOGERF-UHFFFAOYSA-N 358.441 5.127 0 40 FKAB O=C(/C=C/c1ccc(Br)cc1)Nc1cccc2ccccc12 1429087 FTUFJCJPQZVRTA-JLHYYAGUSA-N 352.231 5.254 0 40 FKAB O=C1c2ccccc2[C@](c2ccccc2)(N2CCCCC2)N1c1ccccc1 1686907 XOFLLIGIYUYVOD-RUZDIDTESA-N 368.480 5.034 0 40 FKAB O=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 1758654 YYWWGHQMONYPEV-UHFFFAOYSA-N 350.417 6.386 0 40 FKAB CCc1ccc(C)c(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 2065797 PGYQKGDYZANERL-SFHVURJKSA-N 372.464 5.498 0 40 FKAB COc1ccc(-c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 4321008 DPEKNRZYMKQEMI-UHFFFAOYSA-N 363.848 5.342 0 40 FKAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 4538902 HNEMTBGOBJJKCE-UHFFFAOYSA-N 351.789 5.257 0 40 FKAB CC(/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O)=C\c1ccccc1 4589030 QFXBVSWHVLENBY-YZXVBUGESA-N 358.224 5.284 0 40 FKAB CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@](C)(CNC(=O)C3CC3)[C@@H]1CC2 4698059 MYJYYQOEZZKMCH-QPTUXGOLSA-N 353.550 5.347 0 40 FKAB CCn1c2ccccc2c2cc(-n3c(C)c4c(C)nnc(C)c4c3C)ccc21 5274523 WDZUQYOMYGYZHP-UHFFFAOYSA-N 368.484 5.782 0 40 FKAB CCO[C@@H](c1ccc(OC)cc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 5839468 AUJGOUPFFHBOFK-QFIPXVFZSA-N 370.533 6.122 0 40 FKAB Cc1ccc2c(c1)-c1sc(C(=O)Oc3ccc(Cl)cc3)cc1CS2 5942797 KOGBTTNAEMKNQA-UHFFFAOYSA-N 372.898 6.202 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1ccc(NC(=O)[C@H](CC)CCCC)cc1 6042859 DQNQSMCMWQELFO-QZTJIDSGSA-N 360.542 5.996 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 6203957 KHOAEXDBTNLJKV-UHFFFAOYSA-N 361.441 5.910 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc(Cl)c1Cl 7344844 IKEUQFMQWZOLTG-UHFFFAOYSA-N 356.252 5.837 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 13931721 BAAVQGKBZUCUGW-INIZCTEOSA-N 352.425 5.452 0 40 FKAB Clc1cc(Cl)cc(-c2nccc(-c3ccc4ccccc4c3)n2)c1 16545883 AKMNUODRUABTKR-UHFFFAOYSA-N 351.236 6.271 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 20035971 ZIZZRZOPQHQTDV-FCHUYYIVSA-N 353.506 5.364 0 40 FKAB CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21 21596595 OTXLFXQHQGKMCV-UHFFFAOYSA-N 364.474 5.007 0 40 FKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)n2)cc1 32623163 VTOPNDAQRVLKJO-UHFFFAOYSA-N 369.424 5.273 0 40 FKAB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 40005227 WROYRKHIVBEPII-LBPRGKRZSA-N 373.861 5.217 0 40 FKAB COc1ccc(-c2cc3c(-c4ccc(O)cc4)c(C)ccc3oc2=O)cc1 71405000 ZNRRCKYTERHEOC-UHFFFAOYSA-N 358.393 5.150 0 40 FKAB Nc1nc(-c2cccc(Cl)c2)cc(-c2ccc(Cl)c(Cl)c2)n1 71977929 HLWOUCRCMRSQLM-UHFFFAOYSA-N 350.636 5.353 0 40 FKAB Cc1cc(Cl)nc(Cl)c1NC(=O)c1cc2ccccc2c(Cl)n1 79023056 REAPPWOIESXUAR-UHFFFAOYSA-N 366.635 5.151 0 40 FKAB Clc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c(Br)c1 85345383 MSPQHGYCEADHIK-UHFFFAOYSA-N 373.637 5.906 0 40 FKAB Clc1ccccc1/C=C1/c2ccccc2-c2ccc(Br)cc21 90549802 QRRHSQWZGDECJM-WQRHYEAKSA-N 367.673 6.672 0 40 FKAB O=C(NCc1ccc2ccccc2c1)C(c1ccccc1)c1ccccc1 222745819 YNGYZUVRSSLOQB-UHFFFAOYSA-N 351.449 5.288 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1cccc(C)c1 224108311 XWSZFCVCUYYSTN-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225640901 AWZOUZVHDPPCMP-UXHICEINSA-N 367.489 5.043 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C)CC[C@H]2C)c1 248329670 DRSPVCXBVVVLIJ-LTFXSFKNSA-N 356.506 5.659 0 40 FKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC 408602057 CAYKXHDSBMGCSC-WEVVVXLNSA-N 366.244 5.053 0 40 FKAB Cc1ccc(N2C(=N)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1Cl 408849431 ZZXDZUGRMRBYEZ-NSUDZLJRSA-N 367.861 5.185 0 40 FKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(C(C)C)C2=O)cc1 409062462 VEXDVDATMBZKPH-UNOMPAQXSA-N 367.470 5.019 0 40 FKAB Fc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)cc1Br 1504250430 LHZDBSOSCPEJAP-UHFFFAOYSA-N 371.074 5.678 0 40 FKAB CCOP(=O)(Cc1cc(Br)c2ccccc2c1)OCC 1776004699 XVAJGMIQIZNEKS-UHFFFAOYSA-N 357.184 5.368 0 40 FKAB O=C(Oc1cccc2cccnc12)c1ccc(OCc2ccccc2)cc1 659049 FYIBOTYUSIOHDN-UHFFFAOYSA-N 355.393 5.033 0 40 FKAB Fc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3ccccc3)[C@@H]1CO2 990171 FOPDPYXTMDLFGK-VGSWGCGISA-N 361.441 5.802 0 40 FKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 993505 BYHVBOKYMMJGHU-UFBFGSQYSA-N 353.076 5.523 0 40 FKAB CC[C@@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C 1412568 GTZVMLBDLMWVMM-NQIIRXRSSA-N 362.494 5.763 0 40 FKAB CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2cccc(C)c2)cc1 1434884 XRTLCEAXDFXRCZ-UHFFFAOYSA-N 370.518 5.033 0 40 FKAB O=P(Nc1ccccc1)(OCc1ccccc1)OCc1ccccc1 1712134 QHAMRRYRTCVVSF-UHFFFAOYSA-N 353.358 5.640 0 40 FKAB CCCOc1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1 1788700 VIVHHSXKBZQSLO-UHFFFAOYSA-N 361.489 5.830 0 40 FKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cccc(Cl)c3)c1-2 1788953 UEPKDLJALKDOCR-UZYVYHOESA-N 372.946 6.331 0 40 FKAB Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3cccc(C)c3n2)cc1 2078933 OLRDRKZWUVKUPG-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB COc1cccc(-c2nc(Sc3ccccc3)c3ccccc3n2)c1O 2241476 ADOREIKCOFJCOG-UHFFFAOYSA-N 360.438 5.162 0 40 FKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1ccco1 2279114 QRCMKCXYUBFQCK-ABZZFDDBSA-N 371.480 5.219 0 40 FKAB CCCc1nc2sc3c(N4CCCC[C@H]4C)ncnc3c2c2c1CCC2 2400667 LAJZKBGVRMXPNK-CYBMUJFWSA-N 366.534 5.060 0 40 FKAB Cc1cccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c1 2409325 YDVKKSNROAXQKM-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB FC(F)(F)c1cnc2c(-c3ccccc3)nnc(-c3ccccc3)c2c1 3134962 GDCWNEHRQBXXNW-UHFFFAOYSA-N 351.331 5.378 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 3284105 CNTMLZYTJRRZIF-UHFFFAOYSA-N 369.386 5.154 0 40 FKAB CC(C)(C)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 3346143 CAARUYHZTNIPNY-UHFFFAOYSA-N 372.968 5.191 0 40 FKAB CCCn1c(C)cc(C(=O)COc2ccc(Cl)c3ccccc23)c1C 3448620 MWJXGDYHHGWKHU-UHFFFAOYSA-N 355.865 5.583 0 40 FKAB Cc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 3898724 XTTXUFMDJYOGKF-UHFFFAOYSA-N 352.503 5.172 0 40 FKAB COC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 4026456 OKMHWOWJDRPCCT-OYGDUULSSA-N 356.506 5.165 0 40 FKAB biogenic CC[C@]1(C)C[C@@](CCNCc2ccccc2)(c2ccccc2OC)CCO1 4111104 ZDVSWFOKMBUCNJ-RPWUZVMVSA-N 367.533 5.092 0 40 FKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1Cl 4969890 AXERJZBIRMCZPH-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB CCc1nc(N2CCC(Cc3ccccc3)CC2)c2oc3ccccc3c2n1 5156964 UWBNQJLXIFPIAO-UHFFFAOYSA-N 371.484 5.398 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 5400605 FMZOAJPTIVYIRF-UHFFFAOYSA-N 368.531 5.215 0 40 FKAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](C1CCCC1)Cc1ccccc1-2 5807076 HCBYMXRNQWBYOW-QGZVFWFLSA-N 354.519 5.159 0 40 FKAB O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccc(Cl)cc1Cl 5860549 FNHUPSNRHFPZQL-UHFFFAOYSA-N 371.647 5.353 0 40 FKAB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1Cl 6346602 NYXIDOLUIBZRPL-UHFFFAOYSA-N 360.240 5.468 0 40 FKAB CCN(C(=O)Nc1cc(C)ccc1C)c1nc(-c2ccc(C)cc2)cs1 6826665 SYCBCDYJYICHBZ-UHFFFAOYSA-N 365.502 5.794 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc2ccccc2c1 6897070 UGASOTXOIRTNFP-UHFFFAOYSA-N 350.849 5.346 0 40 FKAB C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(Cl)c1 8050589 HAOZUFAMQSJWPB-CYBMUJFWSA-N 374.868 5.178 0 40 FKAB COc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 10475487 NFPIPKZFOWNCNU-UHFFFAOYSA-N 366.273 5.079 0 40 FKAB Fc1ccccc1COc1ccc2c(Cc3ccc(Cl)cc3)noc2c1 11865379 GTCYIPLGDAIXSQ-UHFFFAOYSA-N 367.807 5.790 0 40 FKAB O=C(NC1CC1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccc(F)cc1 12475940 IFUULAZSZHTHJU-INIZCTEOSA-N 370.276 5.245 0 40 FKAB O=C(CCc1ccccc1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 12790580 WRKRFHYVDZNXJB-HXUWFJFHSA-N 374.509 5.110 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)cc2F)c2ccccc2)cc1 16243025 FBERIPNEWTXCDC-HXUWFJFHSA-N 368.452 5.349 0 40 FKAB Cc1cccc(-n2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c1 17074215 AMZKIEYLBFRNIR-UHFFFAOYSA-N 360.407 6.101 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1 20411261 XDGXCFTYZSLKKZ-ZRDIBKRKSA-N 372.424 5.863 0 40 FKAB C[C@H]1CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3ccccc3)c2C1 20671892 UXIHSNIYSBRFDH-CYBMUJFWSA-N 351.837 5.034 0 40 FKAB Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)c(C)s2)cs1 26981984 SCYKQWFWRIAQBT-UHFFFAOYSA-N 371.531 5.069 0 40 FKAB Cc1ccc(-c2noc(Cc3nc(-c4ccc(C)c(C)c4)cs3)n2)cc1 33298167 FOTRVDCPXZZZCR-UHFFFAOYSA-N 361.470 5.376 0 40 FKAB OCc1cc(Cl)cc(Cl)c1OCc1c(Cl)cccc1Cl 35662691 SJRUDSSRTJKENM-UHFFFAOYSA-N 352.044 5.372 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccccc1 38756143 AQLKXKKWJFFYFN-RDPSFJRHSA-N 373.496 5.285 0 40 FKAB Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1 45891563 FNFDTPZRWKRDDT-UHFFFAOYSA-N 372.664 5.091 0 40 FKAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1 61997164 GHWKNNDYEMCUKT-UHFFFAOYSA-N 356.809 5.035 0 40 FKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1C 67297331 ZOTGGEYYULIZKV-LCUIJRPUSA-N 368.436 5.534 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 71761867 NADWJYIGILSCET-UHFFFAOYSA-N 374.815 5.485 0 40 FKAB CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 100035615 PGBOJQDLNPQVCK-QGFMHUBQSA-N 366.511 7.764 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(C)c(C)c5)(C4)C2)C3)cc1 102131729 XQYUEWUICIBOOA-QJMPUOCTSA-N 373.540 6.089 0 40 FKAB CC(C)(C)c1nc2cc(NC(=O)N3CCC[C@@H]3c3ccco3)ccc2o1 118033233 NJODZGRQVOGRHE-OAHLLOKOSA-N 353.422 5.087 0 40 FKAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 222741143 LBMJHEBRORNHHL-QGZVFWFLSA-N 355.547 5.403 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(C)cc(C)cc1C 224362631 LXFBNKDWSRKXNT-OAQYLSRUSA-N 351.490 5.287 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224437988 NHCSLRAAEYLUIO-HXUWFJFHSA-N 359.425 5.691 0 40 FKAB CC(C)OCCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225375006 MGNYTWDXGDTQMA-UHFFFAOYSA-N 374.575 5.080 0 40 FKAB CC(C)C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 225493380 XUEYNXSIESKNTC-QGZVFWFLSA-N 350.890 5.553 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225538161 FHVTYGVVCJKVTM-KRWDZBQOSA-N 368.546 5.672 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc(Cl)c2)cc1 409115256 IAOQNTMEPBJOTB-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCOc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 409115348 MAEOLYQOMUPCMD-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(C)c1 714988 KRMAIDAWUCBBDH-UHFFFAOYSA-N 365.454 5.153 0 40 FKAB CCCc1nc(SCC(=O)c2cccs2)c2c(C)c(C)sc2n1 1372213 ANIQUIRJAPKZIY-UHFFFAOYSA-N 362.545 5.297 0 40 FKAB Fc1ccc(-c2c3c(nc4nc5ccccc5n24)-c2ccccc2OC3)cc1 1428858 SAPAEYXPDVJVKU-UHFFFAOYSA-N 367.383 5.248 0 40 FKAB Cc1ccc(S(=O)(=O)/C=C(/C=C/c2ccccc2)c2ccccc2)cc1 1727719 QQDNIDJIUIOMIN-CESFLCHSSA-N 360.478 5.523 0 40 FKAB CCCOc1ccccc1Nc1c(C(=O)OCC)cnc2ccc(C)cc12 1777766 QLGUTTNNLNNWPK-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB CCOC(=O)c1c(C)n(CCc2ccccc2)c2c1cc(O)c1ccccc12 2296953 OFUMQVHPBXGKCS-UHFFFAOYSA-N 373.452 5.228 0 40 FKAB O=C(c1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1Cl 2540161 FXMWBLIZUOCAJC-UHFFFAOYSA-N 356.752 5.684 0 40 FKAB CCn1nc(C)c2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 2732352 HUTSDDUXOMFQAI-UHFFFAOYSA-N 356.203 5.671 0 40 FKAB Cc1ccc(Cl)cc1N[P@](C)(=O)Oc1ccc(Cl)cc1Cl 3154603 ZYIPPXDOILERRA-OAQYLSRUSA-N 364.596 6.269 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl 3534489 QIRLTERTKOVESP-UHFFFAOYSA-N 357.240 5.495 0 40 FKAB Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)c(Cl)c3)sc2n1 4116085 DIZUBQFTMLBFSQ-UHFFFAOYSA-N 351.258 5.033 0 40 FKAB CCCC[C@@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 4289951 POFXFTVXJUYYRI-AQENTZESSA-N 365.561 6.046 0 40 FKAB O=C(CSCc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 4589804 KBBJIFNYXJJAEI-UHFFFAOYSA-N 374.465 5.367 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@@H](C)c2ccccc2)cc1 4691521 KHTFQQBMMTVIDX-MSOLQXFVSA-N 366.505 5.042 0 40 FKAB Cc1ccc(-c2nc(CSc3ncnc4sccc34)cs2)cc1 6115575 XXAQPDDXKQUAFC-UHFFFAOYSA-N 355.513 5.416 0 40 FKAB CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)Cc2ccco2)cc1 6747437 HZCAASBSZCSSBX-UHFFFAOYSA-N 363.457 5.083 0 40 FKAB CCN(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(C)cc2)cs1 6826671 NXZLFAJKMXAYAH-UHFFFAOYSA-N 355.438 5.316 0 40 FKAB Cc1ccccc1-c1cc(-c2ccco2)c2c3c(sc2n1)C[C@H](C)CC3 7148375 BGSXPOHDVJFPDM-CQSZACIVSA-N 359.494 6.657 0 40 FKAB Cc1csc(Cc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)n1 8298412 SIPZNMSJXMJWPX-UHFFFAOYSA-N 369.515 5.225 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[P@@](=O)(Nc1ccccc1)c1ccccc1 11617163 CPRRSKIORQJWCQ-LLHPUKMZSA-N 355.462 6.163 0 40 FKAB Cc1cc(C)c(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(C)c1 14426277 BXJXIFWLTKVMCP-UHFFFAOYSA-N 367.880 5.071 0 40 FKAB CCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C 14654744 ADOOIRISVDSEFC-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB CCc1ccccc1NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 14709754 CDBPXWVAJQPVSD-UHFFFAOYSA-N 355.441 5.149 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)C1 15106881 FQWMVDWYQRRAQL-CZUORRHYSA-N 357.494 5.512 0 40 FKAB Cc1cccc(N(c2ccc3ccccc3c2)c2ccc(C(=O)O)s2)c1 16349429 PZJAZYCQODWJLW-UHFFFAOYSA-N 359.450 6.378 0 40 FKAB C(=C/C1N(Cc2ccccc2)CCN1Cc1ccccc1)\c1ccccc1 19325034 SUZXCMFTAFNBCZ-WUKNDPDISA-N 354.497 5.044 0 40 FKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)C1 20490810 WCNKLULQXCGKBP-GOSISDBHSA-N 358.485 5.324 0 40 FKAB Cc1noc([C@@H](C)Sc2nc(C)nc3sc(-c4ccccc4)cc23)n1 22830965 LLKVAJKZIUXOOM-SNVBAGLBSA-N 368.487 5.211 0 40 FKAB C[C@H]1CCN=C(N(CC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 27526042 DJORPIOBQCENQJ-MRXNPFEDSA-N 354.881 5.248 0 40 FKAB Clc1cccc(-c2cnc(CSc3ncnc4ccccc34)o2)c1 32855269 MYLDCFKNQXMUTF-UHFFFAOYSA-N 353.834 5.231 0 40 FKAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccc2ccccc2c1 36649137 HZWHKEDQRRTVSW-UHFFFAOYSA-N 374.827 5.113 0 40 FKAB COC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127221 JBFLUKOBRRGFJC-UHFFFAOYSA-N 356.592 5.242 0 40 FKAB Cc1cc2oc(=O)cc(CN[C@@H](c3ccc(F)cc3)C(C)C)c2cc1C 58054134 WCQRQGDAJGIPBU-JOCHJYFZSA-N 353.437 5.036 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212175 DTJJUUSOODAHBM-OAQYLSRUSA-N 358.441 5.241 0 40 FKAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2cc3ccccc3o2)s1 96024517 IOPPJXRRTIWEFG-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB CCCCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C 100741001 ULKPKSITLDMDMJ-MMXRJIGESA-N 365.558 5.325 0 40 FKAB biogenic Oc1c(Sc2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1ccccc1 100888897 NZOFYRYHEORORL-UHFFFAOYSA-N 370.783 5.401 0 40 FKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 107040627 RJWFBJJZPUBAAK-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1cccc2ccccc12 225089074 AJTWJSAFPBBSBV-SFHVURJKSA-N 361.224 5.221 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1 225482975 NCLWUPIYRBLTOY-MRXNPFEDSA-N 363.324 5.195 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1Cl 225719314 ZDUGDGWIHHMIIU-KUHUBIRLSA-N 353.890 5.053 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c2ccccc12 225803342 LCNBPZGQOYHOFB-QFIPXVFZSA-N 357.494 5.553 0 40 FKAB CCOc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225862262 PTFYFSJZTFPEGV-UHFFFAOYSA-N 374.937 5.495 0 40 FKAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1 225899173 MCKJMGQMRQOQJI-LLVKDONJSA-N 361.228 5.139 0 40 FKAB CCOC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244382 HCNHCQHFYWRENT-UHFFFAOYSA-N 364.022 5.193 0 40 FKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 408733188 FVMHFAPEBIYZFV-HOYKHHGWSA-N 370.496 6.280 0 40 FKAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)c1 409000527 TVYUXCRLXHBGBK-VSKRKVRLSA-N 355.437 5.164 0 40 FKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1cccc(F)c1 409118255 NNRCQHTZIKPGQC-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCCC2)c(C(C)C)c1 823370 YUUAIBMNYZBGDX-UHFFFAOYSA-N 351.556 5.231 0 40 FKAB CC(C)CN(CC(C)C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 997807 LZLWMZPQFJRGGQ-NRFANRHFSA-N 355.547 5.661 0 40 FKAB Cc1ccc(Nc2ncnc3sc(SCc4ccccc4)nc23)cc1 1640554 TZAMHARWIDRMJE-UHFFFAOYSA-N 364.499 5.431 0 40 FKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)[C@H](C)c1cccs1 2344909 IOHZRYDGQFPHSM-XLIONFOSSA-N 367.514 5.781 0 40 FKAB Cc1nc(SCSc2nc3ccccc3s2)nc2c1CCCC2 2408054 RNHHDOJZSVVIKT-UHFFFAOYSA-N 359.545 5.115 0 40 FKAB CCCc1cc2c(=S)c(-c3ccc(C(=O)OCC)o3)coc2cc1OC 4137218 MUAQDGNFUYAHRJ-UHFFFAOYSA-N 372.442 5.560 0 40 FKAB COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5458958 SPRCRJFJKWTOIK-IRLDBZIGSA-N 355.441 5.191 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)Oc1ccccc1 6359457 UZILRBAZSASPFR-AWEZNQCLSA-N 373.909 5.384 0 40 FKAB CCCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 7261219 QYBXQZYXDAYWAM-UHFFFAOYSA-N 367.920 6.352 0 40 FKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Br)c1OC 7521337 CHFKTBMOICTFBI-UHFFFAOYSA-N 372.347 5.161 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@H]1CCCc2ccccc21 8126705 KWJRQOOZJRWYEU-NRFANRHFSA-N 350.506 5.066 0 40 FKAB O=C(CCCc1cccs1)Nc1ccc(-c2cn3ccsc3n2)cc1 8230928 XGCJQZDRQOERAA-UHFFFAOYSA-N 367.499 5.086 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 8369807 OEXLVSBMKHUVAQ-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230485 ORWAXOMCQWBMAF-UHFFFAOYSA-N 368.477 5.102 0 40 FKAB O=C(Nc1ccccc1O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12906231 LDTCBKZZZNNXBF-UHFFFAOYSA-N 374.371 5.106 0 40 FKAB CC(C)(C)n1c(-c2ccc(Cl)cc2)cs/c1=N\Cc1ccncc1 13285710 KOWGRPCTSTUWSP-PYCFMQQDSA-N 357.910 5.121 0 40 FKAB Clc1ccccc1CNCc1ccc(OCc2ccccc2Cl)cc1 16449745 VHNJXXBACWDMSM-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB Cc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 18179279 UNYPQOLPXCZZEL-QGZVFWFLSA-N 352.478 5.112 0 40 FKAB Clc1ccccc1CN1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 19349100 QOSXHZPWCWDSAN-MRXNPFEDSA-N 359.882 5.179 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 22511213 IMZZBRBVXSPQDY-LJQANCHMSA-N 364.533 5.513 0 40 FKAB Clc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1Cl 22852731 LCFUPXYGWYPSEN-CQSZACIVSA-N 360.288 5.249 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38771926 PUSUBNIKAHRONM-GOSISDBHSA-N 364.533 5.603 0 40 FKAB CC[C@@H]1CCCN(C(=O)Nc2cccc(C3SCCCS3)c2)C1 43832873 RONBXXGORJADTC-CQSZACIVSA-N 350.553 5.209 0 40 FKAB c1csc(-c2noc(CN3CCC[C@H]3c3cccc4ccccc34)n2)c1 69951097 DPTKCQJEYNHOHK-SFHVURJKSA-N 361.470 5.288 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 78458552 LQSYOJGRUXKTPH-VGOFRKELSA-N 361.485 5.437 0 40 FKAB O=C1Nc2ccccc2[C@]12C=C(c1ccc(F)cc1)Nc1ccccc1S2 101493986 MJBXTKRSIBYLFE-JOCHJYFZSA-N 374.440 5.232 0 40 FKAB OC1=C2C(=Nc3ncnn3[C@H]2/C=C/c2ccccc2)C[C@@H](c2cccs2)C1 102607319 FEOUZZUXPUQAHF-HMOMSXHPSA-N 374.469 5.070 0 40 FKAB CCCSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 197113176 NULYWIWRCMHYKP-UHFFFAOYSA-N 362.907 5.704 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219331543 YTLGJGOVZFPYSA-FGZHOGPDSA-N 353.506 5.345 0 40 FKAB O=C(c1ccc(C(F)(F)F)cc1)N1CCS[C@@H](c2cccs2)CC1 219482464 QJNOYFQAOMORLV-OAHLLOKOSA-N 371.449 5.087 0 40 FKAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc(Cl)cc1F 222637400 GSHIXYLQVIMCKQ-SFHVURJKSA-N 373.855 5.436 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cc2cc3ccccc3nc2s1 223129244 AKOYPJLGNBJDJD-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225511911 MNWWDPRIANYCEW-UHFFFAOYSA-N 351.490 5.624 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 225558217 OWTYPACEGOAPNA-UHFFFAOYSA-N 367.489 5.325 0 40 FKAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c2ccccc12 225833667 TUXPYUPUONHPCB-KSFYIVLOSA-N 355.478 5.162 0 40 FKAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccc(Cl)cc3)ccc2c1 408834300 VQDAYZZCSTZFNR-UHFFFAOYSA-N 351.833 5.403 0 40 FKAB Cc1sc(NC(=O)c2ccccc2-c2ccccc2)nc1-c1ccccc1 409053257 NSFXLBSLIDTICJ-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB c1ccc([C@@H]2COC([C@@H]3CCCC[C@H]3C3=N[C@H](c4ccccc4)CO3)=N2)cc1 1988188071 QDIWAJDLECILSV-CZYKHXBRSA-N 374.484 5.133 0 40 FKAB Cc1cc2cc(C)c(SCC(=O)Nc3ccccc3C)nc2cc1C 902910 DPPSWWNXPGKHOA-UHFFFAOYSA-N 350.487 5.199 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1nc2c(ccc3ccccc32)s1 946511 QDKDVSSMYPRIPI-UHFFFAOYSA-N 368.461 5.784 0 40 FKAB CCc1cccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)c1 2438685 YWJWEIQRRHIUKG-UHFFFAOYSA-N 372.424 5.366 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)OC1c2ccccc2-c2ccccc21 2634450 SJKUTVKZZKMLIM-UHFFFAOYSA-N 369.247 5.849 0 40 FKAB Cc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1F 2691308 MRTMPCPRQZMLBC-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB CC(C)c1ccc(OCc2ccc(C(=O)NC3CCCCC3)cc2)cc1 2750459 NGACDZRHLMEXEZ-UHFFFAOYSA-N 351.490 5.452 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C1C(C)(C)C1(C)C 2754098 CCHFISGTNQNUOD-UHFFFAOYSA-N 371.502 5.213 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 3044473 USLSDAAEICRMJD-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 3216538 PIJIYPZAMRCJFV-UHFFFAOYSA-N 367.489 5.211 0 40 FKAB Cc1ccc(C(=O)c2ccccc2C(=O)OC/C=C/c2ccccc2)cc1C 3331186 WKRZNKOKHXDNOL-DHZHZOJOSA-N 370.448 5.405 0 40 FKAB Cc1cccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655350 LKRKKTAEOOTSAQ-UHFFFAOYSA-N 355.393 5.225 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H]1C[C@@H](c2ccccc2)CCC1=O 3851763 CBLGISWYJDCLIC-GCPWLZLNSA-N 371.521 5.079 0 40 FKAB C[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 3998017 XXNRZZXPXAFYRJ-JNSABCDYSA-N 357.497 5.328 0 40 FKAB Cc1ccc(-c2cnc(NCc3cccc(Br)c3)n2C)cc1C 4678853 LTFLLNLMTQHRAX-UHFFFAOYSA-N 370.294 5.079 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(C)c(C)c1 4859417 RHUGQXSXQYNXQB-UHFFFAOYSA-N 366.486 5.821 0 40 FKAB O=C(C1=C[C@@H]2Cc3ccccc3[C@H]2C=C1)c1cccc(Br)c1 5875447 PTTZZBPFQKBWPC-LPHOPBHVSA-N 351.243 5.084 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(N(C)C)c3)n2)cc1C 6248194 ORXKMKWFZORVEI-UHFFFAOYSA-N 365.502 5.054 0 40 FKAB COc1cc2c(cc1NC(=O)CCCc1cccs1)oc1ccccc12 6394176 YWCBOGRFXAMMCJ-UHFFFAOYSA-N 365.454 5.618 0 40 FKAB O=C1/C(=C/c2ccccc2OCCOc2ccccc2)Sc2ccccc21 6496002 DUQFALBAPPUWSY-JWGURIENSA-N 374.461 5.474 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1Cl 10386279 NEESKUXCIVCPIH-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 10475486 KAENQMINALEPSA-UHFFFAOYSA-N 366.273 5.079 0 40 FKAB CCN(C(=O)c1cccc(Cl)c1)c1nc2cc(Cl)ccc2s1 12814191 MMSOPFXPAFXZNC-UHFFFAOYSA-N 351.258 5.270 0 40 FKAB CSc1cccc(NC(=O)c2ccc(CSc3ccccc3)o2)c1 12932758 LEDPIODXLVXWGJ-UHFFFAOYSA-N 355.484 5.546 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 14411867 BQYVOACHVULSTK-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl 15587602 VFQWNSHBYWTVMM-FNORWQNLSA-N 371.607 5.207 0 40 FKAB CC[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(C)cc1 30757439 MQGQMUREWKXVGD-WLUIYZDRSA-N 355.481 5.803 0 40 FKAB Cc1cccc(Nc2c(-c3cccc(O)c3)nc3ccc(Cl)cn23)c1C 35616283 LKRRHDFXOZHJDW-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB CCOC(=O)c1ccc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc1 40175523 SAYFTTXMJPBKOF-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB c1ccc(C[C@H](c2ccccc2)[C@H](Cc2ccccc2)c2ccccc2)cc1 51139512 AOEDHVIDHZGXAP-VSGBNLITSA-N 362.516 7.039 0 40 FKAB C[C@@H](CC(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1 58161574 KFWPKKMSWCBNTJ-OYHNWAKOSA-N 367.395 5.186 0 40 FKAB Cc1ccc2c(c1Cc1ccccc1)CC[C@@H]1[C@H]2CC[C@H]2CCCC[C@@]21C 68562529 CJZNZDGODWVLOM-LWKGULTFSA-N 358.569 7.222 0 40 FKAB CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215622 LTEPVPYTYBMSFX-IBGZPJMESA-N 373.541 5.311 0 40 FKAB Cc1ccc(-c2cc(-c3cccc(Br)c3)nc3ccccc23)cc1 97105911 AJTCGFWUAXDDDZ-UHFFFAOYSA-N 374.281 6.640 0 40 FKAB CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 219301152 XZRLFHLEJWKWCT-IBGZPJMESA-N 367.533 5.450 0 40 FKAB Cc1cccc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 222752115 BOUZUBBSGNVJMU-UHFFFAOYSA-N 363.482 5.305 0 40 FKAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 223427319 AYZKBFLXJSLQJX-BFWROUECSA-N 365.517 5.568 0 40 FKAB CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225407810 PZFNEAONMMMQHZ-MRXNPFEDSA-N 370.562 5.819 0 40 FKAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(C)c1 225828533 JWPIARPRCKQQBD-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225897239 RMYJARGJRMEKMR-QFIPXVFZSA-N 372.509 5.194 0 40 FKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1 227148101 TXVHKOVDRIGVOD-RMKNXTFCSA-N 373.239 5.488 0 40 FKAB CC(C)CN1C(=O)N(c2ccccc2F)[C@@H]2[C@H](c3cccc(F)c3)CC[C@@H]21 257316028 VDVDLTKVSNUWSI-DZFGPLHGSA-N 370.443 5.178 0 40 FKAB OC1=NC(=S)S/C1=C/c1ccccc1OCc1ccccc1Cl 993800 FYWIHYQFZODDPS-OQLLNIDSSA-N 361.875 5.248 0 40 FKAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc2ccccc2c1 1247431 OWVCGUOBYQRXGF-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 1401514 QZVDRQVKGCHPEP-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB CCCSc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 2221589 MOWXRBPQMUTPIP-INIZCTEOSA-N 354.566 5.157 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc12 2525919 HBJCKISZAXQGQV-UHFFFAOYSA-N 359.812 5.920 0 40 FKAB CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1 2557598 NQSARVNJHXHVHS-UHFFFAOYSA-N 364.512 6.480 0 40 FKAB COc1ccc(-c2c(-c3ccccc3)c3cc(Cl)ccc3oc2=O)cc1 2576859 FMQHLIVNQSVFCR-UHFFFAOYSA-N 362.812 5.789 0 40 FKAB biogenic Cc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(C)c4)cc2-3)cc1 2687740 RDRACNKZKGYVOK-UHFFFAOYSA-N 363.464 5.868 0 40 FKAB c1ccc(CCn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 2695672 HNRORBFVWNZXMQ-UHFFFAOYSA-N 362.476 6.023 0 40 FKAB COc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)cc1 2713356 HAYXKMPNFDMDCR-UHFFFAOYSA-N 364.448 5.913 0 40 FKAB S=c1nc(-c2ccccc2)n(Cc2nc3ccccc3[nH]2)c2c1CCCC2 3265472 TZQFTNHWNYCSOJ-UHFFFAOYSA-N 372.497 5.083 0 40 FKAB CCOC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 3442224 RYOZKUJJNYBGLB-UHFFFAOYSA-N 352.253 5.169 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)cs2)cc1 4828520 SLNICCVLLMABMW-UHFFFAOYSA-N 355.444 5.054 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1C 4970089 VKEZKNAKQPIHBU-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB Cc1cc(NC(=O)c2cccs2)cc(-c2nc3ccccc3s2)c1O 4988489 BMZDUGYEZFEREA-UHFFFAOYSA-N 366.467 5.291 0 40 FKAB CCC(=O)c1ccc(OCC(=O)OCc2ccc(-c3ccccc3)cc2)cc1 6029427 QNIWRCDAGDJSJU-UHFFFAOYSA-N 374.436 5.069 0 40 FKAB Cc1ccc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1C 6216367 AEGGPPUNRJLAJN-UHFFFAOYSA-N 350.487 5.225 0 40 FKAB CCN1C(=O)S/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)C1=O 6654816 TUNZHUOLTPWXAX-JYRVWZFOSA-N 368.241 5.310 0 40 FKAB Clc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)c(Cl)c1 7538864 FBGRPAFMTUAQJZ-UHFFFAOYSA-N 366.675 6.197 0 40 FKAB Cc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 7699449 RZVLMAUFWRGCIC-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1C 8913794 NHLCCUHCEFQXSA-UHFFFAOYSA-N 372.881 5.043 0 40 FKAB Clc1ccccc1-c1nnc([C@@H](NC2CCCCC2)c2ccccc2)o1 9683262 OGNZRSUSBJUPCX-IBGZPJMESA-N 367.880 5.402 0 40 FKAB COc1ccc(-c2coc3cc(Nc4cc(C)cc(C)c4)ccc3c2=O)cc1 11865090 FMNRSCQRLFRYKE-UHFFFAOYSA-N 371.436 5.829 0 40 FKAB biogenic CCCCCn1c(SCc2ccc(F)cc2)nc2ccsc2c1=O 67259667 YKWCRHUQAUHDHF-UHFFFAOYSA-N 362.495 5.080 0 40 FKAB CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215448 SFOYRWJIGJJCLR-IBGZPJMESA-N 373.541 5.313 0 40 FKAB CCOc1cc(CO)c(Cl)cc1OCc1c(Cl)cccc1Cl 95095061 HUIVNNRCUORDIG-UHFFFAOYSA-N 361.652 5.117 0 40 FKAB CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96037338 ZGKITCHQGVZRGB-UHFFFAOYSA-N 373.500 5.376 0 40 FKAB Oc1cc(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2c1 107530880 XWUVPIVDGAZCNB-QZQOTICOSA-N 351.620 6.921 0 40 FKAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 170201555 SYVIIFJLIATZPA-UHFFFAOYSA-N 373.496 5.383 0 40 FKAB CC(C)c1ccc(CCCNC(=O)CCc2cccc3ccccc23)cc1 222680758 VLRKIHMWLAVPOO-UHFFFAOYSA-N 359.513 5.645 0 40 FKAB O=C(CSCc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 222698141 GAQQBVVKFZKZNR-UHFFFAOYSA-N 367.445 5.490 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223151812 YZEZLLUCRIWVIW-ZIAGYGMSSA-N 359.922 5.187 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C 225365511 SXTQYLMSWVNGMQ-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)c1 225376627 MMUSCYBJUVCGAV-CQSZACIVSA-N 350.289 5.420 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)c(C)c1 225677008 UEPTXPMRUOIDLD-SFHVURJKSA-N 354.519 5.201 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(Cl)c1 225677164 KIHTZEXXLOHSKC-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB Cc1ccc(C)c(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 225737128 CLQXTRSLMOHMKR-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB CCOc1ccc(NC(=O)CCC(=O)c2ccc3cc(C)ccc3c2)cc1 408826330 LHBVNIOOIFHZPJ-UHFFFAOYSA-N 361.441 5.149 0 40 FKAB CC(C)Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408985908 BKBXOLWPZNJWGV-UHFFFAOYSA-N 354.475 5.120 0 40 FKAB CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 408996574 IWRDQMLCJBKRJE-JOCHJYFZSA-N 356.469 5.755 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 1775975286 GNYBOVGEGSJLCP-PWSUYJOCSA-N 366.260 5.531 0 40 FKAB Cc1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1Cl 955787 GABVZTXOPOBVQG-ZROIWOOFSA-N 350.643 5.023 0 40 FKAB Cc1cccc(-c2nnc(S)n2-c2ccc(Oc3ccccc3)cc2)c1 1442617 QWTWYKMAWXXXJQ-UHFFFAOYSA-N 359.454 5.324 0 40 FKAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(C)ccc3n2)cc1 2223635 CMKVDFYYROPTNA-UHFFFAOYSA-N 374.484 5.235 0 40 FKAB Cc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)c1 2425918 JOOOLZFJIMDPML-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 3422891 UMFXFFXEZJGCBW-UHFFFAOYSA-N 353.425 5.100 0 40 FKAB aggregator O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1ccc(Cl)cc1 4110163 RTCYGBDFNBHVLG-INIZCTEOSA-N 371.811 5.133 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 5034761 BGGXANKRIFINEQ-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB Cc1ccc(Cl)c(NC(=O)CNc2cccc3ccccc23)c1Cl 5687588 AWCHCDCEXBABKK-UHFFFAOYSA-N 359.256 5.506 0 40 FKAB Cc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1Br 7504706 YQEFFOQXZFNCQW-UHFFFAOYSA-N 373.294 5.000 0 40 FKAB CCOc1c(Cl)cc(Cl)cc1CNC1C2CC3CC(C2)CC1C3 8253408 FUFOXKSZJZYVIL-UHFFFAOYSA-N 354.321 5.306 0 40 FKAB CC[C@@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(Cl)cc1 12811986 RHVZOMMFGYWNOV-GOSISDBHSA-N 368.864 5.113 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)[C@@H](C)c2ccccc2)n1 19690616 SMQKDHDRJLXLQD-CYFREDJKSA-N 370.496 5.524 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 20412085 YJBRKLKDNIOWBC-UHFFFAOYSA-N 351.446 5.045 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(F)(F)F)c1 20456784 QQNFAVLUDPBVSC-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 20459792 JHCFNMOBLWDDLC-GJZGRUSLSA-N 359.897 5.282 0 40 FKAB Cc1c(Cl)cccc1Nc1nn(-c2ccccc2)c2c1C(=O)CCC2 20671868 QTOMELLFXBQJJD-UHFFFAOYSA-N 351.837 5.097 0 40 FKAB O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccc(OC(F)F)cc1 23162429 XXJSHABVXQDLFF-KRWDZBQOSA-N 372.396 5.121 0 40 FKAB Cc1cc2oc(C(=O)Nc3ccc4ccccc4c3)cc(=O)c2cc1Cl 27756093 CLQKCZZEFXINSK-UHFFFAOYSA-N 363.800 5.160 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1ccccc1F)C1CC1 32863687 MZBILZMVZKLZLS-UHFFFAOYSA-N 368.839 5.141 0 40 FKAB C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127654 PSCCKLIQZPSRPP-CQSZACIVSA-N 368.864 5.092 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Cl)c(Cl)c1 59345946 APMNPJIURREJKD-LBPRGKRZSA-N 366.313 5.204 0 40 FKAB Clc1c(CNCc2ccc(Cn3cccn3)cc2)sc2ccccc12 95946579 XFKLEORSBJVIAM-UHFFFAOYSA-N 367.905 5.089 0 40 FKAB CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N/c1ccccc1 100062726 UKKJPARGLNBOCA-WCWDXBQESA-N 356.494 6.136 0 40 FKAB Cc1ccc(C)c(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 111871367 VCXVVXMJTJQUNP-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 199719754 YHOQROINLXSWAB-UHFFFAOYSA-N 352.356 5.482 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 219541245 WBIYTVIIQASBKH-ROUUACIJSA-N 353.506 5.246 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1 223004459 KLAOJRYWDOPUEC-HSZRJFAPSA-N 367.533 5.333 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1C 223440952 SLGCMEOZCJCFJB-LJQANCHMSA-N 350.506 5.093 0 40 FKAB CC(C)C(NC(=S)Nc1ccc(Br)c(Cl)c1)C(C)C 225327386 AKIRCUBZQNQMKU-UHFFFAOYSA-N 363.752 5.070 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C 225337892 WBGCNQAZVIXSJS-IBGZPJMESA-N 364.316 5.810 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(Cl)c(Cl)c1 225339393 SCMKWALWEJAWIP-UHFFFAOYSA-N 356.680 5.238 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)c2cccnc12 225906325 MGVYXGGFUBVDDA-QFIPXVFZSA-N 372.509 5.338 0 40 FKAB COc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 257341428 ZKGIWMKFFDQQRO-RBDMOPTHSA-N 352.474 5.335 0 40 FKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1C 408985289 ANUDJRLWWHTARF-UHFFFAOYSA-N 354.475 5.040 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)c(C)c1 409109589 HUAPTNLMPYNCHK-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)sc1-c1ccccc1 585152205 ANLCXGMZSFNUCB-UHFFFAOYSA-N 364.470 5.188 0 40 FKAB Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1C 1224360 QOFUECJQRMVWTA-UHFFFAOYSA-N 369.873 5.502 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2cccc(C)c2NC3(C)C)cc1C 1794020 XGTYPIICSOYUJL-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB CCCCCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1OC 1799560 IKEAFBGGMQUNJD-DUVHGLKDSA-N 367.489 5.155 0 40 FKAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)Nc1cccc2ccccc12 2257640 SIRXBIWVXQTYLJ-FQEVSTJZSA-N 359.400 5.733 0 40 FKAB C[C@H](Oc1cccc(Oc2ccccc2)c1)C(=O)c1ccc(F)c(F)c1 2726088 OKTTYNHSKAWOQN-AWEZNQCLSA-N 354.352 5.407 0 40 FKAB CCOP(=O)(OCC)[C@](C)(CC(C)C)NC(=O)Nc1ccc(C)cc1 3114450 AUVKHJXTEMEBQE-GOSISDBHSA-N 370.430 5.145 0 40 FKAB O=C(Nc1nc2cc(SC(F)F)ccc2s1)c1ccccc1Cl 3258301 VPSWZGKSWRUSEJ-UHFFFAOYSA-N 370.833 5.517 0 40 FKAB CCOC(=O)c1c(Nc2nc(-c3ccccc3)cs2)sc(C)c1C 3261500 HSQMAUQACOVRRH-UHFFFAOYSA-N 358.488 5.409 0 40 FKAB O=C(NCCCc1ccccc1)/C(=C/c1cccs1)c1cccs1 3264711 RHSJOROJSSTOFQ-OBGWFSINSA-N 353.512 5.099 0 40 FKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(Cl)cc4)c23)cc1 3300213 LKZORIUCBBFCFV-UHFFFAOYSA-N 352.846 6.112 0 40 FKAB COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc1 3896471 VGLPVIDXCYJSPZ-UHFFFAOYSA-N 358.445 5.272 0 40 FKAB O=C1C[C@H](Sc2ccc(C3CCCCC3)cc2)C(=O)N1c1ccccc1 3900345 DFLHBSFDHHIONN-FQEVSTJZSA-N 365.498 5.159 0 40 FKAB C1=C2C3=C(O[C@@H](c4ccccc4)[C@H]2CCC1)/C(=C/c1ccccc1)CCC3 4024418 GTCWXHKGVTZFCQ-QASYLBDNSA-N 354.493 7.006 0 40 FKAB biogenic CC(C)Cc1ccc([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 4619151 OBPWGIIZXFSGSR-FQEVSTJZSA-N 371.524 5.894 0 40 FKAB COc1cc2nc(N(c3ccccc3)c3ccccc3)cc(N)c2cc1OC 4623508 IVPWVPXLGBLELC-UHFFFAOYSA-N 371.440 5.304 0 40 FKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)C3CC3)cc2c1 4861273 VCOGCVRELKSYFZ-UHFFFAOYSA-N 368.864 5.037 0 40 FKAB Cc1ccc2cc(NC(=O)c3ncoc3-c3ccccc3Cl)ccc2n1 4932776 IXULDDMVJFQXEH-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB COc1ccc(NC(=O)[C@H](Nc2ccccc2)c2ccccc2)cc1Cl 5934304 PDAKYQSMFOHXOM-HXUWFJFHSA-N 366.848 5.141 0 40 FKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1cccc(C)c1 7521430 ZOCNZSGNTFICHK-UHFFFAOYSA-N 369.549 5.887 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1cccc(Br)c1 8041596 VKOPVLKUZNMSIL-UHFFFAOYSA-N 350.281 5.202 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccc(Cl)cc1 8471477 UXFGKDRGZVRBGQ-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB O=C(CCc1cccs1)Nc1ncc(Cc2cccc(Cl)c2)s1 12016542 KULGDYYQPVAMEG-UHFFFAOYSA-N 362.907 5.020 0 40 FKAB CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 13408361 MJCAQBZKCWIVPS-LNJFAXJLSA-N 374.565 5.353 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13670414 GMBFTBUIOAMRTF-IAGOWNOFSA-N 355.547 5.483 0 40 FKAB CCCCn1nc(NC(=O)c2cccc(C)c2)c2cc3cccc(C)c3nc21 17206242 NPFIHRCDRXDMFB-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 20459082 GEFKRJVSHCVRKW-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB Brc1ccc2nc(SCc3cccc4ccccc34)[nH]c2c1 20765230 IGGCCGPQCKXMLL-UHFFFAOYSA-N 369.287 5.771 0 40 FKAB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)c1ccccn1 28291371 PYCFNNFNSNOMSO-UHFFFAOYSA-N 357.240 5.235 0 40 FKAB FC(F)(F)c1nc(SCc2cccc3ccccc23)nc2c1CCC2 33663304 DOMIZKXJIDVVPH-UHFFFAOYSA-N 360.404 5.430 0 40 FKAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1Cl 58132468 ZPKUMLXHADZGFE-QFIPXVFZSA-N 367.219 5.461 0 40 FKAB NC(=O)[C@H](Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 95364983 LWQSQBCZZFCLIE-LJQANCHMSA-N 371.267 5.299 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CN(C)C(=O)c5ccccc5)(C4)C2)C3)cc1 101132816 ALCLDLXLAWVOCS-QJMPUOCTSA-N 373.540 5.605 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccccc2F)cc1Cl 106972286 VFQNRKMIEDQBQZ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219335605 HVLBVXHTHOOLAI-QHCPKHFHSA-N 367.533 5.333 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 224867579 KTWNPRDMMIRGID-FQEVSTJZSA-N 365.517 5.797 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882260 SWSLZNISJYMAOH-OAHLLOKOSA-N 373.758 5.035 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 224966421 KMRGGKHUHXVMEA-LJQANCHMSA-N 372.896 5.126 0 40 FKAB Cc1ccc(SCCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225323256 MXVYHIYNKNWRIX-UHFFFAOYSA-N 368.329 5.143 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F 225324770 HRBZXWJHUDUUBU-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 225652509 TYDVAIZAHPNGLG-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB CCOc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225658683 HDTVRBXZBKEPLR-MRXNPFEDSA-N 356.535 5.128 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225690271 HHJHFIKCGZMCOZ-QHCPKHFHSA-N 369.505 5.354 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c3ccccc23)CCC(C)CC1 225857205 YSHNCZHBDLGZDP-UHFFFAOYSA-N 369.505 5.553 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1C 225908328 RKBHIGLPHFCFAC-NRFANRHFSA-N 364.530 5.273 0 40 FKAB CCCCc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225918497 NUJQHJOKYOQMJM-UHFFFAOYSA-N 374.488 5.432 0 40 FKAB CC(C)c1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)cc1 226333218 OFLWCQNVMZPNAV-DQHPBMIUSA-N 361.485 5.805 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(N)c1 226348314 PNNQRYSEOPSQGT-UHFFFAOYSA-N 354.837 5.360 0 40 FKAB Cc1ccc(C(C)C)c2c1[C@@H]1O[C@H](C(C)C)[C@@H](C(=O)O)C[C@H]1C(C)(C)O2 257212340 CCYBXVXFWAUZKD-IXIUHKBRSA-N 360.494 5.092 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3cc(-c4ccccc4C(=O)O)ccc3O2)c1 257279901 OIQBBVBVSBXDEG-RUZDIDTESA-N 372.464 5.687 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 408629004 HIUXUOPJQBKMRK-SFHVURJKSA-N 374.484 5.236 0 40 FKAB O=C(NCc1ccc(-c2cccs2)o1)Nc1ccccc1C(F)(F)F 575607977 GOVGPFLOOPVTQZ-UHFFFAOYSA-N 366.364 5.349 0 40 FKAB O=C(OCCN1CCCC12CCCCC2)[C@H](c1ccccc1)C1CCCC1 1648495 DKVGJXPJIJUMMN-JOCHJYFZSA-N 369.549 5.302 0 40 FKAB Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1 2924965 HFPKEPXQFSZYLW-UHFFFAOYSA-N 374.465 5.167 0 40 FKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cccc(Cl)c1 3120615 GDRUGQXXCSHOSV-VXKWHMMOSA-N 364.828 5.242 0 40 FKAB Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2C(C)C)CC1=O 4033258 JJOXTAORTUBSPQ-HNNXBMFYSA-N 367.880 5.100 0 40 FKAB Cc1ccc(-n2c(-c3ccc(F)cc3)nc(=S)c3c2CCCC3)cc1 4058980 ICLSXAOKPWLALG-UHFFFAOYSA-N 350.462 5.595 0 40 FKAB Clc1ccc(CSc2nc3cc(Cl)c4cccnc4c3o2)cc1 4091233 DGIBHCIFFRVGMI-UHFFFAOYSA-N 361.253 5.975 0 40 FKAB CCOc1ccccc1C(=O)Nc1cc2oc3ccccc3c2cc1OC 4539358 NVPCRPDLBBIEHT-UHFFFAOYSA-N 361.397 5.246 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 5418228 BLQQANOVYWBZAO-BWAGFHJFSA-N 360.538 6.263 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)Cc2cccs2)cc1 6583043 ALGYXBSBYAWQFG-UHFFFAOYSA-N 353.443 5.120 0 40 FKAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1cc2ccccc2o1 7613728 ZTFQIEJUGDMVCE-UHFFFAOYSA-N 364.451 5.414 0 40 FKAB COc1ccc(SCCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 10218031 BSZCRPHRWIQECU-UHFFFAOYSA-N 370.301 5.513 0 40 FKAB C[C@@H](NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 12630190 IHKKDXJCMRYZNU-LJQANCHMSA-N 372.468 5.009 0 40 FKAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 13616545 YXKDJWQNNHHRJR-YLJYHZDGSA-N 366.873 5.644 0 40 FKAB Fc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2F)cc1 16450016 QKHFQUVOPFNPLA-UHFFFAOYSA-N 373.830 5.487 0 40 FKAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Cl)cc1 18192523 HJYCDDRYBMJPEG-UHFFFAOYSA-N 357.866 5.063 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 20491746 DDCFWHZJOZIRBD-FQEVSTJZSA-N 373.496 5.285 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc(Cl)ccc1Cl 21577804 CTEUNDLQBLJEPW-UHFFFAOYSA-N 367.251 5.375 0 40 FKAB CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CCc2ccccc21 32905294 LGKXRHOBYXSCHQ-XMMPIXPASA-N 355.481 5.355 0 40 FKAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 32976242 LFSFEMDIYXQSSN-CYBMUJFWSA-N 372.877 5.178 0 40 FKAB COc1ccc(CCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 58679351 JVXVBQLDRIDEOC-ZDUSSCGKSA-N 366.288 5.154 0 40 FKAB Fc1cc(F)cc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 71761101 PIXSLTRNTYHWFK-UHFFFAOYSA-N 366.742 5.446 0 40 FKAB CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215621 LTEPVPYTYBMSFX-LJQANCHMSA-N 373.541 5.311 0 40 FKAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1ccc(F)c(F)c1 89558862 FCCCAWQNVSTOTR-CYBMUJFWSA-N 366.477 5.005 0 40 FKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1 107618565 VPERJLVVTOPIEI-UHFFFAOYSA-N 364.444 6.300 0 40 FKAB Cc1cc(C)cc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 113933067 KBYMTKHKXYSQDN-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](C1CCCCC1)C2=O 118927117 UJSMXKNMJUHGOA-APGKHBHUSA-N 370.577 5.686 0 40 FKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)n1 170583863 NPWFMXJPZOITEH-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219379388 VGQMDLFSXIQZQJ-RTWAWAEBSA-N 353.506 5.345 0 40 FKAB O=C(Cc1cccc(Cl)c1)Nc1ccc(CSc2ccccc2)cc1 222732332 AGDVOQQYJWKBAC-UHFFFAOYSA-N 367.901 5.814 0 40 FKAB O=C(CCc1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 223057892 SBPSPQQSVFUZIE-UHFFFAOYSA-N 369.823 5.843 0 40 FKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C 224096311 QLOSGWFNBMIWHN-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225085390 CLNKYIRGUWNYTK-KRWDZBQOSA-N 367.272 5.366 0 40 FKAB Cc1ccc(C2(NC(=S)Nc3ccc(C(C)C)cc3)CCCC2)cc1 225843452 OTTATUJBPAUERH-UHFFFAOYSA-N 352.547 5.874 0 40 FKAB CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1 225934982 WJTZDYREEBZJQX-UHFFFAOYSA-N 359.469 5.420 0 40 FKAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257348796 IYZAKBWNGQBORB-IDRWKQSCSA-N 360.538 5.168 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 408546988 IBXOSMVZJVFOOQ-UHFFFAOYSA-N 351.446 5.679 0 40 FKAB Cc1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 408826238 IXSBLYWTFXYGQV-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)c1 408993930 DUAISZKRIPTSND-ZDXQCDESSA-N 369.464 5.473 0 40 FKAB O=C(C[C@H](SCc1ccco1)c1cccs1)c1ccc(Cl)cc1 703514 CWKHSMGWBXNSLJ-SFHVURJKSA-N 362.903 6.242 0 40 FKAB CCOc1ccccc1OCC(=O)Oc1ccc(-c2ccc(C)cc2)cc1 956513 SZUAGBMNMZUQJV-UHFFFAOYSA-N 362.425 5.045 0 40 FKAB O=c1oc2ccccc2c(-c2ccccc2)c1-c1ccc(Cl)cc1Cl 2529946 VDYVENFAJIUXMK-UHFFFAOYSA-N 367.231 6.434 0 40 FKAB biogenic Cc1cccc(Oc2ccc(NC(=O)C(Cl)=C(Cl)Cl)cn2)c1C 2567073 LERXQNBRFYITGC-UHFFFAOYSA-N 371.651 5.315 0 40 FKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)n1 3236340 XYBQWLWKOWIMRX-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1CCCc2ccccc21 3339377 QBGWMBAKXRLDDX-MRXNPFEDSA-N 366.313 5.279 0 40 FKAB aggregator O=C(/C=C/c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1 3898672 YBDKBYMSGKTOBP-BUHFOSPRSA-N 356.450 5.615 0 40 FKAB COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1 3902012 ATOYXQCBMJKCES-CYBMUJFWSA-N 358.869 5.673 0 40 FKAB COc1cccc(-c2nc(Nc3ccccc3C)c3ccccc3n2)c1O 5100876 VGGZFNYSVRKYPO-UHFFFAOYSA-N 357.413 5.063 0 40 FKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc(Cl)s1 5657459 NKNRXOTZKQXNHZ-UHFFFAOYSA-N 371.845 5.185 0 40 FKAB CCN(c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1)C(C)C 6123693 ZSXMJSGGIKUXMW-UHFFFAOYSA-N 350.384 5.192 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)/C(=C/c1ccccc1)c1ccccc1 6794622 SNRWTPCAIXZURG-UNJZAIIMSA-N 355.481 5.365 0 40 FKAB CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 8227267 JHIJEVACVWOFJX-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB CC[C@@H](C)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 8325956 MAPHDJSFMOERHJ-CYBMUJFWSA-N 368.304 5.469 0 40 FKAB Cc1ccccc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1 8854024 UEBDSKIWJDSWLH-UHFFFAOYSA-N 372.490 5.064 0 40 FKAB CCCCCCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2cc1O 11867608 KXSRNGWRFUJMGE-UHFFFAOYSA-N 362.429 5.165 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2OCc1ccccc1 13408766 PFVCATKPVAAICJ-JXFGHYCFSA-N 366.589 7.005 0 40 FKAB biogenic O=Cc1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12 14015694 KPOYFZFBFHVXBQ-UHFFFAOYSA-N 366.825 5.740 0 40 FKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(C)c(C)c2)on1 14117143 YPYHPQOZDSTPFE-UHFFFAOYSA-N 352.459 5.144 0 40 FKAB O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)c1ccccc1 16476594 FOFPAQNSHKXRCY-UHFFFAOYSA-N 366.511 5.059 0 40 FKAB CCN(C(=O)c1sc2nc(-c3ccccc3)cn2c1C)c1ccccc1 16740390 OLDHOOAFAXJOJW-UHFFFAOYSA-N 361.470 5.038 0 40 FKAB COc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(OC)cc3)c2C)cc1 17075912 MWWFUCSZXXQSMJ-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB C[C@@H]1C[C@]2(c3ccccc3)[C@@H](c3ccccc3)C(=O)N2c2ccccc2S1 17154343 GCODYFLTABRQQV-UWSIMGETSA-N 371.505 5.597 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 20105108 DTRSFYDGWCQNLS-MOPGFXCFSA-N 361.938 5.787 0 40 FKAB C[C@H]1CN(C(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)C[C@H](C)O1 28629227 SWAITQLCDNGXRS-RYUDHWBXSA-N 365.926 5.102 0 40 FKAB CCOC1=CC(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)=CCC1 32119703 YZXLRFQLURSVAD-UHFFFAOYSA-N 374.528 5.597 0 40 FKAB CCN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)C1CCCC1 58366155 PBVFBBBBOPLJCI-UHFFFAOYSA-N 364.464 5.233 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351678 JYCHOMQKRFBVJI-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 67190081 OBWDYRQYXVRPDU-IZHYLOQSSA-N 368.436 5.534 0 40 FKAB Cc1nnc(-c2ccccc2NC(=O)c2cc3c(s2)CCCCCC3)o1 78913085 WXQDIKRZHPXOFY-UHFFFAOYSA-N 367.474 5.018 0 40 FKAB CC(C)C[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)N1CCCC1 89821013 AMHPTDCNSVGQRW-OAHLLOKOSA-N 365.443 5.176 0 40 FKAB Clc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 107030873 TUJGGLBFHRVDAG-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 118927573 OZFUSVFBHIPUTK-ZXKBGTPZSA-N 370.577 6.177 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219370062 SYGKWKLBZPRMGJ-RTWAWAEBSA-N 353.506 5.345 0 40 FKAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 224717926 YBUCZZCQSHUHPQ-UHFFFAOYSA-N 371.889 5.222 0 40 FKAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Oc1cccc2ccccc12 225083622 MBPDBPDRGUSNOZ-KRWDZBQOSA-N 361.224 5.221 0 40 FKAB COc1ccc(C2(NC(=S)Nc3ccc(C)c(C)c3)CCCC2)cc1 225843065 DBOKCQPZHHGSDE-UHFFFAOYSA-N 354.519 5.068 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c2ccccc12 225859053 UZJGXMJWIMISNL-HSZRJFAPSA-N 369.505 5.553 0 40 FKAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 226321842 MSUQXJPTKGSGLZ-UHFFFAOYSA-N 359.636 5.403 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc2ccccc2o1 408606711 LPZOZAGYORZQBX-UHFFFAOYSA-N 363.800 6.131 0 40 FKAB Cc1cccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 409006734 LAHFRFJUMUKUGG-UHFFFAOYSA-N 366.486 5.128 0 40 FKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(F)cc1 409113421 FXQJUPORVSVVHQ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc(F)c2)cc1 409113876 JGMULWQTAHHUAA-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2o1 578252 IDOAYRMZCOCFKB-UHFFFAOYSA-N 368.502 5.805 0 40 FKAB Cc1nc(Sc2c[nH]c3ccccc23)c2c3c(sc2n1)CCCC3 641107 ZJTIWLGTVNCRHC-UHFFFAOYSA-N 351.500 5.511 0 40 FKAB CC(=O)Nc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 863033 MAENWULXBPZPJR-UHFFFAOYSA-N 358.850 5.074 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1 888358 HFIKVNDGZYYYJF-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB c1ccc(Cn2c(COc3cccc4ccccc34)nc3ccccc32)cc1 1072874 MSCXERNKUWZHJO-UHFFFAOYSA-N 364.448 5.817 0 40 FKAB Cc1cc(O)c(C(C)(C)C)cc1S(=O)c1cc(C(C)(C)C)c(O)cc1C 1086610 UZGWOIVYFUKNDE-UHFFFAOYSA-N 374.546 5.476 0 40 FKAB c1ccc(SCCC(Sc2ccccc2)Sc2ccccc2)cc1 1561040 MWYXTMRUSSQKQK-UHFFFAOYSA-N 368.592 7.080 0 40 FKAB CCOc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 1814868 WZDHYSLKKSPQRT-UHFFFAOYSA-N 372.420 5.438 0 40 FKAB biogenic CCCCSc1nc2ccc(NC(=S)Nc3ccccc3)cc2s1 1870033 IMAKXUJZKOLZFW-UHFFFAOYSA-N 373.572 5.997 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2061886 DWDNZUGPDBKBGQ-CYBMUJFWSA-N 350.289 5.934 0 40 FKAB Clc1ccc(COn2c(-c3ccccc3)nc3ccccc32)c(Cl)c1 3052819 SLLUKATVFWRBJP-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)c(F)c(F)c1F 3166623 RZRYFCSOVYOPGH-UHFFFAOYSA-N 361.294 5.288 0 40 FKAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1Cc1ccccc1 3370878 RDUVUSRGHUPKTR-UHFFFAOYSA-N 372.493 5.458 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ncccc3C)c3ccccc3n2)s1 4045925 XMBFJJLPHJTIIE-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB Cc1ccc(NC(=S)N(CCc2ccccc2)Cc2ccccc2)cc1 4081789 AINLUVNMAGKVHK-UHFFFAOYSA-N 360.526 5.437 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(Cl)c1 4109786 ZFCJYXLFLJTFEV-UHFFFAOYSA-N 368.786 5.211 0 40 FKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1 4969922 QOESKTWJOXYCEM-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3c2c1 4970001 GBTPKROCGZYVIM-UHFFFAOYSA-N 363.464 6.112 0 40 FKAB CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(Cl)cc1 5452134 RWNNUROMYMYCHN-UHFFFAOYSA-N 355.821 5.160 0 40 FKAB CC[C@H](C)c1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1 6518654 CPHHXVCQPGCVPA-BZSISCHUSA-N 356.579 5.703 0 40 FKAB c1ccc(Cn2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 6531944 ILBPTCKUDQUOIE-UHFFFAOYSA-N 371.509 5.649 0 40 FKAB CCOc1ccccc1C(=O)Nc1ccccc1Nc1ccc(OC)cc1 6650452 LSSVDENNIJSRES-UHFFFAOYSA-N 362.429 5.090 0 40 FKAB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)ccc1OC 6960384 JOHCFJSTUZPIHW-HMMYKYKNSA-N 371.436 5.313 0 40 FKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N(C)C)ncnc32)cc1Cl 8412975 UFEFQDKROFAVAP-UHFFFAOYSA-N 362.864 5.115 0 40 FKAB CC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Cl)cc1 10423587 FYOUUYFPJLABLB-HNNXBMFYSA-N 371.893 5.048 0 40 FKAB COc1ccc(-c2cs/c(=N\c3ccccc3F)n2C2CCCC2)cc1 15910649 QXGVUYLHLVKALG-LNVKXUELSA-N 368.477 5.712 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)cc1 18132188 HDCGRIDCVCYMAJ-SCLBCKFNSA-N 363.910 5.097 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCCC1 20039504 RORDGGVSJFDZNK-OAQYLSRUSA-N 371.546 5.179 0 40 FKAB Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1C 20196846 BFGYIXSGKQMDPK-UHFFFAOYSA-N 360.482 5.723 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)c(C)c1 20456135 YITHMTSRXRHISR-FQEVSTJZSA-N 357.497 5.580 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 20461073 GLVDHFRXWYLSKS-LBPRGKRZSA-N 351.924 5.571 0 40 FKAB CN(Cc1cccs1)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24527466 FPVTYDNLRVKRRW-OAQYLSRUSA-N 360.482 5.285 0 40 FKAB C[C@@H](NCc1c(-c2ccccc2)nc2ccccn12)c1ccc(Cl)cc1 25046214 YLJQNLYDIFTVFZ-MRXNPFEDSA-N 361.876 5.506 0 40 FKAB C[C@H](NCc1ccc(OCc2ccncc2)cc1)c1cc2ccccc2o1 30545623 UTAYXPJYLROSGN-KRWDZBQOSA-N 358.441 5.258 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(CSCc2ccco2)cc1 32117667 XZZXXDJGHOILPZ-UHFFFAOYSA-N 351.471 5.582 0 40 FKAB CSc1ncccc1C(=O)N(C1CC1)[C@H](C)c1cccc2ccccc12 32832533 AXYWRAMMPFYZIB-OAHLLOKOSA-N 362.498 5.323 0 40 FKAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(Cl)cc2)o1 33795432 OANHJWALKDYPDH-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB Cc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(F)c1 57510650 NRUYWLMZAVLTDL-UHFFFAOYSA-N 370.840 5.159 0 40 FKAB Cc1ccccc1-c1cc(NC(=O)N(C)Cc2c(F)cccc2Cl)on1 58229634 QDBSRSVAZAEDQP-UHFFFAOYSA-N 373.815 5.106 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3Cl)oc2c1 62049564 ZQUKIUMYCRRBRF-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CC(C)=Cc1c(-c2ccccc2)ncn1Cc1nnc(-c2ccccc2)o1 65406004 PIOZVCMNBGOODK-UHFFFAOYSA-N 356.429 5.072 0 40 FKAB c1ccc(-c2cnc(N3CCC(c4c[nH]c5ncccc45)CC3)s2)cc1 95983917 DGOJPRPWACPFKZ-UHFFFAOYSA-N 360.486 5.070 0 40 FKAB Cc1ccc2c(-c3oc4ccccc4c3NC(=O)C3CC3)cc(=O)oc2c1C 100653750 CUEMFIXOADCDSM-UHFFFAOYSA-N 373.408 5.172 0 40 FKAB biogenic C[C@@H](NCC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100745528 RWXOIELWFZDPDK-HUVFLSCGSA-N 365.561 5.791 0 40 FKAB Cc1ccc2oc(C[C@@H]3C(=O)Nc4ccc(Br)cc43)c(C)c2c1 101014458 LCJZHEKPJYJTHK-HNNXBMFYSA-N 370.246 5.091 0 40 FKAB c1ccc(NC(NC2N=NN=N2)=C(c2ccccc2)c2ccccc2)cc1 105628097 SUGHELGIFVYQCZ-UHFFFAOYSA-N 354.417 5.222 0 40 FKAB Fc1cc(Br)ccc1Nc1nc2ccc(Cl)cc2s1 116937376 XNUBHRGDFHGHDT-UHFFFAOYSA-N 357.635 5.595 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 216322516 OTLVBULNWMHVRG-HNNXBMFYSA-N 357.759 5.155 0 40 FKAB Cc1cc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)ccc1Cl 225085576 XFDXGRUZYPSCLK-HNNXBMFYSA-N 359.636 5.030 0 40 FKAB CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 225322183 IDUKCSMUTBDZIY-UHFFFAOYSA-N 365.860 5.258 0 40 FKAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3Cl)oc2c1 226286961 VUAWDCMCBJKYLZ-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB O=C(O)c1cccc(NCc2ccccc2OCc2ccccc2Cl)c1 408609191 MCQQIJIEGUNORF-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc2ccccc2c1 1889250650 HTYGZZSYIHOKLR-UHFFFAOYSA-N 369.486 5.081 0 40 FKAB O=c1oc2ccccc2c(-c2cnn(-c3ccccc3)c2)c1-c1ccccc1 688083 WRKDEEVLXMIVEU-UHFFFAOYSA-N 364.404 5.313 0 40 FKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(F)c1 854730 VCINNRYLWSVIND-UHFFFAOYSA-N 365.191 5.348 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)c1 896240 XLSDOAVUGLNLIO-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3cccs3)nn12 1037315 PQOJHAATGCYINC-UHFFFAOYSA-N 351.378 5.205 0 40 FKAB biogenic Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@H](C)CCC2=O)cc1 1441398 SMCCYOSSZVQHCK-CZAAIQMYSA-N 368.904 6.010 0 40 FKAB CCC(=O)Oc1ccc2c(=S)c(-c3ccc(OC)cc3)c(CC)oc2c1 1615726 QOBLBNZMFPVDCS-UHFFFAOYSA-N 368.454 5.716 0 40 FKAB CCCc1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1787220 FRZDWZDUPPBZJK-UHFFFAOYSA-N 366.288 5.744 0 40 FKAB CCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1OC(C)=O 2090245 QDHACSOVIMHWEF-UHFFFAOYSA-N 362.381 5.084 0 40 FKAB biogenic O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1Cl 3077071 QTUXTBWGOLNDFO-UHFFFAOYSA-N 362.816 5.324 0 40 FKAB O=C(Oc1ccc(Nc2ccc3ccccc3c2)cc1)c1ccc(F)cc1 3216925 TZIDSCKNZANDTR-UHFFFAOYSA-N 357.384 5.942 0 40 FKAB Clc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1 3267905 GARRGAYIDVJKJW-UHFFFAOYSA-N 360.848 5.639 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 3282223 HBHMITKVUSJHEX-UHFFFAOYSA-N 369.873 6.107 0 40 FKAB CCCCC/C=C/C(=O)Nc1ccc(NC(=O)/C=C/CCCCC)cc1 4473826 QAIFFBGIUJKMRW-PHEQNACWSA-N 356.510 5.837 0 40 FKAB CCOc1cccc2c1O[C@@H](CC(C)C)N1N=C(c3ccc(C)cc3)C[C@H]21 5163161 HTHDHZCXTBKIRS-IRLDBZIGSA-N 364.489 5.309 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl 5199320 BJEDKIDPRLMCCW-UHFFFAOYSA-N 373.283 5.017 0 40 FKAB CCCCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 6204262 FHIRTVSPQFYACQ-UHFFFAOYSA-N 365.901 5.694 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccccc3C)ccc21 6226179 CABXBNLMEDGXPS-KRWDZBQOSA-N 372.468 5.529 0 40 FKAB Cc1c(O)ccc2c(=O)c(-c3ccc4ccccc4n3)c(C(F)(F)F)oc12 6369998 VWEZZULPILWJNN-UHFFFAOYSA-N 371.314 5.041 0 40 FKAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)C1CCC1 7037469 XPAYQDGCGLVNGS-UHFFFAOYSA-N 374.815 5.145 0 40 FKAB CSc1nc(C)c(CC(=O)Nc2c(C(C)C)cccc2C(C)C)s1 12740240 VCZXRLQLPNUASG-UHFFFAOYSA-N 362.564 5.601 0 40 FKAB CSc1nc(-c2ccccc2)c(NC(=O)CCc2ccccc2)s1 12890518 NTTYNTZDPYVFME-UHFFFAOYSA-N 354.500 5.103 0 40 FKAB FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3cccc(Cl)c3)cnn12 13517750 KYEMVYUEBFRGRP-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB CCCC(=O)NC1=Nc2ccccc2N=C(CC)[C@H]1c1ccc(F)cc1 14608090 XJMFFFYRDODLAI-HXUWFJFHSA-N 351.425 5.052 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1ncc(Cl)c(Cl)c1Cl 15315619 FEAKXOFXDJDMSF-UHFFFAOYSA-N 355.652 5.173 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2Cl)c2ccccc2)cc1 16243016 MPOVDGUGQFBWDI-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl 21311993 QAPKAAIAILCFIR-NSHDSACASA-N 357.759 5.073 0 40 FKAB Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504028 ANMYJSNMBSBREG-UTTOWIBESA-N 358.872 5.575 0 40 FKAB Cc1ccc(NC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 33040287 WLNHTPKMHWIULY-OAQYLSRUSA-N 369.468 5.430 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccn(-c2ccc(F)cc2)n1 36759969 ALTVIPSCOFAORU-UHFFFAOYSA-N 365.452 5.511 0 40 FKAB CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 44088151 GYJHYDCVAWBVJA-UHFFFAOYSA-N 360.429 5.561 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1ccc2[nH]c3ccccc3c2c1 44781760 ZHLFTYXJZZXGHI-UHFFFAOYSA-N 350.421 5.656 0 40 FKAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1Oc1cccnc1 58417310 CYUDYSHLXFYHSM-UXHICEINSA-N 362.404 5.064 0 40 FKAB Cc1ccc(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)s1 58700859 ASDSEQHPVMBTEI-LBPRGKRZSA-N 353.409 5.441 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1Nc1ccccc1 72214167 AVJHRKUFIDSIME-SFHVURJKSA-N 353.466 5.287 0 40 FKAB CC(C)(C)[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCCC1 79482583 ITIGQOPKJOKMQR-OAHLLOKOSA-N 351.516 5.296 0 40 FKAB O=C(c1ccco1)c1coc2ccc(OCc3c(F)cccc3Cl)cc12 96184108 MCBKQLPSOANELK-UHFFFAOYSA-N 370.763 5.628 0 40 FKAB CC(C)C(=O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509781 IAALNBGRLGMNDP-UHFFFAOYSA-N 366.255 5.026 0 40 FKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100922896 HPZOHGFNBBOZSE-MAURAIGZSA-N 371.571 5.386 0 40 FKAB Clc1c(Cl)c(Cl)c(S[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c(Cl)c1Cl 104205549 VMRNTOXMEGDGLH-OUXCHILYSA-N 374.547 6.700 0 40 FKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@@H]12 118915119 ZULBOIQTAAUGKN-SVPJMPAISA-N 374.565 5.510 0 40 FKAB biogenic Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222904660 VMNLXCGCOSLASW-GOSISDBHSA-N 367.558 5.293 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 223392196 BQHRKGCJJBIDKY-CYBMUJFWSA-N 367.901 5.711 0 40 FKAB CCCOC(C)(C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225728496 PYQIINZEGPTYFM-UHFFFAOYSA-N 355.478 5.026 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccc(Cl)cc2)o1 409204828 LINKKEJPAOYKDK-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB CC(C)(Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=O)O 1615056859 BMDUOFUTBCMRII-UHFFFAOYSA-N 356.771 5.679 0 40 FKAB O=C(NCc1cc(-c2ccsc2)cs1)c1ccccc1C(F)(F)F 1775969822 MLEXMEFBCMSGIJ-UHFFFAOYSA-N 367.417 5.425 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C1=Cc2cc(Cl)ccc2OC1 1391532 SIQLTJNSYYTANM-UHFFFAOYSA-N 354.620 5.061 0 40 FKAB C[C@H](NCC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 2134464 SFBCUWBQBAYOEK-RDPSFJRHSA-N 351.534 5.545 0 40 FKAB biogenic O=C1/C(=C/c2ccccc2)N=C(Oc2ccc(Cl)cc2)N1c1ccccc1 2179690 KMJSGJVOTPZXIE-HKWRFOASSA-N 374.827 5.163 0 40 FKAB S=C(Nc1ccccc1)Nc1nc2c(s1)CCCCCCCCCC2 2251009 HMTKXRHSOXTAGG-UHFFFAOYSA-N 373.591 6.171 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2Cl)cc1 2733487 SDZAKCZAYOLLIQ-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(F)c(F)cc1Cl 3153209 CTDHHOVRNPGCCF-UHFFFAOYSA-N 351.567 5.569 0 40 FKAB CC(C)(C)c1ccc(-c2nc(N)sc2-c2ccc(C(C)(C)C)cc2)cc1 3273925 NVGFIKJZRWPKDF-UHFFFAOYSA-N 364.558 6.654 0 40 FKAB CCCO[C@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 3843773 XXOMRYJCPZNLCW-NENAYYCWSA-N 374.565 5.488 0 40 FKAB Cc1ccc(Sc2cc3ccccc3nc2-c2ccc(Cl)cc2)cc1 4050719 CWMXVORVNOPFOO-UHFFFAOYSA-N 361.897 7.015 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccc(F)cc2)(c2ccc(F)cc2)CCO1 4094004 DBJXADIIVXDBFH-PKTZIBPZSA-N 373.487 5.362 0 40 FKAB Cc1cc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1Cl 4196513 DCJDGALLBKNBKW-UHFFFAOYSA-N 358.909 6.463 0 40 FKAB O=c1c(-c2ccccc2)c(O)cc(-c2ccc(F)cc2)n1-c1ccccc1 4375749 FUQOOKYYANAEIF-UHFFFAOYSA-N 357.384 5.016 0 40 FKAB CCSc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 5673876 WIXKQEFYPWIFAY-UHFFFAOYSA-N 368.505 6.590 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCc2ccccc21 5688495 INVBWJLYQMNYMV-UHFFFAOYSA-N 350.506 5.325 0 40 FKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cccc(F)c1 6218334 NZHNSKFOTHKXCY-UHFFFAOYSA-N 354.362 5.055 0 40 FKAB Cc1nc2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2s1 6668213 YSHSHKAMYBCPDS-CQSZACIVSA-N 352.503 5.545 0 40 FKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCc2ccccc21 7687483 NYPGRFLCHFXYEW-UHFFFAOYSA-N 363.844 5.122 0 40 FKAB Cc1ccccc1-c1nnc(SCc2cc3ccccc3nc2Cl)o1 8333172 BKQZTUGOJVLABG-UHFFFAOYSA-N 367.861 5.539 0 40 FKAB Cc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 10339182 DSEUCWQCFCCKDR-UHFFFAOYSA-N 361.510 5.859 0 40 FKAB Cc1ccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c(Cl)c1 11154085 ZKBZDEWWSGEKSW-HXUWFJFHSA-N 370.905 5.028 0 40 FKAB CC(C)(C)C1CCC(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1 12535696 UXVAYIVLJCXGLI-UHFFFAOYSA-N 367.537 5.121 0 40 FKAB C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13673368 UGYPIGVRNDTWEN-MRXNPFEDSA-N 373.924 5.674 0 40 FKAB CCc1ccccc1-n1nc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1 17073082 JORNRNDQOSKSJR-UHFFFAOYSA-N 352.481 6.386 0 40 FKAB CC[C@@H](C)Oc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1 19738613 RNCOUJHRLPXTMN-VGOFRKELSA-N 355.478 5.034 0 40 FKAB COc1ccccc1NC(=O)c1cccnc1Nc1ccc(C(C)C)cc1 22072175 JYJNTYJNMOCNBE-UHFFFAOYSA-N 361.445 5.210 0 40 FKAB COc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCCCC2)cc1 22757555 IOHYZXVCVHTQTF-UHFFFAOYSA-N 371.868 5.360 0 40 FKAB CCCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 23055386 ULCHIKSUUHNTLA-OAHLLOKOSA-N 362.473 5.334 0 40 FKAB Cc1nc(NC(=O)c2cc3c(F)cccc3s2)sc1-c1ccccn1 23499014 DMSKTFFZDNWQMG-UHFFFAOYSA-N 369.446 5.120 0 40 FKAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc(F)c1)C1CC1 58700901 RRVVPDSEYRQHAJ-LBPRGKRZSA-N 351.343 5.210 0 40 FKAB Fc1cc(F)cc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c1 71761105 LMLBKKYBSZQULY-UHFFFAOYSA-N 366.742 5.446 0 40 FKAB CCn1c(SCCCc2ccccc2)nnc1-c1ccc(Cl)cc1 75344413 WMSXRHPXOWQQHW-UHFFFAOYSA-N 357.910 5.343 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 106993922 JWJAVLNODPTTQG-UHFFFAOYSA-N 368.304 6.101 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222971494 ILWZFAIBVCQYCI-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 223316281 KVWQDMCUQVVCHP-UWJYYQICSA-N 351.490 5.080 0 40 FKAB Cc1ccccc1O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225130405 HBFRHWYMRSJOLC-HXUWFJFHSA-N 364.466 5.221 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc2c1 225261679 WEVQSGNSYLUCJH-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB Cc1cccc(CSCCNC(=S)Nc2ccc(C(C)C)cc2)c1 225336350 YVRCZTMMDZZSDW-UHFFFAOYSA-N 358.576 5.338 0 40 FKAB CC(C)C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 225492452 BOPMQNTZSROCMN-KRWDZBQOSA-N 366.452 5.779 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1C 225756294 QYYNNAIBNMTSRW-MRXNPFEDSA-N 363.324 5.195 0 40 FKAB CCC[C@H]1CC[C@H](C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1 584578755 CFJCNWQXOICKIF-POSCCBCBSA-N 364.520 7.244 0 40 FKAB CCc1cc(OC)c(Oc2c(F)cc(C(F)(F)F)cc2F)cc1F 1504250483 SGQBEYAKPOATCZ-UHFFFAOYSA-N 350.258 5.486 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 892227 BDYLXYAQPZXSRS-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB CCOC(=O)c1c(NC(=O)CCC2CCCCC2)sc(C)c1CC 994620 DWSGBVBLLXQUMK-UHFFFAOYSA-N 351.512 5.095 0 40 FKAB Cc1nc2c(c(-c3ccc(Cl)cc3)n1)Cc1c(ccc3ccccc13)O2 1567143 WNJZVNRPEWYUJK-UHFFFAOYSA-N 358.828 5.955 0 40 FKAB Cc1ccc(C)c(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)c1 2107298 XRUFXCNBTNMPCI-UHFFFAOYSA-N 370.448 5.964 0 40 FKAB biogenic CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)CC1 3259733 KHQAROFJJFRXML-UHFFFAOYSA-N 371.304 5.572 0 40 FKAB O=C(Cc1ccc(Br)cc1)OCc1ccc(Cl)cc1Cl 3271623 VNHQAKISLOMKEC-UHFFFAOYSA-N 374.061 5.042 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1cc(C(C)C)ccc1C 3294091 JDQQNQXGWWFGCO-UHFFFAOYSA-N 369.505 5.442 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccn2)N3)C1 4109064 QUNLENYQBAYERC-SJKOYZFVSA-N 355.507 5.113 0 40 FKAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(-c3ccccc3)cc2)cc1 4218747 MHAQAJYKQMJAEO-UHFFFAOYSA-N 354.409 5.213 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCC(C)CC2)o1 4424264 ABJMQCPBUBNSPQ-QZIMMCEPSA-N 370.880 5.691 0 40 FKAB CCCCCOc1ccccc1NC(=O)c1ccccc1Br 4506721 XOGPTZZUVUHNBD-UHFFFAOYSA-N 362.267 5.270 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2ccccc2)n1C 4699023 AMJZGQLUPGUKKE-UHFFFAOYSA-N 365.546 5.689 0 40 FKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4822524 JLQZWXXOAFAJEZ-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)CSc3ccc(Cl)cc3)nc12 5191681 GFMAKZJRLRHWSO-UHFFFAOYSA-N 362.907 5.297 0 40 FKAB CC(=O)Oc1ccc(C(c2ccccc2)c2ccccc2)c2ccccc12 5699415 RFRIGENAIFNHDL-UHFFFAOYSA-N 352.433 5.945 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 5734905 RPKLZQLYODPWTM-GLRRTJSDSA-N 360.582 6.536 0 40 FKAB biogenic O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1Cl)N2 6045469 MSLRJSCPYNQFKI-CBBVRRJISA-N 353.849 5.335 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc2c(s1)CCCC2 6154038 QZYDZUHQFVDGPI-UHFFFAOYSA-N 373.481 5.423 0 40 FKAB CCCCC[C@@H](C)CNC1=NN=C(c2ccc(Cl)cc2Cl)CS1 6203546 VMAUMMRSXPPSQT-GFCCVEGCSA-N 372.365 5.606 0 40 FKAB Cc1cc2sc(NC(=O)c3cccc4ccccc34)nc2cc1Cl 6826385 WLFRKMKNKZDGCO-UHFFFAOYSA-N 352.846 5.664 0 40 FKAB CCN1C2=C(C(=O)CCC2)C(c2cccc3ccccc23)C2=C1CCCC2=O 6953062 UHUJPPSPCMOWGG-UHFFFAOYSA-N 371.480 5.273 0 40 FKAB CCCCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 7261284 AMRVSQNZZNGRLY-UHFFFAOYSA-N 365.876 5.347 0 40 FKAB CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 7735081 JJHFZUYMBAXNNO-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB CCOC(=O)c1oc2ccccc2c1CN[C@H](c1cccs1)C(C)C 9112711 PDQGKOVNZQLMQK-SFHVURJKSA-N 357.475 5.158 0 40 FKAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1C 12618779 BHQSMUKILBRKKZ-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB COc1cc2c(cc1NC(=O)c1cn(C)c3ccccc13)oc1ccccc12 15601815 TWXHXEGGVNVNDY-UHFFFAOYSA-N 370.408 5.339 0 40 FKAB Fc1ccccc1CCNCc1cccc(OCc2ccc(Cl)cc2)c1 16449549 ISEJEMLVOAUURK-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB CC[C@@H]1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 16636766 XQSQDBVMWSUAHZ-LIVNOWQVSA-N 352.501 6.307 0 40 FKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757841 RFIWHGQKZQYQLA-UHFFFAOYSA-N 365.889 5.853 0 40 FKAB Cc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)CCC3)cc1 19817225 ZTCKWKSOTOUHNU-UHFFFAOYSA-N 374.469 5.053 0 40 FKAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2ccc(F)cc12 27995394 IEWPREYQXPQFDV-UHFFFAOYSA-N 371.717 5.805 0 40 FKAB Cc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)c2ccccn2)cc1 28286893 OJOAPZQBOQLHHH-UHFFFAOYSA-N 374.415 5.431 0 40 FKAB Cc1ccccc1OCC(=O)N(Cc1ccc(C(C)C)cc1)c1ccccn1 28288257 STHYVDPQEKPCAM-UHFFFAOYSA-N 374.484 5.126 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30863740 SCKNKLKBOQHGEI-YLJYHZDGSA-N 353.506 5.327 0 40 FKAB CCSc1ccccc1NC(=O)c1ccccc1OCc1ccccc1 30867615 JZZNDYQHOHCBFC-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB CSc1ccc2c(c1)N(CC[C@H]1CCCCN1)c1ccccc1S2 32229417 UFDCSHQNNVQXAS-OAHLLOKOSA-N 356.560 5.543 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)cc1Cl 32611705 LEOPVCJESPKOCT-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB Cn1cccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)s1 32615244 YGEZVBGNTNAXBM-UHFFFAOYSA-N 356.303 5.143 0 40 FKAB O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ccc1Cl 36750252 YRZHFBKVPRSLPD-UHFFFAOYSA-N 360.038 5.400 0 40 FKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(C)cc2)cc1 44085517 DTSHSIPKWBGNRR-UHFFFAOYSA-N 364.514 5.891 0 40 FKAB CC(=O)c1ccc(NC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1 48237055 IWUVHXDUBMGORR-INIZCTEOSA-N 373.456 5.706 0 40 FKAB Clc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1Cl 57352434 JIOLEIIWCWNSLL-UHFFFAOYSA-N 354.236 6.392 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(F)cc2Br)cc1Cl 71761801 HKSKQYNRBZSJFM-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB CCCCNc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72213628 IJOSSKAETDQBCF-FQEVSTJZSA-N 367.493 5.157 0 40 FKAB C[C@@H](/C=C\c1ccc(Br)cc1)c1ccc(Br)cc1 95934710 ZIBMZYVKNSKPBU-DLGQBQFBSA-N 366.096 6.029 0 40 FKAB F[C@@H]1CCCCCCCCCC[C@@]12NCC1(O2)C2CC3CC(C2)CC1C3 98174874 DKTLWAYPDODIDS-XJIMYUCMSA-N 363.561 5.750 0 40 FKAB O=C(c1cccs1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 102424361 MBIDDUUZOZSLPT-IMFGXOCKSA-N 359.922 5.503 0 40 FKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccccc2)cc1 106974341 HLDSHKGIPYGZOR-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCS[C@H](c2ccccc2F)CC1 219126824 VTXAFNLCENQKPQ-SFHVURJKSA-N 371.502 5.361 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223493060 IHMOMRCRUCSJMG-UTKZUKDTSA-N 373.924 5.608 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223495355 HNFOSLJZNCQWPN-VQTJNVASSA-N 367.533 5.688 0 40 FKAB CC[C@H](CNC(=S)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1 225631726 BFGFOWWNADXXSR-AWEZNQCLSA-N 366.452 5.261 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2ccccc12 225809924 BHMJOCLRLBVYRK-AOMKIAJQSA-N 355.478 5.162 0 40 FKAB CCC1(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 225854708 VIMJBJZWGYUWDG-UHFFFAOYSA-N 350.837 5.368 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)C(c1ccccc1)c1ccccc1 226755940 NDYMKEJPPQNTSQ-UHFFFAOYSA-N 350.849 5.001 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 409178446 IITQGLIRQNOFFM-UHFFFAOYSA-N 360.034 5.113 0 40 FKAB c1ccc2sc(-c3ccc(OCc4ccc5c(c4)OCO5)cc3)nc2c1 409189827 IZPXCSQNOPGDCS-UHFFFAOYSA-N 361.422 5.271 0 40 FKAB CC[C@H](C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 575362634 PAVLNVKQQXIJCV-ZDUSSCGKSA-N 371.196 5.844 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 683263 WEZPVBSHTBPPDY-UHFFFAOYSA-N 374.843 5.250 0 40 FKAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)cc1 888775 SVLDQOSSLBGLPF-UHFFFAOYSA-N 354.885 5.075 0 40 FKAB O=C(c1ccc(F)cc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 1456038 KGVHYKALGIZMIZ-UHFFFAOYSA-N 350.780 5.184 0 40 FKAB CCc1nc(Nc2cc3c(cc2O)CCCC3)c2oc3ccccc3c2n1 2412652 SXUCILIFJQXVGA-UHFFFAOYSA-N 359.429 5.266 0 40 FKAB CSc1ccccc1CCC(=O)c1ccc(Br)c(F)c1 2516619 UVAHRNJPYVSOKI-UHFFFAOYSA-N 353.256 5.126 0 40 FKAB C[C@H]1CCCCN1c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2886710 MAMRHGAYYMZYIA-ZDUSSCGKSA-N 372.299 5.982 0 40 FKAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1(F)F 3179080 BIWRWMNDNGIRRV-ZDUSSCGKSA-N 361.697 5.082 0 40 FKAB Cc1ccc(C)c(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c1 4171591 JIMUKLZMRDFDJA-UHFFFAOYSA-N 352.430 5.502 0 40 FKAB biogenic COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc2ccccc12 4788345 GEPYGDSDXRTPJA-WSUBETFTSA-N 374.480 6.003 0 40 FKAB Cc1sc(NC(=O)c2ccco2)c(-c2nc3ccccc3s2)c1C 5255663 HZNQLIYXCUJCPK-UHFFFAOYSA-N 354.456 5.487 0 40 FKAB CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 5717917 YRCNIUXLLWXXGR-ZPHPHTNESA-N 359.292 5.231 0 40 FKAB c1ccc(COC[C@H](CSc2ccccc2)OCc2ccccc2)cc1 5947072 IYQJODSKYMOPGT-JOCHJYFZSA-N 364.510 5.581 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)sc2c1 6279405 RFLXGSNXQUSDKG-UHFFFAOYSA-N 369.795 6.134 0 40 FKAB COc1ccc(-n2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 6588626 MWSFUJAYYLYLST-UHFFFAOYSA-N 364.448 5.778 0 40 FKAB O=C(NC1CCCCCCC1)c1ccc(OCc2ccccc2Cl)cc1 7700003 HFYUTYHYAMMLEN-UHFFFAOYSA-N 371.908 5.762 0 40 FKAB O=C(CCCCc1nc2ccccc2s1)Nc1cccc2cccnc12 7784930 DRWLWBQCHHCASP-UHFFFAOYSA-N 361.470 5.196 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(OC(F)F)cc1 8277746 ZOWDEGONYAEAQE-UHFFFAOYSA-N 359.397 5.172 0 40 FKAB COc1ccc(N(Cc2cccs2)C(=O)Nc2cccc(Cl)c2)cc1 8586727 VFXOAYHDVYWSSZ-UHFFFAOYSA-N 372.877 5.649 0 40 FKAB Cc1ccc(OP(=O)(Nc2ccc(C)cn2)Oc2ccc(C)cc2)cc1 12523991 RRIKMCADDVWVIT-UHFFFAOYSA-N 368.373 5.685 0 40 FKAB Cc1cc(F)ccc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 12761546 KQMVDIZDOSBSOA-UHFFFAOYSA-N 372.490 5.028 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 12923003 NMKUGDOOZNHOIS-UHFFFAOYSA-N 370.880 5.151 0 40 FKAB CC(C)[C@@H](C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)NCc1ccco1 13682149 ZYXKVLNBYOOWPU-VWNXMTODSA-N 369.549 5.602 0 40 FKAB Cc1ccc([C@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)cc1 14577231 PBVBRZFPYXUXHE-HXUWFJFHSA-N 369.386 5.533 0 40 FKAB CC(C)Oc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795310 MJFCPFYSXDNNMV-UHFFFAOYSA-N 369.848 5.567 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(Cl)cccc1Cl 30870998 JBNIUBGPMMKYJZ-GOSISDBHSA-N 374.267 5.943 0 40 FKAB Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1-c1ccccc1 31968396 DVPQPPIOAOHLHV-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB CCCCc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1 32118633 LXKZVPKVZMFLLY-UHFFFAOYSA-N 368.502 5.273 0 40 FKAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(F)cc2)ccc1C 35622381 GXAUSGAUQLLMOI-UHFFFAOYSA-N 361.420 5.509 0 40 FKAB C[C@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1cccs1 36622082 KXMNPEWUKGNALU-INIZCTEOSA-N 367.539 5.448 0 40 FKAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 54363241 SZHFLOJBQGIHJQ-UHFFFAOYSA-N 369.571 5.010 0 40 FKAB Cc1nc(SC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 59431814 VBJMUOCJYLXEBN-UHFFFAOYSA-N 364.257 5.569 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2ccsc2)CC1 75157185 ZWFPARXJBJYVCS-UHFFFAOYSA-N 355.290 5.466 0 40 FKAB Fc1ccc(COc2ccc3ccccc3c2CNc2ccccc2)cc1 106954958 UVVPSXGGLHFQIP-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1Cl 111894582 ICHRRNVRWXQBBC-LLVKDONJSA-N 356.224 5.155 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCc2ccccc21 222934713 FPDNHDKNKXUNTC-FCHUYYIVSA-N 365.517 5.335 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cccc1C(C)C 223018854 XRYDIJFHTABHJL-LJQANCHMSA-N 359.897 5.876 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223106063 UEJNKWDFBRMOFN-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223492008 VTPJMWDKLHRYNZ-XMSQKQJNSA-N 353.506 5.209 0 40 FKAB CCCCOCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OCC 224728905 FYRSVBUGMJOQTJ-UHFFFAOYSA-N 373.518 5.376 0 40 FKAB C1=C(c2nc3cc(-c4ccccc4)ccc3o2)CCN(Cc2ccccc2)C1 226250461 RXPFQCADZQSCMF-UHFFFAOYSA-N 366.464 5.784 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc3ccccc13)N2 247411492 PJSKYJZDYXRLSG-VYKIUPSASA-N 369.464 5.835 0 40 FKAB O=C(O)c1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)cc1 257262240 LKRQWBDIAPRPJZ-UHFFFAOYSA-N 372.399 5.103 0 40 FKAB COc1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)c1 659075 CBJWYOUOEDXIQF-UHFFFAOYSA-N 362.379 5.698 0 40 FKAB Cc1ccc(F)c(NC(=O)c2ccc(COc3ccccc3Cl)o2)c1 1083471 VGVKKNROEWCSSL-UHFFFAOYSA-N 359.784 5.212 0 40 FKAB CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)CN1CCCCCC1 1646375 ZBWMEOUDAZXGEW-OAQYLSRUSA-N 363.545 5.464 0 40 FKAB c1ccc(CCNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 2141246 UXZPFPLPTODLCU-UHFFFAOYSA-N 356.494 6.132 0 40 FKAB Clc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2284928 SFYHSAUSBOHXJB-UHFFFAOYSA-N 356.816 5.289 0 40 FKAB CC(C)CNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12 2435624 COLMTTOKRVVGKR-UHFFFAOYSA-N 356.901 5.415 0 40 FKAB CC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)c2ccc(F)cc2)cc1 2446173 DBHONJNJAGNVMN-QFIPXVFZSA-N 369.480 5.147 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(C(C)C)cc3)sc2c1 2637087 FOJKJYFMGHWLEA-UHFFFAOYSA-N 352.503 6.015 0 40 FKAB Cc1csc(N(C(=O)c2cccc(OC(F)F)c2)c2ccccc2)n1 3554674 PTEFXJKLRJIJCC-UHFFFAOYSA-N 360.385 5.031 0 40 FKAB COc1ccc(NC(=O)C[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4043226 UFAOAHSTSYHPOW-RXVVDRJESA-N 367.489 5.013 0 40 FKAB biogenic Brc1ccc(CN2c3ccccc3Sc3cccnc32)cc1 4050596 JVWSDOFOOLESEA-UHFFFAOYSA-N 369.287 5.647 0 40 FKAB Clc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1 4324545 VKIKOXFNAWZNAZ-UHFFFAOYSA-N 356.856 6.021 0 40 FKAB Cc1cc(Cl)cc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 4331417 LSESOHYSFNYRIK-UHFFFAOYSA-N 360.866 5.298 0 40 FKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C(C)=C/c2ccccc2)N3)C1 4545521 FNLHBVZAPGMZFA-ZAZFOYBVSA-N 352.503 5.423 0 40 FKAB C[C@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C 4654025 GRQROJVOZIQILL-OBJOEFQTSA-N 372.292 5.080 0 40 FKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CNC(=O)C3CC3)[C@@H]1CC2 4698056 MYJYYQOEZZKMCH-XWGVYQGASA-N 353.550 5.347 0 40 FKAB CCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccccc2C)s1 4982407 FUIADXKTRYQHRR-UHFFFAOYSA-N 369.465 5.100 0 40 FKAB O=C(CSCCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl 5859620 LTSKWUJNSDYBBP-UHFFFAOYSA-N 363.954 5.618 0 40 FKAB CCCC(=O)Nc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 6386405 XMJLTWGHJKYPGR-UHFFFAOYSA-N 351.475 5.601 0 40 FKAB CCCOc1ccc(Br)cc1CNc1ccc(Cl)cc1 6941787 XKCZOUSMPUJGLP-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB CCc1cccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 7504074 UNGVBBCOESLRSG-OAQYLSRUSA-N 355.441 5.501 0 40 FKAB O=C(c1ccc2ccccc2c1)N1CCC[C@H]1c1nc2ccccc2s1 9817518 QZGDTYBIYHNANR-IBGZPJMESA-N 358.466 5.427 0 40 FKAB CC(C)COP(=O)(Nc1ccc(C(F)(F)F)cc1)OCC(C)C 10034850 MXVXIZMKLXPCGZ-UHFFFAOYSA-N 353.321 5.571 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(Cl)c2C)s1 15840162 CLSVKAFLKBKHDK-UHFFFAOYSA-N 362.907 5.323 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1C 17074214 AYEYNBWQRCMNEL-UHFFFAOYSA-N 360.407 6.101 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1C 20454655 FBIYOUUZBPMLJJ-FQEVSTJZSA-N 353.849 5.598 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 27663438 OBPYPNYXAWPINP-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1c(F)cccc1Cl 32820413 QOJHWCJGZCRZKC-UHFFFAOYSA-N 373.786 5.341 0 40 FKAB COc1ccc(N)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 57340170 JNWIZUOQFQBLBY-UHFFFAOYSA-N 367.257 5.051 0 40 FKAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(-c2ccccc2)cc1 58133871 KQAWCXBXAAAATO-CAPFRKAQSA-N 350.421 5.008 0 40 FKAB COc1ccc2oc(C)c(C(=O)N[C@H](c3cccs3)C(C)(C)C)c2c1 65522136 MGNIORRRXCSDCP-GOSISDBHSA-N 357.475 5.329 0 40 FKAB CCCCc1c(O)c2c(n(-c3ccccc3)c1=O)[C@@]1(C)CC[C@H]2C1(C)C 101492456 JLHXBMHJBVXVAG-UZUQRXQVSA-N 351.490 5.061 0 40 FKAB CC(=O)Nc1cc(NCc2ccc(-c3ccc(F)cc3C)o2)ccc1C 115613020 KUFGKWJKPCRPKB-UHFFFAOYSA-N 352.409 5.273 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 144659953 IIUROSKZBKPNOQ-KRWDZBQOSA-N 363.482 5.907 0 40 FKAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3cccc(Cl)c3)c2N)c1 225177575 WQRRJPLTRNUAND-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1Cl 225532248 CWVGLMHJXOULDS-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB CCCO[C@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@H](C)C1 225666387 JQFWRUFTDRSEQO-KSFYIVLOSA-N 361.526 5.405 0 40 FKAB COc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c(OC)c1 225763822 BRUMTASNSSCUIT-FQEVSTJZSA-N 372.534 5.004 0 40 FKAB COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Cl 226343522 WLLPXSNKQVGJSC-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O 253369296 ARYVICLZGFZHAR-HENAEDKUSA-N 368.565 5.207 0 40 FKAB CCO[C@]1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCC[C@H](C)C1 260817045 VOUFRAKWUHMVCS-LZFQIVBZSA-N 361.526 5.405 0 40 FKAB C[C@@H]1C[C@@H]2C=C3CCCC3=C[C@@H]2[C@@H]1CCC1[C@@H]2C=CC=C[C@@H]2[C@H]2C=CC=C[C@@H]12 299888730 VMDNXVUDKRENNP-RETUNEQSSA-N 370.580 7.052 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(OC)cc1 408824383 GXVBZUIPGNXOQH-UHFFFAOYSA-N 352.459 5.024 0 40 FKAB N[C@H](COc1ccccc1Oc1ccc(Cl)cc1)Cc1ccccc1 643550304 JSIZFWGRQOUQKW-SFHVURJKSA-N 353.849 5.081 0 40 FKAB Brc1ccc2[nH]cc([C@@H](c3ccccc3)N3CCCC3)c2c1 1775971514 RGKWHLDDUPRDSR-LJQANCHMSA-N 355.279 5.116 0 40 FKAB Cc1cccc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12 682916 JJYUPTSHAZMXBL-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 1023075 BJYSGPMOFGVXIQ-UHFFFAOYSA-N 365.241 5.018 0 40 FKAB CCOP(=O)(OCC)O/C(=C/Cl)c1ccc(Cl)cc1Cl 2040511 FSAVDKDHPDSCTO-XYOKQWHBSA-N 359.573 5.728 0 40 FKAB in-man O=C(Nc1ccc(F)cc1F)c1ccc(-c2cccc(Cl)c2Cl)o1 2213137 YSDTUMPTOJKXBS-UHFFFAOYSA-N 368.166 5.784 0 40 FKAB COc1cccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)c1 2449059 JAWQYHPJFMDKJQ-UHFFFAOYSA-N 358.445 5.160 0 40 FKAB O=C(c1ccccc1)c1ccc(OC(=O)c2cc3c(s2)CCCC3)cc1 3352466 DJWCYFBZNPLFSA-UHFFFAOYSA-N 362.450 5.077 0 40 FKAB Clc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1 4137810 IRLSXCMJAYJOCV-UHFFFAOYSA-N 361.835 5.032 0 40 FKAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2=O 4185569 KUXPJFCLABRXPP-SJORKVTESA-N 373.802 5.083 0 40 FKAB O=C(Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1)c1ccco1 4586211 GPSRNFNKMNQWTR-UHFFFAOYSA-N 372.332 5.018 0 40 FKAB biogenic Cc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)nc3n2C)cc1 4678555 XXIFSMYRRXJJPG-UHFFFAOYSA-N 356.256 5.622 0 40 FKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(C)c2)cc1 5235212 TWVHYUUXFMHVOS-NTCAYCPXSA-N 354.453 5.572 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 6811475 JAYQBPCOULFTIU-UHFFFAOYSA-N 364.445 5.553 0 40 FKAB CC(C)(C)NCc1cc(Br)ccc1OCc1ccc(F)cc1 6882525 QURFHFDMFGUBCI-UHFFFAOYSA-N 366.274 5.055 0 40 FKAB Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 8086415 BQZRZESNBTYDHA-ZHACJKMWSA-N 362.498 5.024 0 40 FKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1C(F)(F)F 8427948 DAZLFVWLHGKBEC-UHFFFAOYSA-N 362.395 5.338 0 40 FKAB OC1=Nc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2cccc(F)c2F)C1 9421399 ZGJWIKNMJXSXHS-LBPRGKRZSA-N 359.763 5.132 0 40 FKAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Oc1ccccc1 11327081 JPWWDAFURSNGCM-UHFFFAOYSA-N 369.420 5.547 0 40 FKAB O=C(c1cccs1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185208 LMIVLISQIXQOID-CQSZACIVSA-N 358.488 5.222 0 40 FKAB CCCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1OCC 13042560 SNCNILNXDFPQDT-MHWRWJLKSA-N 357.837 5.020 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc2c(Cl)cccc12 14258487 ZFXMYMDYUDSSDJ-UHFFFAOYSA-N 350.849 5.346 0 40 FKAB Cc1ccc2cc(COC(=O)C[C@H](C)c3ccccc3)c(Cl)nc2c1 15042321 IVXQCICPJUBWMZ-HNNXBMFYSA-N 353.849 5.434 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C(C)C 20452143 CPDQVRDQGYEPEF-GOSISDBHSA-N 361.938 6.281 0 40 FKAB CC(C)COc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21576348 WMWJZZAGFGACSO-UHFFFAOYSA-N 370.468 5.103 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1c1cccs1 22131809 LLLRQHAUAOZCLO-LBPRGKRZSA-N 360.529 5.219 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 22519127 PLASDQOWLXXYEB-NRFANRHFSA-N 365.404 5.414 0 40 FKAB CC(C)c1ccc([C@@H](NC(=O)c2cc(C3CC3)on2)c2cccs2)cc1 26697888 QEMLWFZHMCRSBW-HXUWFJFHSA-N 366.486 5.256 0 40 FKAB Cc1c(C(=O)Nc2ccccc2Cl)oc2cc(Br)ccc12 27663335 GMVKFZYRKGCDTN-UHFFFAOYSA-N 364.626 5.409 0 40 FKAB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccccc1Cl 35647392 QQTLHCCKWLRBMC-LDADJPATSA-N 364.857 5.385 0 40 FKAB O=C(Nc1cccnc1Oc1ccccc1)c1cccc(Cl)c1Cl 36391561 ZFGQAWZAXBDDAU-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB Cc1nc(C)c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1 58700986 JQEMGWGOFVSKJP-LLVKDONJSA-N 368.424 5.145 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71326280 FEPSRDDHHIIDEW-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 222687595 CSPWOGCXZTZRAS-UHFFFAOYSA-N 374.720 6.158 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222905739 RXSOHVACKZFZMJ-IRXDYDNUSA-N 353.531 5.065 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223017076 MVGTVGAENZFZTO-IBGZPJMESA-N 359.897 5.569 0 40 FKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc3ccccc23)n1 225917530 NCBYXPRNIMXPBE-UHFFFAOYSA-N 368.440 5.243 0 40 FKAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 226254550 RXDBSBLCBBFQKV-UHFFFAOYSA-N 371.484 5.178 0 40 FKAB O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ccc(Cl)cc1 408553589 AUUFGSPQRFMIJP-OAHLLOKOSA-N 358.677 5.425 0 40 FKAB Cc1cccc(COc2ccc(C(=S)N3CCc4ccccc4C3)cc2)c1 409197044 URINHVYRNGSJJD-UHFFFAOYSA-N 373.521 5.308 0 40 FKAB CN(Cc1ccccc1)C(=O)c1sc2cc(Cl)ccc2c1Cl 625111 QOXZMTCLJCGLIE-UHFFFAOYSA-N 350.270 5.480 0 40 FKAB CCN(CC)c1ccc(NC(=O)COc2ccc3ccccc3c2)c(C)c1 682452 IUQUXSYJBHZYEE-UHFFFAOYSA-N 362.473 5.012 0 40 FKAB Cc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 689563 FAPUUAUVVNHOOP-UHFFFAOYSA-N 350.487 5.077 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)c1ccc(OC)cc1 1339975 NRPXFIBGNLHXRL-UHFFFAOYSA-N 351.471 5.089 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 1914123 FNCMBQUYQASBIG-UHFFFAOYSA-N 366.505 5.091 0 40 FKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)Nc1nccs1 2718358 IEFDWCMKKJYMBY-UHFFFAOYSA-N 365.483 5.022 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1-c1ccccc1OC(=O)c1ccccc1 3013844 MQKUZPNXEPOONF-UHFFFAOYSA-N 368.436 5.375 0 40 FKAB COc1cc(CNCC[C@H](CCC(C)C)c2ccco2)ccc1OC(C)C 4085208 JZJWXNFEZLTJHK-FQEVSTJZSA-N 373.537 5.775 0 40 FKAB biogenic CCOc1ccccc1NC(=O)c1ccc(CSc2ccccc2)o1 5013915 RJVRYRRKYCRHFH-UHFFFAOYSA-N 353.443 5.223 0 40 FKAB O=C(CCCSc1ncnc2sc3c(c12)CCC3)c1ccc(F)cc1 5212769 KAWRIZUJUAJGRC-UHFFFAOYSA-N 372.490 5.074 0 40 FKAB Nc1ncnc2c1sc1nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 5672820 DQTDANOKSJEYPZ-UHFFFAOYSA-N 372.428 5.295 0 40 FKAB Cc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790637 WJGONKYGSHHQJR-UHFFFAOYSA-N 360.486 5.362 0 40 FKAB Cc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 8372254 UFLGOEBURBWQRM-UHFFFAOYSA-N 361.224 5.919 0 40 FKAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@H]21 10215626 OFOJPDNZFLWDCH-XXBNENTESA-N 374.440 5.229 0 40 FKAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C1(c2ccccc2)CCCC1 10372763 DOYCCKPNIWSTHZ-UHFFFAOYSA-N 368.908 5.391 0 40 FKAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)n(-c2ccccc2)n1 13701139 NZABDYMQPLSTGV-UHFFFAOYSA-N 367.861 5.301 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)COc3ccc(C(C)C)cc3)nc12 14258020 JYAKPRPMJRHEJJ-UHFFFAOYSA-N 354.475 5.054 0 40 FKAB Cc1ccc(-c2cc(Nc3cccc(Br)c3)nc(C)n2)cc1 15859138 XMZLDLPEBSJSKP-UHFFFAOYSA-N 354.251 5.267 0 40 FKAB CCOc1ccc(-c2c3c(nn2-c2ccccc2)CC(C)(C)CC3=O)cc1 20674321 KRKXJKDXNPDUBH-UHFFFAOYSA-N 360.457 5.093 0 40 FKAB Cc1ccccc1/C=C/c1cc(C(=O)O)c2cc(Br)ccc2n1 21959011 DHHUOFDWNDPKDE-SOFGYWHQSA-N 368.230 5.174 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccccc2)on1 27580796 MIUQCTMPHZJODW-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(OC(C)C)c1 30755388 RGCVLUIGJCFYQD-JOCHJYFZSA-N 363.457 5.423 0 40 FKAB CCOc1ccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1 40216630 YGYVGDQSWSXJLM-UHFFFAOYSA-N 358.445 5.155 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc(C)c1Cl 41157046 MZJAGQFZDVPNDT-HNNXBMFYSA-N 368.864 5.219 0 40 FKAB Cc1ccc(F)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297509 LEJNPCBKWJMOOD-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB Clc1nc2ccc(Br)cc2c(Cl)c1Br 95098200 XBFYQQSUISYCNO-UHFFFAOYSA-N 355.844 5.067 0 40 FKAB CCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 100003642 CVZSOYGGKIMZOB-PUZFROQSSA-N 350.502 6.542 0 40 FKAB C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102181145 RETFDUUCTYPBBO-RMIALFOJSA-N 368.329 5.763 0 40 FKAB CC1(C)CC2=Nc3onc(C(C)(C)C)c3[C@@H](c3cccnc3)C2=C(O)C1 102736785 CBWATKVSINCVSD-HNNXBMFYSA-N 351.450 5.217 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccccc1C 224365653 PCNSWPBFQQEOOV-DHIUTWEWSA-N 365.517 5.299 0 40 FKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3)o2)cc1 224907294 BVIFYIARYJVHQG-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544251 YVQUDCYDCDRUON-UHFFFAOYSA-N 355.453 5.454 0 40 FKAB CCOc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1 225848221 YUCZOLSGZJWERF-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 253504936 NIXXKMPUWREKQR-ILSOZCRKSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro O=C(NCCc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 408923814 GWAGWKNTFKKODS-HEHNFIMWSA-N 361.872 5.240 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)cc3)sc2c1Cl 408971111 MGSCDTWJINYKOQ-UHFFFAOYSA-N 366.269 5.777 0 40 FKAB CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 1772492495 ZBPQBCXWLUSWGS-AXKUPRLYSA-N 360.538 5.310 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(CCc3ccccc3)=CC[C@H]12 2049238443 VBTNPIPMZUSOJR-OCCUWHJOSA-N 360.585 7.364 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc(F)cc1 670828 ZLAIFOAINHAATK-UHFFFAOYSA-N 370.427 5.279 0 40 FKAB O=C(CSc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 1392130 BQSQWJLAAXXDOM-UHFFFAOYSA-N 360.891 5.194 0 40 FKAB COc1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)cc2)cc1 1400565 FLACUGYFGVWKDN-UHFFFAOYSA-N 373.861 5.241 0 40 FKAB Cc1c(C(=O)O)c2cc(O)c(Br)cc2n1C1CCCCCC1 1427065 PBTOTHLYEDACBT-UHFFFAOYSA-N 366.255 5.011 0 40 FKAB CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccco1 1777451 FCSOJFQFZBGOGI-QFIPXVFZSA-N 357.494 5.245 0 40 FKAB biogenic CC(C)Oc1ccc([C@H](CCNCc2ccccc2)c2ccccc2)cc1 1837436 JVBCOQSAKYKBSZ-RUZDIDTESA-N 359.513 5.786 0 40 FKAB biogenic CCN(CC)c1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(C)c1 2069497 YYPVNHBMHNWFKS-IBGZPJMESA-N 366.549 5.782 0 40 FKAB CCN(CC)c1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(C)c1 2069498 YYPVNHBMHNWFKS-LJQANCHMSA-N 366.549 5.782 0 40 FKAB CCOc1ccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 2409725 BBBVMWNJNDIJTF-HSZRJFAPSA-N 355.441 5.249 0 40 FKAB COc1cccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)c1 3275587 ZRJSTCLZXVNEBJ-UHFFFAOYSA-N 351.406 5.250 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)NC2CCCCC2)C1(C)C 3765650 RDHFSJCOCFEYPV-GHTZIAJQSA-N 367.537 5.238 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 3850031 KCBHZVKBMOMXJF-KIEAKMPYSA-N 358.566 6.297 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 3881978 XYGMEFJSKQEBTO-RULOQMRISA-N 364.913 5.017 0 40 FKAB biogenic C[C@@H]1[C@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 4027052 DYGSLTDGTPXLQY-CXEWAAMLSA-N 355.305 5.524 0 40 FKAB biogenic CC(C)c1ccc(CN(Cc2ccccc2)C(=S)Nc2ccccc2)cc1 4045204 LAMICQSYWUVHKA-UHFFFAOYSA-N 374.553 6.209 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4657283 VDKBIHGKLUDSIE-UHFFFAOYSA-N 359.425 5.873 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 6323485 QPQQZEONNUZBOS-UHFFFAOYSA-N 361.510 6.388 0 40 FKAB O=C(c1ccccc1)c1ccc(OCc2ncc(-c3ccccc3)o2)cc1 7133723 GPAQQSOBGAYTBC-UHFFFAOYSA-N 355.393 5.152 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 7687163 HEMVIIHTXVSERV-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)c1nnc(-c2ccccc2)o1 9339092 JPHSIWLLCSRNDN-HNNXBMFYSA-N 353.425 5.481 0 40 FKAB CCc1ccc([C@H](N[C@H](C)c2nnc(-c3cccc(C)c3)o2)C(C)C)cc1 11049734 ZXBXZGABBYYPMV-DYESRHJHSA-N 363.505 5.655 0 40 FKAB CC(C)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)c(C(C)C)c1 11436412 CXGPADBGUCGMDC-UHFFFAOYSA-N 366.490 5.099 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 12311563 MHGMDZFFTXQGNJ-SDNWHVSQSA-N 373.843 5.535 0 40 FKAB CC1CCN(c2ccnc(SCc3cccc(C(F)(F)F)c3)n2)CC1 19074856 FWSQPGLEQUOFLA-UHFFFAOYSA-N 367.440 5.024 0 40 FKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 27970478 NVTXBMYCCKGGGM-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB COc1ccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc1C 40024489 YCLWEQZGZFBLDT-SSZFMOIBSA-N 367.470 5.409 0 40 FKAB C[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)c2cc(Cl)ccc2S1 40150725 GFIYCNVWRYVHTP-ZDUSSCGKSA-N 370.905 5.281 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1 46086216 VUUONFPRTFTNET-UHFFFAOYSA-N 357.837 5.826 0 40 FKAB CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214924 QTYWKGHCZMEWBH-SFHVURJKSA-N 361.530 5.169 0 40 FKAB C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222902687 MCSNJWXIPTYTSB-QIPHDZALSA-N 361.529 5.754 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@@H](C)C1 225853123 ZVLVVNWRQCJYFI-FZKQIMNGSA-N 373.415 5.028 0 40 FKAB Cc1c(C2CC2)nc2ccc(-c3cncc(C(F)F)c3)cc2c1C(=O)O 657206499 RJACRSKLPJWBRX-UHFFFAOYSA-N 354.356 5.118 0 40 FKAB CC(C)c1cccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 959350 MXWLJQSSRLNQEI-UHFFFAOYSA-N 370.449 5.090 0 40 FKAB Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2cccs2)C1 1297651 KWPRXHLHSPECML-UHFFFAOYSA-N 352.846 5.752 0 40 FKAB COc1ccc2c(C)c(-c3cc(=O)oc4cc5c(cc34)CCCC5)oc2c1 1448075 FSMVINHDFPYTLL-UHFFFAOYSA-N 360.409 5.402 0 40 FKAB biogenic CCCCCCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3cc2oc1=O 2126505 PZKVMPMLJMMIKH-UHFFFAOYSA-N 374.480 6.946 0 40 FKAB biogenic CC(C)CCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2426429 UYTTYSKSDLMZRE-UHFFFAOYSA-N 350.853 5.346 0 40 FKAB Cc1cc(C)c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(Cl)c1 2643219 WVINNAPATKYHEV-UHFFFAOYSA-N 369.892 6.316 0 40 FKAB CCCCN(CCCC)C(=O)[C@H](Sc1ccccc1)c1ccccc1 2754634 SNWOMNXOEYNCOC-OAQYLSRUSA-N 355.547 5.949 0 40 FKAB CC[C@]1(C)C[C@@](CCNCc2ccc(OC(C)C)cc2)(C(C)C)CCO1 4073330 BVXZKVGVMFJFAV-PKTZIBPZSA-N 361.570 5.575 0 40 FKAB biogenic CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 4213057 NOTIQUSPUUHHEH-UXOVVSIBSA-N 360.538 5.166 0 40 FKAB world O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(Br)c1 4712889 TVIFHSUSJDYXHS-UHFFFAOYSA-N 366.214 5.601 0 40 FKAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccc2ccccc12 5083519 WVMMJIGUBVFLCG-UHFFFAOYSA-N 369.449 5.468 0 40 FKAB Cc1sc2nc([C@H](C)Oc3ccc(Cl)cc3Cl)[nH]c(=O)c2c1C 5171427 OGWRMQXGXHFXPI-QMMMGPOBSA-N 369.273 5.048 0 40 FKAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5460367 JGGBPPKNCKVNQM-FPOVZHCZSA-N 373.431 5.330 0 40 FKAB CC[C@@H](CO)NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523455 YSOSFUSHKVHKAM-SFHVURJKSA-N 371.442 5.369 0 40 FKAB Cc1cccc(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)c1 5554531 BZANQLSMHAHQAD-UHFFFAOYSA-N 356.421 5.656 0 40 FKAB Clc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1 6788142 VZFWWCUXNVJUQW-UHFFFAOYSA-N 373.887 5.483 0 40 FKAB Clc1ccccc1COc1ccc(-c2nc(-c3cccnc3)no2)cc1 7700624 QDQZTFLMXGSSLW-UHFFFAOYSA-N 363.804 5.031 0 40 FKAB Cc1ccccc1NC(=O)c1c(C)nc2ccccc2c1-c1ccccc1 7847334 BNZPTRTZTKMALO-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB COc1ccc(OC)c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1 12578216 MYQLYSBFCQAVLX-UHFFFAOYSA-N 367.445 5.063 0 40 FKAB Cc1ccc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2n1 12651339 HLYMYZCSSAKYOW-UHFFFAOYSA-N 368.436 5.375 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12924228 PZSOSMDVPAUNCG-UHFFFAOYSA-N 364.493 5.259 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 12979134 VZPCDUPUCFBMNA-CYBMUJFWSA-N 351.475 5.279 0 40 FKAB Clc1cccc(Cl)c1CNNCc1c(Cl)cccc1Cl 19171435 OLPOOAGFWXNRAE-UHFFFAOYSA-N 350.076 5.095 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H]1c1ccccc1 22552115 ZVPOYVLMLUMDNB-HXUWFJFHSA-N 350.849 5.174 0 40 FKAB O=c1cc(-c2ccccc2)c2ccc(Oc3ncnc4ccccc34)cc2o1 24057612 OYLCSJLUVCJSPP-UHFFFAOYSA-N 366.376 5.196 0 40 FKAB O=C(CCCCc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 24750310 XFYGWTDGRMQCOM-UHFFFAOYSA-N 368.546 5.094 0 40 FKAB O=C(Nc1ccc(NC(=O)c2occc2-c2ccccc2)cc1)c1ccco1 24926513 OMGANJISJUTTDX-UHFFFAOYSA-N 372.380 5.044 0 40 FKAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(C3CCCCC3)o2)cc1C 32945448 PVJLENCMSPYFKL-HNNXBMFYSA-N 358.507 5.406 0 40 FKAB Cc1cc(C)c(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1C 49006147 AIZLFPXNLLFKOH-UHFFFAOYSA-N 367.499 5.438 0 40 FKAB CC[C@@H]1CCCCN1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 95350313 ZCNYYUKFXNLSBT-LJQANCHMSA-N 356.441 5.201 0 40 FKAB CCCC[C@H](CC)C[C@H](CC)CNC[C@H](CC)C[C@H](CC)CCCC 96191796 TUWPUFVJJBETKM-WAPCQROESA-N 353.679 7.841 0 40 FKAB CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 101050721 IXRMBGQFMYWKBM-VHXPQNKSSA-N 372.493 5.837 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc2ccccc2c1 222822180 ULYUXPOGUAHPOA-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB S=C(Nc1cccnc1Sc1ccc(Cl)cc1)NC1CCCC1 225190068 UHSSGNNVLBGXCI-UHFFFAOYSA-N 363.939 5.115 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Cl)cc1 225677183 UHKJWJAWGKQFTI-INIZCTEOSA-N 360.910 5.237 0 40 FKAB O=C(NCCSCc1ccccc1Cl)C1(c2ccccc2)CCCC1 225691237 STJKXFJCGBDUCP-UHFFFAOYSA-N 373.949 5.201 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1Cl)N2 247398691 MSLRJSCPYNQFKI-GPQGAXSRSA-N 353.849 5.335 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(-c2ccccc2C(=O)O)c1 257258982 KWJAHOBPKBFTDS-IBGZPJMESA-N 367.445 5.124 0 40 FKAB Cc1cc(C)c2nc(SCc3cc(=O)[nH]c4ccccc34)cc(C)c2c1 902943 JXLZVDCQVFQEDW-UHFFFAOYSA-N 360.482 5.294 0 40 FKAB CC1(C)CC(=O)C([C@@H]2c3ccccc3Oc3ccc(Cl)cc32)C(=O)C1 948677 MNHMMYIDZOVWKR-LJQANCHMSA-N 354.833 5.152 0 40 FKAB COC(=O)c1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 949571 XCQMRNBEJUXIPB-UHFFFAOYSA-N 360.335 5.092 0 40 FKAB COC(=O)c1ccc(Nc2nc(-c3cccc(C)c3)nc3ccccc23)cc1 952821 BHEHJCPGLWIUEV-UHFFFAOYSA-N 369.424 5.135 0 40 FKAB Fc1cccc(CSc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1 1400830 JKQSPHXNUPLKCQ-UHFFFAOYSA-N 364.367 5.594 0 40 FKAB CC(=O)Nc1cccc(Oc2nnc(-c3ccccc3)c3ccccc23)c1 1465910 QTYFITXSPFIQPC-UHFFFAOYSA-N 355.397 5.048 0 40 FKAB O=C(O)c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccc(F)cc12 1790000 HYVAFVSDZZBWGY-UHFFFAOYSA-N 351.308 5.138 0 40 FKAB CCN(CC)C(=S)SCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2023814 YONUDXNHWDBVCN-UHFFFAOYSA-N 367.624 5.847 0 40 FKAB CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1Cc1ccccc1 2298508 XDJDIGLMEXUFOI-UHFFFAOYSA-N 356.469 5.019 0 40 FKAB CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 2450821 MUZIMFIVZYHEBH-UHFFFAOYSA-N 364.301 5.564 0 40 FKAB CCCCN(CCCC)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 2754635 SNWOMNXOEYNCOC-NRFANRHFSA-N 355.547 5.949 0 40 FKAB CCc1c(C)sc2ncn3nc([C@@H]4C[C@H]4c4ccc(Cl)cc4)nc3c12 2808946 WBCZDSQWXDWWLV-LSDHHAIUSA-N 368.893 5.134 0 40 FKAB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 3313648 QIUJNAAAGGVIOH-UHFFFAOYSA-N 365.454 5.153 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cccc(C)n23)cc1 3911614 SVYXWHIWLMQFQQ-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB CC1(C)[C@H]2CC[C@H](CCOC(=O)COc3ccc(Cl)cc3Cl)[C@@H]1C2 4416318 MMNWATKUJSJOBZ-IPYPFGDCSA-N 371.304 5.378 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc2ccccc12 4719195 HUPXJKXLQUHMQX-UHFFFAOYSA-N 353.849 5.599 0 40 FKAB c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1 4896032 AXZRNKFNIAOZEK-UHFFFAOYSA-N 361.448 6.311 0 40 FKAB biogenic C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)c1nnc(-c2ccccc2)o1 5281349 NCNAQAYEWADOIB-INIZCTEOSA-N 370.408 5.108 0 40 FKAB COc1cc2c(cc1OC)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)CC2 5428732 TUKNVSPTFVGHSE-GFCCVEGCSA-N 366.288 5.130 0 40 FKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 6170147 IDCNKQIILQEVJL-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(C)c1 6281747 POPUXAXTCYYCRT-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB CCCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 7261242 KCAUGZFBWCXVBF-UHFFFAOYSA-N 365.876 5.347 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(CN[C@H](c3ccccc3)C3CC3)o2)cc1 9313556 ZWMAWVKJDFYURB-OAQYLSRUSA-N 361.489 5.275 0 40 FKAB CCc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 10338755 OQZSLLHGVBTAQN-UHFFFAOYSA-N 355.787 5.493 0 40 FKAB CCN(C(=O)c1cc2ccccc2o1)c1nc2cc(Cl)ccc2s1 12901826 WCKCQSGAMBNGMQ-UHFFFAOYSA-N 356.834 5.363 0 40 FKAB CCSc1nc2ccccc2n1C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 13775603 ZHRVTFJJYMMTIH-HZMBPMFUSA-N 369.317 5.380 0 40 FKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 14256843 LBBLMTXCPDGIJD-UHFFFAOYSA-N 367.470 5.403 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)cc1 18132187 HDCGRIDCVCYMAJ-ACJLOTCBSA-N 363.910 5.097 0 40 FKAB COc1ccc([C@H](C)N(C)Cc2c(C3CCCC3)[nH]c3ncccc23)cc1 19458715 CXBMXHXSZPRVQE-INIZCTEOSA-N 363.505 5.422 0 40 FKAB C[C@@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 26440152 IWJZDETVJSSMLD-QGDZQMKYSA-N 370.540 5.396 0 40 FKAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27742395 QZFBTOUHRVAYDR-LJQANCHMSA-N 370.562 5.003 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(F)c1F 28210906 WIYYMNBFYCURAX-UHFFFAOYSA-N 353.649 5.028 0 40 FKAB Cc1c(C(=O)Nc2nc(-c3cccs3)cs2)oc2c(F)cccc12 32718840 KPTSXULTZQBEPJ-UHFFFAOYSA-N 358.419 5.318 0 40 FKAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 32838767 JNBXOBVSAAMOSA-LJQANCHMSA-N 359.469 5.227 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)no2)cc1 46086268 STULBOAAPUUYNF-UHFFFAOYSA-N 350.418 5.081 0 40 FKAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72213447 HFZPQSYLGOYNSS-YLJYHZDGSA-N 367.493 5.156 0 40 FKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@H]2CCCC[C@@H]21 72302734 NEBSQZKNAQPTKP-VFNWGFHPSA-N 352.453 5.046 0 40 FKAB Cc1nc(CSc2nc(C)c(C)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)oc1C 107339238 DMSFXQNNEHBCHE-UBDQQSCGSA-N 359.539 5.394 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 216371155 TVJVYULGGDBIFG-PGRDOPGGSA-N 367.533 5.636 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465968 MIVFLHROUMALBM-UGKGYDQZSA-N 353.506 5.264 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1 224056555 FIYFHRLZLYSOGJ-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(Cl)cc1 224458237 ADWYVUOSJDWJII-NRFANRHFSA-N 367.876 5.010 0 40 FKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225845445 GDCBXQDDQBXZKJ-KRWDZBQOSA-N 361.404 5.028 0 40 FKAB CCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(C)cc1 408563634 VYQGSOCAOWJYSW-FCQUAONHSA-N 364.514 5.157 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccc(F)c1 408619453 CDWDLLSZKTZLKU-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Brc1cc(-c2nc3ccccc3s2)oc1Br 409188636 INVVFIPJEDITHP-UHFFFAOYSA-N 359.042 5.081 0 40 FKAB O=C(O)c1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 409189864 JMJSLUXTCUIJOE-UHFFFAOYSA-N 361.422 5.241 0 40 FKAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 995963 MVMGABNQKBEDLV-MDWZMJQESA-N 362.498 5.894 0 40 FKAB CC(C)c1ccc(O[P@@](C)(=O)Nc2cc(Cl)ccc2Cl)cc1 1262674 YVTSKQSIRZYROO-JOCHJYFZSA-N 358.205 6.431 0 40 FKAB COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H](C)C2CC2)cc1 3219895 HQLBPSSTWAUUMM-CQSZACIVSA-N 358.869 5.181 0 40 FKAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 3900879 BGBNOYSTESXOOC-UHFFFAOYSA-N 356.853 5.583 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(Oc2ccccc2)c1 4077595 DDELNUCSMKIXTD-UHFFFAOYSA-N 364.401 5.480 0 40 FKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1cccc(F)c1 4267155 UGLKHTJKUXSIMI-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB CCN(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 4785645 YQZJWOZCQJLDGZ-DNQXCXABSA-N 365.561 5.888 0 40 FKAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5455099 CUQXBPPKTXCGKG-UNMCSNQZSA-N 357.432 5.630 0 40 FKAB COc1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1 5788586 DUHVDDPJXNMSOY-UHFFFAOYSA-N 362.454 5.115 0 40 FKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)Oc1ccccc1 6169118 QXCRCCNGGOFQBT-MRXNPFEDSA-N 353.491 5.039 0 40 FKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccccc1 6208561 FCXGYSANNPFPFR-LJQANCHMSA-N 374.871 5.383 0 40 FKAB O=C(Nc1ccccc1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 6241174 JVBZYXPBDMJWPY-UHFFFAOYSA-N 362.376 5.005 0 40 FKAB CC(C)c1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 6346540 GZYGJGHWRISLBC-SFHVURJKSA-N 373.905 5.270 0 40 FKAB CCN(C(=O)NC1CCCCC1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 6462960 CDJBFACHPILJDU-AWEZNQCLSA-N 356.432 5.001 0 40 FKAB Cc1ccc(NC(=O)CSCc2csc(-c3cccs3)n2)cc1C 6585950 NJDHKFCUDQGJAN-UHFFFAOYSA-N 374.556 5.360 0 40 FKAB CCCCC(=O)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 6591904 AXAHMFAHFDKJNY-HNNXBMFYSA-N 350.462 6.137 0 40 FKAB C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 6931951 XASCQNCJNITWTH-KWJFTMPMSA-N 367.464 5.420 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 8499194 FGZPXHMDLLXWHF-UHFFFAOYSA-N 373.827 6.112 0 40 FKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)C(C)(C)C)ccc12 9659904 HGAHZDALMQOENN-UHFFFAOYSA-N 369.848 5.610 0 40 FKAB biogenic O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCc2ccccc21 10449001 WSADPALCIVBSJH-CAPFRKAQSA-N 359.856 5.470 0 40 FKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC(C)CC1 12794058 MDOOPDRDIXSHIB-UHFFFAOYSA-N 368.424 5.009 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c(C(C)C)c1 12991486 KLFDICHSCYALND-UHFFFAOYSA-N 364.489 5.313 0 40 FKAB CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1 13008525 JAYNRAOPGXNCCE-UHFFFAOYSA-N 370.880 5.139 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 20110233 BKJWTHVCDXVGFX-HNNXBMFYSA-N 374.720 6.156 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1Cl 20488974 WWELPQWMYBIXSF-INIZCTEOSA-N 352.261 5.406 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(SC)c1 20491341 MWBHPTMPEQMOCC-MRXNPFEDSA-N 351.924 5.571 0 40 FKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 20609915 KVYXRVSCCBMMBL-UHFFFAOYSA-N 370.456 5.105 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)C(C)(C)Oc1ccc(F)cc1 23120465 LJXYVOPGVYGPHI-UHFFFAOYSA-N 357.469 5.869 0 40 FKAB COc1ccc2nc(C(=O)Nc3c(C(C)C)cccc3C(C)C)ccc2c1 32868773 LEXILNBVMOFDLS-UHFFFAOYSA-N 362.473 5.743 0 40 FKAB CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CCc2ccccc21 32905295 LGKXRHOBYXSCHQ-DEOSSOPVSA-N 355.481 5.355 0 40 FKAB C[N+](C)(C)c1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 33376540 JOHBGQDLSZLLGM-SDXDJHTJSA-N 372.488 5.358 0 40 FKAB Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H]3c3ccsc3)n2)cc1F 40154242 AXAHUDQRZZTBHP-SUMWQHHRSA-N 357.454 5.144 0 40 FKAB Cc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1C 46914223 FTUKFJSXWAIVKH-UHFFFAOYSA-N 350.809 5.064 0 40 FKAB CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215733 CUSLBKXYDUYQFR-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118923786 QIKNIWLZQDIZOC-HKQCOZBKSA-N 366.633 7.970 0 40 FKAB biogenic CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1C 223011166 FZEKKZVWWZISQK-KRWDZBQOSA-N 352.261 5.406 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220430 SVIBIPTYWDDLKW-UZUQRXQVSA-N 373.496 5.363 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465524 SWAGHTVUODJJRW-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB Cc1cccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)O)c1 225130453 PESUNHKPIKDSQN-FQEVSTJZSA-N 364.466 5.221 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 225680809 YXPCEVIVSBWZCM-UHFFFAOYSA-N 373.496 5.997 0 40 FKAB CC1(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCCC1 225854948 VYWCYNPSGDVSBX-UHFFFAOYSA-N 350.837 5.368 0 40 FKAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1ccc(CNc2ccccc2)cc1 621894854 BNPOTHKKYWZQOO-CTNGQTDRSA-N 370.443 5.453 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 839048 LUXQJIBGRIAFPO-UHFFFAOYSA-N 373.496 5.269 0 40 FKAB Clc1ccc(OCc2nnc(SCc3ccccc3Cl)o2)cc1 856418 WYGFJUSXHNCWON-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@H](c1ccccc1)C1CCCC1 2183343 GTQRGAZXIVSGOU-RPWUZVMVSA-N 361.529 6.008 0 40 FKAB Clc1ccc(-c2nc3ccccc3n2OCc2cccc(Cl)c2)cc1 3052850 OOKDDVAIMYSJBD-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB O=C(Nc1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1 3087223 VGEIVYBSISWCHJ-UHFFFAOYSA-N 356.450 5.729 0 40 FKAB Cc1sc2ncnc(Sc3nc4cc(Cl)ccc4s3)c2c1C 3267896 SJVJUTGJVUZXPV-UHFFFAOYSA-N 363.920 5.722 0 40 FKAB Fc1ccccc1CSc1nnc(SCc2ccccc2F)s1 3622637 WJWZCHQYJDDKRN-UHFFFAOYSA-N 366.483 5.401 0 40 FKAB CSC1(SC)[C@@H](C(=O)Nc2cccc3c2[C@H](C)CC3(C)C)C1(C)C 4107567 UWPPUOHXVZXPPS-WBMJQRKESA-N 363.592 5.488 0 40 FKAB CSc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 4251156 LFKJLDZGSYRYHJ-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc(Cl)cc1 4733550 WTOHCBWXCIUFDS-UHFFFAOYSA-N 370.239 5.757 0 40 FKAB S=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 4816005 QULADXNNSUVHOD-UHFFFAOYSA-N 371.549 5.984 0 40 FKAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(C)cc1C 4849209 HUQRUGONKULQAM-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB CCc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)cc1 4982844 CVEHWIWCFQVNEH-UHFFFAOYSA-N 372.493 5.707 0 40 FKAB Cc1cc(C)c(C)c(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1C 5548305 GXNCMSCSJDGYGP-UHFFFAOYSA-N 362.469 5.403 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 5751225 RPKLZQLYODPWTM-NIRKWIOJSA-N 360.582 6.536 0 40 FKAB biogenic,in-vitro CC(=O)[C@@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 5834976 HVHYRVHDTSSVNF-UBFKPNPXSA-N 368.561 5.462 0 40 FKAB Cc1cc(OCC(=O)N[C@H]2CCCc3ccccc32)c(C(C)C)cc1Cl 5938545 XWOSEFNWPKZVRT-FQEVSTJZSA-N 371.908 5.344 0 40 FKAB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc21 6630230 JWMXNOZBRVHNIC-HZHRSRAPSA-N 370.496 5.618 0 40 FKAB Fc1ccc(CNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 7002265 IKZOWEIURQATMK-UHFFFAOYSA-N 353.397 5.249 0 40 FKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCc2ccccc21 7700124 AGHPOBCBFVSJRP-UHFFFAOYSA-N 363.844 5.122 0 40 FKAB CCOc1cc(CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1 8254515 MLZRUAOAAORGEB-UHFFFAOYSA-N 373.924 5.740 0 40 FKAB CCN1C(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Oc2ccccc21 9134722 HYUSWSMMUKSGMQ-UHFFFAOYSA-N 372.424 5.020 0 40 FKAB CC(C)NC(=S)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 16575456 ISTNCFOWMUNVEV-UHFFFAOYSA-N 368.449 5.591 0 40 FKAB Fc1ccc(OCc2csc(-c3ccsc3)n2)c(Br)c1 19357287 AZKSUOMOOUYBEP-UHFFFAOYSA-N 370.268 5.352 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 20039070 COMGOJVUUGDESX-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB Cc1ccc(OCCCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 20042563 VTICZPUMSDGLAY-VWLOTQADSA-N 373.496 5.368 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2cccc(OC)c2)cc1 27664303 CIDHDKXTSOOECM-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc4ccccc4c3)n2)cc1 32895369 BXZXCPHOPWLEHE-UHFFFAOYSA-N 371.440 5.024 0 40 FKAB CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 44087895 HMMZFXMKXBSDDB-UHFFFAOYSA-N 364.392 5.550 0 40 FKAB CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1 44699444 YCQBLTPGQSYLHD-VHXPQNKSSA-N 359.469 5.099 0 40 FKAB world Brc1cc(Br)cc(C23CC4CC(CC(C4)C2)C3)c1 57557737 ZGWGYYMJMULELD-UHFFFAOYSA-N 370.128 5.679 0 40 FKAB COc1ccc(N(C(=O)c2cc3ccccc3s2)[C@@H](C)C2CC2)cc1 58147339 BITYTKFFRXZKJO-AWEZNQCLSA-N 351.471 5.355 0 40 FKAB C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2o1)C1CC1 65551048 USMIHMMKGKAUSV-CYBMUJFWSA-N 360.379 5.572 0 40 FKAB Cc1nn(-c2cccc(Cl)c2)c2ncc(-c3ccc(Cl)cc3)c(N)c12 71405474 KIIBJCOZECLEFC-UHFFFAOYSA-N 369.255 5.285 0 40 FKAB COc1ccccc1-c1nc(CNc2ccc3nc(C)sc3c2)cs1 89729911 NSPUISOJGVGIOR-UHFFFAOYSA-N 367.499 5.349 0 40 FKAB CC1(C)CCC(C)(C)[C@@H]2CC3C[C@@H]4[C@@H](CC3C[C@@H]21)C(C)(C)CCC4(C)C 104084131 CCCFMUYCLQXOGW-LXIAHWLOSA-N 358.654 7.964 0 40 FKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C(C)C)c3C)N21 222692992 MARZADRDSJRWAX-NSISKUIASA-N 368.550 5.060 0 40 FKAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc2c(c1)CCCC2 223084264 GZCSQDOZPRUIFF-JOCHJYFZSA-N 351.490 5.234 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 225199114 JCLYPGFGDYQBQM-KRWDZBQOSA-N 373.496 5.776 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225588608 AZOFDGXZIQHPLT-UHFFFAOYSA-N 374.575 5.251 0 40 FKAB CC[C@@H](CNC(=S)Nc1cccc(OC(C)C)c1)Cc1ccccc1 225633018 TXCDMVLLWYHABU-QGZVFWFLSA-N 356.535 5.029 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1Cl 225712382 UVGITXNGBOKANL-UHFFFAOYSA-N 353.890 5.197 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)c1 225781961 WDSQDCWJHORMLM-AWEZNQCLSA-N 365.901 5.207 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247420888 REQSLCDUVILJAA-YJKZWKBDSA-N 353.849 5.335 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 253617258 PISMGMNRZZPIQZ-SQXBVBPSSA-N 360.538 5.310 0 40 FKAB CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 256109115 KRYOQEAJTHSPKQ-QYOOZWMWSA-N 366.718 9.668 0 40 FKAB CC(C)CCC[C@@]1(C)Oc2cc(CCC(=O)O)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265406 BERXZMGCZKPAPY-XHBDVGQISA-N 374.521 5.537 0 40 FKAB O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 712422 INZMTKUSQVYVDQ-OAHLLOKOSA-N 358.677 5.425 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 1386189 LLZFUQPAUJXDMD-SSDOTTSWSA-N 370.585 6.201 0 40 FKAB CCN(CC)CC[C@H]1CN(C(C)C)CC1(c1ccccc1)c1ccccc1 1569162 SZEYNVKHRPNYEN-DEOSSOPVSA-N 364.577 5.045 0 40 FKAB COc1ccccc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 2219215 NYWBXXHJXDQNRX-UHFFFAOYSA-N 373.481 5.235 0 40 FKAB Clc1cccc(Cl)c1C1=CN2C(c3ccccc3)=CSC2=NN1 2271351 IKLIXDLHBBZPSP-UHFFFAOYSA-N 360.269 5.213 0 40 FKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3CCO[C@@]34CCCC[C@@H]24)cc1 2335467 CKZZOIDHUAISOG-JBRSBNLGSA-N 357.497 5.360 0 40 FKAB CCCCOCCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 2404120 MFPNXDCFXCRMRM-UHFFFAOYSA-N 374.488 5.162 0 40 FKAB CC(C)c1nc2sc3c(N4CCCC[C@H]4C)ncnc3c2c2c1CCC2 2409687 BVQLTGLKVNKOKV-CYBMUJFWSA-N 366.534 5.230 0 40 FKAB Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2 2569972 FSPZPQQWDODWAU-UHFFFAOYSA-N 356.419 6.852 0 40 FKAB biogenic,in-vitro Cc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(Cl)cc1 2964176 KYCLSJVXORDAJJ-UHFFFAOYSA-N 353.830 5.545 0 40 FKAB Cc1ccc(-c2csc(-c3cc4cc(Cl)ccc4o/c3=N\O)n2)cc1 4903731 SRQWHARYHMFLDC-PYCFMQQDSA-N 368.845 5.475 0 40 FKAB CCOc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccccc2Cl)C1 5047195 IMIKTCOQLMCNMC-OAHLLOKOSA-N 369.679 5.484 0 40 FKAB biogenic O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(-c2ccccc2)cc1 5441678 JNKXKHZQEMUQPI-UHFFFAOYSA-N 370.452 5.123 0 40 FKAB CCCOc1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1 5475893 RZLPWVQEVLYPNJ-UHFFFAOYSA-N 361.441 5.160 0 40 FKAB Cc1ccc(C(=O)CSc2nnc(SCc3ccccc3)s2)cc1 6029622 CZISORHVDNGEKR-UHFFFAOYSA-N 372.540 5.114 0 40 FKAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)c1 6261176 GCFYWZHLNFPPQB-UHFFFAOYSA-N 371.358 6.058 0 40 FKAB Cc1ccc(C)c(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c1 6331266 GSEWYBILRCWFHA-UHFFFAOYSA-N 364.514 5.508 0 40 FKAB Cc1ccc(Cl)cc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 6966910 CCSQHAFITWCZKN-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 8051140 CANSTVSLQIFVQK-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 8920133 ZYNUOUIRKQVMRU-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB Cc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2c1C(=O)C[C@@H](C)C2 10156864 MBYRJLDFZHGROV-AWEZNQCLSA-N 359.429 5.086 0 40 FKAB Cc1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 11866431 CASSXIRIDJSWAI-UHFFFAOYSA-N 371.436 5.881 0 40 FKAB biogenic C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccccc1F 12848700 ICELTSHTKHOXGL-KUHUBIRLSA-N 354.450 5.037 0 40 FKAB CCOC(=O)Cn1nc(-c2ccc(C)cc2)c(Cl)c1-c1ccc(C)cc1 17075673 DQXUACNBOGHMGZ-UHFFFAOYSA-N 368.864 5.050 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccc3cccnc3c2)N1c1ccccc1 20428797 SAKVPLPIUHKJJU-QFIPXVFZSA-N 351.409 5.006 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20460954 TWZRDBXIBBARNY-UPVQGACJSA-N 373.496 5.367 0 40 FKAB Cc1nn2c(NCC(C)C)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799320 HAAVVWYUVOVUAG-UHFFFAOYSA-N 354.473 5.209 0 40 FKAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccccc1Cl 22072419 BGQAKPNUXJZWNL-UHFFFAOYSA-N 351.837 5.348 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1 27740338 BVOAFSHNMGUMKP-UHFFFAOYSA-N 365.498 5.611 0 40 FKAB Clc1c(-c2ccccc2)oc(-c2ccccc2)c1CN1CCOCC1 31628122 RMMUVYUNHPHWEI-UHFFFAOYSA-N 353.849 5.099 0 40 FKAB CCCCN(C(=O)c1sc2ncc(C(C)=O)cc2c1C)c1ccccc1 32814680 CZBXIIFVFRUNBR-UHFFFAOYSA-N 366.486 5.254 0 40 FKAB Cc1nc(S[C@H](C)C(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 32945183 OYMRWQYLUSKFPR-GFCCVEGCSA-N 368.527 5.242 0 40 FKAB Cc1ccc(C)c(CSc2nccn3nc(-c4ccccc4C)cc23)c1 38651963 FPCCPFVYECVZKS-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38849587 JVOHGABKUQQBMO-UHFFFAOYSA-N 356.897 5.277 0 40 FKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1Cl 48325321 LRAXGCJQQUIBLD-UHFFFAOYSA-N 367.257 5.579 0 40 FKAB CCOc1ccc([C@H]2CCCN2Cc2nc(-c3cccs3)oc2C)cc1 48341473 UUFOMYCIYZSALC-LJQANCHMSA-N 368.502 5.447 0 40 FKAB COc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 59472326 GXUKONHXPWSAEG-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB O=C(Nc1cccc(N2CCCCC2)c1)NC1(c2ccc(F)cc2)CCC1 63287591 DOMQMTURLJAQHT-UHFFFAOYSA-N 367.468 5.017 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)o1 70012940 WZCWMGXUTKRXFB-UHFFFAOYSA-N 350.462 5.221 0 40 FKAB Fc1cccc2c1SCC[C@@H]2NCc1cc(-c2ccccc2)cs1 84560169 JGIBGSUWWOQKEH-IBGZPJMESA-N 355.503 5.881 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 96636112 ZMLZIKAJBRRLML-UHFFFAOYSA-N 366.505 5.210 0 40 FKAB Cc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)c1 101217206 DEUMKACKPKWMTA-IFMALSPDSA-N 373.887 6.144 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 219655263 YLWABUSDYULUMF-UHFFFAOYSA-N 355.503 5.761 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1SC(C)C 219657215 GMEURKLYXYTGIZ-SFHVURJKSA-N 369.530 5.528 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccc(F)c1 224958529 QVOQBXYXZXPYQW-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB Cc1cc(C)cc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)c1 225138872 ACDYMVOBDSAVLI-QFIPXVFZSA-N 362.425 5.170 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C(C)C 225661520 PKZZIEDRMCZFPT-KRWDZBQOSA-N 367.533 5.916 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@H](C)C1 260814453 IJRROPUHENNOKO-AQOAWAETSA-N 361.526 5.486 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1Cl 408585958 KMULFMPLGYQANS-UHFFFAOYSA-N 372.679 6.078 0 40 FKAB CCCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1Cl 409113772 ISJZUFGFBFJTMK-UHFFFAOYSA-N 358.696 6.356 0 40 FKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccccc1 888321 LRFAFCGGADUGJX-UHFFFAOYSA-N 371.465 5.028 0 40 FKAB COc1ccccc1Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1466363 ASPURBMHBFWNLD-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB CN1C(C)(C)C[C@@H](CN2c3ccccc3Sc3ccccc32)C1(C)C 1726053 GNIWRJBESXYSHN-INIZCTEOSA-N 352.547 5.798 0 40 FKAB CCCOc1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)cc1 1836000 LAXUELNIJXBGHL-UHFFFAOYSA-N 361.489 5.466 0 40 FKAB Cc1cc(Oc2nc(-c3ccccc3O)nc3ccccc23)ccc1Cl 1874087 NQUJPWPOKPTJOT-UHFFFAOYSA-N 362.816 5.757 0 40 FKAB O=c1oc2cc3occ(-c4ccc5ccccc5c4)c3cc2c2c1CCCC2 2230184 YZVWXROAAMBSNK-UHFFFAOYSA-N 366.416 6.238 0 40 FKAB biogenic O=C(NC(Cl)=C(Cl)Cl)Nc1c(Cl)cc(Cl)cc1Cl 2577665 UOBXMCOARHIKJW-UHFFFAOYSA-N 368.862 5.611 0 40 FKAB COc1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1 2668911 WBGKELXNQFWHFU-UHFFFAOYSA-N 372.468 5.105 0 40 FKAB O=C(c1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 3242590 FDUWEUINIDYMNG-UHFFFAOYSA-N 372.276 6.437 0 40 FKAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 3357509 ZZRDTQXENSRHSZ-UHFFFAOYSA-N 363.360 5.186 0 40 FKAB Cc1cccc(NCc2nc3ccccc3n2CCOc2ccccc2)c1 3894911 XOJWOQPSASXMKN-UHFFFAOYSA-N 357.457 5.036 0 40 FKAB FC(F)(F)c1cccc(OCCCOc2cccc(C(F)(F)F)c2)c1 4037268 JAULKNWNVDEGCA-UHFFFAOYSA-N 364.285 5.572 0 40 FKAB CCc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4361222 ZZMAYUGCYSCZQN-UGKGYDQZSA-N 360.482 5.553 0 40 FKAB CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2ccc(C)cc2)s1 4880615 KRJHNIZEAXVRPU-UHFFFAOYSA-N 365.502 5.269 0 40 FKAB CC(C)c1ccc(O[P@@](C)(=O)Nc2ccccc2Br)cc1 5231189 BQSLPXMVGJIHKH-OAQYLSRUSA-N 368.211 5.886 0 40 FKAB CCCOc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 6274218 QTDBDWGWYAFWPI-PEZBUJJGSA-N 367.470 5.491 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1cc(Br)ccc1Cl 6619952 YGCQYIYAASCINT-UHFFFAOYSA-N 366.686 5.480 0 40 FKAB O=C(O)COc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 6886034 LWONDQGEXFONDS-KPKJPENVSA-N 361.422 5.083 0 40 FKAB Cc1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2)cc1 7525157 LHSJMTZWXJSYTG-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB COc1cc(NC(=O)c2ccccc2SC(C)C)c(OC)cc1Cl 8492685 FPUNTOOSPOTDSQ-UHFFFAOYSA-N 365.882 5.110 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(OC(C)C)cc2)cc1 8586661 POPLYGVPDALNJO-UHFFFAOYSA-N 365.498 5.691 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CC[C@H](C)C4 12633329 IUIKXWSYXJKZOV-HOTGVXAUSA-N 361.554 6.603 0 40 FKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(Cl)cc1Cl 14910396 JDWSWJRTVMWFRG-UHFFFAOYSA-N 374.271 5.322 0 40 FKAB O[C@](CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 20219107 KTCSCPRRKZKCIY-OAQYLSRUSA-N 372.295 5.019 0 40 FKAB C[C@H]1CC(=O)c2c(Nc3cccc(Cl)c3)nn(-c3ccccc3)c2C1 20671934 MLNMVUUDNHBHLH-CYBMUJFWSA-N 351.837 5.034 0 40 FKAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1cccc(Cl)c1 22072812 KNDITELACOIBDX-UHFFFAOYSA-N 351.837 5.348 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 22526096 FNMPTBOHDJQAQJ-OAHLLOKOSA-N 374.720 6.156 0 40 FKAB O=C(Nc1nc2c(s1)CCC2)c1sc2cc(Cl)ccc2c1Cl 25768096 MDSFLYHEILAXQN-UHFFFAOYSA-N 369.298 5.406 0 40 FKAB COC(=O)c1sccc1-c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)o1 33380804 KDOVFJRQMXHDTO-VURMDHGXSA-N 372.829 5.344 0 40 FKAB CCCc1nc(C)c(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1 40093121 NGEOOVKDTDKGKW-UHFFFAOYSA-N 371.531 5.397 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 48332440 HNGCWPIJHYYQMO-MRXNPFEDSA-N 353.224 5.502 0 40 FKAB Cc1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1 59094285 YPEWBFYQZSEBCE-UHFFFAOYSA-N 350.487 5.112 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351680 JYCHOMQKRFBVJI-UZLBHIALSA-N 359.897 5.300 0 40 FKAB COc1ccc(C2=N[C@H](c3cccs3)N=C(c3ccccc3)S2)cc1 59488728 KJUSIEFLEAKROQ-GOSISDBHSA-N 364.495 5.396 0 40 FKAB CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72214295 OIMWUIFMGIYFJZ-JOCHJYFZSA-N 371.484 5.217 0 40 FKAB Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 107915620 ADGMPUOGZXKZGA-FXAWDEMLSA-N 350.418 5.130 0 40 FKAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc4ccccc4s3)C2)cc1 208004411 PFITVSRXZBJWCJ-GOSISDBHSA-N 365.498 5.320 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccc(OC2CCCC2)cc1 218913468 KPEQUVXSLXBQCR-UHFFFAOYSA-N 361.441 5.179 0 40 FKAB C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(F)cc1 222693216 AETKMHDHHZNCMN-ZDUSSCGKSA-N 351.874 5.229 0 40 FKAB O=C(CSCc1ccccc1F)Nc1ccc(OC2CCCC2)cc1 222708649 BKDKSYWEQIIFIC-UHFFFAOYSA-N 359.466 5.019 0 40 FKAB O=C(Cc1ccccc1Cl)Nc1ccc(CSc2ccccc2)cc1 225435394 KRVQOMLQAKIBPM-UHFFFAOYSA-N 367.901 5.814 0 40 FKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225567853 OUPAFIQOINWZRU-UHFFFAOYSA-N 370.562 5.516 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225810116 TYRPLQIRYDXXHS-SEPYTNNBSA-N 369.505 5.551 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248339518 SZKXDQCXMWPTMG-BDIVZWSOSA-N 361.485 5.387 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl 408628872 FPIMUFVQOHZNIR-OAHLLOKOSA-N 372.896 5.370 0 40 FKAB Cc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 409111699 BZYPYBHSCSMEQD-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(C)cc3)cc2Cl)cc1 409120223 SMHNWUZSMOFBJR-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 1504239 FVIMOMLDPDHJOL-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB C1=C(c2ccccc2)n2c3c(c4ccccc42)CCC[C@@H]3[C@@H]1c1ccccc1 2258803 VYGMBWDXVZDEIU-RPWUZVMVSA-N 361.488 6.748 0 40 FKAB Cc1ccc(NC(=O)CS[C@H](C)c2ccccc2Cl)c(Cl)c1 2656150 ZQNHGHCSQNIVAR-GFCCVEGCSA-N 354.302 5.735 0 40 FKAB Cc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4)cc2-3)cc1C 2690087 JMOZKMGMVMBSSP-UHFFFAOYSA-N 363.464 5.868 0 40 FKAB CCOc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 3567056 YHQYCGJEHXKFFS-UHFFFAOYSA-N 361.397 5.246 0 40 FKAB biogenic CSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 4251157 QKMACHFRAIRHDW-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Oc2ccccc2)c1 4678413 VLHQZWYZTRYBPF-UHFFFAOYSA-N 373.431 5.631 0 40 FKAB C(=C1\CCC[C@@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1)\c1ccco1 4887028 YKWQHZUENZGCQI-COAPWLGFSA-N 354.453 6.081 0 40 FKAB CCc1cccc(C)c1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 5403797 NZGAFCQYSBWWFX-CMDGGOBGSA-N 371.864 5.024 0 40 FKAB CC1(C)C[C@@](CCNCc2ccco2)(Cc2ccccc2Cl)CCO1 5478527 ZBENECJIVXXBGM-OAQYLSRUSA-N 361.913 5.231 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc2ccccc12 5681854 QWFMEGFXMXZJLZ-UHFFFAOYSA-N 365.476 5.792 0 40 FKAB Cc1ccc(C)c(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)c1 5793862 KUCWGDQUQKWPSR-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6168282 KCCRHWBPIJZZGL-GNNXKABYSA-N 369.549 5.300 0 40 FKAB COc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1Cl 6303142 AWNKDARHLXNWQQ-UHFFFAOYSA-N 370.301 5.513 0 40 FKAB CCC(=O)c1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12 6308282 UVNHWBOXQBFKRQ-UHFFFAOYSA-N 356.425 5.026 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)cc1 6479723 UQOAWSLIUPQJKU-UHFFFAOYSA-N 366.844 5.584 0 40 FKAB C[C@H]1CCCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 6602249 WVRAAQMODPRRCX-HNNXBMFYSA-N 374.937 5.162 0 40 FKAB CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(C)c4ccccc43)c2c1 6964600 IEQKKUVRCIKKOM-RCCKNPSSSA-N 373.452 5.154 0 40 FKAB Cc1cc(O)c2c(c1)C[C@H]1[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 8615952 PAYRXRMDYUKQEC-WPCHUGEVSA-N 352.518 5.326 0 40 FKAB COc1cc(C)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC 8688022 BRDLQJYNKASWSW-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1Cl 9015290 NYFYYWPHORNXOP-SFHVURJKSA-N 373.880 5.347 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120088 ORZMIVDBDWWKPT-SDNWHVSQSA-N 354.409 5.071 0 40 FKAB COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccccc3OC)c2c1 11866413 USAVENALPPEILB-UHFFFAOYSA-N 373.408 5.369 0 40 FKAB biogenic COc1cccc(-c2nc(Oc3cccc(C)c3C)c3ccccc3n2)c1O 13122759 MEEZGWNRFNKLSC-UHFFFAOYSA-N 372.424 5.420 0 40 FKAB Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1 16249875 WIKFPXYJDIFCQW-UHFFFAOYSA-N 357.403 6.669 0 40 FKAB CCOC(=O)CCn1nc(-c2cccc(C)c2)c(C)c1-c1cccc(C)c1 17074607 LUILMASSTSMRKL-UHFFFAOYSA-N 362.473 5.096 0 40 FKAB Clc1ccc(OCCCCNCc2ccccc2Cl)c(Cl)c1 19737602 YQBOIHAEFINMOK-UHFFFAOYSA-N 358.696 5.596 0 40 FKAB COc1ccc(-c2cc(NC(=O)CCC(C)C)ccc2OC(F)F)cc1 22699838 FKIQSMCHTDWEBX-UHFFFAOYSA-N 363.404 5.338 0 40 FKAB CCN(C(=O)CC(C)C)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27992391 PPPYFVSKSFBIQJ-HSZRJFAPSA-N 364.489 5.161 0 40 FKAB C[C@@H](c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)N1CCCC1 31673114 JYLXDTRVBITDJY-HNNXBMFYSA-N 351.881 5.789 0 40 FKAB O=C(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1ccccc1 32101336 UQNVLPQNWUDLTL-UHFFFAOYSA-N 369.298 5.131 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1 32598910 GUDBYBFGPSFJQM-UHFFFAOYSA-N 356.466 5.304 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CCC2=O 34596096 NIXXKMPUWREKQR-WWFRSJGNSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro CCCc1ccc(OCc2ccc(C(=O)N([C@@H](C)CC)[C@@H](C)CC)o2)cc1 36611220 PDBDTXDDABIHFJ-ROUUACIJSA-N 371.521 5.850 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 44880585 DMSNWFKZDVYZTA-UTKZUKDTSA-N 353.506 5.327 0 40 FKAB CCc1ccc(-c2nc(CN[C@@](C)(CC)c3nc(C)cs3)cs2)cc1 72305288 MNMVSZFBQDCTJX-FQEVSTJZSA-N 371.575 5.552 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@H](c2ccccc2)C1 100436116 CJMLTCWOOVFDEU-UUOWRZLLSA-N 367.452 5.711 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)Nc2ccc(Cl)c(Cl)c2)C1 100984443 KFGHSKGKPPWWMO-PXAZEXFGSA-N 357.350 5.591 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)c(C)c1 219299520 BOEIUUUWTFMDIV-RXVVDRJESA-N 353.506 5.462 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1C 223133228 DPNIEPVSLFBXCK-NRFANRHFSA-N 351.490 5.154 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1 223305427 BSGZHZHINBRTRX-KRWDZBQOSA-N 363.567 5.068 0 40 FKAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 224857154 HWIXJBPHQUVFIW-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCCCC2)cc1 225558260 GBSMXBIWDITINT-UHFFFAOYSA-N 367.489 5.323 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225695552 NKDVVOILPBZXLB-GOSISDBHSA-N 363.542 5.670 0 40 FKAB CCOc1ccccc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 225809986 ZYIKHECTGDMPBK-UHFFFAOYSA-N 372.509 5.023 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248031280 QMVCEBOCNCJYHR-YJPCQTTLSA-N 361.485 5.387 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)/C(=C\c3ccccc3)C[C@H]12 253498558 LZOCUXGUHLCYSF-DPVCXJOWSA-N 364.573 6.474 0 40 FKAB biogenic CC(=O)N[C@@]1(C)C[C@H](c2cccc3ccccc23)O[C@@H]2C[C@H](C)CC[C@H]21 257307855 TUKBRKLMHZTCCQ-XTSSOZKMSA-N 351.490 5.001 0 40 FKAB CCc1ccccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408619051 FRVVSUBGCOHWEH-UHFFFAOYSA-N 368.889 5.182 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1 408619290 AZDUHWUHWISNRO-UHFFFAOYSA-N 366.505 5.210 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccs1 408624621 YFUAXOFVABTVOQ-UHFFFAOYSA-N 372.808 5.601 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 625138 LCZOWHOFLGXOCO-UHFFFAOYSA-N 350.270 6.077 0 40 FKAB O=C(c1ccccc1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882140 DYWDFAFCUVNDPG-UHFFFAOYSA-N 360.438 5.250 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(-c2ccc(Br)cc2)o1 1012738 XLCGUZWSULAUJG-UHFFFAOYSA-N 360.182 5.101 0 40 FKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2cccc3cccnc23)c(C)c1 1049891 ANNFCRHSABBCOJ-INIZCTEOSA-N 350.487 5.279 0 40 FKAB CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2ccccc2C)cc1 1055352 YPBCBPSOVXPBKK-UHFFFAOYSA-N 370.518 5.033 0 40 FKAB N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(Cl)cc1 1323868 FNKVOJKTFIFPEC-UHFFFAOYSA-N 356.809 5.332 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 1593575 VXIRFFIPWDAJRD-UHFFFAOYSA-N 355.220 5.455 0 40 FKAB Brc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 1700107 PESQPPCLVABNSP-UHFFFAOYSA-N 366.302 5.652 0 40 FKAB COC(=O)N1CCCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 2151195 WCXASEZTVLKGBQ-NRFANRHFSA-N 366.505 5.539 0 40 FKAB biogenic CC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N 2256130 MGGYNJMVZAACDV-UHFFFAOYSA-N 368.458 5.616 0 40 FKAB CCCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21 2401734 IDKPMWXRCBEYSL-UHFFFAOYSA-N 364.474 5.007 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 2637501 QUMOSICKLJFFAU-UHFFFAOYSA-N 365.476 5.792 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 3121718 SCSXOVDCRKVFON-SANMLTNESA-N 369.508 6.130 0 40 FKAB CCOC(=O)c1c(C)oc2ccc(OC(=O)Nc3ccc(Cl)cc3)cc12 3216774 BRYGQZSNRKODQP-UHFFFAOYSA-N 373.792 5.182 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1F 3257006 MNCQCKRPQNAWKZ-UHFFFAOYSA-N 364.751 5.029 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 3419915 GJYBDSUBCSNSCQ-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB c1ccc(-c2csc(SCc3nnc(-c4cccs4)o3)n2)cc1 3439725 SMFWOSSJWBELGM-UHFFFAOYSA-N 357.485 5.214 0 40 FKAB CCCCc1cc(-c2cccs2)c(CCCC)cc1-c1cccs1 4114316 XCAVGRBZSYCJPM-UHFFFAOYSA-N 354.584 7.829 0 40 FKAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 4188622 RMRXQMJYTCLSLE-UHFFFAOYSA-N 364.514 5.774 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 4749064 OCSCYJPBRZICQX-UHFFFAOYSA-N 367.404 6.000 0 40 FKAB c1ccc([C@H]2C3=C(c4ccccc4CC3)N3CCO[C@]34CCCC[C@H]24)cc1 4899208 CKZZOIDHUAISOG-CUYJMHBOSA-N 357.497 5.360 0 40 FKAB CC(=O)c1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 5930996 APSLANGXNQDLRJ-UHFFFAOYSA-N 374.509 5.288 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3c(C)cccc3C(C)C)sc2c1 6279390 QGVVYEOXLMVMLG-UHFFFAOYSA-N 357.906 6.547 0 40 FKAB CC[C@H](COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1 6412530 CCXSAEHBOIKXRL-OAQYLSRUSA-N 365.517 5.063 0 40 FKAB O=C(Nc1ccccc1Br)[C@@H](c1ccccc1)C1CCCC1 6890233 OCYFKKAMEWNDKC-SFHVURJKSA-N 358.279 5.362 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 6890488 AIEQJIBEPPMXSL-LJQANCHMSA-N 359.922 5.406 0 40 FKAB CC(=O)c1cccc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1 8060990 MSJBGOIJVVVUNA-UHFFFAOYSA-N 370.861 5.227 0 40 FKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCc1ccccc1 12743675 HWWCQHNUKZVDTH-UHFFFAOYSA-N 374.315 5.145 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(/C(C)=N/O)=CC[C@H]32)C1 13562918 RXZQACCASWKYSX-LWBBAZFWSA-N 373.537 5.347 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 13710467 XMAXXEGQJJTBMK-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB Fc1cc(Br)ccc1NC(=S)Nc1ccc(Cl)cc1 13788472 PVMXHWPWAMTKEQ-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1 17309591 VXECLIOZHQIARP-MRXNPFEDSA-N 364.876 5.443 0 40 FKAB CC(C)n1c(CN(Cc2ccccc2)Cc2ccncc2)nc2ccccc21 19454726 NRFYQNFXLVWKHD-UHFFFAOYSA-N 370.500 5.215 0 40 FKAB Clc1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716562 PTSGIYDZVYWRDZ-RPWUZVMVSA-N 371.867 6.263 0 40 FKAB CCCC(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 35319430 QBAAYYOBZLCSKH-UHFFFAOYSA-N 355.438 5.431 0 40 FKAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(C)cc2C)ccc1O 35616384 IAQLDHLOOAPZGE-UHFFFAOYSA-N 373.456 5.384 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCSc2ccc(Cl)cc21 40071152 CDUVEHVIDHYFPW-UHFFFAOYSA-N 370.861 5.056 0 40 FKAB CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCNC2)c(Cl)c1 42771139 JZEGCHZJZQHBCY-KRWDZBQOSA-N 357.925 5.434 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(-c2ccccc2)cc1 44781785 COYPWENKIPUAMQ-UHFFFAOYSA-N 362.432 6.240 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(C)c1 44847027 XJZCRSFFUDZYTC-HSZRJFAPSA-N 361.485 5.055 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 59210341 PSBQEUXTQFTACI-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3cccc(F)c3)cc12 65033784 PFCYXECZNKIRFV-UHFFFAOYSA-N 372.399 5.302 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CCC 72214756 UUJWQFUQRFNTGO-GOSISDBHSA-N 361.530 5.170 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CCC)cn1 72214980 LZFPWXSQPQBGRK-GOSISDBHSA-N 361.530 5.170 0 40 FKAB CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215521 MUPBHBQYRMVAMF-IBGZPJMESA-N 373.541 5.313 0 40 FKAB COC1C[C@H]2CC[C@H](C1)C2C(=O)N1c2ccccc2C=Cc2ccccc21 104723539 KWPDRIQPPFKLTA-SSPASSIJSA-N 359.469 5.286 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219069470 GVYJKGPQFHIRFG-KRWDZBQOSA-N 353.462 5.031 0 40 FKAB CSc1cccc(NC(=O)c2cc3cc4ccccc4nc3s2)c1 223131561 KQPCRELVBHFHTP-UHFFFAOYSA-N 350.468 5.424 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223492345 JUPIYJMMPUQLKS-PZJWPPBQSA-N 353.506 5.264 0 40 FKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COC(C)C 224714867 BXWFEQRGPRKUOW-UHFFFAOYSA-N 355.478 5.133 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 224966464 KMRGGKHUHXVMEA-IBGZPJMESA-N 372.896 5.126 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225552845 RSQQAZLUGWBPTD-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)cc1 225663342 QNDOTKAEYWFXLH-HXUWFJFHSA-N 355.478 5.017 0 40 FKAB Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)o1 253528868 ZMDCSLTVAOWENP-LKWIBNMWSA-N 368.561 6.375 0 40 FKAB biogenic COc1ccc(-c2csc(=Nc3ccccc3)n2-c2ccccc2)cc1 254301621 WSOOFVQQOJRHLQ-UHFFFAOYSA-N 358.466 5.447 0 40 FKAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)nn2)c1 408527711 HEWVXCKKQQNDIG-UHFFFAOYSA-N 373.239 5.286 0 40 FKAB Cc1ccc(-c2n/c(=N\C3CCCCC3)sn2Cc2ccccc2)cc1 1740816823 WOAXXRQKUXCLJT-GHVJWSGMSA-N 363.530 5.202 0 40 FKAB Cc1cc(C)c2c(N)c(C(=O)N(c3ccccc3)c3ccccc3)sc2n1 689556 KQJIBZUBTSKQQM-UHFFFAOYSA-N 373.481 5.474 0 40 FKAB O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccccc1 826953 JDTDDIGNQWTQCT-UHFFFAOYSA-N 368.461 5.634 0 40 FKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3C)nc2c1 1505841 AJTXVRUXCBQIFS-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB COc1cc(NCCCN(CCC(C)C)CCC(C)C)c2ncccc2c1 1656154 FQFFHYKRIDVWGP-UHFFFAOYSA-N 371.569 5.440 0 40 FKAB Cc1nc(SCCOc2ccc(C(C)(C)C)cc2)c2ccccc2n1 2052226 YDKRJFCSQAXQNM-UHFFFAOYSA-N 352.503 5.407 0 40 FKAB C[C@H](C(=O)OC/C=C/c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 2061788 YQDCBKOZTABFIV-DLENHJPASA-N 370.448 5.278 0 40 FKAB CCCCCSc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2281959 ZTXYEGLDWPNDOU-UHFFFAOYSA-N 371.575 5.963 0 40 FKAB Cc1c(-c2ccc(Cl)cc2Cl)c(=O)oc2c(Cl)cc(Cl)cc12 2576869 UYWBRDJWCHYHFI-UHFFFAOYSA-N 374.050 6.382 0 40 FKAB biogenic O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 2742149 VWRXRCSDQUSMHK-UHFFFAOYSA-N 372.855 5.485 0 40 FKAB c1csc(-c2nc(N[C@@H]3CCCc4ccccc43)c3ccccc3n2)c1 3340856 NBCOUXWOSHFNIH-GOSISDBHSA-N 357.482 5.848 0 40 FKAB Cc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1C 4664705 OOTWGSXPUSDNRN-JWGURIENSA-N 368.436 5.126 0 40 FKAB Cc1nc(SCC(=O)c2c[nH]c3ccccc23)n(C2CCCC2)c1C 5090024 ZSDQQJTUBGFTPE-UHFFFAOYSA-N 353.491 5.071 0 40 FKAB COc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1Cl 5203051 KFCNRESZSQCZPP-UHFFFAOYSA-N 366.269 5.777 0 40 FKAB COc1ccc(-c2c(-c3ccc(OCC=C(C)C)cc3O)n[nH]c2C)cc1 5343552 RUSRKNOFCVDTQC-UHFFFAOYSA-N 364.445 5.111 0 40 FKAB Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccccc1F 6960127 QEFWDDSXPHQOCC-UHFFFAOYSA-N 372.468 6.414 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(C)c(F)c2)c(Br)c1 7351772 RBGVJACVARYQKZ-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB Cc1cc(SCc2nc(-c3ccsc3)no2)nc2c(C)cccc12 7833704 YWANMAYGARQFEI-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1 7844967 ZYQQYHSMRRYBOW-UHFFFAOYSA-N 366.530 5.101 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)cc1 10978788 MPXAFUUUOITVIK-GFCCVEGCSA-N 372.515 5.070 0 40 FKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1oc2c(Cl)cccc2c1C 12526879 PCLPRASZRUPRBA-UHFFFAOYSA-N 368.864 5.556 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](Cc1ccccc1)c1ccccc1 13405751 XWATVSSARMZAFX-JFTIXFDTSA-N 364.529 6.017 0 40 FKAB biogenic CCn1c(S)nnc1-c1cc(-c2ccc(C)cc2C)nc2ccccc12 17074299 YAUBPTTZSFEUSR-UHFFFAOYSA-N 360.486 5.086 0 40 FKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccccc2)C1 19863929 WPCVPWILDDZHGN-UHFFFAOYSA-N 371.436 5.449 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1 20428298 CPDKYMGFNRBPLI-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc2ccccc2n1 25929274 FGUQWAPTXLXYEU-UHFFFAOYSA-N 355.397 5.020 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3oc4cc(C)cc(C)c4c3C)on2)cc1 27580564 NUXRILDBKUTDSI-UHFFFAOYSA-N 360.413 5.574 0 40 FKAB COc1ccccc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 27662778 KCWPCHAWXSXJOQ-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1c(C)cccc1C(C)C 30858751 TWDWORLBPUOAIA-NRFANRHFSA-N 361.485 6.068 0 40 FKAB Brc1ccc(-c2cc3cc(Br)ccc3o2)cc1 39299304 QPTFSRLJKIACCB-UHFFFAOYSA-N 352.025 5.625 0 40 FKAB O=C(Nc1ccccc1SC(F)F)N1CCC[C@@H]1c1cccc(F)c1 56564706 WVJCSQOZHSIFSQ-OAHLLOKOSA-N 366.408 5.509 0 40 FKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2nc(C)c(C)nc2c1 71844317 PJRFFRWOPQMPKG-NZQKXSOJSA-N 373.500 5.045 0 40 FKAB Cc1[nH]c(-c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)nc1-c1ccccc1 95468324 ZGDFCJDHKPBRFI-UHFFFAOYSA-N 372.428 5.368 0 40 FKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)c1C 96037267 FEWSWQADMKPZNN-UHFFFAOYSA-N 359.473 5.583 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@@H](c2ccccc2)C1 100436121 CJMLTCWOOVFDEU-KOSHJBKYSA-N 367.452 5.711 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(C)cc1C 222558932 ULSLYVFKYYLRNE-FDDCHVKYSA-N 365.517 5.217 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 225843755 YWHOEWABYKRNBI-UHFFFAOYSA-N 373.827 5.157 0 40 FKAB CCOc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1 225848243 AKWOOUQDNGIXNC-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB Fc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c(F)c1 225857520 CEAGBMZRJHSWNY-UHFFFAOYSA-N 360.473 5.197 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 260658741 BBDWRIDJCXOXPZ-ZWOKBUDYSA-N 368.571 5.454 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408585721 HOLRJCOPURFFBZ-UHFFFAOYSA-N 371.786 5.790 0 40 FKAB COc1c(C(=O)Nc2ccccc2C)cc2ccccc2c1Br 408619244 AOVPOWKZAHTYET-UHFFFAOYSA-N 370.246 5.172 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 408623970 VXPDKYQNLQRKPN-UHFFFAOYSA-N 367.276 5.101 0 40 FKAB Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cs1 409088742 XVNXVNWYHMMJRW-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCC(C)C 409115921 IMGPGHCYRYYJHI-UYRXBGFRSA-N 365.473 5.027 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 409119499 PVRIWCDBESPILQ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccco1)c1ccccc1 409255546 LYKNLUIQZQFQKZ-FOWTUZBSSA-N 358.224 5.766 0 40 FKAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc2ccccc2c1 409373642 XBISFAHOCPJTNH-UHFFFAOYSA-N 368.436 5.026 0 40 FKAB Cc1ccccc1C[C@@]1(C)CCc2cc(-c3cccc(C(=O)O)c3)ccc2O1 585265878 USCRTATXOFWVDP-RUZDIDTESA-N 372.464 5.687 0 40 FKAB CC[C@@H](Oc1ccccc1C)c1nnc(C2(c3ccccc3)CCCC2)o1 1615586301 MFVSFHVXOKXBPP-LJQANCHMSA-N 362.473 5.768 0 40 FKAB COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 841482 SKZJXEQLDXAKCD-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB CNC(=O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1385546 RSUMKWOPGXQGBJ-UHFFFAOYSA-N 363.269 5.144 0 40 FKAB CCCCN(CCCC)P(=O)(Oc1ccccc1)Oc1ccccc1 1562431 LXYHZOHBLJTVPY-UHFFFAOYSA-N 361.422 6.155 0 40 FKAB Cc1cc2oc(=O)cc(-c3oc4c(Cl)cc(Cl)cc4c3C)c2cc1C 2156890 LKVVGDFVLKEQHK-UHFFFAOYSA-N 373.235 6.438 0 40 FKAB biogenic O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl 2637446 ZRQPWQVGQYPFRX-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB CC(C)c1ccc(CCNC(=O)c2ccccc2CCc2ccccc2)cc1 3426247 WIQDBCFRCCDELL-UHFFFAOYSA-N 371.524 5.568 0 40 FKAB O=C(c1ccccc1)c1cn(CCCOc2ccccc2)c2ccccc12 3648882 HSZFDWMTCHKFMK-UHFFFAOYSA-N 355.437 5.341 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1Cl 4703868 PYWPKWNSVMHLBD-UHFFFAOYSA-N 352.777 5.302 0 40 FKAB c1ccc(COc2ccc(NCc3csc(-c4ccccc4)n3)cc2)cc1 4869216 XPOLVIHEBFCPHI-UHFFFAOYSA-N 372.493 6.001 0 40 FKAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4892169 FSHOANKMSHEYES-UHFFFAOYSA-N 352.478 5.365 0 40 FKAB CC(=O)Nc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1 5520782 DAQOMLHHPZCNJI-UHFFFAOYSA-N 359.351 5.264 0 40 FKAB CCCCc1ccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)cc1 5552937 JJEYMSQHMOIWEM-UYRXBGFRSA-N 365.454 5.083 0 40 FKAB CC(C)(CCC(C)(C)N1O[C@H]1c1ccccc1)N1O[C@H]1c1ccccc1 5845529 ZVYPDPQJQPXXNB-CSKPTYFESA-N 352.478 5.216 0 40 FKAB CCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC 6595450 UJSYXHAHIZAZGO-UHFFFAOYSA-N 355.821 5.153 0 40 FKAB Cc1cc2sc(NC(=O)c3cc(Cl)ccc3Cl)nc2cc1Cl 6826362 MMICZGIOZLUGGV-UHFFFAOYSA-N 371.676 5.817 0 40 FKAB CCN(CC)Cc1ccccc1CNC(=O)Nc1cccc2ccccc12 11006171 YTXBMDZPLVJVQH-UHFFFAOYSA-N 361.489 5.003 0 40 FKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3ccccc3Cl)c2n1 12970529 VBKKWOJGPKKSQK-UHFFFAOYSA-N 352.648 6.082 0 40 FKAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13648287 RHEAGKWLKWQVHL-MRXNPFEDSA-N 371.546 5.103 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 13931412 HDADOCGXLHWHIM-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB c1ccc(-c2csc3ncnc(N[C@@H]4CCOc5ccccc54)c23)cc1 14160634 MLBJZQPQGSKESY-QGZVFWFLSA-N 359.454 5.294 0 40 FKAB COc1ccc2cc(CN(C)Cc3cccc(Cl)c3)c(Cl)nc2c1 14672844 ZMLHKHRYMBWANO-UHFFFAOYSA-N 361.272 5.182 0 40 FKAB CCc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 17198181 XGLRTFOYVXLCDT-KRWDZBQOSA-N 351.393 5.046 0 40 FKAB c1ccc(-c2ccc(CNc3ccccc3OC[C@@H]3CCCO3)cc2)cc1 19737586 HWFNIMULSCQJNV-QFIPXVFZSA-N 359.469 5.524 0 40 FKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 20036258 RDBBUOFNAWJGAN-QGZVFWFLSA-N 363.482 5.552 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20104883 SFXHNIWZAMELKQ-HXUWFJFHSA-N 364.533 5.026 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 20971279 YSFULFBZZDNYTI-UHFFFAOYSA-N 372.424 5.318 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 21706745 XIVFYCNMPNQQMR-UHFFFAOYSA-N 354.409 5.569 0 40 FKAB Clc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1Cl 22852734 LCFUPXYGWYPSEN-AWEZNQCLSA-N 360.288 5.249 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 22996473 GQMZZBFBPOUHCO-UHFFFAOYSA-N 368.664 5.025 0 40 FKAB CCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 27584616 IQVNTDXODQPGNZ-UHFFFAOYSA-N 355.434 5.133 0 40 FKAB CCc1ccc([C@H](NC(=O)c2ccc(C(C)=O)s2)c2cccs2)cc1 29429107 QDHAKGNZRJYLLB-IBGZPJMESA-N 369.511 5.094 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 32623239 BHRDVBVOLCSKMA-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1 32962867 FNVSGXYZFOYNEL-RDJZCZTQSA-N 360.379 5.172 0 40 FKAB Cc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1C 33262437 AVQBJFQODVCWNP-UHFFFAOYSA-N 374.469 5.103 0 40 FKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2cccc(O)c2)c2ccccc21 103960217 SWLZYQSVNAPVMM-QFIPXVFZSA-N 357.434 5.643 0 40 FKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C 118926164 BEDPXTVFPSLUPA-CVSNRTSLSA-N 372.593 6.401 0 40 FKAB COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 169679625 SOLFGTIEYURABM-WPTOEGHWSA-N 361.557 5.467 0 40 FKAB CCCCc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222584994 JVUXAMNTFKFIRO-UHFFFAOYSA-N 363.436 5.186 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223097303 ZTERZWLWDRZTKE-YADHBBJMSA-N 365.517 5.299 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2OC(C)C)cc1C(C)C 223354937 UQNNDBNZBIPKFD-QGZVFWFLSA-N 369.505 5.405 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1C(C)C 223368918 JMEUAHJSBSJBSB-AWEZNQCLSA-N 360.885 5.663 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 225682388 LSXHKWSOCOVICH-UHFFFAOYSA-N 363.432 5.438 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C)n1 225860531 MKSBMKJBLHECDG-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCCCC1 225899746 CNXVLISQYHDEDD-UHFFFAOYSA-N 370.493 5.090 0 40 FKAB C[C@@H]1CCCN(C(=O)c2ccc(COc3cccc4ccccc34)cc2)C1 673062 XWPDRMHCZYSUAO-GOSISDBHSA-N 359.469 5.291 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1Cl 802277 OZQLNOWNBMHQNF-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 951397 RUTXJTVTRVUUFN-UHFFFAOYSA-N 372.251 5.678 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Cl)cc3)N=C(O)CCN21 1254487 SCDRCBGQKHIIGQ-RSNBEDGSSA-N 366.892 5.516 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(Cl)c3)N=C(O)CCN21 2438226 BXZKYBFBJGFHHF-CRWWQRIJSA-N 366.892 5.516 0 40 FKAB Clc1ccc2c(Sc3ccc(Br)cc3)ccnc2c1 3453542 YTFMKBASYZRXBX-UHFFFAOYSA-N 350.668 5.802 0 40 FKAB Cc1cc(F)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 3455879 DEEXVRQALKDXQQ-UHFFFAOYSA-N 356.224 5.239 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1 3907692 ZOVHQOBHOPCQLV-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)s1 4034028 KJMICRAWHDJGTO-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB Cc1nc(N2CCC(Cc3ccccc3)CC2)c2oc3ccccc3c2n1 5179992 QZXQFWHDTQJLSE-UHFFFAOYSA-N 357.457 5.144 0 40 FKAB COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)c(Cl)c3)cn1CC2 5272602 PZSYJQMCMNAZIG-UHFFFAOYSA-N 374.267 5.702 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 5675839 ZKUNRAAFTSBVNR-UHFFFAOYSA-N 367.619 5.198 0 40 FKAB O=C(O)/C(=C/c1ccc(Cl)cc1Cl)Sc1nc2ccccc2o1 7603016 UAJIVLWXQDDQSU-AUWJEWJLSA-N 366.225 5.352 0 40 FKAB O=C(CCSCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 7685922 DKLMGWFHLQICNM-UHFFFAOYSA-N 363.482 5.741 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1)C1CC1 8042058 SMSDNFMDGZQPFE-UHFFFAOYSA-N 356.397 5.104 0 40 FKAB CC[C@@H]1c2ccsc2CCN1c1nc(-c2cccnc2)nc2ccccc12 8324339 VPJSRZSXBLFLHM-LJQANCHMSA-N 372.497 5.267 0 40 FKAB Cn1c(-c2c(-c3ccccc3)n[nH]c2-c2ccccc2)nc2ccccc21 12546540 YXHRETFRTAJNFV-UHFFFAOYSA-N 350.425 5.297 0 40 FKAB COc1ccc(Oc2nnc(-c3ccc4c(c3)CCC4)c3ccccc23)cc1 12952255 BXEPMKYTRUUCIT-UHFFFAOYSA-N 368.436 5.586 0 40 FKAB C[C@@H]1CSc2n1c(-c1ccccc1)c[n+]2-c1cccc(C(F)(F)F)c1 15961064 RDKOIBFYQJHVRZ-CYBMUJFWSA-N 361.412 5.117 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 20105905 XRGFYMMEDVQUFH-FQEVSTJZSA-N 370.279 5.821 0 40 FKAB CCCCOc1ccccc1-c1cc(-c2nc(-c3cccc(C)c3)no2)[nH]n1 20986678 MHVPETAICKCKJR-UHFFFAOYSA-N 374.444 5.281 0 40 FKAB COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCCCC2)cc1 22757185 YJEXGPDYVPNFMT-UHFFFAOYSA-N 371.868 5.360 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C 30860331 IPIZVRCZYLMVLX-NSHDSACASA-N 372.679 5.670 0 40 FKAB CCCCc1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 32118819 RFIXSZBUJSBYMA-UHFFFAOYSA-N 374.893 5.310 0 40 FKAB Fc1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1 33298153 RBNQYLKMJXDHAW-UHFFFAOYSA-N 371.824 5.243 0 40 FKAB C[C@@H](Sc1ccc(Br)cc1)c1nc(-c2cccs2)no1 40071064 VDKGXHPPIDIAQO-SECBINFHSA-N 367.293 5.414 0 40 FKAB CC(C)(C)c1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49600873 DSMWQDYWOUAKBY-UHFFFAOYSA-N 370.500 5.141 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1SC(C)(C)C 72217449 IYYSJPJTUJKIOI-OAHLLOKOSA-N 350.528 5.434 0 40 FKAB Cc1c(-c2nnc3sc(-c4cccc(Cl)c4)nn23)oc2ccccc12 96194120 ADZHWOBDYUIOIA-UHFFFAOYSA-N 366.833 5.228 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1F 98073065 MOLSJSRHJZVOEZ-UHFFFAOYSA-N 367.129 5.795 0 40 FKAB CCCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)c(F)c3)OC2)CC1 100074553 PXQGJCAMNTXNSQ-HHTAETPLSA-N 352.465 6.013 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118934808 SSOCUFRKNVQUCP-QTECUETRSA-N 368.649 8.194 0 40 FKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccccc1 214048612 YOUKBVLHAJGRQF-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c2ccccc12 225826110 AYRVCSHPMKKOIS-QHCPKHFHSA-N 371.521 5.943 0 40 FKAB CCc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 226239990 XVYPFQHPOKMQDI-UHFFFAOYSA-N 356.263 5.884 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Cl)oc2c1 226283867 CKXIDBQIYHEAPI-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB Cc1cccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)c1 226286231 MYGQXZNLTGFVJB-UHFFFAOYSA-N 354.409 5.272 0 40 FKAB Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)o1 253497912 ZMDCSLTVAOWENP-YNUQENKGSA-N 368.561 6.375 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 408629017 HZHGPDBAKUNESR-OAHLLOKOSA-N 374.937 5.450 0 40 FKAB Cc1ccc(OCCSc2nnc(-c3ccccc3)n2CC(C)C)cc1 409103665 AZISHNJVJWREQI-UHFFFAOYSA-N 367.518 5.081 0 40 FKAB Cc1ccc(Sc2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc1 409104884 KRLJUSWCQOSVAW-PDGQHHTCSA-N 365.479 5.825 0 40 FKAB C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 600484 JSPPDMSCDGJJOM-YDMRWXCBSA-N 372.505 5.129 0 40 FKAB biogenic,in-vitro CC1=CC(C)(C)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(C)cc21 855403 NRAKDUGFURFASZ-UHFFFAOYSA-N 361.894 5.039 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1scc2c1c(=O)oc1ccccc12 1036655 XUBHODHPHUUDQK-UHFFFAOYSA-N 370.817 5.305 0 40 FKAB CCCc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CCC)c2)ccc1O 1677709 VIUBQLSSDPDWRH-VXKWHMMOSA-N 354.534 6.690 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(SC)cc2)cc1 1741769 OPIFFDDYADZKIH-UHFFFAOYSA-N 358.463 5.009 0 40 FKAB Clc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 1770439 CWIBPQWUIJXXHU-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1Cl 2737564 BQQKPCMLMMMPEQ-UHFFFAOYSA-N 370.688 5.792 0 40 FKAB Fc1ccc(C2=C[C@H](c3ccc(F)cc3)n3c(nc4ccccc43)N2)cc1 2914972 HHEHXCXJKKFDMR-OAQYLSRUSA-N 359.379 5.371 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccc(-c2ccccc2)cc1 3247335 BBAWUKKNXFICKG-UHFFFAOYSA-N 357.236 5.809 0 40 FKAB Cc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3434196 ADRGCOSNQPMENN-UHFFFAOYSA-N 364.828 5.236 0 40 FKAB CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658675 XKOXHUBTPIYILM-UHFFFAOYSA-N 363.461 5.729 0 40 FKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(SC)ncnc32)cc1 3658764 JBFAKTOFRBTMRK-UHFFFAOYSA-N 361.470 5.208 0 40 FKAB O=C(Nc1ccccc1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 3898722 WPGZYKQCHVOPBJ-UHFFFAOYSA-N 353.491 5.255 0 40 FKAB FC(F)(F)c1cccc(OCCN2CCC3=C(CCc4ccccc43)C2)c1 4090713 MAJTZRJHULSWDK-UHFFFAOYSA-N 373.418 5.190 0 40 FKAB Cc1nc2cc(-c3ccc(C(C)(C)C)cc3)nn2c(N)c1-c1ccccc1 4351852 KPDHQBUOTVCNGD-UHFFFAOYSA-N 356.473 5.251 0 40 FKAB Clc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCCCO4)cc1 5422136 ZNGXQCWIJOJNIZ-UHFFFAOYSA-N 351.833 5.193 0 40 FKAB O=c1cc(-c2ccccc2)oc2cc(OC/C=C/c3ccccc3)cc(O)c12 6110787 VXRQEDMGPFPQNN-JXMROGBWSA-N 370.404 5.258 0 40 FKAB biogenic Cn1c(Sc2ncnc3scc(-c4ccccc4)c23)nc2ccccc21 6315485 RWBDDGAGMRHJAT-UHFFFAOYSA-N 374.494 5.396 0 40 FKAB CC1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 6348798 YKPRCHFFWVYSNZ-UHFFFAOYSA-N 363.288 5.482 0 40 FKAB CCOc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 6789225 RYOILAWFPXAXKD-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB O=C(COCc1nc2ccccc2s1)Nc1ccc(-c2ccccc2)cc1 8060747 MBGKOMIOLPCOBO-UHFFFAOYSA-N 374.465 5.119 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)C1CCCCC1 17156511 QRHWRAIQCNFBPB-UHFFFAOYSA-N 365.404 5.118 0 40 FKAB biogenic CSc1ccc([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 20025314 AMMCJGNGUJDFKT-QGZVFWFLSA-N 361.510 5.418 0 40 FKAB CCCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12 21799395 NXVQPWKDRSXHIS-UHFFFAOYSA-N 362.399 5.244 0 40 FKAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccc(F)c(Cl)c1 22072853 NCZFFPUFSAXWTB-UHFFFAOYSA-N 359.763 5.009 0 40 FKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(Cl)c1 27747001 WUVAZWIXYJLLNP-FQEVSTJZSA-N 374.871 5.383 0 40 FKAB O=C(Nc1cccc(Cl)c1-n1ccnc1)c1ccc(Cl)cc1Cl 32809152 XZWYAZFCOCVPNN-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC(F)F)cc1)CC2 35394879 GFNLWHHDQUKUGP-QBFSEMIESA-N 367.351 5.021 0 40 FKAB FC(F)(F)c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 35572447 GFVLDEOONDCYSC-UHFFFAOYSA-N 371.402 5.574 0 40 FKAB CNCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 36814582 WHXXSQUZERNKOB-UHFFFAOYSA-N 361.066 5.268 0 40 FKAB COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 58160006 OTMOFBMASGGYGG-QZTJIDSGSA-N 374.484 5.040 0 40 FKAB Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc(F)c(F)cc1Cl 59474593 AZZRZGGPJZHCCX-UHFFFAOYSA-N 364.606 5.163 0 40 FKAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 59488505 ASDUVHATTUBLGK-FQEVSTJZSA-N 366.823 5.559 0 40 FKAB C[C@@H](c1nc2ccccc2n1C(F)F)N(C)Cc1cccc2ccccc12 65541426 VQSRNIVFUJPYLE-HNNXBMFYSA-N 365.427 5.778 0 40 FKAB Cc1ccc(Nc2nc(C)c(C(=O)Nc3ccccc3C)s2)cc1Cl 67322103 ZZMIRETXWYFCIL-UHFFFAOYSA-N 371.893 5.718 0 40 FKAB COc1ccc(SCC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 85472356 XQMKUNDYIMLYKH-UHFFFAOYSA-N 370.518 5.040 0 40 FKAB Clc1cccc2c1OCCC[C@H]2NCc1cccc(-c2cccnc2)c1 95463792 HBNJMVPNMGHBME-OAQYLSRUSA-N 364.876 5.406 0 40 FKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 106982662 GQDDBBIYPMMMOD-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224871305 MBLZAAQENGMDJV-UHFFFAOYSA-N 365.395 5.454 0 40 FKAB CCc1cccc(CC)c1NC(=O)CCc1ccc(Cl)cc1Cl 225370916 CMACRJGSHIJIHS-UHFFFAOYSA-N 350.289 5.690 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225705182 VGMIENIVHSNCAB-PGRDOPGGSA-N 363.542 5.795 0 40 FKAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226321804 HQYRYSZZIRMYSY-UHFFFAOYSA-N 366.027 5.577 0 40 FKAB CCN1Cc2ccccc2OC2(CCC(N(C)CC3=CCCCC3)CC2)C1 257286951 PNTYSVKMYRRBDT-UHFFFAOYSA-N 368.565 5.015 0 40 FKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nc2c1 408628919 YDRMIPVBNQNRQJ-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C 1857795231 WZXRTVOJKUYNIN-OYLFLEFRSA-N 369.555 5.504 0 40 FKAB COc1ccc(-c2csc3nc(-c4ccccc4Cl)oc(=O)c23)cc1 708879 OJMPPNSKBJYLAJ-UHFFFAOYSA-N 369.829 5.246 0 40 FKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1F 725734 ZFNNKTWVOVPTLD-KKSFZXQISA-N 360.432 5.418 0 40 FKAB Cc1ccc(Oc2coc3cc(OCCc4ccccc4)ccc3c2=O)cc1 954154 QIJAMNWPGWBJSK-UHFFFAOYSA-N 372.420 5.515 0 40 FKAB Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)cc1C 979625 ASSVANXRXUZRMD-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB O=C(CSc1cccs1)N1c2ccccc2Sc2ccccc21 1010275 XMLIEGHFZWARLE-UHFFFAOYSA-N 355.509 5.670 0 40 FKAB O=C(NC(=S)c1cccc2ccccc12)Nc1ccc2ccccc2c1 1096153 UUSDCTFIKKMBKO-UHFFFAOYSA-N 356.450 5.490 0 40 FKAB Cc1ccc(C(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377411 RRXJZBQDTFNLJB-UHFFFAOYSA-N 368.527 5.469 0 40 FKAB Clc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 3233866 YEQRPTVLWPWZTD-UHFFFAOYSA-N 360.848 5.639 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1Oc1ccccc1 3421796 YDSKVDGIKIDOKK-UHFFFAOYSA-N 356.425 5.532 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3s2)s1 4275471 CYNWMYJGMGGXKX-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C(C)(C)CC)C3 6482235 SJBVCJOSIQIGQV-NSHDSACASA-N 350.553 5.072 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 7080082 HZBMPZVZBQWYKF-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB COC(=O)c1cc(-c2ccc(-c3nc4ccccc4s3)o2)ccc1Cl 8092206 VIICDHVYKYUANA-UHFFFAOYSA-N 369.829 5.663 0 40 FKAB COc1cc(NC(=S)Nc2cccc(Cl)c2C)c(OC)cc1Cl 8330242 ADLYFEQIEHCHNE-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)cc(-c2ccccc2)n1 12016862 RNCVMHJPXMSKGK-UHFFFAOYSA-N 354.862 5.080 0 40 FKAB O=C(c1c(F)cccc1Cl)c1c(-c2ccccc2)nc2ccccn12 12541314 KKJRUDWFDNRUKV-UHFFFAOYSA-N 350.780 5.025 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(F)(F)F 12947628 JMMGVFUDTHCHSH-ZDUSSCGKSA-N 359.347 5.265 0 40 FKAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 13573948 UUXSBAYSYLYODE-MFOYZWKCSA-N 372.877 5.063 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1Cl 14398733 MYISFDLOEPVFHT-LBPRGKRZSA-N 366.288 5.697 0 40 FKAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc2cccnc12 15525390 LFGOSXQFMXYMAO-UHFFFAOYSA-N 360.388 5.205 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1C 20456380 IBSSVBVQOXQCAV-SFHVURJKSA-N 361.441 5.502 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 22515488 XKDQOLJAXIUEAV-NDCSFFLDSA-N 351.490 5.273 0 40 FKAB Cc1ccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 26423023 QFKULERNDJPFJG-UHFFFAOYSA-N 350.365 5.409 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 38752740 OJVWZLINFZTUIJ-QHCPKHFHSA-N 357.497 5.812 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCCCC1 41107651 MOPKEUKJQACNKO-UHFFFAOYSA-N 354.416 5.215 0 40 FKAB Cc1cccc(Nc2nn(CN(C)Cc3ccccc3)c(=S)s2)c1C 57438430 UHMRKRAZDUWJKW-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 59477498 USVBRAQUPHNFKF-DHZHZOJOSA-N 358.224 5.905 0 40 FKAB Cc1ccc(C)c(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)c1 67341619 CGBQMYRZHFVSTA-UHFFFAOYSA-N 364.449 5.122 0 40 FKAB CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc(C)cc1 100053128 IOPBXWVGCLFARM-CZIZESTLSA-N 373.319 5.540 0 40 FKAB Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 118928035 ARYVICLZGFZHAR-FLLNUHPYSA-N 368.565 5.207 0 40 FKAB Cc1ccc(CCCNC(=O)c2ccccc2CCc2ccccc2)cc1 219002856 WPRMVBGREBHIQG-UHFFFAOYSA-N 357.497 5.143 0 40 FKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(OC2CCCC2)cc1 222835709 JPFXILYFUIZZKJ-UHFFFAOYSA-N 361.441 5.179 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1C(C)C 223378770 ZCPHFYQGMBJNJX-LJQANCHMSA-N 367.533 5.554 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2)cc1 224938733 FYJTWSIIKHHRRY-UHFFFAOYSA-N 363.288 5.165 0 40 FKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccccc1 225132964 WTWGXMOTHFHTHI-FQEVSTJZSA-N 368.816 5.207 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl 225256275 WUBBFPPPVBRZNP-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB COc1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225698183 SMCQWIGGDBGBQX-OAQYLSRUSA-N 362.498 5.080 0 40 FKAB Nc1c(C(=O)c2ccc(-c3ccccc3)cc2)sc2nc3c(cc12)CCC3 688331 CBGPYJDHGQSUKP-UHFFFAOYSA-N 370.477 5.265 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Br 823238 QIGBRIHCBBWMRA-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB O=C(Nc1cccc(Br)c1)Nc1ccc(Cl)c(Cl)c1 889233 ZIOVWKGHWGUJMN-UHFFFAOYSA-N 360.038 5.400 0 40 FKAB O=C(Nc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 994745 OSHDICSUPIGOOL-UHFFFAOYSA-N 358.828 5.808 0 40 FKAB CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 1084887 CIKPGGNZLLYUBA-UHFFFAOYSA-N 356.516 5.325 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C)c1C 1772957 KMWJUNQIWHIPPJ-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB Cc1ccc(C(C)C)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 1877368 RRGRLLFRGQISJA-UHFFFAOYSA-N 370.452 6.227 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(-c2ccccc2)cc1 2029720 GXMKYBUEMBTAHH-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB CC(C)Oc1ccc(CNCC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 2432475 XSQWQHCMNCZHKU-IFMALSPDSA-N 361.570 5.431 0 40 FKAB CCCc1cc(=O)oc2c(C)c(OC/C=C(/C)CCC=C(C)C)ccc12 2438162 GSGMBSWSFGZVTA-LGMDPLHJSA-N 354.490 6.125 0 40 FKAB CC(C)CC[C@]1(CCN[C@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 2453806 CODQGSPQNINKTM-GCJKJVERSA-N 365.989 6.392 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)cc1 2733388 UZTQVECYFQFKQY-UHFFFAOYSA-N 366.508 6.748 0 40 FKAB COc1ccc(Br)c(C(=O)Nc2c(C)cccc2C(C)C)c1 3592022 WAHJKTPMNPHQSA-UHFFFAOYSA-N 362.267 5.142 0 40 FKAB O=C(c1cccs1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 4318356 MBIDDUUZOZSLPT-HQRMLTQVSA-N 359.922 5.503 0 40 FKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 5079523 BUHCDTQHVQSFJY-HSZRJFAPSA-N 367.404 5.016 0 40 FKAB Cc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2nc3ccccc3n21 5455093 CUQXBPPKTXCGKG-IFMALSPDSA-N 357.432 5.630 0 40 FKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)nc2c1 5471627 SFJGYHREVWJBQJ-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3Cl)sc2c1 5619206 LZHAAOWHBDTINV-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1cc(C)ccc1C 5736044 WLRHUKCPGRFREP-UHFFFAOYSA-N 366.486 5.821 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)c(C)c1 6147530 DOYDNQQEEMCIDS-UHFFFAOYSA-N 358.503 5.427 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCSc1ccc(C)cc1 6560654 XJQGBHBDIZSVFR-UHFFFAOYSA-N 361.938 5.894 0 40 FKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 7375700 ATMVALCOQQWJIP-VGOFMYFVSA-N 361.441 5.007 0 40 FKAB c1ccc2sc(CN3CCC[C@H]3c3nc4ccccc4s3)nc2c1 8428914 YXHCUZOTKSENSR-HNNXBMFYSA-N 351.500 5.243 0 40 FKAB Cc1nc(-c2ccccc2)c(CC(=O)N[C@@H](c2cccs2)C(C)C)s1 12200395 IUYSSZLDANDDGX-LJQANCHMSA-N 370.543 5.236 0 40 FKAB OCCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(F)cc1 12377004 PKQAJAXHAYLBGO-LNVKXUELSA-N 370.493 5.141 0 40 FKAB Oc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1Br 12822057 LVPVMLIMNFUSQT-QHHAFSJGSA-N 350.599 5.120 0 40 FKAB Cc1cc2oc(=O)cc(CN3c4ccccc4CC[C@@H]3C)c2cc1Cl 13059119 CUTKEGULJASZNP-AWEZNQCLSA-N 353.849 5.096 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)cc(Cl)c1 13689128 WXJXHUANAZURJC-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1nc(Cl)ccc1Cl 15757484 UTHKDRYKCPBXIK-UHFFFAOYSA-N 355.224 5.212 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)cc2C)c2ccccc2)cc1 16243029 QBLXYZRDVRROGD-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(-c3ccccc3)cn12 16740405 YGQNKTKQFYUQTR-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB Clc1ccc(CCNc2ccc(OCCCc3ccccc3)cc2)cc1 19738422 QKKRYHUBAJQYCT-UHFFFAOYSA-N 365.904 6.006 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 20107484 ZHIREXMDZANIOT-KRWDZBQOSA-N 374.267 5.943 0 40 FKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1 26459244 TXFHFUNQVXOOGZ-UHFFFAOYSA-N 351.471 5.080 0 40 FKAB CCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 27664332 JBJHQRYPWYSKIB-UHFFFAOYSA-N 374.484 5.451 0 40 FKAB COc1ccc(-c2cc(C(=O)N(c3ccccc3)c3ccccc3)no2)cc1 28287004 WGLJWJIXDXJSDV-UHFFFAOYSA-N 370.408 5.329 0 40 FKAB COc1ccc(S[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 30870554 OAYCCXLKMMYPIG-UZLBHIALSA-N 357.519 5.079 0 40 FKAB Cc1ccccc1-c1cc2c(SCc3cccc(Cl)c3)nccn2n1 38651965 SBDPSLDNPDTGRZ-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 39892939 YEUYJCCPMHTYKX-UHFFFAOYSA-N 362.256 5.846 0 40 FKAB CC1=C(C)[C@]2(C)[C@@](C)(OC(=O)c3ccc(Br)cc3)[C@H](C)[C@]12C 45028148 XCKBIRVNXHZZSU-RPTUDFQQSA-N 363.295 5.377 0 40 FKAB COc1ccccc1Cc1nnc(SCc2cc3ccccc3s2)o1 95468105 QSWCSSWLTPYLMJ-UHFFFAOYSA-N 368.483 5.176 0 40 FKAB CC(C)c1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 100891314 BQIJQUGKICFGMV-FXAWDEMLSA-N 356.853 5.233 0 40 FKAB Cc1cc(C)c(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(Cl)c1 102921840 HJGXKWUBWBSNBX-CXTCDGGRSA-N 352.305 5.473 0 40 FKAB Cn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 118916099 JHTFPRFKUMCPIU-LXNQAJETSA-N 368.565 5.207 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222907360 YBCDOMFXKUXBMR-LJQANCHMSA-N 355.478 5.179 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 225356966 BCAFOKNPAFMMTO-UHFFFAOYSA-N 352.305 5.011 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2c(F)cccc2F)c2ccccc2)cc1 225510421 ISEDEWVFFCUOLC-IBGZPJMESA-N 368.452 5.349 0 40 FKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1 225741387 MYEKBSHYCILWCK-UHFFFAOYSA-N 363.542 5.672 0 40 FKAB O=C(c1ccc(F)cc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443612 WSVFQTUQSHASHE-UHFFFAOYSA-N 372.403 5.198 0 40 FKAB CC1(C)C[C@@H]2CN(C(=O)CCC3CCCC3)CC[C@@H]2N1c1cccc(F)c1 2037978314 PPWHHFRZNHAWMF-NQIIRXRSSA-N 372.528 5.002 0 40 FKAB CCc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccco3)c3ccccc32)cc1 689284 SNEORTOFJWPCCX-VWLOTQADSA-N 373.496 5.977 0 40 FKAB CC(C)CCOc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 986710 RWVITENKVMYUTI-UHFFFAOYSA-N 359.469 5.616 0 40 FKAB CC(=O)Nc1ccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 1281070 XVCSMFIRTLMKRV-QHCPKHFHSA-N 370.456 5.031 0 40 FKAB CC(=O)O[C@@H]1c2ccccc2N[C@H](c2ccc(Br)cc2)C1(C)C 1445834 IDACFZAQMMOCEQ-QZTJIDSGSA-N 374.278 5.246 0 40 FKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccco3)ccc12 1471625 YHGREQWXWUGLAB-UHFFFAOYSA-N 354.818 5.023 0 40 FKAB CCOc1ccc2oc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(C)c2c1 2632942 CFIJTFATTCTIRM-UHFFFAOYSA-N 363.335 5.411 0 40 FKAB FC(F)c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccccc1 2745776 SLROPUBAGYQHHV-UHFFFAOYSA-N 351.356 5.496 0 40 FKAB Cc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1C 3001456 BBENJEJSHFYUMO-UHFFFAOYSA-N 359.292 5.933 0 40 FKAB O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cc(F)c(F)cc1Cl 3101336 GWXBAIGTKPILSB-UHFFFAOYSA-N 358.775 5.929 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1c(-c2ccccc2)noc1C 3349523 AMYKISXQAZDOKV-UHFFFAOYSA-N 368.864 5.681 0 40 FKAB COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 3885953 RAEVJWCABIVQLE-LBFFYKKLSA-N 359.425 5.065 0 40 FKAB c1ccc(C(c2ccccc2)n2c(N3CCCCC3)nc3ccccc32)cc1 4018627 DTFNLUKIGINYOM-UHFFFAOYSA-N 367.496 5.664 0 40 FKAB Fc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c12 4970019 RZVCNXIMYLZKSZ-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB COc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(C)cc23)cc1 4970136 JOXMCZVHKRPLSM-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB COc1cccc(CNCc2cccs2)c1OCc1ccc(Cl)cc1 5019714 LVVNEHBGCRKELG-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB O=S(=O)(NC1CCCCCCCCCCC1)c1ccc(Cl)cc1 5944999 MQPZQMHTQPVUFZ-UHFFFAOYSA-N 357.947 5.292 0 40 FKAB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc21 6630229 PUIOBCRBYVZKLP-HZHRSRAPSA-N 370.496 5.618 0 40 FKAB COc1c(Cl)cc(Cl)cc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 8534850 IPUPFJZFUJGAHN-JSFDKUKPSA-N 368.348 5.697 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 13710775 GVMGGLMKAUWAQV-SFHVURJKSA-N 361.441 5.502 0 40 FKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 14257915 KOXYBCRBRWNAAS-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB O=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 15011353 PQVXTSAJGXUMCR-GXDHUFHOSA-N 356.208 5.746 0 40 FKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21 17074401 WJXGXVSWFVUUFN-UHFFFAOYSA-N 361.411 5.842 0 40 FKAB CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3C[C@@H](c4ccccc4)NN32)cc1 19171706 NNUWRAGPZLVXPM-WPFOTENUSA-N 372.468 5.169 0 40 FKAB O=C(c1ccc(C2SCCS2)cc1)N1CCC[C@@H]1Cc1ccccc1 25173294 YHNIEUAMFLKETL-LJQANCHMSA-N 369.555 5.013 0 40 FKAB C[C@H](CNc1ccc(C(F)(F)F)cn1)c1nc2ccccc2n1C(F)F 32855843 IWMFMOFJQSCSPY-SNVBAGLBSA-N 370.325 5.061 0 40 FKAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](CC(C)(C)C)c2ccccc2)no1 46897072 MGIPBPFBWGZXLT-MOPGFXCFSA-N 355.482 5.007 0 40 FKAB Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2Cl)n1 71977911 XIKOLDAOOSBENJ-UHFFFAOYSA-N 350.636 5.353 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc(Cl)ccc1Br 199829477 FCZSZBRMQHQUOO-CYBMUJFWSA-N 360.679 5.175 0 40 FKAB Oc1ccccc1C1=Nc2ccccc2S[C@@H](c2ccc(Cl)cc2)C1 1043897 BBINGBZMFOMNKD-OAQYLSRUSA-N 365.885 6.404 0 40 FKAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 1263114 ZRYJIGCKWLBJSM-UHFFFAOYSA-N 361.285 5.593 0 40 FKAB Cc1ccc(COc2ccc(C(=S)N(C)Cc3ccccc3)cc2)cc1 1443617 KNEYZRZHTUVCSD-UHFFFAOYSA-N 361.510 5.382 0 40 FKAB CCOc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 1506085 PORAPMBDSXXSBT-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccco1 1509814 RHJINJWGGPQKCU-UHFFFAOYSA-N 362.410 5.448 0 40 FKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccccc1Cl 2451000 KIHUTKOVFAOJSL-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C)c2C)cc1 2638841 OCSBNGFCOXTUAR-UHFFFAOYSA-N 350.487 5.225 0 40 FKAB Cc1ccc(-c2c(C(=O)OC(C)C)c(C)nc3sc4c(c23)CCC4)cc1 3341440 FTFHCVDMKVQVMI-UHFFFAOYSA-N 365.498 5.634 0 40 FKAB CCc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1 3898507 HKDJAKCHBSSTME-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)c2cnn(Cn3ncc4c3[C@@H](C(C)C)CC[C@H]4C)c21 4671509 GSTLFXOMMNFYHO-MKXGPGLRSA-N 368.569 5.859 0 40 FKAB Cc1cc2c(O)c(-c3cccc(Cl)c3)c3sc(=O)oc3c2cc1C 5219737 OHIGAUGSKKPFAL-UHFFFAOYSA-N 356.830 5.651 0 40 FKAB O=C(Nc1nccs1)c1ccc(CSc2ccc(Cl)cc2)cc1 6789550 DKYGATPSCJEPHM-UHFFFAOYSA-N 360.891 5.341 0 40 FKAB Clc1nc2ccccc2cc1CSc1nnc(C2CCCCC2)o1 6881259 RIOICBXHMRAWCM-UHFFFAOYSA-N 359.882 5.611 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@H]21 6965670 LIVPYWYCZCUXDS-NPPFBWRTSA-N 361.485 5.817 0 40 FKAB FC(F)(F)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 6971751 FLSQFHXDNQDRLS-UHFFFAOYSA-N 364.314 5.533 0 40 FKAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccc(C)c(C)c3)[nH]c(=O)c12 7002479 DWTJPOIERRUJIM-GFCCVEGCSA-N 369.534 5.111 0 40 FKAB Fc1ccc(/C=C2\CCCC3=C2N=C(S)N[C@H]3c2ccc(F)cc2)cc1 8686623 JDCHOZXTHQAWCS-QZEGLACASA-N 368.452 5.417 0 40 FKAB aggregator Cc1ccc(Cl)cc1-n1ncc2c(Nc3ccc(Cl)cc3)ncnc21 10386691 GROTYPPVJITHJK-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(C)cc3)c2c1 11866418 VPJVMJXENFAJOP-UHFFFAOYSA-N 371.436 6.059 0 40 FKAB biogenic C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 13708743 XLNNQAQVLQOVRO-LBPRGKRZSA-N 360.240 5.553 0 40 FKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)cc1 14257923 ZOIVMYRQLYMSKI-UHFFFAOYSA-N 362.816 5.078 0 40 FKAB Cc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835496 XNUKXGYMUVSPEN-OAQYLSRUSA-N 360.482 5.399 0 40 FKAB CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 17076149 HRUFSXMVUXDPGL-UHFFFAOYSA-N 371.651 5.248 0 40 FKAB COc1cc(CN[C@@H](C)c2cccc3ccccc23)ccc1OC(F)F 25364067 FDIVPUHNLSVQNV-AWEZNQCLSA-N 357.400 5.301 0 40 FKAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 27548439 LLSSGDAQRIIWOP-YLJYHZDGSA-N 350.805 5.175 0 40 FKAB CSc1ccc(-c2nc3cnccn3c2Nc2cccc(C)c2C)cc1 35616226 CMQHQAVOYSTFPA-UHFFFAOYSA-N 360.486 5.479 0 40 FKAB CN(C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)c1cccs1 89313902 LYIPRNAYWFVZGD-HNNXBMFYSA-N 365.424 5.030 0 40 FKAB CCOCc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 95369231 YWSRXUSEDYYLEX-UHFFFAOYSA-N 365.454 5.096 0 40 FKAB Cc1ccc([C@@]2(CCN[C@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 101926627 CGUCFXKLVWDOLG-LSWJPFSZSA-N 371.590 5.870 0 40 FKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC 107835910 DRFANNVWJCMSSN-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(C)cc1 216323983 CFKLYTADYZFHNV-IBGZPJMESA-N 361.938 5.268 0 40 FKAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc2c(c1)CCCC2 223083559 SPPRYSXTWUDJPH-JOCHJYFZSA-N 365.517 5.137 0 40 FKAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1C(C)(C)C 224165970 GGQNQLNCQLKJGB-UHFFFAOYSA-N 369.505 5.100 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224961792 HLMNRRRCUWMPOZ-SFHVURJKSA-N 374.484 5.236 0 40 FKAB COc1cc(CNC(=S)Nc2ccc(C(C)C)cc2)ccc1OC(C)C 225530196 FBDWWGYJYXKFKH-UHFFFAOYSA-N 372.534 5.092 0 40 FKAB CCOc1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1 225604258 KQEKCDUGCCOYGZ-UHFFFAOYSA-N 374.575 5.004 0 40 FKAB CC(C)c1ccc([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 1776004287 IZJCKNLDIHAJOY-LJQANCHMSA-N 366.461 5.298 0 40 FKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 1015340 DTFCRVAPEUHXJM-OJVSJSBUSA-N 367.492 5.805 0 40 FKAB COc1ccccc1C1=C(CN(C)C)[C@@H](c2ccccc2)c2ccccc2O1 1405936 MKFBZZSGRVHBMK-DEOSSOPVSA-N 371.480 5.192 0 40 FKAB Clc1ccc2c(c1)/C(=C/c1cccnc1)c1cc(Cl)cc(Cl)c1-2 1722527 KHTICSQHPDGZJB-UUASQNMZSA-N 358.655 6.611 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C)c(Cl)c1 1774751 MJWSGRIPZBDNLO-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB Cc1ccc(OCC(=O)Oc2cc(C)c(Cl)c(C)c2)c(C(C)(C)C)c1 1807940 YNJYMAIJIMXNLE-UHFFFAOYSA-N 360.881 5.547 0 40 FKAB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 2159360 OPWKISMBUBCJNM-UHFFFAOYSA-N 355.868 7.044 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccccc1OCc1ccccc1 3333827 XWMIPPDTIWSWJL-UHFFFAOYSA-N 359.469 5.950 0 40 FKAB CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(CNC(=O)C3CC3)[C@@H]1CC2 4698057 MYJYYQOEZZKMCH-OEMFJLHTSA-N 353.550 5.347 0 40 FKAB O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)OC1CCCCC1 4887736 JSHJFTGXJFYJMM-WWNPGLIZSA-N 362.469 5.019 0 40 FKAB COc1c(Cl)cc(Cl)cc1CNc1ccc(NC(=O)C(C)C)cc1 6023100 WDFPBRUPPXHRLS-UHFFFAOYSA-N 367.276 5.209 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 6398117 DLNBULAUXPQGIR-UHFFFAOYSA-N 374.893 5.553 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(C)c1C 6924497 CGSYOBUTHGXXCF-BQYQJAHWSA-N 350.245 5.271 0 40 FKAB Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccco1 7523711 ZCKKTMNZHKOWFY-UHFFFAOYSA-N 361.416 5.441 0 40 FKAB Cc1cc(Cl)ccc1OCc1nnc(SCc2ccc(F)cc2)o1 7605264 LNLOOIHEKTZBBF-UHFFFAOYSA-N 364.829 5.042 0 40 FKAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)c(C)c1 8410415 UMWHAXQOXGFZAG-UHFFFAOYSA-N 366.530 5.102 0 40 FKAB c1ccc([C@H]2c3ccsc3CCN2Cc2cc(-c3ccco3)on2)cc1 9076850 SSTUOZZKRUSFQP-NRFANRHFSA-N 362.454 5.144 0 40 FKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2ccccc2c1 11326519 BQTPDSWSLOAZNQ-UHFFFAOYSA-N 360.388 5.205 0 40 FKAB Cc1cc(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc12 12587679 DYVDASGQJOKDDB-UHFFFAOYSA-N 350.487 5.397 0 40 FKAB Cc1cccc2sc(NC(=O)CC(c3ccccc3)c3ccccc3)nc12 12745165 OJVYWKBIQVYZFV-UHFFFAOYSA-N 372.493 5.765 0 40 FKAB FC(F)(F)c1ccc(Cl)c(NC(=S)N(Cc2ccco2)C2CC2)c1 13692277 PFPIRJGKHRKHOO-UHFFFAOYSA-N 374.815 5.313 0 40 FKAB Cc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 14084504 QXXFSKNXZCKZLV-UHFFFAOYSA-N 373.481 5.416 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NC5CCCCC5)(C4)C2)C3)cc1 16134298 VDTVOJSOMYUCQR-LHHMWQFHSA-N 351.534 5.282 0 40 FKAB CC(C)Oc1ccc(/C=C\C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 17075492 YRDBMRYKRPEUAK-VEGPBJBBSA-N 367.533 5.208 0 40 FKAB C1=N\CCCCCCC/N=C/c2ccccc2NCCNc2ccccc2/1 17109986 PRILACDJQKZFKE-ZFQRDYFNSA-N 362.521 5.013 0 40 FKAB Cc1c(CN[C@@H](Cc2cccs2)c2nccs2)[nH]c2ccc(F)cc12 19565532 ZQAKPZKSALPXAO-KRWDZBQOSA-N 371.506 5.207 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(C)cc1C 20041811 VROSTPNKRYMLLB-PGRDOPGGSA-N 361.485 5.491 0 40 FKAB Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)sc2c1 27027174 PLWDYQPLLWBAHX-UHFFFAOYSA-N 362.907 5.297 0 40 FKAB Cc1ccccc1[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 44948091 NWQVBZYANIWYEJ-HSZRJFAPSA-N 359.469 5.302 0 40 FKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccccc1 59055501 NNCOEORABOBDLF-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cc(Oc3ccccc3)ccc2n1 78401722 LHPDOGXAMCWBCE-UHFFFAOYSA-N 370.408 5.777 0 40 FKAB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc(-c2ccc(Cl)cc2)o1 101541131 OMYSWKXHLJEXJH-IBGZPJMESA-N 364.832 5.181 0 40 FKAB O=C(Oc1ccccc1-c1ccccc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102185259 KEIIHVNGPGKKNJ-TWVWUCKLSA-N 366.888 5.837 0 40 FKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1c1cccc(Cl)c1 210198988 BHCSKDRCZSBGMD-RIYZIHGNSA-N 350.226 5.234 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccc(C)c(C)c1 219369711 SZSMXOXOZJYEBP-LEWJYISDSA-N 353.506 5.345 0 40 FKAB COc1ccc([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222692876 CGMTWVYIIPFPIQ-CQSZACIVSA-N 363.910 5.098 0 40 FKAB C[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)CCCC2 222993550 FDRVPDWIFOEMBI-SFHVURJKSA-N 357.497 5.529 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1OC 223330871 USODYAVECCHWAZ-OXQOHEQNSA-N 369.505 5.028 0 40 FKAB Cc1cc(NC(=S)NCC2(c3ccccc3)CCCCC2)ncc1Cl 223991714 XJSQUBOUURNWHG-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 224988487 ODXJDHBLHHDCBZ-OAHLLOKOSA-N 373.924 5.672 0 40 FKAB Cc1cccc([C@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2)c1 225310033 PUALOLMROXFULL-HSZRJFAPSA-N 363.888 5.487 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 225710138 JVYMHZHRVWJSDS-UHFFFAOYSA-N 365.502 5.074 0 40 FKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225741426 LOLLYLGCJMBAIH-UHFFFAOYSA-N 363.542 5.670 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(C)c(C)c1 225837519 XRBQUYZJCNYYCG-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccc(Cl)cc1Cl)CCCC2 408924316 HOKKNNPAJOEXBS-UHFFFAOYSA-N 350.245 5.133 0 40 FKAB O=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccccc1 409020606 QZDSGSORRKOQNB-PDGQHHTCSA-N 365.385 5.327 0 40 FKAB COc1cc(C(F)(F)F)nc(Oc2cc(Cl)c(Cl)cc2Cl)n1 1390167 XBJYCMSPFYBFBX-UHFFFAOYSA-N 373.545 5.257 0 40 FKAB Clc1ccc(-c2nc3ccccc3nc2-c2ccc(Cl)cc2)cc1 1556459 YRIYQYFTIPWTDM-UHFFFAOYSA-N 351.236 6.271 0 40 FKAB CC(C)c1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 2500073 FYIRHTIKLKAZCH-RTBURBONSA-N 352.869 5.201 0 40 FKAB O=C(CCCSc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 2616418 FHSKGJBNKUWCRR-UHFFFAOYSA-N 373.478 5.176 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 2700623 LWLNKFVUOFWRQO-KCZVDYSFSA-N 371.883 5.581 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(OC)cc3)ccc21 3195171 WZKLXKKYSRZIJX-XNTDXEJSSA-N 370.452 5.475 0 40 FKAB Cc1ccc(C)c(C(=O)COc2c(C)cc(Br)cc2Cl)c1 3446547 ZHAURPYOAIMENV-UHFFFAOYSA-N 367.670 5.289 0 40 FKAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc2ccccc12 4070825 OAHHSZZNKLYXSV-UHFFFAOYSA-N 356.450 5.314 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 4487818 IAOSTUBPKZGHIT-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 4666335 BWLFBRYGERAGNY-LBPRGKRZSA-N 352.261 5.524 0 40 FKAB Cc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C)c(C)c2)C4)cc1C 4798031 USERASAGZUDMGC-UHFFFAOYSA-N 368.524 5.961 0 40 FKAB Cc1ccc2c(c1)S[C@@H](CC(=O)c1cccc(Br)c1)S2 5055045 ARGAGCDYVLZHGV-INIZCTEOSA-N 365.317 5.554 0 40 FKAB Cc1cc(C)c2nc(SCc3nnc(-c4cccs4)o3)cc(C)c2c1 5638193 UUPDEOJZUAOWCS-UHFFFAOYSA-N 367.499 5.564 0 40 FKAB COc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 6221162 KALUMHRATZHTTF-UHFFFAOYSA-N 353.805 5.393 0 40 FKAB Oc1nc(/C(Cl)=C/c2ccsc2)nc2cc(C(F)(F)F)ccc12 6923191 ALACUIOVWBFYPT-WZUFQYTHSA-N 356.756 5.153 0 40 FKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cs1 7918847 JFCCEWCHWMPVNJ-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 9660059 UTJGUELFZYLLNK-UHFFFAOYSA-N 374.371 5.243 0 40 FKAB biogenic O=C(Nc1ccc(Cl)cc1Cl)C1=C(c2ccccc2)SCCO1 12408022 XBYYIAFPQAWCGX-UHFFFAOYSA-N 366.269 5.064 0 40 FKAB FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)on2)cc1 13640862 INMWRJSQKNFIDB-UHFFFAOYSA-N 353.271 5.211 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc3ccc(C)nc23)c1 15835301 GFLDORBBYKGVCD-KRWDZBQOSA-N 362.473 5.381 0 40 FKAB CCCOc1ccccc1C(=O)Nc1ccc(OCCC)c2ncccc12 15841031 MLTYZNOJVCOKSC-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB COC(=O)c1ccc(N(c2ccccc2)c2cccc3ccccc23)s1 16194250 MDPGCBUVQISHKW-UHFFFAOYSA-N 359.450 6.158 0 40 FKAB CN(C(=O)c1csc(-c2cccs2)n1)[C@@H]1CCCc2ccccc21 29258657 FKCVKGXYMYBCQG-MRXNPFEDSA-N 354.500 5.021 0 40 FKAB Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C)cc2)cc1 32288825 NVMHZSCMWYZDCC-UHFFFAOYSA-N 354.342 5.948 0 40 FKAB c1ccc(CNCCc2c[nH]c3ccc(OCc4ccccc4)cc23)cc1 34649836 WMLUGAISOXQZMR-UHFFFAOYSA-N 356.469 5.079 0 40 FKAB in-vitro Cc1cc2oc(C(=O)N3C[C@@H](C)Oc4ccccc43)c(C)c2cc1Cl 41155845 QANMTUWMIWUYRT-GFCCVEGCSA-N 355.821 5.131 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(OC)cc3)c2c1 46086131 OKDKOUKAOXNZCF-UHFFFAOYSA-N 353.418 5.181 0 40 FKAB CCOc1ccc(/N=c2\ssc(SC)c2-c2ccccc2)cc1 95626625 PQSSRCHUVUXKLB-ZPHPHTNESA-N 359.541 5.830 0 40 FKAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2=O 100867884 KUXPJFCLABRXPP-IRXDYDNUSA-N 373.802 5.083 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219316419 MWDBMBUQXFVVJZ-QFIPXVFZSA-N 373.452 5.022 0 40 FKAB Cc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225608579 IDQRBJHUHKMJOK-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(F)c(F)c2)c2ccccc2)c1 225699863 WQMFCCHSPSZEJD-FQEVSTJZSA-N 368.452 5.349 0 40 FKAB Cc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1Cl 225808487 XAPSKIUSBNKPPN-UHFFFAOYSA-N 368.933 5.721 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)on1 225899631 NLAMEZGLZXIQFT-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB Cc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)cc(C)c3[nH]2)cc1 226303608 KHFSATGXXKNBJU-UHFFFAOYSA-N 356.513 6.315 0 40 FKAB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2N)o1 226348331 XILCXNQLQPKBEP-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1Br 408575250 TYNUBRFWYGLLQT-ACCUITESSA-N 368.230 5.361 0 40 FKAB Fc1ccccc1Cn1cc(-c2nc3ccccc3s2)c2ccccc21 409196335 ZCTVLURGVIXOJO-UHFFFAOYSA-N 358.441 6.105 0 40 FKAB Cc1cccc(NC(=O)COc2cccc(CNc3ccc(C)cc3C)c2)c1 409263309 BOYWDEKRJFXORU-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1Cl 894385 UIWALRFPVGLRBC-UHFFFAOYSA-N 356.661 6.114 0 40 FKAB FC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccccc4)n3)on2)c1 1382748 ZOIPFQXASWAYPK-UHFFFAOYSA-N 372.371 6.151 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(Cl)cc1 1441153 HJUXEPTZAHVQFY-HNNXBMFYSA-N 369.342 5.438 0 40 FKAB COC(=O)[C@@H](c1ccccc1)[C@@H](SCc1ccccc1)c1ccccc1 1734651 CNLXKOBPBLLNJC-VXKWHMMOSA-N 362.494 5.618 0 40 FKAB CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 2196794 HBCNYWKMHUJMNB-UHFFFAOYSA-N 362.564 5.344 0 40 FKAB c1ccc2cc(-c3csc(Nc4cccc5ccccc45)n3)ccc2c1 2557734 FEEAWVAVNMYNHY-UHFFFAOYSA-N 352.462 6.860 0 40 FKAB Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2c(Cl)c1Cl 2569956 PYUSJFJVDVSXIU-UHFFFAOYSA-N 374.865 7.506 0 40 FKAB biogenic,in-vitro CSc1nc2ccc(NC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc2s1 2664323 QJYWMNNVUNXITM-SNVBAGLBSA-N 374.556 5.457 0 40 FKAB Cc1c(-c2cccc3ccccc23)c(=O)oc2ccc(Br)cc12 3255817 BMRWKODZTXEAFR-UHFFFAOYSA-N 365.226 5.684 0 40 FKAB CCCCC1CCC(C(=O)Nc2nnc(S[C@H](C)CC)s2)CC1 4079433 ZSMBRWHFLVRNOQ-IYXRBSQSSA-N 355.573 5.364 0 40 FKAB O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)OC1CCCCC1 4887738 JSHJFTGXJFYJMM-MDNUFGMLSA-N 362.469 5.019 0 40 FKAB C1CSCCCSCCCSCCCSCCCSC1 5600181 IHZRZROGHCHTMN-UHFFFAOYSA-N 370.740 5.617 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 5602488 DPDWPBQAKAHITA-UHFFFAOYSA-N 356.252 5.513 0 40 FKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)-c2ccccc2OC3)cc1 6332300 JBIAPHJTAYRTPH-UHFFFAOYSA-N 369.489 6.320 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2C)N3)C1 6396224 UMSRODFODVKDIG-LIRRHRJNSA-N 368.546 6.027 0 40 FKAB CCCCc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 6481314 RMFHJALCIGPILE-UHFFFAOYSA-N 370.543 5.331 0 40 FKAB O=C(NC1CC1)[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 6989773 DRNJGNLXVLYOEW-INIZCTEOSA-N 370.663 5.046 0 40 FKAB COc1ccc(-c2cc(C)c3ccccc3n2)cc1CSc1ncccn1 7847554 ZUSJWEFSQZXALW-UHFFFAOYSA-N 373.481 5.301 0 40 FKAB CSc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8102924 NVHRFJZYCLNGBT-AWEZNQCLSA-N 368.527 5.038 0 40 FKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1 9141438 MODNUBUALKKQET-VQHVLOKHSA-N 358.224 5.905 0 40 FKAB O=C(c1ccccc1F)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10543140 ZQYZEAKUUSFTIO-UHFFFAOYSA-N 374.868 5.109 0 40 FKAB CCc1sc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1C 12643151 KSTFNCPLCFEHND-UHFFFAOYSA-N 368.527 5.559 0 40 FKAB COc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1 16842561 HRXFADISOOTXQE-UHFFFAOYSA-N 361.470 5.006 0 40 FKAB Clc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1Cl 19292625 VHOPMNVOBLUBFU-AWEZNQCLSA-N 369.342 5.585 0 40 FKAB CCCc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2s1 22254915 AQMUTUSJTSQNLH-UHFFFAOYSA-N 364.392 5.520 0 40 FKAB Cc1oc(-c2cccs2)nc1COc1ccc(F)cc1Br 23021397 IPGYBHJLYRRGIN-UHFFFAOYSA-N 368.227 5.192 0 40 FKAB COc1ccccc1-c1cc(COc2ccc(Cl)cc2Cl)on1 25058845 IPBGAJWMLVKXQP-UHFFFAOYSA-N 350.201 5.236 0 40 FKAB O=C(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccccc1 28210478 RRBOQIBVEYYQAV-UHFFFAOYSA-N 369.386 5.548 0 40 FKAB CC[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC(C)=C1c1ccccc1C 31830009 UDMSAUKWVVBPKY-IBGZPJMESA-N 360.501 5.577 0 40 FKAB O=C1C[C@@H](c2cccc(Cl)c2)c2snc(-c3ccc(F)cc3)c2N1 35324482 WLOOHWGUECWPBZ-AWEZNQCLSA-N 358.825 5.077 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351964 YKMBGNYMTDNQTG-IERDGZPVSA-N 369.505 5.028 0 40 FKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@H]2O 65734644 KTONJCQNAMVMHS-RXFVIIJJSA-N 362.513 5.483 0 40 FKAB in-vitro Clc1ccc(CN(Cc2ccc(Cl)cc2)C[C@H]2CCCCN2)cc1 72202942 WENFUJHSGIDPNY-HXUWFJFHSA-N 363.332 5.138 0 40 FKAB CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72214404 NEEBFTCUNCZNKS-IBGZPJMESA-N 367.493 5.156 0 40 FKAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Cl)cc1 106686393 RHQFQUYVFBJOEK-DHDCSXOGSA-N 364.253 5.230 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 216371293 TVJVYULGGDBIFG-GCJKJVERSA-N 367.533 5.636 0 40 FKAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 218930932 YHZMVHAJLTUGIC-KRWDZBQOSA-N 367.533 5.538 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219324914 GZGNNKZEYGSUBU-WOJBJXKFSA-N 359.897 5.382 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1C(C)C 223341750 NTDNBMBQROPZLO-QZTJIDSGSA-N 369.505 5.080 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 224066931 HGTNCTLSJLKLBW-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(Br)c2)c(C)c1 225475529 YGWUSTVZDNGEPM-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3N)o2)cc1Cl 226348380 OACCNZFWGGBPPE-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(C)c(C)c1 408561977 MHJOBQFTUDMUPW-DQRAZIAOSA-N 368.502 5.140 0 40 FKAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccc2ccccc2c1 408585464 FELMKMPIKYGNTJ-UHFFFAOYSA-N 366.829 5.476 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc(C)c1Cl 408706088 VBATZYJBHYGLSR-NSHDSACASA-N 372.679 5.670 0 40 FKAB CC(C)(C)SCCNC(=O)c1ccc(CSCc2ccccc2)cc1 408927329 ZAYOPSAOYDWFHQ-UHFFFAOYSA-N 373.587 5.382 0 40 FKAB Brc1ccc(COc2ccccc2CNc2ccccc2)cc1 409122069 YREGEUSGPPJOTR-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccco4)nn13)NC(C)(C)C[C@@H]2C 575473271 PZMRPVSTLZWGGJ-AWEZNQCLSA-N 373.460 5.057 0 40 FKAB Cc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(C)c1 1775978922 VVSAGUADOLFEDP-UHFFFAOYSA-N 365.665 5.031 0 40 FKAB Brc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 1000345 PCPQPHGTXANOAA-UHFFFAOYSA-N 374.307 5.111 0 40 FKAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2C)c2c1cc(O)c1ccccc12 1103113 UECJKDNQJUNIOX-UHFFFAOYSA-N 373.452 5.591 0 40 FKAB biogenic Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3CCC1 1428318 JIGSKSBKCUXNKT-HXUWFJFHSA-N 364.876 5.137 0 40 FKAB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1ccc(Cl)cc1 1463143 BURPUYMQBPQTPK-QFIPXVFZSA-N 373.839 5.835 0 40 FKAB CCCCCCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1O 2132609 DACKMMBUBIBVNM-UHFFFAOYSA-N 352.430 5.392 0 40 FKAB biogenic Cc1cc(Nc2ccc(C(C)C)cc2)n2nc(C)c(-c3ccccc3)c2n1 2238642 LTPWHKBZYMIOGK-UHFFFAOYSA-N 356.473 5.880 0 40 FKAB O=C(CSc1nc2ccccc2o1)c1ccc(C2CCCCC2)cc1 3218324 UEPXAYSRSKQTMY-UHFFFAOYSA-N 351.471 5.851 0 40 FKAB Cc1ccc(-c2csc3ncnc(Nc4ccc5ccccc5c4)c23)cc1 3301590 WDEWYDJOKIDENU-UHFFFAOYSA-N 367.477 6.564 0 40 FKAB Cc1ccc(C)c(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1 3359738 PFBAKOBTJOASMZ-UHFFFAOYSA-N 372.540 5.255 0 40 FKAB Cc1ccc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(C)c1 3452352 NDBLPWGLDNCKLD-UHFFFAOYSA-N 371.505 6.427 0 40 FKAB O=C(/C=C/c1ccccc1)Oc1ccc2c(Br)cccc2c1 4666579 ZPXVWGPUCJIQHH-FMIVXFBMSA-N 353.215 5.221 0 40 FKAB COc1cccc(-c2cnc(NCc3c(Cl)cccc3Cl)n2C)c1 4679287 WWYKRBHPQCTGFX-UHFFFAOYSA-N 362.260 5.015 0 40 FKAB Cc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1 5192612 AGGSIZXNNXOTNP-UHFFFAOYSA-N 372.490 5.379 0 40 FKAB CSC1=Nc2ccccc2S[C@@H](c2ccccc2)[C@@H]1c1ccccc1 5519064 DHHILVGNVAZUMP-SFTDATJTSA-N 361.535 6.710 0 40 FKAB Cc1cc(=O)oc2c1c(C)nn2-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5792740 ZQXTXEISOWRCAF-UHFFFAOYSA-N 374.484 5.063 0 40 FKAB Clc1ccccc1NCc1ccccc1Oc1ncnc2sccc12 5937569 NFDUTIRSCAOANG-UHFFFAOYSA-N 367.861 5.749 0 40 FKAB CCc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6356201 DWCOVXITMISVNV-UHFFFAOYSA-N 351.258 5.418 0 40 FKAB O=C(CCCc1nc2ccccc2s1)N1CCC[C@@H]1c1cccs1 6608221 SYPZUUQREDYAFS-OAHLLOKOSA-N 356.516 5.044 0 40 FKAB CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8227110 ANZMXRSYTNLYMO-UHFFFAOYSA-N 360.284 5.835 0 40 FKAB Cc1ccc(Oc2ccccc2NC(=O)c2cc(=O)c3ccccc3o2)cc1 8312508 WECJDEWODXFXOS-UHFFFAOYSA-N 371.392 5.146 0 40 FKAB CCCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl 9141066 DUFIRXCRGFPBLZ-UHFFFAOYSA-N 356.853 5.975 0 40 FKAB Cc1ccc(NC(=O)c2sc3nc(-c4ccc(C)cc4)ccc3c2N)cc1 12250935 HGXYRXVPRJFASD-UHFFFAOYSA-N 373.481 5.415 0 40 FKAB CC(C)=CCC/C(C)=C\CC[C@@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 15215492 JQLNFODDCYXPCO-DTRCLPHYSA-N 364.485 6.430 0 40 FKAB Cc1ccc(SCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 17075924 REIMYYLLMMGCMR-UHFFFAOYSA-N 370.465 5.093 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(-c4cccc(C)c4)o3)co2)cc1 31648202 WUVCVUFTUAUWEC-UHFFFAOYSA-N 363.442 5.301 0 40 FKAB Fc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C2CC2)cc1 32604182 UUTOFQXCDQHEQJ-UHFFFAOYSA-N 359.857 5.365 0 40 FKAB CSc1nn(CNC2(c3ccc(Cl)cc3)CCCC2)c(=S)s1 58171462 CFPRYJRZZVOXQF-UHFFFAOYSA-N 371.984 5.066 0 40 FKAB CCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1 60073201 IBFAIOMGVHPWRQ-UHFFFAOYSA-N 358.472 7.104 0 40 FKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(C(C)(C)C)cc3)C2=C(O)C1 102645519 MKWWRGOFQGIZNA-QHCPKHFHSA-N 374.528 6.856 0 40 FKAB COc1ccc(NCc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 106983073 MTMAOYWFSMTDAI-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1Cl 193404844 OFKJWSACLHZNRK-UHFFFAOYSA-N 358.228 5.011 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219587555 IPWZSKPFONJARL-DYESRHJHSA-N 353.506 5.327 0 40 FKAB CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)c(C)c1 224014660 CTNQIAXZDDDEKI-SFHVURJKSA-N 357.519 5.385 0 40 FKAB Cc1cccc([C@H](NC(=O)Cc2ccc(Cl)cc2F)c2ccccc2)c1 225217263 DHZIVHZWQHOYFL-JOCHJYFZSA-N 367.851 5.236 0 40 FKAB CCOc1cccc(NC(=S)NCCCSCc2ccccc2C)c1 225601373 JPBQAYWMAAWNEX-UHFFFAOYSA-N 374.575 5.004 0 40 FKAB COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253609817 PDFYDMTVIFSSKW-XGMMTWQKSA-N 372.593 6.401 0 40 FKAB C[C@@H]1O[C@@H]2c3cc(O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257319859 VUJBXUSGUYCXJP-FAIHEYFBSA-N 358.865 5.467 0 40 FKAB CC(C)c1cc(Br)ccc1C(=O)c1cc(Cl)cc(Cl)c1 408602387 NCWUYACHRKNIOG-UHFFFAOYSA-N 372.089 6.110 0 40 FKAB CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 408832295 RVDJJARTLMZEPX-UHFFFAOYSA-N 356.878 5.668 0 40 FKAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC(=O)c3ccccc32)o1 670789675 UWGVKLFTYMXTIC-UXHICEINSA-N 365.473 5.046 0 40 FKAB Cc1c(-c2ccncc2)c(C)c(-c2ccncc2)c(C)c1-c1ccncc1 1857791203 VPXMOBBDEOKAOS-UHFFFAOYSA-N 351.453 5.798 0 40 FKAB Cc1ccccc1C[C@@H](Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 824050 DYHISQYSEXDNMC-SFHVURJKSA-N 366.468 5.317 0 40 FKAB CC(C)CCOc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 1303200 OZMPUUNMCBBTHH-HSZRJFAPSA-N 365.517 5.174 0 40 FKAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(C)(C)C)n3)ccc21 1355511 CVPOUBFLWFBUSU-UHFFFAOYSA-N 371.550 5.346 0 40 FKAB Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)c(C)c3)c2)cc1C 2028834 DKURDVKTTOEVAP-UHFFFAOYSA-N 374.436 5.359 0 40 FKAB biogenic S=c1sc2ccccc2n1CSc1nc(-c2ccccc2)no1 2388818 VMIZJJLLVMITKH-UHFFFAOYSA-N 357.485 5.232 0 40 FKAB Clc1ccc2c(Cl)nc(-c3ccc(Br)cc3)nc2c1 2527441 NGPYFVCYASNVSI-UHFFFAOYSA-N 354.034 5.366 0 40 FKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2sc3ccccc3c2Cl)cc1 2628223 JQMKZGVXKXAQCY-GFCCVEGCSA-N 358.846 5.291 0 40 FKAB CC(C)OC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C1CC1 2763722 RWJVCDISYIZRIT-UHFFFAOYSA-N 371.502 5.452 0 40 FKAB CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3296593 QDGVFGSQUVCUJZ-UHFFFAOYSA-N 367.880 5.111 0 40 FKAB CCOc1cc2c(cc1OCc1ccccc1)CCN(C)[C@H]2CC(C)C 3847343 KQYDZTUSKUWWMV-NRFANRHFSA-N 353.506 5.239 0 40 FKAB biogenic Cc1ccc(CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1 4130050 HSKAGJOIYOIXOH-UHFFFAOYSA-N 360.457 6.037 0 40 FKAB S=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)C[C@H]1CC=CCC1 4180507 GUXQLQTVIRSWQC-SFHVURJKSA-N 370.949 5.895 0 40 FKAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1c(C)cccc1C 4849276 APQROFQBPYMPEJ-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)o3)=NN12 5016909 WIRVTZIMLLILAE-COFLGROHSA-N 350.462 5.428 0 40 FKAB Cc1ccc2c(c1)C(c1ccccc1)=NN=C(c1ccc(C(C)(C)C)cc1)N2 6089074 MKQGHCNNMOFRNK-UHFFFAOYSA-N 367.496 5.917 0 40 FKAB CCCCCNc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@H]21 6310120 UPBSWHJFBKBOQN-DYESRHJHSA-N 370.566 5.719 0 40 FKAB CCOc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCC2)cc1 6870351 JVYAVZRZKMTOKB-UHFFFAOYSA-N 370.880 5.010 0 40 FKAB Cc1nc2sccn2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 6908668 FTBTZUCCBXFNSS-UHFFFAOYSA-N 356.454 5.428 0 40 FKAB COc1ccc(CNCc2ccc(OCc3ccccc3Cl)cc2)cc1 7538290 SLSIKTZFVFDCAF-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccc1)c1ccco1 7808743 ISJJJNMXMYPTDA-LJQANCHMSA-N 360.240 5.035 0 40 FKAB COc1ccc(-c2nc(CSCc3cccc(OC)c3)cs2)cc1 12931286 GOVVLFAWPJDXQT-UHFFFAOYSA-N 357.500 5.261 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19690783 DREGOTZIOPPSJA-QHCPKHFHSA-N 374.459 5.102 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 20459459 JUDVJRXZQTWVKE-GOSISDBHSA-N 373.374 5.655 0 40 FKAB CCCCCNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 23114973 UPFIZAFYCVTDDQ-UHFFFAOYSA-N 362.399 5.326 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1Cc1ccccc1 30763991 RZCMELKWRFEQNG-QGZVFWFLSA-N 368.527 5.027 0 40 FKAB Cc1cc(C(=O)CSCc2csc(-c3ccco3)n2)c(C)n1C1CC1 31420708 XAMVCXJQCGGLFU-UHFFFAOYSA-N 372.515 5.272 0 40 FKAB C[C@@H](C1CC1)N(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CC1 48287528 OUQDCLKBEOJRQY-INIZCTEOSA-N 356.469 5.305 0 40 FKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2CCCCC)cc1 71326326 QSEQCHPBPJSBOB-UHFFFAOYSA-N 370.543 5.584 0 40 FKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1c1cc(C)nc(-c2ccncc2)n1 72280817 AZIBCNRCPOKMJF-LEWJYISDSA-N 358.489 5.010 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 78458586 ISJKKGSXKLGPCF-HXOBKFHXSA-N 361.485 5.437 0 40 FKAB Cc1ccc(NC(=O)N2CCCCC[C@@H]2C[C@H](O)c2cccs2)s1 79046233 JNPQMBLJHKQJOB-CABCVRRESA-N 364.536 5.018 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCCC1 84335395 ZQJILFHSINWZGK-UHFFFAOYSA-N 354.294 5.132 0 40 FKAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Cl)c1 95946225 FGPWHXFOIJXCPX-LJQANCHMSA-N 364.832 5.233 0 40 FKAB Cc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1C 141011193 LWSWSBPQCRALGW-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB O=C(N(Cc1ccccc1)Cc1ccccc1)C1(c2ccccc2)CCCC1 224981826 QWLNVDGOPMCSMI-UHFFFAOYSA-N 369.508 5.727 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C 225365413 SXTQYLMSWVNGMQ-WZONZLPQSA-N 365.517 5.217 0 40 FKAB Cc1cccc([C@@H](NC(=S)Nc2ccccc2F)c2ccccc2)c1 225698653 KEXULGFVZIJAAB-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)C(C)C 225761887 CSCNFRWIXLRQAJ-FQEVSTJZSA-N 356.535 5.466 0 40 FKAB FC(F)(F)c1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225849658 PWSOIGUACHZISI-UHFFFAOYSA-N 354.397 5.054 0 40 FKAB CC(C)Oc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 225934521 HBYXJLBKGDMTGC-UHFFFAOYSA-N 359.469 5.419 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1[C@@H](C)CCC[C@H]1C 226330030 ATXYIAIRMVDFJE-GASCZTMLSA-N 371.912 5.250 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H](CC[C@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]1C 257349874 SABPQGKCDGUYAI-MIPLCSNUSA-N 374.609 6.994 0 40 FKAB CCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 408583895 YJKVSPFRVJCMPC-UHFFFAOYSA-N 363.202 5.037 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 408705631 KGGOZYYPENXCLP-UHFFFAOYSA-N 358.652 5.445 0 40 FKAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)c2ccccc21 409120851 VGJSVHHNPQKTPO-JWGURIENSA-N 369.464 5.481 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 409129037 TZVWXWZLMILBNM-UHFFFAOYSA-N 361.510 6.355 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccn2)cc1 625036 VZPYQHUTLFACGL-UHFFFAOYSA-N 368.889 5.588 0 40 FKAB CC(C)Cn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 664193 VHVMLRYZSVZABT-UHFFFAOYSA-N 357.910 5.547 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2C)c2ccccc2C)cc1 1058614 BAWNHTVRPCGAOE-QHCPKHFHSA-N 355.481 5.557 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 1507509 QGQWVBKDEOLKBY-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB O=C1c2ccccc2-c2cc(Br)c(NCc3ccccc3)cc21 1706825 FKGLQQJDTIQSDI-UHFFFAOYSA-N 364.242 5.273 0 40 FKAB O=C(O)[C@H]1CCc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12 1722261 OSMADBDRFADZPJ-LADGPHEKSA-N 352.433 5.772 0 40 FKAB in-vitro CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(Cl)cc1C 1774756 DIJIPGOIWIKUFQ-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB FC(F)(F)[C@](F)(Cl)[C@](F)(Cl)Sc1c[nH]c2ccccc12 2256797 CBJUZZYVUOQKRP-VHSXEESVSA-N 350.139 5.589 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)OCc1c(Cl)cccc1Cl 3343416 CMTQTFFHSKCBKR-UHFFFAOYSA-N 364.055 5.586 0 40 FKAB c1ccc(Nc2nnc(SCc3nc4ccccc4s3)s2)cc1 3530641 PVIAXQIBRYYIOP-UHFFFAOYSA-N 356.501 5.184 0 40 FKAB Clc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl 4113838 WBODVDRXXHVWSX-YRNVUSSQSA-N 366.247 6.972 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1 5083664 APWMBNZSHQLXSP-UHFFFAOYSA-N 361.470 5.240 0 40 FKAB COc1ccc(Cn2c(-c3ccccc3)cn3c4ccccc4nc23)cc1 5687639 ATMBUDWVPUYWJU-UHFFFAOYSA-N 353.425 5.013 0 40 FKAB Cc1ccc(O)c(C(=O)[C@H](C)c2ncnc3scc(-c4ccccc4)c23)c1 5958682 VTGOFNHULVQEBI-CQSZACIVSA-N 374.465 5.359 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1cccc2ccccc12 8128276 UXVJOBREBJLOQS-HNNXBMFYSA-N 360.482 5.212 0 40 FKAB CC[C@@H](C)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8325866 FJKRLZTZGCXJCM-MRXNPFEDSA-N 353.893 5.960 0 40 FKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2cc(F)ccc2s1 11918012 QNWXTKFXAGKLEV-UHFFFAOYSA-N 369.417 5.334 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 13407498 KIQFUORWRVZTHT-DYUJYPRASA-N 374.565 5.715 0 40 FKAB CCc1cccc2cc3c(nc12)O[C@@H](C)CN(CCCc1ccccc1)C3 13563852 WXQXZEDADFVFND-SFHVURJKSA-N 360.501 5.013 0 40 FKAB CSc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 13717160 UVYDXXGTMXRADX-UHFFFAOYSA-N 364.495 6.243 0 40 FKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCc1cccc2cccnc12 14707587 NIOTTWOFNCXNMH-VQHVLOKHSA-N 358.224 5.298 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 19932083 NQSOBIQJTHUDPN-IBGZPJMESA-N 373.496 5.362 0 40 FKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 20454682 PMFBNFWNXRYQHE-UHFFFAOYSA-N 350.506 5.294 0 40 FKAB COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccc(C)cc1 20873932 NDXYZJJWVOZWQM-LJQANCHMSA-N 361.485 5.433 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25929550 TYNBMRMWLTYYBU-UHFFFAOYSA-N 370.811 5.193 0 40 FKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCC[C@H]1C 27601727 RJWYLFLJDHQHLY-LLVKDONJSA-N 368.424 5.152 0 40 FKAB COc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)c(Cl)c2)c1 27740359 NAIHPFWGRHYTNA-UHFFFAOYSA-N 371.889 5.566 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 30755864 HKGCXECRJCPWAA-HNNXBMFYSA-N 373.827 5.868 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 30849009 AETXXSAXAXDANW-OAQYLSRUSA-N 353.506 5.193 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@H]1c1ccc(F)cc1 58356972 OPUYXPLUZROKQP-NRFANRHFSA-N 363.432 5.382 0 40 FKAB CCCCCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O 67258991 BVIDGXDBICCCHV-UHFFFAOYSA-N 352.503 5.187 0 40 FKAB CCCCN1CCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 72214683 SJPJEGBTOQDLTL-GOSISDBHSA-N 361.530 5.170 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1C 98073304 GSWJJUZMLUMLSO-GOSISDBHSA-N 357.453 5.277 0 40 FKAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225074559 QICSHIGCBSRZDE-OAQYLSRUSA-N 366.844 5.390 0 40 FKAB C=Cc1c(N)c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn12 257173666 UQFBZGSDCNLWJN-UHFFFAOYSA-N 351.862 5.608 0 40 FKAB CCN(CC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 408547693 LKPKYZXNZNFOCR-UHFFFAOYSA-N 360.482 5.342 0 40 FKAB Clc1cccc(COc2ccccc2CNc2ccccc2Cl)c1 409183746 SJVGGGIMUDYVAT-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB COc1cccc2cc(C(=O)N[C@@H](C)Cc3csc4ccccc34)oc12 575619419 DWAGPKRYYJJBED-ZDUSSCGKSA-N 365.454 5.017 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1sc2cc(C)ccc2c1Cl 672944 RMMYJYMNRQVQMW-UHFFFAOYSA-N 366.269 5.777 0 40 FKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCCCC1 703513 MJPLEKDFARIYMC-UHFFFAOYSA-N 365.296 5.091 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 825780 ULGPZRXNYAPPET-JOCHJYFZSA-N 359.444 5.387 0 40 FKAB Cc1cccc(NC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)n1 1089602 DKEBRAVDBQYHJQ-UHFFFAOYSA-N 370.811 5.014 0 40 FKAB C[C@H]1CC(C)(C)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 1438059 SOHTYEKCCZMIQM-LBPRGKRZSA-N 363.288 6.318 0 40 FKAB Cc1nc(Nc2c(C)cccc2C)c2c(C)c(Cc3ccccc3)[nH]c2n1 1584923 SXOVJYHHIJXLGL-UHFFFAOYSA-N 356.473 5.526 0 40 FKAB CCCCC(=O)n1ccc([C@@H](C)Oc2ccc(-c3ccccc3)c(F)c2)n1 4060684 DOELRHYKRLRSOB-MRXNPFEDSA-N 366.436 5.660 0 40 FKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCc2ccccc21 5685388 ZPGUIFANDVTYQJ-UHFFFAOYSA-N 356.450 5.166 0 40 FKAB O=C(CCCOc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 6154059 YPSOXUDLUDCSGP-UHFFFAOYSA-N 371.440 5.028 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1C 6846295 NBPNPCMGFWBGLR-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB O=C(c1ccc(F)cc1)N(Cc1ccccc1)c1nc2ccccc2s1 7573523 FZZGWAHXRWHAMI-UHFFFAOYSA-N 362.429 5.282 0 40 FKAB CC(C)Sc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 7598019 QOJQPSFVELVRIB-UHFFFAOYSA-N 354.500 5.563 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8493302 AKTZNCASAJUHLM-UHFFFAOYSA-N 373.827 6.112 0 40 FKAB COc1cc(SC)ccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 12524946 RZMFTUNIRNYOEM-UHFFFAOYSA-N 370.518 5.050 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)cc1Cl 12881288 ZSMYXLQSJFBZCK-UHFFFAOYSA-N 352.843 5.225 0 40 FKAB CC(C)Oc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 15831770 RPNUADCGJJBCDR-UHFFFAOYSA-N 367.420 5.049 0 40 FKAB CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757640 SGEMOURSQSLHFW-UHFFFAOYSA-N 359.498 5.898 0 40 FKAB C[C@@H](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 16963708 IHQZPPFHGIQFMM-SBUREZEXSA-N 361.510 5.416 0 40 FKAB O=C(Nc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1 22479665 OUOCPZYVSOBKET-UHFFFAOYSA-N 353.378 5.339 0 40 FKAB CC(C)Sc1ccc(CC(=O)N(CCc2cccs2)C2CC2)cc1 75154808 LABNRFGMOCIJBG-UHFFFAOYSA-N 359.560 5.025 0 40 FKAB Clc1cccc(Cc2cc3cc(Br)ccc3nc2Cl)c1 96675826 RWNZZCGAUFYIKT-UHFFFAOYSA-N 367.073 5.895 0 40 FKAB CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 100003453 ZVCPJOLFAYLVER-FXELSEDVSA-N 374.540 6.924 0 40 FKAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934646 ZFTMPARDUAODSX-FHDDYCINSA-N 360.538 5.024 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1 219312743 WIJCXFFOVVBCAA-FQEVSTJZSA-N 353.462 5.113 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219593090 JBHGNZGCEFMAMK-VXKWHMMOSA-N 369.505 5.065 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1F 223179463 IRVNXXOBIGPEKN-UHFFFAOYSA-N 372.292 5.024 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 223923631 GOYXBGJRKLSWPB-SFHVURJKSA-N 353.506 5.023 0 40 FKAB CCCSc1nnc(NC(=O)c2cc3c(ccc4ccccc43)o2)s1 224662025 GDYCWDPGICFXFU-UHFFFAOYSA-N 369.471 5.192 0 40 FKAB Cc1nc(-c2cccc(NC(=S)N[C@@H](C)c3ccc(F)cc3)c2)cs1 225181012 YCJDBOBDZVPROF-LBPRGKRZSA-N 371.506 5.305 0 40 FKAB CCCOc1c(C)cc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C 225666257 ACWMXLJRVMOECD-AOMKIAJQSA-N 361.526 5.406 0 40 FKAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1Cl 225719370 ZDUGDGWIHHMIIU-LIRRHRJNSA-N 353.890 5.053 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225932438 DSNGIIHCAALGSA-UHFFFAOYSA-N 372.896 5.363 0 40 FKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408880828 HOQRNVKUJKDBMV-QGZVFWFLSA-N 363.482 5.385 0 40 FKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc(Cl)c1 409027687 GGPJJOFEVKLJBI-UHFFFAOYSA-N 374.720 5.310 0 40 FKAB CCO[C@H](c1ccccc1)c1noc(C2(Cc3ccccc3Cl)CC2)n1 581752341 VHJBJCQUHVKHKS-GOSISDBHSA-N 368.864 5.123 0 40 FKAB c1ccc(/N=c2\oc3ccccc3cc2-c2nc(-c3ccccc3)no2)cc1 1775968999 RHTXCQYXOURVPQ-GYHWCHFESA-N 365.392 5.382 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1C 851906 SQNAVRCWTUWZGR-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB Cc1ccc2c(c1)[C@H](S(=O)(=O)c1ccccc1)c1ccccc1S2 948673 IERQLVVSMFAARX-HXUWFJFHSA-N 352.480 5.023 0 40 FKAB CCOC(=O)c1ccc(-c2c(C)oc3cc(OC)c(CC)cc3c2=S)o1 1280530 FFPCEGOKJWETQW-UHFFFAOYSA-N 372.442 5.478 0 40 FKAB biogenic Cc1ccc(-c2csc(CCNC(=O)Nc3ccc(Cl)cc3)n2)cc1 1415147 OUKZGTACNZSWGC-UHFFFAOYSA-N 371.893 5.136 0 40 FKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 2073134 ZYDKRRXASPRCPP-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB CCCCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2282429 DSDHJMAHLKECON-UHFFFAOYSA-N 370.522 5.083 0 40 FKAB Cc1cc2oc(=O)c(-c3ccccc3)c(Cc3ccccc3)c2cc1Cl 2581708 ANNOQGRREDTPPE-UHFFFAOYSA-N 360.840 6.013 0 40 FKAB biogenic O=C(Nc1ccc(F)cc1F)C(Cl)(c1ccccc1)c1ccccc1 2735642 ZGJIHALAEQWIGO-UHFFFAOYSA-N 357.787 5.086 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2746086 ADZOSHKRQBNTJI-CYBMUJFWSA-N 366.288 5.742 0 40 FKAB CCOc1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)c(=S)[nH]2)cc1 2957815 CXDLLAHHJPGLQN-UHFFFAOYSA-N 364.392 5.619 0 40 FKAB Cc1ccc(OP(=O)(Nc2cccc(C)c2)Oc2ccc(C)cc2)cc1 3124067 FCGBDIFLQYBBHM-UHFFFAOYSA-N 367.385 6.290 0 40 FKAB Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 3314694 PHFAEECJARDHAK-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Cc1c(Cl)ccc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 4331415 HNMZZMWNEPQKEK-UHFFFAOYSA-N 360.866 5.298 0 40 FKAB CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 4545294 YVAFQUMECCVSPX-XYOKQWHBSA-N 367.904 5.219 0 40 FKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1c(Cl)cccc1Cl 4679288 OCSPZJKBDKECFU-UHFFFAOYSA-N 366.679 5.659 0 40 FKAB Clc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 5072595 VGCRWRWRDKZRAP-UHFFFAOYSA-N 370.843 5.736 0 40 FKAB O=C(CCC1CCCCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 5083859 JWMJDRSZZCOIFU-UHFFFAOYSA-N 353.491 5.362 0 40 FKAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(C(C)=O)c(C(C)C)cc3CC[C@@H]12 5963386 HFNSWUWOTLFFOE-AKIFATBCSA-N 356.506 5.196 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 6176163 GVDKWUMOTHWVFC-HXUWFJFHSA-N 357.497 5.346 0 40 FKAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 6262689 MDMPXFJCTYWIPC-UHFFFAOYSA-N 362.267 5.008 0 40 FKAB CCCC(=O)Nc1ccc2nc(SCc3ccc(C)cc3)sc2c1 8673824 CJNMCWIYHFCBJZ-UHFFFAOYSA-N 356.516 5.636 0 40 FKAB Cc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccs2)cc1Cl 9577456 JQDZNLZDOIPSNU-ZDUSSCGKSA-N 357.866 5.328 0 40 FKAB C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 10275979 FIQIXCWWAYHCBV-GOSISDBHSA-N 365.561 6.092 0 40 FKAB O=C(c1ccccc1F)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185194 ZBWGOWWPNADYPV-KRWDZBQOSA-N 370.449 5.300 0 40 FKAB CCCn1c(SCc2cc(C)on2)nc2ccc(C(F)(F)F)cc21 12520465 SFTKDYIJRWCBKM-UHFFFAOYSA-N 355.385 5.054 0 40 FKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 13655263 LRJJDGUBMUCTPM-UHFFFAOYSA-N 362.351 5.028 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 19933598 HHDHSNRKOWJYLF-KXBFYZLASA-N 361.938 5.705 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 20112192 GHQHCCFDBZNKKG-IGVGMEOHSA-N 361.872 5.567 0 40 FKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 24841799 CSDZZJVWZUKCJD-UHFFFAOYSA-N 356.450 5.272 0 40 FKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)cc1 27585875 XBWDWYDYAYCDJH-UHFFFAOYSA-N 370.500 6.099 0 40 FKAB Cc1cc2oc(C(=O)Nc3cc(-c4ccc(F)cc4)no3)c(C)c2cc1C 28287929 FMVWKAVAAUMEDC-UHFFFAOYSA-N 364.376 5.404 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CNc1cccc(OC2CCCC2)c1 29943584 GQHHEOHEBLQBQD-UHFFFAOYSA-N 358.869 5.020 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 33374179 VSVORUIMESBOHI-OIBXWCBGSA-N 355.566 6.056 0 40 FKAB C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1nc(C(C)(C)C)cs1 78546617 MYLBUGXWIAIHDP-CHWSQXEVSA-N 363.552 5.110 0 40 FKAB CCOc1c(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)cccc1OC 101014851 LLBUDRKCTDJQMO-FQEVSTJZSA-N 373.452 5.099 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCC 106959577 NUGMRADQSRRAAR-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224453689 YJONAOBHOAHPFU-JOCHJYFZSA-N 359.469 5.351 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc2ccccc2c1 225089132 DCDZCBNHQCLLCN-GOSISDBHSA-N 361.224 5.221 0 40 FKAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225801214 BYODNHRMXRZCSZ-AOMKIAJQSA-N 357.494 5.551 0 40 FKAB O=C(Nc1ccccc1Cl)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245377218 IZWQCYGTDFVOLL-CYRTVHNOSA-N 358.696 5.135 0 40 FKAB aggregator Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1 409121706 ZNNHCBLTIALGTJ-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Clc1ccc(COc2ccc(CNc3ccccc3Cl)cc2)cc1 409183329 RPACKSWGCBSVIE-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB C[C@@H]1CCc2c(C(=O)Nc3nc4c(Cl)cccc4s3)csc2C1 648089 RJWZYDAMLUMCLA-SECBINFHSA-N 362.907 5.388 0 40 FKAB Clc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ccccc2S1 970702 DKZBDAGBXTZEOE-IBGZPJMESA-N 355.915 6.759 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 996612 VRSXRDPSDBYIDZ-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB Cc1ccc(-c2nnc(Oc3ccc4c(c3)OCO4)c3ccccc23)cc1 1061159 LFLLLXHOEKBXPP-UHFFFAOYSA-N 356.381 5.126 0 40 FKAB CCC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1 1248163 DTBCCBFWWGVCJG-OAQYLSRUSA-N 365.448 5.380 0 40 FKAB Cc1c(-c2ccc(Cl)c(Cl)c2)noc1-c1ccc(Cl)c(Cl)c1 2733336 OLKMVZKIJLEEEG-UHFFFAOYSA-N 373.066 6.931 0 40 FKAB CC(C)CN(C(=O)Nc1cccc(Cl)c1)c1nc2ccccc2s1 3236900 DXSPPDATVHXHSE-UHFFFAOYSA-N 359.882 5.644 0 40 FKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1nc2ccccc2s1 3316528 NBCUBNGLCSBJGX-CMDGGOBGSA-N 363.360 5.072 0 40 FKAB COc1ccccc1CNc1nc(-c2ccc(C(C)(C)C)cc2)cs1 3338250 QTYYELQPVHQJAR-UHFFFAOYSA-N 352.503 5.728 0 40 FKAB CCN(Cc1ccccc1)C(=S)Nc1ccc(Oc2ccccc2)cc1 3338630 FXRHLCCAIGIFMW-UHFFFAOYSA-N 362.498 5.698 0 40 FKAB Cc1ccc(NC(=O)CCCSc2ccccc2)c(Br)c1 3440081 MJQWEIUYQDEQNV-UHFFFAOYSA-N 364.308 5.269 0 40 FKAB CCc1cccc(CC)c1NC(=S)N1CCCC[C@@H]1c1cccnc1 3893376 FBMREJYABRDDRL-LJQANCHMSA-N 353.535 5.130 0 40 FKAB CCO[P@](=O)(/C=C(\Cl)c1ccccc1)[C@H](O)c1ccc(F)cc1 4897832 RLQQPABUYWLQBH-STBWGQHPSA-N 354.745 5.369 0 40 FKAB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)C(C)C)oc12 5482962 VNOIYWBGNJRGND-UHFFFAOYSA-N 355.821 5.016 0 40 FKAB Cc1ccccc1-n1c(S[C@H](C)c2ccccc2)nnc1-c1ccncc1 12642348 YWNZEPGZDSVJLU-QGZVFWFLSA-N 372.497 5.491 0 40 FKAB CCC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 12798031 JGAKOICSNCZSLJ-MRXNPFEDSA-N 356.516 5.072 0 40 FKAB Cc1ccccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12999668 ZPRLATAKFFDTJU-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB Cc1cccc(C)c1NC(=S)N(Cc1ccco1)Cc1ccccc1O 15513271 NUVVNFGJCBTZQI-UHFFFAOYSA-N 366.486 5.001 0 40 FKAB C1=CC(=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)C=C1 20412959 NMFNSRVZQCRWRG-HHHXNRCGSA-N 374.487 6.552 0 40 FKAB Cc1cccc(C(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)c1 21102309 RMBIVLAKJAQNIV-UHFFFAOYSA-N 359.454 5.162 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C 30873520 VNYDABOUQXJHPA-INIZCTEOSA-N 354.302 5.811 0 40 FKAB CCCCCn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 67258993 LTGYGPKTTYKOAI-UHFFFAOYSA-N 366.530 5.496 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1 78579492 VDKDGGAAWAQPCH-IBGZPJMESA-N 359.469 5.017 0 40 FKAB CCCCc1ccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1 95950229 KWYIXVHWPFBZGZ-UHFFFAOYSA-N 373.562 5.744 0 40 FKAB Cc1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC=C[C@@H](c4ccccc4)N32)cc1 104145803 QGYCSPJHNUOMPZ-WDGKENEZSA-N 350.465 5.478 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118933858 OIHORBOMFNFQBP-AGMXPYKQSA-N 360.538 5.166 0 40 FKAB biogenic CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219572677 ABKFUEXSYOMXPO-HNAYVOBHSA-N 357.469 5.158 0 40 FKAB CCc1ccc(CCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223350560 OYMSISDOXHHZIX-GOSISDBHSA-N 367.533 5.499 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224234824 ABUZXPMRLNYMGE-KRWDZBQOSA-N 369.505 5.316 0 40 FKAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC[C@H](C)C1 225810251 GWDCAOKPOUTWSZ-GAJHUEQPSA-N 369.505 5.408 0 40 FKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1C 408588466 WIAAIUFOTZDPKD-UHFFFAOYSA-N 352.261 5.733 0 40 FKAB Ic1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 685937873 YBPLYLZGIAAHJS-UHFFFAOYSA-N 373.193 5.146 0 40 FKAB COc1ccc2ccccc2c1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 627852 NOMPKYSKCOLZOD-HSZRJFAPSA-N 355.441 5.301 0 40 FKAB Cc1ccccc1[C@H]1Sc2ccccc2N=C2c3ccccc3C(=O)[C@@H]21 828886 DBNIJUSZXPFFCJ-NFBKMPQASA-N 355.462 5.775 0 40 FKAB CN(CCc1ccc(-c2ccccc2)cc1)C[C@H]1CCCc2cc(O)ccc21 1482928 UTBRFUHMQQIVFL-XMMPIXPASA-N 371.524 5.654 0 40 FKAB O=C(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 1672044 HBLSZXRYFSCREB-UHFFFAOYSA-N 352.000 5.878 0 40 FKAB COc1ccc(C2=C[C@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1 2917783 PCGOGLATQXDYNC-HSZRJFAPSA-N 367.452 5.409 0 40 FKAB O=C(c1ccc(Br)cc1)N(C1CCCCC1)C1CCCCC1 3193190 CFPQPOGTCPLGSE-UHFFFAOYSA-N 364.327 5.557 0 40 FKAB Cc1ccc(-c2nnc(Nc3ccc(F)c(Cl)c3)c3ccccc23)cc1 3244621 XFKNJMHGAAKJCI-UHFFFAOYSA-N 363.823 6.141 0 40 FKAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)c3cccs3)ccc12 4340157 VWIXVPZWRMWZIR-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB biogenic Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c(C)c1 5394297 ORYJSTJWEUWNMD-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 6243475 BDIAZRRATJMPJH-HNNXBMFYSA-N 370.518 5.114 0 40 FKAB CC(C)COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 6262868 UVWOONCLEOSIAI-UHFFFAOYSA-N 360.866 5.237 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCC1 6638102 ULWDFFBLBSIUEA-UHFFFAOYSA-N 360.529 5.729 0 40 FKAB aggregator CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1F 6882534 LPXJMSVMLXFCFD-UHFFFAOYSA-N 366.274 5.055 0 40 FKAB CC[C@@]12CCC3=C(C1=CC[C@H]2OC(C)=O)[C@H](C)Cc1cc(OC)ccc13 6934178 GIYSITPKERYJBK-LMIFWLCCSA-N 352.474 5.093 0 40 FKAB Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1 8475549 IQBZDEXZVAZAKB-UHFFFAOYSA-N 373.283 5.390 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(C(F)(F)F)c1 11689902 KPTFFKHXOMYUQM-UHFFFAOYSA-N 359.347 5.537 0 40 FKAB Cc1sc2nc([C@@H](C)Nc3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C 12553549 GRQRVJPGLUDABN-GFCCVEGCSA-N 355.507 5.072 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12889876 ZIXJMVRUOWDZIF-UHFFFAOYSA-N 359.473 5.045 0 40 FKAB Cc1c(C(=O)N(CC(C)C)CC(C)C)sc2nc(-c3ccccc3)cn12 16740396 CRWDECLECLGHKU-UHFFFAOYSA-N 369.534 5.125 0 40 FKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)c1 21579015 OLCCTNNDSYQHQY-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1Cl 24104683 NITMXIGSLRDWNK-UHFFFAOYSA-N 361.850 5.156 0 40 FKAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 25616286 FJCIUMMFIKXBGC-HNNXBMFYSA-N 368.864 5.147 0 40 FKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(F)cc1 33652617 TWYZOCFOYYKDLN-HXUWFJFHSA-N 368.791 5.260 0 40 FKAB C[C@@H]1CCc2c(c(-c3cccnc3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35324320 XKTALIIBCJAJNC-CQSZACIVSA-N 374.875 5.237 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351675 HTBXIPXCRCEZQZ-XMSQKQJNSA-N 367.533 5.636 0 40 FKAB CN(c1ccccc1)c1ccccc1NC(=O)N1CCC[C@@H]1c1cccn1C 70013857 XUWHSSVTNNIDQT-JOCHJYFZSA-N 374.488 5.162 0 40 FKAB Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 73639686 KQJZKRUDBCXCRZ-UHFFFAOYSA-N 364.242 6.233 0 40 FKAB COc1ccc(C[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1F 95962091 XHOXREILDQZVDX-MLMJSJRWSA-N 361.265 5.151 0 40 FKAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)cc1 96037264 ZICLTDMYLLELMC-UHFFFAOYSA-N 359.473 5.529 0 40 FKAB O=C(c1ccco1)c1coc2ccc(OCc3ccccc3Cl)cc12 96184246 CSGGCHGBLREOCK-UHFFFAOYSA-N 352.773 5.489 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105363484 GFPXAFZFUGVACR-SRVURFJDSA-N 357.494 5.269 0 40 FKAB biogenic CCC1(CC)C[C@H](NC(=O)c2ccccc2SC)c2ccccc2O1 223579945 VBUCBGLLFSINKC-KRWDZBQOSA-N 355.503 5.221 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 224336525 STQRBHLZFDYGGF-IBGZPJMESA-N 364.533 5.196 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCS/C1=C/c1cccs1 225233382 ZMFXQUQAUVOJSK-HMMYKYKNSA-N 363.507 5.603 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(N)c1 226348420 YZLZMSRSIJANSC-UHFFFAOYSA-N 354.837 5.360 0 40 FKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 257215054 COLLLHLVLIJRJT-ODGPQVTHSA-N 364.529 6.450 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 408679502 MTGRKIYHRSPCFI-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3ccc(F)cc3)nn2)cc1 575617793 MHGWUXWJFLWUDP-UHFFFAOYSA-N 354.428 6.234 0 40 FKAB COc1cccc(Cc2ccc([C@H]3CCCN3CCc3ccccc3)nc2)c1 585176610 VPWHOHXDAFUXIT-RUZDIDTESA-N 372.512 5.061 0 40 FKAB CC(C)[C@H]1CCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1615055509 ATPADHWCWGRLSB-IBGZPJMESA-N 373.487 5.802 0 40 FKAB CC(C)[C@@H]1CC2(CCN(C3CCCCC3)CC2)CO[C@H]1c1ccc(F)cc1 2037849937 QWMYNRUOTNTGEO-GOTSBHOMSA-N 373.556 5.974 0 40 FKAB CC1CCN(C(=O)c2cccc(COc3ccc4ccccc4c3)c2)CC1 672946 XWSWQWOMJYKHEK-UHFFFAOYSA-N 359.469 5.291 0 40 FKAB Oc1cc2ccccc2cc1-c1nnc(SCc2ccccc2Cl)o1 892354 OGALDROIDNSXSX-UHFFFAOYSA-N 368.845 5.541 0 40 FKAB CCc1ccc(C(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 986236 MCOIWGZGNLBYQG-UHFFFAOYSA-N 359.425 5.032 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(CC)c1)C3 2120937 HDXDTLBRMIRPJT-UHFFFAOYSA-N 363.457 5.055 0 40 FKAB biogenic CCCCc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 2124968 HGGCAPHUDVRLTE-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic CCCc1cc(NCCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 2214830 WLNCXZTZZCFWMS-UHFFFAOYSA-N 370.500 5.312 0 40 FKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 2215922 MGIMMTMGSXKXJU-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1cccc(N2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)c1 3131943 OIBDGWNZHSYBFE-UHFFFAOYSA-N 356.208 5.256 0 40 FKAB CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)cc2)c2cc(C)c(C)cc21 3900876 JVLAEOUIJQFUMG-UHFFFAOYSA-N 354.881 6.191 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1 4828770 FIWPMZXDLSBTPB-DSKINZAPSA-N 351.515 5.206 0 40 FKAB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccnc1 5589582 VKFZRPNLGVCYBM-QGOAFFKASA-N 358.828 5.206 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1Cl 5670394 OFPMYVVNJCAVAA-FNORWQNLSA-N 361.055 5.952 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 6965688 RMRGJNHIRIDFQP-WCAVRKLYSA-N 355.437 5.673 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 7080194 KKVVUXSJRZKOJN-LBPRGKRZSA-N 374.893 5.481 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2cc(Cl)ccn2)cc1 8076489 IWQUSMBEPRNSKJ-UHFFFAOYSA-N 368.820 5.178 0 40 FKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1ccccc1F 8207185 IDEQUSVSVJSULM-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1 8478780 SNZDXINSNPHEGZ-KRWDZBQOSA-N 363.482 5.552 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 8480642 NAUXMOJSWPEGCA-LLVKDONJSA-N 372.679 5.670 0 40 FKAB CN(Cc1nc2ccccc2s1)C(=O)c1sc2ccccc2c1Cl 10286740 YDPKOMFVBNUTJE-UHFFFAOYSA-N 372.902 5.437 0 40 FKAB C[C@@H]1Cc2cc(CNc3ccc(Br)c(Cl)c3)ccc2O1 10299688 DUCLRILPVMIWAG-SNVBAGLBSA-N 352.659 5.038 0 40 FKAB c1ccc(-c2cc3c(NCCc4c[nH]c5ccccc45)ncnc3s2)cc1 12614211 ZOOXWEYYWZCLDA-UHFFFAOYSA-N 370.481 5.494 0 40 FKAB O=C(Cc1cccc2ccccc12)N(Cc1ccco1)Cc1cccs1 14857329 QSDVHERINMSWGK-UHFFFAOYSA-N 361.466 5.266 0 40 FKAB CC[C@H](C)c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 16740593 GUHFKCWHKXREKT-IBGZPJMESA-N 370.496 6.177 0 40 FKAB Cc1ccc(C)c(O[C@H](C)CNc2cccc(OCc3ccccc3)c2)c1 19738470 ONHBUXGIVUGPNF-HXUWFJFHSA-N 361.485 5.762 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 20105266 FDHAYDOYOFSUBV-QGZVFWFLSA-N 374.267 5.943 0 40 FKAB O=C(NCCC1=CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 20459987 DARGSKNWPGHOGQ-UHFFFAOYSA-N 374.528 5.260 0 40 FKAB Cc1ccc([C@@H](NC(=O)Cc2csc(C(C)C)n2)c2ccccc2)cc1 31698738 YMNFDWZXBUCKFE-NRFANRHFSA-N 364.514 5.023 0 40 FKAB CC(C)(C)SCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 33607736 XXWMMHQHKVQZSJ-UHFFFAOYSA-N 370.893 5.177 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1SC 44903516 LWTUQESGXDUSED-GOSISDBHSA-N 351.471 5.358 0 40 FKAB CC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2)c2cccs2)cc1 57452031 GCCXHBLLOYYNTR-QFIPXVFZSA-N 364.514 5.189 0 40 FKAB Cc1c(F)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 67297528 XTYAMBQFSSLQDN-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCC2)cc1 75283093 UNMQCJVRFXVBSF-UHFFFAOYSA-N 370.496 5.448 0 40 FKAB Cc1ccc(NC(=O)c2c(Cl)nc3ccccc3c2Cl)cc1Cl 84183034 XZJNBROWYBKIDO-UHFFFAOYSA-N 365.647 5.756 0 40 FKAB COc1cc(CNc2ccccc2)ccc1OCc1cccc(Cl)c1 106960447 AYSHMMCDSWPBRD-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB Cc1ccc(Nc2ccc(C)cc2Br)c(Br)c1 116251482 ZHBZSWCIGANZSB-UHFFFAOYSA-N 355.073 5.572 0 40 FKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 218934684 QDFSQADLAWHQQR-OAQYLSRUSA-N 353.506 5.247 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1C(C)C 223327424 PKODLMZIMYFOGV-SFHVURJKSA-N 353.506 5.164 0 40 FKAB Cc1cccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225426651 IFSGSWMHVIEQBY-UHFFFAOYSA-N 358.816 5.154 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547181 NZRWZTAUTCWPOL-UHFFFAOYSA-N 355.453 5.455 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)c2ccccc12 225852144 CJGJRTYGTPCRIC-UHFFFAOYSA-N 369.505 5.697 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 250576604 PANYVYRJTHKGSX-IUCIOQMXSA-N 361.485 5.805 0 40 FKAB COC(=O)CCCC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358710 BHQVIHGGNAKGIN-UHFFFAOYSA-N 373.452 5.682 0 40 FKAB CCOP(=O)(OCC)O/C(=C/Cl)c1cc(Cl)ccc1Cl 1592113 SRZOWOUWGAIUTI-XYOKQWHBSA-N 359.573 5.728 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NCC[C@]4(C)[C@@H]3CC[C@]12C 2090692 SAWPPQLIWVGNDH-XAJZJVRXSA-N 359.642 6.670 0 40 FKAB biogenic CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccc(F)cc1 2418576 CREJVELYLQNZMA-OAQYLSRUSA-N 365.448 5.184 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1[P@](=O)(Nc1ccccc1)c1ccccc1 4069881 CPRRSKIORQJWCQ-WLNCWMDYSA-N 355.462 6.163 0 40 FKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 4599134 OKJCOZZGKBIVES-GOSISDBHSA-N 362.395 5.318 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1nc(Cl)ccc1Cl 4767471 UQFPZTYHBHQJGP-UHFFFAOYSA-N 366.288 5.660 0 40 FKAB CCN(CC)c1nc(/C=C/c2ccc(Cl)cc2)nc2c(OC)cccc12 5453968 NLDDVZWRFKITTK-SDNWHVSQSA-N 367.880 5.308 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1OC 5978794 RPNMDRYKPNYNOO-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC)C1=O 6323456 KYXXWJZCVRFZRB-AQTBWJFISA-N 355.459 5.075 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2)cc1 6558792 ZOKLXDWVMHHGKR-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1 7654600 VGURUEMGETVOPL-UHFFFAOYSA-N 364.392 5.277 0 40 FKAB Cc1nc(COc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cs1 7919417 PZFLCFKMLOGKMP-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB Cc1cc(C)c(OCC(=O)Nc2ccccc2-c2cccs2)c(C)c1 9112319 OCGBRJXZZLCIRD-UHFFFAOYSA-N 351.471 5.358 0 40 FKAB Cc1nc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc2o1 12599820 RKYKCQYVSHPINP-UHFFFAOYSA-N 356.425 5.297 0 40 FKAB Cc1cc(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)c(C)n1C1CC1 12609255 YKFAUCAHPPBKGE-MDZDMXLPSA-N 357.457 5.258 0 40 FKAB C[C@H]1[C@@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 12658000 DYGSLTDGTPXLQY-ZSHKUORVSA-N 355.305 5.524 0 40 FKAB O=C(CCSCc1ccccc1)NC(c1ccccc1)c1ccccc1 13688169 YFZFGHPDONOLTE-UHFFFAOYSA-N 361.510 5.216 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@@H]2c1ccncc1 14607112 LJYGZLXLAYRCHW-JOCHJYFZSA-N 364.452 5.367 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 17076337 SMHGTQBCJAHQMA-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O 18164896 IZLOUSRSKHUMQL-UHFFFAOYSA-N 372.424 5.037 0 40 FKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H]1c1cccs1 22131878 FVVXYIFPQDGKMA-OAHLLOKOSA-N 374.918 5.502 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22531109 ANYVIXQULMILHI-OAHLLOKOSA-N 356.897 5.133 0 40 FKAB O=C(NC1CC1)c1cc(Oc2ccc(Cl)c(Cl)c2)nc2ccccc12 24990629 JDKBPNKWIHTVIR-UHFFFAOYSA-N 373.239 5.226 0 40 FKAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccccc1C(F)(F)F 26071207 OZOFLHVURAAINP-UHFFFAOYSA-N 350.727 5.159 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820758 RVGVSOKFBAOUCH-LDTZHDHYSA-N 374.565 5.715 0 40 FKAB Cc1cccc(C)c1NC(=O)CSc1nc(C(C)C)nc2ccccc12 35290911 PAAXVLSRTBPNAN-UHFFFAOYSA-N 365.502 5.101 0 40 FKAB CCOC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 45919921 CQGNZCPLZFGCCI-UHFFFAOYSA-N 370.619 5.632 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc2oc(C3CC3)nc2c1 58402982 GXDKWBGJVKIGFL-LBPRGKRZSA-N 369.852 5.106 0 40 FKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ccc(O)cc1)c1ccccc1 59352107 MGCZXRWDASGAQI-QFIPXVFZSA-N 359.450 5.590 0 40 FKAB CC(C)c1ccc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 72390151 DBMWDEYUQLZKFJ-LJQANCHMSA-N 367.518 5.649 0 40 FKAB O=C(NCC12CC3C[C@H](CC[C@@H](C3)C1)C2)c1ccc(Cl)cc1Cl 100917824 DUZBJZBCURKBHL-HYBWSFCUSA-N 352.305 5.330 0 40 FKAB Cc1cc(-c2ccccc2)n2nc(-c3ccccc3)c(Br)c2n1 138246200 NOKVMVGRYJKVHJ-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB CCCCc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 140311476 LFQPFIWKDVVSEC-UHFFFAOYSA-N 359.469 5.861 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 216468584 UHSQTTDCKVPIML-LLVKDONJSA-N 371.786 5.327 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 218979417 KTXPMZVGXDPMIA-IBGZPJMESA-N 359.469 5.373 0 40 FKAB C[C@H](NC(=O)CSCc1ccccc1F)c1ccc(C(C)(C)C)cc1 222706108 XAENDRYBCWPHHV-HNNXBMFYSA-N 359.510 5.234 0 40 FKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222920340 AARBOOIPUOZYLG-HXUWFJFHSA-N 353.506 5.651 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 222968400 PPPOGYJWUWWUSS-RTWAWAEBSA-N 353.506 5.364 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCCC1 225708062 BPQXJUDIZLJNAV-UHFFFAOYSA-N 367.489 5.170 0 40 FKAB CCOc1ccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 854985 XHOIAAMDKSGDBG-QHCPKHFHSA-N 357.457 5.472 0 40 FKAB COc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3)c3ccccc32)cc1 855417 MDMIPIFZJMCCRT-VGOFRKELSA-N 372.468 5.287 0 40 FKAB Clc1cccc(Cl)c1CSc1nc2ccccc2n2cccc12 1048217 FQGSVAGPNWFPJO-UHFFFAOYSA-N 359.281 6.087 0 40 FKAB Cc1ccccc1S(=O)(=O)c1c(Cl)nc(C)c(-c2ccccc2)c1C 1386110 SFSXBZDFWNVANR-UHFFFAOYSA-N 371.889 5.160 0 40 FKAB Clc1ccc(Cl)c(COc2ncc(COc3ccccc3)s2)c1 1402015 RFWLAYKSDZBUSD-UHFFFAOYSA-N 366.269 5.608 0 40 FKAB O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3Cl)cc2o1 1940017 SLNXYBOPSJVAKL-UHFFFAOYSA-N 362.812 5.692 0 40 FKAB Cn1c(CC(=O)Nc2ccccc2)c(Sc2ccccc2)c2ccccc21 2200165 KHHVFOKNBWRRMT-UHFFFAOYSA-N 372.493 5.511 0 40 FKAB aggregator CCCCc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1 2633081 YCAUYGLKJWNSPV-UHFFFAOYSA-N 360.526 6.505 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Br 2740531 MYZVDPLBXJCMMZ-UHFFFAOYSA-N 368.230 5.494 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1sc2ccccc2c1Cl 3034955 VBVGHJAVQLAJER-UHFFFAOYSA-N 356.661 6.114 0 40 FKAB Fc1ccc(-c2cs/c(=N\c3ccccc3F)n2C2CCCCC2)cc1 3276467 KGFDZXQXFRIXNM-FLFQWRMESA-N 370.468 6.232 0 40 FKAB O=c1[nH]c(CSc2ccc3ccccc3c2)nc2cc(Cl)ccc12 3867272 VCTXDWYLOLLAMP-UHFFFAOYSA-N 352.846 5.022 0 40 FKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 4854138 UZKJZKFBYKRLEY-UPVQGACJSA-N 370.452 5.246 0 40 FKAB Cc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccccc4)c3c2c1 4970226 AANAIAXVBMKJQV-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB COc1ccc(Cl)cc1C(=O)CSc1cc(C)c2ccccc2n1 5007734 OVJGGPMUVYCQJT-UHFFFAOYSA-N 357.862 5.180 0 40 FKAB Cc1oc(-c2ccc(Cl)cc2Cl)cc1-c1nnc(-c2ccco2)o1 5034198 UCKWZYLGWQVTGH-UHFFFAOYSA-N 361.184 5.872 0 40 FKAB Cc1cc(O)c(C(C)(C)c2c(O)cc(C)cc2C(C)(C)C)c(C(C)(C)C)c1 5959496 BKDDOQRYGFPHLE-UHFFFAOYSA-N 368.561 6.636 0 40 FKAB CCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 5977971 FHJVMHGEWNXCIG-JTSKRJEESA-N 364.489 5.096 0 40 FKAB CC1=CC(C)(C)N(C(=O)c2ccccc2-c2ccccc2)c2ccccc21 6272879 DZGMQSDQSQAXOH-UHFFFAOYSA-N 353.465 6.196 0 40 FKAB Cc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)c1 6834770 NRFOHRGPTUJPRM-UHFFFAOYSA-N 363.408 5.102 0 40 FKAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111752 AGTYKYQYVSFSAC-QGZVFWFLSA-N 355.547 5.403 0 40 FKAB COc1ccc(-c2coc3cc(Nc4ccc(C)cc4)ccc3c2=O)cc1 10272063 UUWPJMSSVQMRIW-UHFFFAOYSA-N 357.409 5.521 0 40 FKAB biogenic O=C(c1ccccc1)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 12681950 FQQILJJOGRIORU-FQEVSTJZSA-N 371.465 5.188 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2ccccc2)cc1 12843758 MRIQLGKJMSQYQU-VHXPQNKSSA-N 370.477 5.255 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Sc2ccccc2O3)cc1 16310573 JZRLNWHFRJUMEC-UHFFFAOYSA-N 369.467 5.053 0 40 FKAB O=C(Nc1cccc(Cl)c1F)c1ccccc1SC[C@H]1CCCO1 19310414 XPTQDBFWGKYPEN-GFCCVEGCSA-N 365.857 5.003 0 40 FKAB CC(C)c1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20107203 LWTHNCWBXZUUIC-SFHVURJKSA-N 353.506 5.060 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(Cl)cc1 20493296 VDHDMZJKWZHZEP-HNNXBMFYSA-N 359.897 5.063 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl 21311989 QAPKAAIAILCFIR-LLVKDONJSA-N 357.759 5.073 0 40 FKAB CC[C@H](C)n1nc(NC(=O)c2ccccc2C)c2cc3cc(C)ccc3nc21 21596599 WAOXXRLPNLWHCJ-INIZCTEOSA-N 372.472 5.425 0 40 FKAB O=C(OCc1cccc(Cl)c1)C1c2ccccc2Oc2ccccc21 24522326 SXPAQUHWXZPSPC-UHFFFAOYSA-N 350.801 5.321 0 40 FKAB CC(C)Oc1ccc(/C=C/C(=O)Nc2c(Cl)cccc2Cl)cc1 26504185 XESFVYRYSUGJQA-DHZHZOJOSA-N 350.245 5.433 0 40 FKAB CC[C@H](C)CO[C@H](c1ccccc1)c1nc2ccccc2n1C[C@@H](C)CC 27792444 BSQWVXZDAUXJLE-SFYKDHMMSA-N 364.533 6.235 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 30756672 DPOQHVVWMAPNFH-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478271 VOLMIOXYMRTSKI-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 44847653 LCQZMVMGYWVCSQ-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(C)c(C(F)(F)F)c3)o2)cc1 89642601 BGNHPJGIXVFROE-CYBMUJFWSA-N 361.367 5.545 0 40 FKAB Cc1nc(CNCc2ccccc2Oc2ccc(F)cc2Cl)oc1C 95943577 KUFKRVSCPOWVBO-UHFFFAOYSA-N 360.816 5.166 0 40 FKAB CC(C)(C)C(=O)C[C@@]1(O)Sc2ccccc2N=C1/C=C(\O)C(C)(C)C 100122023 KTSLYWUKPHOUAD-TUOAVLBBSA-N 361.507 5.047 0 40 FKAB Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)o1 118916286 ZMDCSLTVAOWENP-SOMWFLRESA-N 368.561 6.375 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1C(C)C 223377710 DKLJGZMQWVBEIN-ZDUSSCGKSA-N 363.860 5.411 0 40 FKAB Cc1cccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1C 223901961 MNKBTYGEROBLPZ-PTGBLXJZSA-N 371.480 5.039 0 40 FKAB CCN(CC)C(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224351521 LVGVVQAFEMGANL-UHFFFAOYSA-N 363.910 5.123 0 40 FKAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3cccc(Cl)c3)c2N)cc1 225177635 ALUMWFSNBZYMEB-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ncccc2C)c2ccccc2)c(C)c1 225769494 DCVNSSYGGHENDV-FQEVSTJZSA-N 361.514 5.083 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 247806554 ZWCXMQHSUJRMQM-UHFFFAOYSA-N 360.693 5.768 0 40 FKAB Cn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1O 253505184 ARYVICLZGFZHAR-BUKAYYRESA-N 368.565 5.207 0 40 FKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1cccc(F)c1 409110534 DRAXLLMIMGYSHT-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB Cc1noc(C2CC2)c1NC(=O)NCC(C)(C)c1ccc2ccccc2c1 626499277 IZYBRMPTOOSLTC-UHFFFAOYSA-N 363.461 5.113 0 40 FKAB O=C1C[C@@H](c2ccc(Br)cc2)Nc2ccc3ccccc3c21 721572 XPUHOPMPRMIBEN-KRWDZBQOSA-N 352.231 5.342 0 40 FKAB COc1cccc(N[C@@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)c1 1298080 GHVIHQMVQNYTRF-DEOSSOPVSA-N 372.468 5.695 0 40 FKAB CCNc1nc(Sc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 1396721 PRBZVHYCQSPHLD-UHFFFAOYSA-N 368.211 5.385 0 40 FKAB CC(C)=CCC/C(C)=C\CC/C(C)=C/CS(=O)(=O)c1ccc(C)cc1 1563406 IIMOCWXERPQCQP-FKXATRFUSA-N 360.563 6.188 0 40 FKAB Cc1cc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 1787186 DRLHQOQVAAMJNT-UHFFFAOYSA-N 371.786 5.465 0 40 FKAB CC(C)OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1912237 OBIQMLZJNOJPJL-UHFFFAOYSA-N 355.869 5.177 0 40 FKAB Oc1ccccc1-c1nc(N2CCCc3ccccc32)c2ccccc2n1 2204550 FVZYDLLTHKPVMM-UHFFFAOYSA-N 353.425 5.087 0 40 FKAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1 2659434 RPFIAFODNAMFBV-UHFFFAOYSA-N 373.452 5.273 0 40 FKAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 3326046 KMRFHNRVHDYGJO-WZONZLPQSA-N 370.496 5.348 0 40 FKAB COc1ccccc1Nc1nnc(SCc2ccccc2Cl)s1 3494574 KZHCBDACOGNKDJ-UHFFFAOYSA-N 363.895 5.236 0 40 FKAB Clc1c(Cl)c(Cl)c2c(c1Cl)O[C@H]1c3ccccc3C[C@H]1O2 3851942 AECUTYJLGGMEIK-OQPBUACISA-N 362.039 5.737 0 40 FKAB biogenic Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)cc1 4184519 ZCKRRCTYPXGADU-JOCHJYFZSA-N 363.913 7.006 0 40 FKAB Fc1ccccc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 4302974 XHBCPUKMEHRPPM-FYWRMAATSA-N 355.412 6.123 0 40 FKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccco1 4554532 XSHOGOFFXFMUCM-PKNBQFBNSA-N 360.438 5.517 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 5274723 XGDJYDADKWNDEC-YVEFUNNKSA-N 374.937 5.407 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 6569809 DAQGUDVQNOPKOU-UHFFFAOYSA-N 352.478 5.108 0 40 FKAB Clc1ccc(/C=C\c2cccc(/C=C/c3ccc(Cl)cc3)n2)cc1 8626517 VRAQQNXZEHMOFY-DJJIWSAGSA-N 352.264 6.729 0 40 FKAB O=C(NCCSCc1ccccc1F)c1ccc(-c2ccccc2)cc1 10280495 QYCQHGIXRDNYOZ-UHFFFAOYSA-N 365.473 5.156 0 40 FKAB Cc1cccc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)c1C 14595497 YYCGWDNDYNMANF-UHFFFAOYSA-N 361.470 5.469 0 40 FKAB COc1ccc([C@H]2SC(C)=Nc3c2c(C)nn3-c2cccc(F)c2)cc1 15084900 DSCNTGHOOUMQCF-LJQANCHMSA-N 367.449 5.215 0 40 FKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 16293599 OYAUQALDLOPAIX-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB O=C(Nc1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1Cl 17072795 IQYJTRVYKRCYBC-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB O=C1CS[C@@H](c2ccccc2Cl)N1c1ccc(C(F)(F)F)cc1 19927060 SYZQSWDZILARDY-HNNXBMFYSA-N 357.784 5.137 0 40 FKAB Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4)c3c2c1 21017570 UVABQQSIOAKXNU-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)c(F)c1F 22250873 DGJFLKOSAQYIFA-UHFFFAOYSA-N 354.542 5.316 0 40 FKAB Cc1ccc(CN(C)C(=O)N2c3ccccc3Sc3ccccc32)cc1 22531607 NQAAVCHVGOQUJQ-UHFFFAOYSA-N 360.482 5.850 0 40 FKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc2cc(F)ccc2[nH]1 32760358 FZUYPOGSFLOERT-VQHVLOKHSA-N 357.388 5.125 0 40 FKAB Nc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)oc2c1 45919879 LJAUGIZBGXIMBS-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB Cc1ccc(C)c(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)c1 48310205 JPECEFFLFGPSHM-UHFFFAOYSA-N 360.866 5.542 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(N2CCCCC2)cc1 57351986 UCYRRXDNQXDDNY-UHFFFAOYSA-N 374.937 5.202 0 40 FKAB CCCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 66351949 ACBVQWIVNQRHRU-UHFFFAOYSA-N 352.484 7.374 0 40 FKAB c1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCCCCCC2)cc1 72332670 LWTRYEPXNYFKFM-HSZRJFAPSA-N 374.528 6.451 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c(C(F)(F)F)c1 98073284 PTGOGZLZRUMKMD-UHFFFAOYSA-N 353.771 5.490 0 40 FKAB CC(C)Oc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 219730623 BFQGFLCMHVSZAX-UHFFFAOYSA-N 359.469 5.316 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)C(C)C 225761100 IEYVPRJAGWVHTG-KRWDZBQOSA-N 366.452 5.698 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2c1-c1ccccc1C2=O 1580955 DFSVOVQAHAJZKN-UHFFFAOYSA-N 368.219 5.457 0 40 FKAB CCCCCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OC 1799563 IKEAFBGGMQUNJD-FDPSAONLSA-N 367.489 5.155 0 40 FKAB Cc1ccc(NP(=O)(Oc2ccccc2C)Oc2ccccc2C)cc1 1863827 XCXJYLHTMVOHHD-UHFFFAOYSA-N 367.385 6.290 0 40 FKAB Cc1ccc(-c2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cc1 1885867 RKYZKUGKTKBXRQ-UHFFFAOYSA-N 361.448 6.063 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2064206 XFDOIRXWVCXYML-UHFFFAOYSA-N 366.464 6.025 0 40 FKAB CCCCCCNc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2274460 YXRZMLDWZGZMDB-UHFFFAOYSA-N 368.550 5.673 0 40 FKAB COc1ccccc1[C@H](Nc1ccc(C)cc1)c1c(C)[nH]c2ccccc12 2546240 KXKWKWNZIOPFFK-DEOSSOPVSA-N 356.469 5.995 0 40 FKAB COc1ccccc1[C@@H](Nc1cc(C)cc(C)c1)c1c(C)[nH]c2ccccc12 2546278 AYLSUSMKJKTDGC-RUZDIDTESA-N 370.496 6.303 0 40 FKAB Fc1ccc(-c2csc3ncnc(NCCCc4ccccc4)c23)cc1 2632975 BKXBKPWIUMETPL-UHFFFAOYSA-N 363.461 5.542 0 40 FKAB Cc1ccccc1CN1CCc2c(O[C@@H](C)c3ccccc3)cccc2C1=O 2716571 QGYKOCLMQBARDI-IBGZPJMESA-N 371.480 5.334 0 40 FKAB Cc1csc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cn12 4249056 FQOXCJLRKXCLKH-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB aggregator CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 4702959 BQMOFPLYXWRYJA-QFIPXVFZSA-N 358.441 5.165 0 40 FKAB O=C(O)c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 4902476 OBHIEKGRLPRRLZ-UHFFFAOYSA-N 366.225 5.159 0 40 FKAB Fc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 5324609 HHAWEBDGPKWZGD-UHFFFAOYSA-N 355.221 5.475 0 40 FKAB Cc1cc(O)c(NC(=O)c2cccc3c(Br)cccc23)cc1C 5697581 NZPYCYHBLKRBKO-UHFFFAOYSA-N 370.246 5.177 0 40 FKAB CC(C)Cc1ccc(-c2csc(NC(=O)CCC3CCCC3)n2)cc1 5908776 PGVDFKINVPTMII-UHFFFAOYSA-N 356.535 5.918 0 40 FKAB CCCCOc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 6804380 JUBFXQKPXWZGEJ-UHFFFAOYSA-N 360.457 5.108 0 40 FKAB CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 6810576 OECNDSSMKBWEDN-UHFFFAOYSA-N 369.848 5.174 0 40 FKAB CCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 7261616 UUDVJYQEAFLAHH-UHFFFAOYSA-N 353.893 5.962 0 40 FKAB COc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1F 7275244 CVAMBNCHIWQUHN-UHFFFAOYSA-N 356.447 5.158 0 40 FKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 7537840 HUUXDZVJJZDBMZ-UHFFFAOYSA-N 365.448 5.012 0 40 FKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1 8550154 ZTIIRMWTRJFMTE-IBGZPJMESA-N 361.485 5.433 0 40 FKAB Cc1cc(C)c2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 14258024 MZYHLEQZDDWFRC-JXMROGBWSA-N 350.487 5.688 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1Br 15350106 XRLFMMDNLXTHHL-UHFFFAOYSA-N 366.258 5.297 0 40 FKAB Cc1c(C(=O)Nc2ccc(-c3nccs3)cc2)sc2ccccc12 17590968 WZENQKYQERPDAP-UHFFFAOYSA-N 350.468 5.586 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 20459791 JHCFNMOBLWDDLC-CABCVRRESA-N 359.897 5.282 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)cc1C 20796608 MFHPJEJTPSKEJA-CYBMUJFWSA-N 363.436 5.137 0 40 FKAB Fc1ccccc1CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 22076556 QYUFGIAATVAQRZ-UHFFFAOYSA-N 364.247 5.725 0 40 FKAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 22511985 HHKRKLFDWBNQTC-DEOSSOPVSA-N 373.496 5.485 0 40 FKAB CC(C)c1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 24750786 OJORBNBEAKKGOJ-UHFFFAOYSA-N 362.429 5.015 0 40 FKAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 40032272 NWLCZWXDCKAOGW-QGZVFWFLSA-N 362.473 5.246 0 40 FKAB Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(F)cc3)c2c1 44168046 RPARDZPJCNEIEJ-UHFFFAOYSA-N 363.436 5.052 0 40 FKAB CCCCN1CCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C 72214743 OQECNOZQWXPFRL-GOSISDBHSA-N 361.530 5.170 0 40 FKAB O=C(Nc1ccccc1)c1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 95117544 MOLSZCZQRUWBIH-UHFFFAOYSA-N 360.482 5.542 0 40 FKAB Cc1ccc(/N=c2/ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 100972027 RIHCEBITYAQZIH-XUTLUUPISA-N 352.528 5.986 0 40 FKAB O=C(Nc1cccc(OC(F)(F)F)c1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102893632 BBWJOMJNEXPSKI-VDQHWBOFSA-N 373.802 5.102 0 40 FKAB CC[C@@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(C)cc1C 219865518 RAHOARYKPBCMFW-HSZRJFAPSA-N 364.533 5.096 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 222996600 QTMNMMNJGQYVML-JOCHJYFZSA-N 367.489 5.421 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223466943 CBYFOKRVQOFICK-FPOVZHCZSA-N 353.506 5.264 0 40 FKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1CCc1ccccc1 224919737 URSILBWEPYMUBT-UHFFFAOYSA-N 370.496 5.324 0 40 FKAB CCOc1ccc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 408892053 AIFGMAOTRUMQKM-UHFFFAOYSA-N 352.459 5.060 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H]3C[C@H]3c3cccc(F)c3)sc2c1 1775977880 YMGPTSDPJIBOHN-CJNGLKHVSA-N 373.880 5.536 0 40 FKAB Cc1ccc(NC2=C[C@H](c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 898775 MSAKKWXGDVHYGM-HSZRJFAPSA-N 372.443 5.526 0 40 FKAB CN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)cs1 932817 CLLBZXBCQVSJGU-UHFFFAOYSA-N 368.477 5.523 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(C)c1 1268171 DNGBIYZHQGAPCM-UHFFFAOYSA-N 351.833 6.001 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 2126785 GNMUGVNEWCZUAA-WOWYBKFKSA-N 366.501 6.591 0 40 FKAB biogenic,in-vitro Cn1c2ccccc2c2cc([C@@H]3NCCc4c3[nH]c3ccccc43)ccc21 2157365 GUAKGRVMBBQTAZ-QHCPKHFHSA-N 351.453 5.048 0 40 FKAB biogenic Cc1nc(Nc2ccc(Br)cc2)c2c3c(sc2n1)CCCC3 2210029 OYXVYHFKXKLZNE-UHFFFAOYSA-N 374.307 5.385 0 40 FKAB CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 2428863 YDIPQRHZJDOJGD-UHFFFAOYSA-N 361.266 5.131 0 40 FKAB aggregator COc1ccc([C@@H](CCN[C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 2447697 DHVFCGXMEZIXNM-KKSFZXQISA-N 369.505 5.769 0 40 FKAB Fc1ccc(Sc2snnc2-c2ccc(Cl)cc2Cl)cc1 3118874 JHHLDEZZUAQBCM-UHFFFAOYSA-N 357.262 5.802 0 40 FKAB CCCCc1c2c(nn1-c1cc(Cl)ccc1OC)CC(C)(C)CC2=O 3624977 OAWRXCDMLWMVJB-UHFFFAOYSA-N 360.885 5.032 0 40 FKAB Cc1ccc(Sc2c(Cl)c(Cl)nc(Cl)c2C(F)(F)F)cc1 3771010 NRAXSCVMIMYEKY-UHFFFAOYSA-N 372.626 6.520 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1 3898511 QNBONNQHFASQGV-UHFFFAOYSA-N 356.450 5.729 0 40 FKAB CCc1ccc(C2=Nc3ccccc3N[C@H](c3ccc(Cl)cc3)C2)cc1 4182304 UETLJWPRWTWSFX-QHCPKHFHSA-N 360.888 6.580 0 40 FKAB Cc1cc2n(n1)[C@@H](c1ccc3c(c1)c1ccccc1n3C)Nc1ccccc1-2 4707176 BKLKNHPXQIFWDZ-DEOSSOPVSA-N 364.452 5.476 0 40 FKAB O=C(Nc1ccccc1Cc1ccccc1)c1ncoc1-c1cccc(F)c1 5002012 BSSNNORYCJYPLV-UHFFFAOYSA-N 372.399 5.324 0 40 FKAB CCC[C@@]12CCC3=C(CCc4cc(OC)ccc43)C1=CC[C@@H]2OC(C)=O 6891171 OVQXJBAKFUQMPB-XZOQPEGZSA-N 352.474 5.237 0 40 FKAB COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Cl 6953645 GRZGXNQDYBSDKS-UHFFFAOYSA-N 360.788 5.176 0 40 FKAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccc3ccccc3c2)c1 7736852 KJTUIRRVFNFWJB-UHFFFAOYSA-N 373.481 5.012 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2cc3ccccc3o2)cs1 9872463 USHMBDXTOCGZNI-UHFFFAOYSA-N 373.437 5.219 0 40 FKAB CC(C)=CCOc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12 13323006 HJMDOAWWVCOEDW-UHFFFAOYSA-N 354.402 5.229 0 40 FKAB biogenic,in-vitro Cc1nc2cc(NC(=O)c3ccc(C4SCCCS4)cc3)ccc2o1 14226639 RMXKKZDEIBRUCA-UHFFFAOYSA-N 370.499 5.257 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 14258058 FKXLZNHWPYCTEH-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 15626088 OTWURJNOVICDDA-LBPRGKRZSA-N 361.272 5.285 0 40 FKAB CC[C@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(F)cc3)c(C)nn12 21799301 JZWGFWWPMMLDST-ZDUSSCGKSA-N 354.473 5.352 0 40 FKAB Clc1ccc(OCc2ccccc2Cl)c(CNC2CCCC2)c1 22074273 FTYUAGXGLKFIDW-UHFFFAOYSA-N 350.289 5.605 0 40 FKAB Cc1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 22258256 DULVIUQZOTUJAS-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB C[C@H](Sc1ncc(-c2ccccc2)n1C)c1nc(-c2cccs2)no1 26108440 OVVQRIMYVMFMKU-LBPRGKRZSA-N 368.487 5.052 0 40 FKAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1 35647442 RQIZFILOCJNHFV-OVCLIPMQSA-N 363.269 5.384 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214115 MBJSJNLQSWNKGX-NRFANRHFSA-N 357.457 5.193 0 40 FKAB COc1cccc(NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 72318884 XRPRJUUORHGGAD-UHFFFAOYSA-N 356.441 5.201 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 78457700 VZHZHLGQPMQDLV-LJQANCHMSA-N 357.497 5.648 0 40 FKAB CCCC[Sn](CCCC)(CCCC)/C(F)=C/F 196501257 ZCFGFWODZPGOFW-UHFFFAOYSA-N 353.085 6.155 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccccc1Cl 222719821 BDGVEEORTAMAIT-UHFFFAOYSA-N 374.720 5.196 0 40 FKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1 222996022 WOQGEHYXPJIDMY-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccccc1F)c1ccccc1 225503936 BSUHIYZBBPZVKB-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 225742508 HWTLQGDOTOBUJK-KRWDZBQOSA-N 367.533 5.193 0 40 FKAB COC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCCC1 225806877 HCVKANSZQCZYBJ-UHFFFAOYSA-N 355.478 5.305 0 40 FKAB O=C(Nc1ccc2nc(-c3ccc4ccccc4c3)oc2c1)C(F)(F)F 226269777 OYGVGYBFHKRHHT-UHFFFAOYSA-N 356.303 5.149 0 40 FKAB COC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 226321942 PBZHBXLUYYICLK-UHFFFAOYSA-N 363.599 5.152 0 40 FKAB CCCC(=O)Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1 408623436 UFKZINUQORSTFA-UHFFFAOYSA-N 366.848 5.484 0 40 FKAB CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2cccc(C)c2)n1 408727765 XMLVGABHMFFAGH-UHFFFAOYSA-N 356.425 5.178 0 40 FKAB CCCc1sc(=Nc2ccccc2F)[nH]c1-c1ccc(OC)c(OC)c1 408756224 OTOCTQXCGSONLC-UHFFFAOYSA-N 372.465 5.084 0 40 FKAB COc1cccc(Cc2ccc([C@@H]3CCCN3CCc3ccccc3)nc2)c1 585176611 VPWHOHXDAFUXIT-VWLOTQADSA-N 372.512 5.061 0 40 FKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl 840272 ZQAQDOSESHSOIY-RADKVMJMSA-N 373.883 5.822 0 40 FKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Cl 840437 RQPVSYFWOZTCFE-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB COc1ccc(-c2nsc3c(SCc4ccccc4)ncnc23)cc1 902784 RNXKAWHDLJKRPN-UHFFFAOYSA-N 365.483 5.054 0 40 FKAB O=C(Nc1cccnc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 939386 DKLQPJVTAQCXQU-UHFFFAOYSA-N 372.453 5.201 0 40 FKAB Fc1ccc(-c2cnn3c(-c4ccc(-c5ccccc5)cc4)ccnc23)cc1 1394968 CCQFYUDJMZKAME-UHFFFAOYSA-N 365.411 5.869 0 40 FKAB C[C@@H]([C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C 1758863 IFPVPHDPCJQNOZ-YADARESESA-N 373.496 5.053 0 40 FKAB CCCCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)c(Cl)cc12 2205644 FJNGYXLSUDOJGK-UHFFFAOYSA-N 372.848 5.377 0 40 FKAB CCOc1ccc2nc(SCC(=O)c3ccc(Cl)s3)sc2c1 3221298 WVULOGTYHKBQFN-UHFFFAOYSA-N 369.920 5.385 0 40 FKAB CCCC[C@@H](CC)CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 3244373 DFKUEUMLRCLJAE-CYBMUJFWSA-N 366.864 5.389 0 40 FKAB Cc1ccc(OCCCn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 3648886 TZQDMQWMTBGEGV-UHFFFAOYSA-N 369.464 5.650 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cc(C)ccn23)cc1 3911607 NFBRHOQDFWKLGX-UHFFFAOYSA-N 356.473 5.428 0 40 FKAB Cc1cc(Sc2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12 4052462 RCFDHOODYAHYKR-UHFFFAOYSA-N 353.796 6.367 0 40 FKAB c1ccc(Oc2ccc3[nH]c(-c4nnc(-c5ccccn5)s4)cc3c2)cc1 4699700 ACCKIWAZAKEKRO-UHFFFAOYSA-N 370.437 5.541 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 4898349 WPGSJVUKSMYCJB-URXVPBNYSA-N 357.497 5.232 0 40 FKAB Fc1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 5065731 HWFGACQLFWMYTL-UHFFFAOYSA-N 358.210 5.098 0 40 FKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccccn23)c(C)c1 5249009 HGPIYTUAQAKXFH-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB C[C@@H]1[C@H](c2ccccc2)OCN1CC=C(c1ccsc1)c1ccsc1 5662753 JAFWSMULEQCSON-IIBYNOLFSA-N 367.539 5.661 0 40 FKAB O=C(O[C@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1)c1ccccc1 5682236 FFBGIFBVWIAEIA-PKTZIBPZSA-N 363.501 5.034 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)cc1C 6503779 XGLGDYJVOPQNCY-UHFFFAOYSA-N 359.347 5.835 0 40 FKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1 6616230 PUFXRJURMXKTAY-UHFFFAOYSA-N 356.469 5.596 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 6965693 NFBIIBOOFQABLM-JMERFSKESA-N 373.374 5.539 0 40 FKAB CCOC(=O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1 7519802 CVYOEEWEMNNMQF-UHFFFAOYSA-N 369.848 5.067 0 40 FKAB C[C@@H](NCc1ccccc1OCc1ccccc1)c1ccc(F)c(F)c1 8403055 DGJRRJHOQQFECW-MRXNPFEDSA-N 353.412 5.395 0 40 FKAB COc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(C)=O)cc1 9482104 OGQBFAYBDNYCQJ-UHFFFAOYSA-N 373.496 5.266 0 40 FKAB O=C(Cc1ccccc1Cl)Nc1nc(-c2c[nH]c3ccccc23)cs1 9723010 UMPROKCXEWDLDR-UHFFFAOYSA-N 367.861 5.126 0 40 FKAB CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 13010789 ZWSJYIINZRAYRR-UHFFFAOYSA-N 364.420 5.020 0 40 FKAB Cc1ccc(C)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 15016758 CJKCUQWDOVKXGB-DENIHFKCSA-N 360.482 5.607 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(F)(F)F 20490226 WDRZLFRPQXOOKH-INIZCTEOSA-N 351.368 5.118 0 40 FKAB Clc1ccccc1-c1nnc([C@@H](Nc2ccccc2)c2ccccc2)o1 20509721 RTIIHKVTSZJJOY-IBGZPJMESA-N 361.832 5.592 0 40 FKAB CCc1ccc(C(=O)Nc2scc(-c3cccs3)c2C(=O)OC)cc1 21785496 LGVHGGJGOINRKO-UHFFFAOYSA-N 371.483 5.078 0 40 FKAB CCc1nc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 22254783 GVLDMEJASYAGFU-UHFFFAOYSA-N 372.493 5.629 0 40 FKAB CCc1ccccc1NC(=O)c1ccc(COc2cccc(Cl)c2)o1 28225123 STYFEFIJWQUWDP-UHFFFAOYSA-N 355.821 5.327 0 40 FKAB O=C(c1cccc2ncccc12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 32796638 OIPVINPQJWGXPW-UHFFFAOYSA-N 370.374 5.058 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12 36695165 FSAZXRZAWZCUQC-UHFFFAOYSA-N 374.893 5.363 0 40 FKAB CCc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44945646 GNSADFBPBMATAR-UHFFFAOYSA-N 370.496 5.454 0 40 FKAB CC(C)Sc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 215718841 ZEMKMWGCOITQAJ-UHFFFAOYSA-N 353.409 5.136 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc2ccccc2c1 222822020 VMPAHWTYXWRSTP-UHFFFAOYSA-N 358.268 5.396 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C 223453713 VBXAVKFYYHKLHI-RTBURBONSA-N 361.485 5.410 0 40 FKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 224053911 AMCIJLHEZDXRHX-WZONZLPQSA-N 365.517 5.236 0 40 FKAB CC[C@@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 224885481 DGPXZRRSTYPYDO-HXUWFJFHSA-N 371.546 5.121 0 40 FKAB Cc1nc(-c2cccc(NC(=S)NCCC3=CCCCC3)c2)cs1 225179615 LBEYYJHDUHNMOP-UHFFFAOYSA-N 357.548 5.295 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)c1ccccc1CCc1ccccc1 225281654 ICDUGGUXPXOXOA-UHFFFAOYSA-N 357.497 5.223 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1Cl 225334918 CWFVCLSWBATMDE-UHFFFAOYSA-N 370.707 5.328 0 40 FKAB Cc1cc(C)c(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 225636574 SQIDSHMJYAFBQS-NRFANRHFSA-N 363.501 5.568 0 40 FKAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2-c2cccc(C)c2)cc1 408726080 RWVZPQRDWPJITA-UHFFFAOYSA-N 373.500 5.219 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(Cl)c(C)c3)cc2)c1 409180846 SLZKSCOPHAFCDJ-UHFFFAOYSA-N 366.844 5.755 0 40 FKAB Clc1cccc(COc2ccc(-c3nc4ccccc4s3)cc2)c1 409193380 JPPLGBRRNXJJQT-UHFFFAOYSA-N 351.858 6.196 0 40 FKAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccccc1 633016 BQKJYBLLXYUICD-SFHVURJKSA-N 367.452 5.030 0 40 FKAB O=C(C[C@H](c1ccccc1)[C@@H]1CCCC1=O)c1ccc(Br)cc1 639169 KMLJRYCKWBCLJW-ZWKOTPCHSA-N 371.274 5.175 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 840435 PBDJCJUIKUEUAN-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB COc1ccccc1[C@H](CC(=O)c1ccccc1)Sc1ccccc1N 1045076 JHSZAZDRYRWVNF-QFIPXVFZSA-N 363.482 5.384 0 40 FKAB COc1ccc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1 1447792 KBVHYRLTWZDJMB-UHFFFAOYSA-N 366.823 5.553 0 40 FKAB Cc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1Cl 1471284 SZLLGPFOCINXNN-UHFFFAOYSA-N 362.860 5.625 0 40 FKAB CCCCCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 2066900 FEASLBHBKPFPRZ-UHFFFAOYSA-N 373.496 6.026 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(F)c2)cc1 2253954 XXYFGPHMTLNNJN-UHFFFAOYSA-N 354.388 5.083 0 40 FKAB COP(=O)(OC)[C@H](Nc1ccccc1)c1ccc(Cl)c(Cl)c1 2306018 SXWFWYNCGZBYEZ-HNNXBMFYSA-N 360.177 5.590 0 40 FKAB Clc1ccc(CSc2snnc2-c2ccccc2)c(Cl)c1 3118867 WMWBOZBFUCUNBG-UHFFFAOYSA-N 353.299 5.804 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 3244374 DFKUEUMLRCLJAE-ZDUSSCGKSA-N 366.864 5.389 0 40 FKAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)c3ccccc23)cc1 3291349 OMHQPYUJIWBTRG-UHFFFAOYSA-N 369.424 5.120 0 40 FKAB Nc1ccccc1Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 3308227 XBZBKXMBGYHROW-UHFFFAOYSA-N 360.848 5.519 0 40 FKAB CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 3849779 ORZBNFZTRWEXII-UQVAWVEYSA-N 360.538 5.310 0 40 FKAB CC1=CC(C)(C)N(C)c2cc([C@]3(C)CC(C)(C)N(C)c4ccccc43)ccc21 4064344 MUYVMWPJMWIJIK-SANMLTNESA-N 374.572 6.243 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4689366 PQVXTSAJGXUMCR-UVTDQMKNSA-N 356.208 5.746 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 5752540 QARRBYVMPVHQPH-UHFFFAOYSA-N 371.786 5.465 0 40 FKAB Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC2CCCC2)c1 6483669 ULFHRTHPVNHZEJ-UHFFFAOYSA-N 363.866 5.128 0 40 FKAB CCc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(C)cc1)=N2 6844071 FAJPLSSJSWBOAI-UHFFFAOYSA-N 353.469 5.300 0 40 FKAB C[C@H](NCc1ccc(-c2ccccc2F)o1)C12CC3CC(CC(C3)C1)C2 7524277 YRRWGQGFIKCJTQ-SCUMNGBJSA-N 353.481 5.780 0 40 FKAB CCc1nn2c(Nc3ccc(OC)cc3)cc(C)nc2c1-c1ccccc1 7572477 OMMHJWSVANQWMM-UHFFFAOYSA-N 358.445 5.019 0 40 FKAB Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)C3CCC3)nc2c1 12568022 WVHBQBPIADDYGD-UHFFFAOYSA-N 350.487 5.246 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1CCc1ccccc1 13688381 AMKFUMGWIQDBBI-UHFFFAOYSA-N 370.279 6.031 0 40 FKAB CCc1cccc(C)c1NC(=O)COc1ccc(C2CCCCC2)cc1 14258151 DEEDBQCDAJPNNV-UHFFFAOYSA-N 351.490 5.623 0 40 FKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)Cc1ccccc1 16227015 KXKCMKKPCZRCFV-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB Clc1ccccc1COc1ccc(CNCCc2ccccc2)cc1 16479360 LKBDJLUJIOYMKM-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB Cc1cccc(-n2nc(C)c3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1 20632869 HAXFFVOPEKUGQN-FQEVSTJZSA-N 358.485 5.525 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(Cl)c1 22072298 FPQDATJECURMJA-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB CN(Cc1cccs1)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24527469 FPVTYDNLRVKRRW-NRFANRHFSA-N 360.482 5.285 0 40 FKAB Clc1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1 41151148 KCDZBWPEBMABGI-UHFFFAOYSA-N 374.875 5.507 0 40 FKAB O=C(Nc1cccs1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 217642675 BKAOPMHSGYIODM-CYBMUJFWSA-N 359.303 5.334 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 223218020 WOYFYMUCPUIACU-QGZVFWFLSA-N 355.478 5.312 0 40 FKAB Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1Cl 225287854 BBKUBUFVWAQVLU-UHFFFAOYSA-N 371.358 5.381 0 40 FKAB Cc1ccc(CSCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225294089 JPRGUBLITPOUHB-UHFFFAOYSA-N 374.575 5.002 0 40 FKAB CC(C)Oc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225332872 OFAXUWHYRCJKDG-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB O=[N+]([O-])/C=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 408773768 MAOYGYJGJJTEBF-MDZDMXLPSA-N 358.850 5.334 0 40 FKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccccc1 409120818 USSGPPVXODXXOD-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 689244 AQSAPZKSAHZJSW-UHFFFAOYSA-N 356.425 5.042 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C)c(Cl)c1 949564 YJGZOZSEZJAQLN-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB Clc1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)c(Cl)c1 1895238 GQQKZJKZPLMLFZ-UHFFFAOYSA-N 367.235 6.396 0 40 FKAB O=C(Nc1ccc2ccccc2c1)[C@@H](Sc1ccccc1)c1ccccc1 2737859 JCARMIKUANXPLQ-QHCPKHFHSA-N 369.489 6.312 0 40 FKAB Cc1nc(SCc2ncc(-c3ccccc3)o2)c2c(C)c(C)sc2n1 3443167 BKEKIXMQBHIPEP-UHFFFAOYSA-N 367.499 5.564 0 40 FKAB Cc1c(Cl)ccc2c(=O)c(-c3ncc(C(F)(F)F)cc3Cl)c[nH]c12 4002916 YDQRFTHVGQQGQU-UHFFFAOYSA-N 373.161 5.224 0 40 FKAB Cn1c(SCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 4362113 AWBOPEOOUBXBEI-UHFFFAOYSA-N 365.889 5.581 0 40 FKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@@H](OC(C)=O)C[C@@H]21 4478070 SGEFBVJZEOLACL-JFJDKTSWSA-N 372.505 5.055 0 40 FKAB O=C(c1cccs1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 5299725 LZGMTENYLRPOBE-UHFFFAOYSA-N 368.458 5.344 0 40 FKAB CC(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1 5481988 FSOZVTNYHFAXNQ-NBVRZTHBSA-N 357.453 5.933 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 5938281 BBKAECWFAQAANI-UHFFFAOYSA-N 364.150 5.073 0 40 FKAB COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(C)=O)c(C(C)C)cc3CC[C@@H]12 5963388 HFNSWUWOTLFFOE-MZYLBHOOSA-N 356.506 5.196 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 8220296 KNEVGXMNVNSECM-VIFPVBQESA-N 360.693 5.766 0 40 FKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 8590869 DUBIWGIOEGENOE-UHFFFAOYSA-N 371.440 5.271 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(C(F)(F)F)c1 12257363 IQHAORNKEDFMOT-UHFFFAOYSA-N 361.319 5.026 0 40 FKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2OC)cc1 13010580 NWWMLFXNPAZWSJ-UHFFFAOYSA-N 363.413 5.139 0 40 FKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)c1 13228211 RYFSWZITMPSQQR-UHFFFAOYSA-N 362.864 5.805 0 40 FKAB c1ccc(COc2ccccc2NCCc2cccc3ccccc23)cc1 19738496 CHSPOQKGQFSTHM-UHFFFAOYSA-N 353.465 6.073 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(OCc2ccccc2)c1 20112589 LVJOXVKMGCUUEK-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)N1C(=S)CSc2ccccc21 28527250 PTIRLSJUODPACC-UHFFFAOYSA-N 354.283 5.073 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 33374181 VSVORUIMESBOHI-VJBMBRPKSA-N 355.566 6.056 0 40 FKAB Cc1cc(C)n(Cc2cccc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)c2)n1 79030865 DBSDZWOPLYPWFU-INIZCTEOSA-N 373.422 5.740 0 40 FKAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 89356173 AUCDJTBPCBHQCS-PKTZIBPZSA-N 359.444 5.255 0 40 FKAB CC(C)(C)OC(=O)NC1(c2ccc(C(=O)Cc3ccccc3)cc2)CCC1 95643219 CXYVWHPPHMMIFX-UHFFFAOYSA-N 365.473 5.016 0 40 FKAB Cn1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cn1 98087363 OEFVYGZGLIGBOP-FCNZPQIKSA-N 366.549 5.415 0 40 FKAB COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 169679626 SOLFGTIEYURABM-PWRGDLIESA-N 361.557 5.467 0 40 FKAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(C)cc1C 219006840 OEKCCLJKLFGHKW-VWLOTQADSA-N 371.524 5.970 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)CCCC2 223018986 LGOJGLMGUJAGNG-VGSWGCGISA-N 367.558 5.455 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C(C)C 223386071 MGLIPOPGFRYGCL-INIZCTEOSA-N 373.924 5.590 0 40 FKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COCC(C)C 224735906 QPNQEZPBIVORKM-UHFFFAOYSA-N 355.478 5.127 0 40 FKAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3c(F)cccc3Cl)c2N)c1 225179851 ZAHLPIODBKUAJN-UHFFFAOYSA-N 369.749 5.241 0 40 FKAB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 247833990 MRWSXEXBEQFWEL-RTOVEXDRSA-N 367.876 5.643 0 40 FKAB Cc1ccc(-c2oc(-c3ccccc3)nc2SCc2ccccc2)cc1 585152206 AQHJKLICGKPDJO-UHFFFAOYSA-N 357.478 6.609 0 40 FKAB CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)nc(C)n2)cc1 829578 CUIXBGJRZXMYML-UHFFFAOYSA-N 364.449 5.070 0 40 FKAB Ic1ccc2c(c1)[C@@H]1c3cccc4cccc(c34)[C@H]21 988513 JKFPYEGOQFMNLZ-ROUUACIJSA-N 354.190 5.035 0 40 FKAB c1ccc(COc2cccc(-c3nnc4ccc5ccccc5n34)c2)cc1 1063313 XAPIVUJEIARNHY-UHFFFAOYSA-N 351.409 5.129 0 40 FKAB c1cc2c(cc1CCCCCCCCCCc1ccc3c(c1)CCC3)CCC2 1703239 JBKAJYLVPBVSBI-UHFFFAOYSA-N 374.612 7.570 0 40 FKAB C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)c1ccc(C(C)(C)C)cc1 2637650 LCKRVZFSHQLAPM-LBPRGKRZSA-N 362.828 5.205 0 40 FKAB C[C@@H](NCC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 4028852 RWXOIELWFZDPDK-FGCOXFRFSA-N 365.561 5.791 0 40 FKAB Cc1cccc(CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)c1 4059736 GQAJYOHEPKNHMT-UHFFFAOYSA-N 371.549 6.907 0 40 FKAB CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4612820 KIXGFZRPUASEFM-XDZVQPMWSA-N 371.524 5.462 0 40 FKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4)o3)cs2)cc1 5021172 IGITTYSQDBAXJR-UHFFFAOYSA-N 365.483 5.461 0 40 FKAB O=C(NC1CCCCCCCCCCC1)c1ccc(Cl)cc1Cl 5567881 NUZZBWNGOHBKBI-UHFFFAOYSA-N 356.337 6.397 0 40 FKAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1Br 6077246 ARQAVUAJCLOMEE-UHFFFAOYSA-N 358.157 5.029 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2)c(C)c1 6964969 LQLPJUKEBYIUAD-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB Cc1ccc(CN(C)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)o1 6993488 WBPCJZKIYKXCEV-LHHMWQFHSA-N 363.501 5.085 0 40 FKAB CCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 7262294 NGXSPGZCFAKRJB-UHFFFAOYSA-N 374.311 6.225 0 40 FKAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1 7643359 QJIUBTCAFQELFE-INIZCTEOSA-N 364.514 5.243 0 40 FKAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2o1 9489436 DEHXWMLKFMZCDV-UHFFFAOYSA-N 368.845 5.386 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)cc1 10330053 PCIKOYBZUQSGHE-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB Cc1ccc2c(c1)CCCN2Cc1cc(=O)oc2cc(C)c(Cl)cc12 13061804 OGWWBJZODISPTI-UHFFFAOYSA-N 353.849 5.016 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)c(C)c3)ccc21 14292034 QGWXMNJJMNIZJB-UHFFFAOYSA-N 358.441 5.384 0 40 FKAB C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl 15187524 ZWROENFVQPTUEI-GFCCVEGCSA-N 372.292 5.224 0 40 FKAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(Cl)c1 16018345 RFTUDMJIWGKTSR-ZDUSSCGKSA-N 358.894 5.150 0 40 FKAB CCC[C@H](NC(=S)NCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 17076701 UJEZDUKZTHBGQH-BUMILGAPSA-N 374.569 5.175 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(SC)c1 20460788 AHPBIUWZUSSDFW-HXUWFJFHSA-N 351.471 5.358 0 40 FKAB c1csc(COc2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1 22073921 CGBDMMZBCOXXHS-UHFFFAOYSA-N 353.531 5.386 0 40 FKAB C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(Cl)cc1Cl 54913468 HOWZCNXNCFNQGP-SNVBAGLBSA-N 365.289 5.037 0 40 FKAB O=C(CNc1cccc(Cl)c1Cl)Nc1ccccc1C(F)(F)F 58337883 IGLXAWSVUYYGHT-UHFFFAOYSA-N 363.166 5.063 0 40 FKAB CC(C)c1cc(C(=O)Nc2ccccc2-c2ccccc2)nn1C(C)(C)C 59271898 SMNJHFPIISGYLE-UHFFFAOYSA-N 361.489 5.681 0 40 FKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@H]1c1ccc[nH]1 84367163 CVUYSJGGEQEURJ-INIZCTEOSA-N 374.362 5.271 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219370138 SYGKWKLBZPRMGJ-SFTDATJTSA-N 353.506 5.345 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222971684 CEMMBBXYXFWWED-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1C 224120530 GRMOHYVSXKCCQN-NQIIRXRSSA-N 353.506 5.462 0 40 FKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 409113500 GLLLPUDEKVQKNN-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB Cc1ccc(C)c(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1 409117696 QAOVHBSFRFCUSG-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(C(=O)O)cc2)n1 409384863 GAHZLXBATSRJCO-UHFFFAOYSA-N 370.861 5.096 0 40 FKAB CC(C)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 648817 NUQDJKWIKOTZHP-UHFFFAOYSA-N 364.297 6.584 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1OCC 936326 BYFBZEWVQYQVFV-PKNBQFBNSA-N 353.462 5.061 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1 1054641 ACWDZGDNDYVZCC-QHCPKHFHSA-N 355.481 5.557 0 40 FKAB O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1 1388800 LDSMGHJQUBGQDN-UHFFFAOYSA-N 370.477 5.658 0 40 FKAB aggregator CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1809709 YMXFWJILLTWELX-UHFFFAOYSA-N 357.548 5.429 0 40 FKAB CCCCc1cc(=O)oc2cc(C)cc(OCc3ccc(OC)cc3)c12 2146328 KGANHRKGWCXPIF-UHFFFAOYSA-N 352.430 5.032 0 40 FKAB biogenic CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 2229734 MVDHCOUHYPDMDX-UHFFFAOYSA-N 370.543 5.218 0 40 FKAB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccccc3)ccc12 2393170 GIUURDVABZOQAT-UHFFFAOYSA-N 362.812 5.692 0 40 FKAB biogenic Cc1ccc(C)c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)c1 2626177 QSONFNJIAGMWOZ-UHFFFAOYSA-N 355.290 5.044 0 40 FKAB Clc1ccc2nc(-c3cccnc3Sc3ccccc3)sc2c1 3051176 SSBADBUFPBPKHD-UHFFFAOYSA-N 354.887 6.163 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1c(-c2ccccc2Cl)noc1C 3236609 MHSBZAXXUVRINX-UHFFFAOYSA-N 368.864 5.988 0 40 FKAB Cc1ccc(SCC(=O)c2sc3nc4ccccc4n3c2C)cc1 4023800 CMQAHZVJJZUXAD-UHFFFAOYSA-N 352.484 5.141 0 40 FKAB Oc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2n1Cc1ccccc1 5267015 ZDNZEPZCXWDFDE-UHFFFAOYSA-N 369.251 5.764 0 40 FKAB COc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1 6302590 OQENAFGXLLDTIU-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB Cc1ccc(F)cc1NC(=O)CSC(c1ccccc1)c1ccccc1 6388642 SOZQQNVHPUDLBF-UHFFFAOYSA-N 365.473 5.595 0 40 FKAB Cc1ccc(-c2cc(-c3ccco3)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 7148256 WEABSEJBHDZHBP-HNNXBMFYSA-N 359.494 6.657 0 40 FKAB CCCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7261216 FVCYLMUYJQTCNF-UHFFFAOYSA-N 351.465 5.838 0 40 FKAB Cc1c(-c2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 7847603 PBNKDZWBDXQCEZ-UHFFFAOYSA-N 355.506 6.818 0 40 FKAB Cc1cc(SCC(=O)N2CCC[C@H]2c2cccs2)nc2ccccc12 7988135 LJCZTUMWIPZUHL-KRWDZBQOSA-N 368.527 5.061 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1cccs1 9513656 XCXXYGFGLHFPKO-GOSISDBHSA-N 351.471 5.304 0 40 FKAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccccc1)[C@@H]2O 10272329 ZPIDDLUDNFHGDG-JSZQYLCGSA-N 360.497 5.303 0 40 FKAB COc1ccc2cc(-c3nc4cc5c(cc4c(C)c3C)OCO5)ccc2c1 12565724 DOENNGHTMGCTKL-UHFFFAOYSA-N 357.409 5.409 0 40 FKAB Cc1occc1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 12869978 ZLJCJFLRZNSAIQ-UHFFFAOYSA-N 367.257 5.194 0 40 FKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 13669859 YKGKERDDUSAICL-UHFFFAOYSA-N 353.506 5.134 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1c(Cl)cccc1Cl 13670685 KSUIKIQULZETKB-LBPRGKRZSA-N 366.313 5.204 0 40 FKAB CC1(C)CC(=O)c2c(Nc3cccc(Cl)c3)nn(-c3ccccc3)c2C1 20672054 OUZMBPDIRWLNPC-UHFFFAOYSA-N 365.864 5.424 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)N1c2ccccc2Sc2ccccc21 22525168 ORSMJKYQTANMJT-SFHVURJKSA-N 372.493 6.077 0 40 FKAB Cc1ccc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)cc1C 24755363 PLCNBSOBVSYSCT-MRXNPFEDSA-N 353.516 5.001 0 40 FKAB O=C(CSc1ccccc1)Nc1ccccc1SCC(F)(F)F 25089289 MCUPYGOSXGBIFP-UHFFFAOYSA-N 357.422 5.072 0 40 FKAB O=C(c1cccs1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl 28231922 OMAHXKLDDBNUQQ-UHFFFAOYSA-N 366.269 5.491 0 40 FKAB c1ccc(-c2oc3ncnc(NC[C@H]4CCCO4)c3c2-c2ccccc2)cc1 28879075 XNFHHOXCDUAYSR-GOSISDBHSA-N 371.440 5.148 0 40 FKAB COc1ccc(/C=C(/C(=O)N(C)Cc2ccc(C)cc2)c2ccccc2)cc1 44949271 XBZJYDFBPFEEHD-JJIBRWJFSA-N 371.480 5.203 0 40 FKAB CC(=O)c1c(F)cccc1NCc1ccc(Cn2cnc3ccccc32)cc1 60863495 QWRWMRKDJIYROX-UHFFFAOYSA-N 373.431 5.038 0 40 FKAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(Cl)c3Cl)c12 71283494 QIDJJZPWUMIRKY-UHFFFAOYSA-N 364.232 5.214 0 40 FKAB COc1ccccc1[C@H](C)N(C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 75109078 DJMBPTFNXLRMTF-HNNXBMFYSA-N 370.880 5.505 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccc2[nH]ccc2c1 96116284 GFEGWXDAHLGYQU-IBGZPJMESA-N 363.848 5.110 0 40 FKAB biogenic C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Cl 96586409 GLIDSOHWKURPLQ-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB O=C(Nc1cccc(Cl)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102719886 RRSLLQLMRWNJBR-AAVRWANBSA-N 358.696 5.135 0 40 FKAB aggregator CCc1ccc2oc(-c3ccc(-c4nc5cc(CC)ccc5o4)cc3)nc2c1 207530730 GSXZJIKZMPTZBZ-UHFFFAOYSA-N 368.436 6.428 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219316589 KVMJJEPVRBPSHT-OAQYLSRUSA-N 353.462 5.113 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(C(C)C)cc1 219601431 NLKMADSCQTZDEO-QFIPXVFZSA-N 353.506 5.025 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)Cc1ccccc1 223128157 PMIWUBKNYLLXCV-NRFANRHFSA-N 367.533 5.279 0 40 FKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COCC(C)C 224447904 HQKPCDMRZHQXFR-UHFFFAOYSA-N 363.457 5.273 0 40 FKAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1C(C)C 224568710 VQRMLVZHUGSDIQ-UHFFFAOYSA-N 367.489 5.024 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225898179 MXKDYUDDJPNARX-JOCHJYFZSA-N 372.509 5.336 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1 409051215 AKHVDMUXPPOPOA-UHFFFAOYSA-N 362.479 5.791 0 40 FKAB CCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 409110764 GOJDXZNCFVCWTF-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1 409118956 QSSUBPKHEOEXST-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1Cc1cccs1 643892126 KFGHVXKTPAJGLC-UHFFFAOYSA-N 366.515 5.477 0 40 FKAB COc1ccc(NC(=S)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 854342 MVSVREMXLOFLCU-UHFFFAOYSA-N 371.546 5.783 0 40 FKAB biogenic C[C@@H]1C[C@H](Nc2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 855423 KBDDQGYSDPGCQE-IERDGZPVSA-N 360.432 5.418 0 40 FKAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1 896247 OEJVPMZXBWKOMH-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\c3ccc(F)cc3)c2c1 1805958 XWWIMADBOVLQIY-SLEBQGDGSA-N 371.455 6.903 0 40 FKAB Cc1ccc2nc(-c3ccc(OC(=O)c4cccc(F)c4)cc3)sc2c1 2061942 XGXJSEAZNUFWBS-UHFFFAOYSA-N 363.413 5.630 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 2183250 KUFBDUSELVLBKS-AWEZNQCLSA-N 367.851 6.197 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3c2Nc2ccccc2S3)cc1 3264850 CUJJXBJPTXMYKV-UHFFFAOYSA-N 355.466 6.056 0 40 FKAB C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cccc(Cl)c1 3266407 ZQVSRHAXKKPUEO-NFOMZHRRSA-N 365.901 5.063 0 40 FKAB Cc1cc(C)cc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)c1 4023953 QTXLWERSFJGGTP-UHFFFAOYSA-N 362.860 5.602 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccs2)N3)C1 4553421 LSJRKZSHXATLBC-MEDUHNTESA-N 360.548 5.780 0 40 FKAB COc1ccc([C@@]2(c3ccccc3)OC(=O)c3ccccc32)c2ccccc12 4691809 AFFBRYNGQPKUPK-VWLOTQADSA-N 366.416 5.311 0 40 FKAB O=C(O)c1cc2ccc1CCCCCCc1ccc(cc1)CCCCCC2 4788006 KJHGBSNGHCALLP-UHFFFAOYSA-N 364.529 6.389 0 40 FKAB Cc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c(C)c1 5155406 CMOANJLDKYTKPV-UHFFFAOYSA-N 355.441 5.028 0 40 FKAB CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 5915843 GOMUZNCDBVKJCU-UHFFFAOYSA-N 364.876 5.427 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1ccc(C)cc1NC(=O)[C@H](CC)CCCC 6042864 QAMZKPKUBRNWOQ-RTBURBONSA-N 374.569 6.305 0 40 FKAB COc1ccc(Nc2nnc(S[C@H](C)c3ccc(F)cc3)s2)cc1 6058239 LISCBXBMKPJYAG-LLVKDONJSA-N 361.467 5.283 0 40 FKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6215559 ORCAINSGOBJJSV-OAHLLOKOSA-N 351.377 5.024 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 6629508 GURJWIXXEVRWGS-LDADJPATSA-N 368.502 5.157 0 40 FKAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1 6906278 MQFWBCDRBAQNEP-ACJLOTCBSA-N 370.518 5.337 0 40 FKAB COc1cc(CNCc2ccccc2)ccc1OCc1cccc(Cl)c1 8471943 SLOZXSNZHJYMFS-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB CCc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 10331702 LOQNSEUHLBHIFD-UHFFFAOYSA-N 366.686 5.236 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(OC)cc1 11916259 MGPBNGJEDBLBGU-UHFFFAOYSA-N 367.470 5.002 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3ccco3)c2C1)CC[C@@H](C)C4 12610191 QVYMBIMOWWZZOU-KGLIPLIRSA-N 351.515 6.196 0 40 FKAB C[C@H](NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 12630193 IHKKDXJCMRYZNU-IBGZPJMESA-N 372.468 5.009 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)C3CCCCC3)ccc12 16993265 OOTQFASSBCJTOD-UHFFFAOYSA-N 361.441 5.491 0 40 FKAB biogenic O=C1CCCc2c1c(Nc1ccc3ccccc3c1)nn2-c1ccc(F)cc1 20672173 XDPCPEPRXLIUNY-UHFFFAOYSA-N 371.415 5.427 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 30865083 LATXOPQUEFSCAW-YVEFUNNKSA-N 351.874 5.227 0 40 FKAB CC(C)c1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 36640163 JCFKVKHGFIMUIC-HXUWFJFHSA-N 358.485 5.391 0 40 FKAB S=C(NCc1coc(-c2cccs2)n1)Nc1ccc2ccccc2c1 44071967 NTDLOANSLHBGPN-UHFFFAOYSA-N 365.483 5.043 0 40 FKAB O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccs1 65551886 YFSMYIFBWIWDKZ-KRWDZBQOSA-N 372.287 5.030 0 40 FKAB CC(C)(C)Sc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72217416 HZEWTWFXPMUDHK-SFHVURJKSA-N 370.518 5.446 0 40 FKAB COc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Br 73634714 MFQWKOPWNLSQMB-UHFFFAOYSA-N 372.049 5.308 0 40 FKAB O=C(c1cccs1)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Cl)o1 79112412 WDIOJLPGJNHXIL-GFCCVEGCSA-N 362.863 5.048 0 40 FKAB Cc1ccc2[nH]c(C)c(CC(=O)O[C@H](c3ccccc3)c3ccccn3)c2c1 84208118 OPWMQNCOTUTUGA-XMMPIXPASA-N 370.452 5.055 0 40 FKAB Cc1cc(NC(=O)Nc2ccc(C(C)C)cc2)cc2c1N(C)C(=O)C2(C)C 96182164 NHRMTSMJLPBATG-UHFFFAOYSA-N 365.477 5.016 0 40 FKAB CCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 100003794 ATZOGSYGFMORGR-HDICACEKSA-N 352.474 5.988 0 40 FKAB CCCCCCCCCCCCCCCCCC(=O)OCCC(=O)O 100307298 UMBHGGZUUFXXIL-UHFFFAOYSA-N 356.547 6.266 0 40 FKAB CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219653281 SNYQYLACUFMERF-MRXNPFEDSA-N 355.547 5.976 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224446662 WHPJWWSVGMPLEQ-FQEVSTJZSA-N 365.860 5.388 0 40 FKAB O=C(O)[C@H](Cc1cccc2ccccc12)Oc1ccc(-c2ccccc2)cc1 225048649 QZISCDIMRVFENI-DEOSSOPVSA-N 368.432 5.582 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3)nc2c1 225261432 IDMYIWVYXQGJNE-UHFFFAOYSA-N 369.468 5.914 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccccc1Cl 409111936 ALTWATNLYLEPHW-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)o1 1889139300 ZMDCSLTVAOWENP-UGRQATLGSA-N 368.561 6.375 0 40 FKAB COc1ccccc1C1=COc2cc(OCc3ccc(C)cc3)ccc2[C@@H]1O 1322197 XXSCFIHQVZYJOK-DEOSSOPVSA-N 374.436 5.050 0 40 FKAB biogenic COP(=O)(OC)[C@H](Nc1ccc(Br)cc1)c1ccccc1 2344532 PBAUVMVGDWTMDA-HNNXBMFYSA-N 370.183 5.046 0 40 FKAB Cc1nc2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2s1 2636393 NVTKJYMZDPRWRO-UHFFFAOYSA-N 374.531 5.011 0 40 FKAB O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc(Oc2ccccc2)cc1 2948381 MIDOUHPCKXHIJV-OAQYLSRUSA-N 365.429 5.397 0 40 FKAB O=C(COc1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 3346222 SNILUCJYNJSWKL-UHFFFAOYSA-N 367.242 5.378 0 40 FKAB O=C(c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 4091583 QAIIYMOYRSEIEW-ZIAGYGMSSA-N 370.073 5.742 0 40 FKAB CSC(=S)Nc1ccc(-c2ccc(NC(=S)SC)cc2)cc1 4235690 POTPKSJWZMREAR-UHFFFAOYSA-N 364.586 5.473 0 40 FKAB biogenic O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc2ccccc12 4578221 PNPVLTGMBGNDEN-UHFFFAOYSA-N 364.404 5.900 0 40 FKAB Fc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccncc3)n2)c1 4722744 QMMONNWTSVLTJG-UHFFFAOYSA-N 361.807 5.665 0 40 FKAB CC[C@@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H](CC)c1ccc2c(c1)C[C@H](C)O2 4806226 LHXPONQGAROOEF-QDGJQWLKSA-N 350.502 6.021 0 40 FKAB Cc1ccc([S@@](=O)Cc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 5218287 OECNWAKUCUMYCF-HHHXNRCGSA-N 374.461 5.280 0 40 FKAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5458975 SPRCRJFJKWTOIK-UNMCSNQZSA-N 355.441 5.191 0 40 FKAB Fc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 5624195 VYVQDIRINZMQHB-UHFFFAOYSA-N 361.445 5.366 0 40 FKAB O=C(Nc1cccc(Cl)c1)O[C@H](c1ccccc1)c1ccc(Cl)cc1 5684853 GWKZPDGDETZWEX-LJQANCHMSA-N 372.251 6.332 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3Cl)n2)c(C)c1 6221272 PXWJEUTWAFSHRU-UHFFFAOYSA-N 356.878 5.641 0 40 FKAB O=C(CNc1ccccc1Oc1ccccc1)Nc1ccccc1Cl 6250079 SBAHYVCWSVTQML-UHFFFAOYSA-N 352.821 5.183 0 40 FKAB COc1ccc(-n2c(C)cc(/C=C3/Sc4ccccc4C3=O)c2C)cc1 6414978 JFQANEFPUOXLBE-FYJGNVAPSA-N 361.466 5.432 0 40 FKAB OC1=Nc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(F)cc2F)C1 8990448 MLAYHPYVEFSCIK-CYBMUJFWSA-N 359.763 5.132 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 9190327 UNRMFGQJCLLPHE-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB Cc1ccc(-c2onc3ccc(C(=O)Nc4cccc(C)c4C)cc23)cc1 9528990 OCOUXORWIYDAIU-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CC(C)c1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 11666859 JHQJZHSHFGWFGM-UHFFFAOYSA-N 351.421 5.780 0 40 FKAB Cc1cc(OCc2cccc3ccccc23)c2c3c(c(=O)oc2c1)CCCC3 11692237 PWAHGYAONBMEPP-UHFFFAOYSA-N 370.448 5.712 0 40 FKAB Clc1c(-c2nn3c(-c4ccccc4)nnc3s2)sc2ccccc12 12274133 OPUBVSDKUKRPPD-UHFFFAOYSA-N 368.874 5.388 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 13098393 KCFQFDAEQSMTFC-JWTNVVGKSA-N 356.506 5.040 0 40 FKAB Cc1ccc(OCCS[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 15492261 AYYDTSWZZAGUJW-OAHLLOKOSA-N 363.910 5.096 0 40 FKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)CC(C)(C)C)c2)cc1 19691360 WNKCIFCQQKWLFM-OAQYLSRUSA-N 366.505 5.165 0 40 FKAB CCOc1cc(CN[C@H](C)CC)cc(Cl)c1OCc1ccc(C)cc1 20573278 HRNUOVSNRWPUAM-MRXNPFEDSA-N 361.913 5.514 0 40 FKAB O=C(Cc1cccs1)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 21759189 ZIQIITMTNWOPFV-UHFFFAOYSA-N 373.424 5.122 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccccc1 22072538 JIHQBSGJWAILFY-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB Clc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 23126861 XIKGVJQFDWZXHR-UHFFFAOYSA-N 357.891 5.404 0 40 FKAB O=C(Nc1nc2c(F)cccc2s1)Nc1ccccc1C(F)(F)F 36709364 HGYVAGAGHCKXJY-UHFFFAOYSA-N 355.316 5.098 0 40 FKAB CC(C)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44837940 JZAMYFSFXCRWCJ-UHFFFAOYSA-N 355.441 5.606 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 44880588 DMSNWFKZDVYZTA-DYESRHJHSA-N 353.506 5.327 0 40 FKAB Cc1cc2cc(CNc3ccc(Oc4ccccc4)cc3)c(=O)[nH]c2cc1C 57710005 WRRZPFGUKOXNSX-UHFFFAOYSA-N 370.452 5.549 0 40 FKAB C[C@@H](Nc1ccc(NC(=O)Nc2ccncc2)cc1Cl)c1ccccc1 58157529 JFVUZCCCNBUASP-CQSZACIVSA-N 366.852 5.552 0 40 FKAB Clc1c(CN[C@@H](c2ccccc2)c2ccncc2)sc2ccccc12 95956346 ZCZXDCNCGPLOOY-NRFANRHFSA-N 364.901 5.829 0 40 FKAB Cc1c(-c2nnc3sc(/C=C/c4ccccc4)nn23)oc2ccccc12 96194376 SFWWVYSGZIMYLW-VAWYXSNFSA-N 358.426 5.078 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3nc(-c4ccc(C(C)C)cc4)oc3c2)c1 98086877 VFPPJYZJOFXMGU-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB CC(C)c1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccco4)C3=C(O)C2)cc1 102402308 YAKNFRYRCNIQPA-HRAATJIYSA-N 374.444 5.060 0 40 FKAB c1ccc(/N=c2\ss/c(=N/c3ccccc3)n2-c2ccccc2)cc1 103668371 WYTYFWXFWAQROR-OLAQIDGISA-N 361.495 5.065 0 40 FKAB O=[P@]1(Cc2ccccc2)C(c2ccccc2)=C(O)C[C@H]1c1ccccc1 104183312 MJSUUSHGYQJORK-NVQXNPDNSA-N 360.393 6.622 0 40 FKAB COc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl 106975629 IRJUDSXHXPJWIO-UHFFFAOYSA-N 351.060 5.921 0 40 FKAB O=C(NCc1ccc2ccccc2c1)/C(=C/c1ccccc1)c1ccccc1 222750710 MRKKELRLHDYLLI-XIEYBQDHSA-N 363.460 5.697 0 40 FKAB CCc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225261388 YBBZSBLJNBUYSG-UHFFFAOYSA-N 355.441 5.353 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C(C)C 225667065 NNOKLWXRTBTZCS-SFHVURJKSA-N 367.533 5.613 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 225721001 WFDQVHMHHPHLCK-UHFFFAOYSA-N 373.496 5.403 0 40 FKAB CCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225732674 OCXLUYBZIOCENM-QHCPKHFHSA-N 369.505 5.416 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3cc(C)ccc3C)CCCC2)cc1 225842138 LGISJAAYKKYKGW-UHFFFAOYSA-N 368.546 5.458 0 40 FKAB Cc1ccccc1C(=O)Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 408563672 WLAYLAOSNBPLJQ-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB C[C@@H](Sc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408773816 STQDVPVIJIWZBE-LJQANCHMSA-N 361.510 5.396 0 40 FKAB CC(C)c1nccc(-c2ccc(F)cc2O)c1C[C@@H](C[C@@H](C)O)C(C)C 669371052 SPPKDGPRXOXIPQ-HZPDHXFCSA-N 359.485 5.302 0 40 FKAB CC(=O)[C@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 888089106 HVHYRVHDTSSVNF-BWFGLJCPSA-N 368.561 5.462 0 40 FKAB CC[C@H](C)C(=O)Nc1ccc(Cc2ccc(NC(=O)[C@@H](C)CC)cc2)cc1 683155 DFBCMXYLFRNJBB-IRXDYDNUSA-N 366.505 5.247 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 953127 BMZFMMWFTQUVHW-LBPRGKRZSA-N 368.260 5.025 0 40 FKAB CCNc1nc(Sc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 1396718 MBTYVEFIGZWGJL-UHFFFAOYSA-N 368.211 5.385 0 40 FKAB Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)c(C)c2)cc1C 2133459 KIOGDCOTJIWRHO-UHFFFAOYSA-N 352.478 5.058 0 40 FKAB CC1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 2647466 ZVASPCFVVGOLNM-UHFFFAOYSA-N 364.876 5.427 0 40 FKAB Cc1ccc(C(C)C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1 3094900 RVGQGCIMTBCBJQ-UHFFFAOYSA-N 357.294 5.090 0 40 FKAB CCc1cccc(C)c1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541828 PICXGBIQNVZIML-UHFFFAOYSA-N 367.876 6.042 0 40 FKAB Cc1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 4727412 CVEAAUGUSNUSLF-BIOCXDLKSA-N 353.465 5.022 0 40 FKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 5079522 BUHCDTQHVQSFJY-QHCPKHFHSA-N 367.404 5.016 0 40 FKAB COc1ccc(-c2coc3c(C)c4oc(=O)c(C(C)C)c(C)c4cc23)cc1 5235602 LGACASNQYJVKFO-UHFFFAOYSA-N 362.425 5.955 0 40 FKAB FC(F)(F)c1nnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 5874945 VZUKLAWVFVOAFF-UHFFFAOYSA-N 367.783 5.362 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)cc1 5935784 AAEDYDHHJHSVKZ-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 6479676 BTXHFIDIKRFIDA-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB FC(F)(F)c1nc(NCc2ccc(Cl)cc2)nc2c1CCCCC2 6814456 QOZXSRAFSLIMAK-UHFFFAOYSA-N 355.791 5.030 0 40 FKAB Fc1ccc(-c2csc3ncnc(Oc4ccc(F)c(Cl)c4)c23)cc1 7990400 DLVPOBKYTZULIN-UHFFFAOYSA-N 374.799 6.082 0 40 FKAB CCOC(=O)c1cc(CSc2ccnc3cc(Cl)ccc23)c(C)o1 12410676 ZBRWXTNAESMMCN-UHFFFAOYSA-N 361.850 5.259 0 40 FKAB S=c1oc(-c2ccccc2Cl)nn1CN1CCC[C@H]2CCCC[C@@H]21 13097669 JVLNHMIJCWXZMX-CJNGLKHVSA-N 363.914 5.138 0 40 FKAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)o1 13641038 BDFRSCZHMIMORJ-UHFFFAOYSA-N 365.216 5.034 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14013425 PNSAVYKGSGHMTD-INIZCTEOSA-N 372.679 5.751 0 40 FKAB O=C(c1ccc2ccccc2c1)N1CCC[C@H](c2nc3ccccc3s2)C1 14246902 HTCHAJGOHRJMHW-IBGZPJMESA-N 372.493 5.469 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1C1CCCCC1 16525308 WKFYJNQVGBDIOB-CCEZHUSRSA-N 369.468 5.553 0 40 FKAB COc1ccc([C@@H](NC(=O)/C=C(\C)c2ccccc2)c2ccccc2)cc1 17193732 WMOMDRTXZCXXML-XGAHLHMBSA-N 357.453 5.004 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 20045384 JZWQYKOSNNKZSH-INIZCTEOSA-N 371.786 5.463 0 40 FKAB COc1cccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)c1 21579011 QDKYJOAMRDWIIJ-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB COc1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)cc1 22005470 NMMNBXJQDUKHLC-UHFFFAOYSA-N 372.380 5.224 0 40 FKAB COc1ccccc1CN(Cc1nc2ccccc2o1)Cc1cccs1 24816673 KOQQOOHWVFKSOD-UHFFFAOYSA-N 364.470 5.100 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(Cl)cccc1Cl 30871003 JBNIUBGPMMKYJZ-SFHVURJKSA-N 374.267 5.943 0 40 FKAB C[C@H](C1CC1)N(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CC1 48287530 OUQDCLKBEOJRQY-MRXNPFEDSA-N 356.469 5.305 0 40 FKAB O=C(c1[nH]c2ccccc2c1Cl)N(Cc1ccccc1)Cc1ccco1 58417601 QDDQIGAYYIUOEQ-UHFFFAOYSA-N 364.832 5.257 0 40 FKAB C[C@H](NCc1cnc(C(C)(C)C)s1)c1ccccc1Br 59180772 KYFPWXTZRCZQDD-NSHDSACASA-N 353.329 5.054 0 40 FKAB CCCCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 67259027 YIFCMALTDKGYBU-UHFFFAOYSA-N 372.921 5.532 0 40 FKAB Cc1cc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)ccc1C(C)C 72427555 WQHPAWFLPSINJR-UHFFFAOYSA-N 355.821 5.131 0 40 FKAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccc(Cl)cc1 85397516 RMPXQELBUFHPDV-UHFFFAOYSA-N 373.861 5.138 0 40 FKAB O=C(Cc1cccc(Cl)c1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 223569774 ZYFZWACEQFJKJB-IBGZPJMESA-N 369.892 5.225 0 40 FKAB CC(C)CNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225276101 OXRHFHMGNBBBET-UHFFFAOYSA-N 368.546 5.158 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 225508326 UAKKLVCXLUNIJB-JOCHJYFZSA-N 360.526 5.688 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2F)c2ccccc2)c(C)c1 225767655 URFZESGGOFVGCK-NRFANRHFSA-N 364.489 5.519 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 225870219 YWHYZPFCUQUBIH-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)c1cc2cccc(Cl)c2oc1=O 226039612 RGDMSBXWQDKGRA-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB Cc1ccc(N=c2scc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254745705 UHYFWUIPTTXUHJ-UHFFFAOYSA-N 370.521 6.363 0 40 FKAB Cc1cccc(C)c1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408622880 QAFDLTDXHGMPRF-UHFFFAOYSA-N 368.889 5.237 0 40 FKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1 408674887 DRTXVSPLRIJRDC-UHFFFAOYSA-N 368.436 5.045 0 40 FKAB Cc1ccc(CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1 409106834 OSHXAHXQROMZPZ-UHFFFAOYSA-N 351.519 5.126 0 40 FKAB O=C(NCc1nc(C2CCCCC2)cs1)C1(c2cccs2)CCCC1 575609609 YOTAZWZCAVBBFG-UHFFFAOYSA-N 374.575 5.381 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 632704 MBDORXFHJSARPL-UHFFFAOYSA-N 357.331 5.750 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C(C)=O)cc3)sc2c1 675090 NUPADTHKZDLYHH-UHFFFAOYSA-N 359.834 5.018 0 40 FKAB Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 728250 KLFCJJLWYHSHGU-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)c1 1031052 QSCPGBISISMWAN-HNHZEOAVSA-N 367.492 5.929 0 40 FKAB O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Cl 1065056 YVVUFRUDAWTUIA-UHFFFAOYSA-N 371.072 5.101 0 40 FKAB CC(=O)Nc1ccc(N[C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)cc1 1281027 DXRPPJSMJMUHDI-HSZRJFAPSA-N 370.456 5.031 0 40 FKAB CC1=CC(C)(C)N(C)c2cc([C@@]3(C)CC(C)(C)N(C)c4ccccc43)ccc21 2277321 MUYVMWPJMWIJIK-AREMUKBSSA-N 374.572 6.243 0 40 FKAB Clc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 2279684 CRYMKDAMORNNSV-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB c1ccc(CNc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 2449087 UBWCTCYETUNNGR-UHFFFAOYSA-N 351.409 5.655 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 3881979 XYGMEFJSKQEBTO-LMSKRDFESA-N 364.913 5.017 0 40 FKAB biogenic,in-vitro CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1 3911642 YFPLONYSOKOKNC-UHFFFAOYSA-N 359.498 6.084 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccnc2)N3)C1 4122630 NFVCBBGNDMXPBY-DYVFJYSZSA-N 355.507 5.113 0 40 FKAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 5234071 OSQKWRDFBLTMKK-UHFFFAOYSA-N 359.450 5.308 0 40 FKAB CP(=O)(OC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 5257369 FMDMRCJQMYRNNG-UHFFFAOYSA-N 364.466 5.780 0 40 FKAB O=C(C1=C[C@H]2Cc3ccccc3[C@@H]2C=C1)c1cccc(Br)c1 5875465 PTTZZBPFQKBWPC-VQIMIIECSA-N 351.243 5.084 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1C 6260880 SSXJYIGLIPJPEN-UHFFFAOYSA-N 354.450 5.056 0 40 FKAB CC(=O)Nc1ccc(SCc2c(-c3ccccc3)nc3ccccn23)cc1 7049783 WMCYLQDRKMGNSB-UHFFFAOYSA-N 373.481 5.252 0 40 FKAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1C(F)(F)F 8262894 JJQGDWCQTWVWAP-MRXNPFEDSA-N 353.771 5.240 0 40 FKAB COc1ccccc1[C@H](CCN[C@@H](C)c1cccs1)c1ccccc1 9547983 YCLCFBSSPRTVOW-PKOBYXMFSA-N 351.515 5.630 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCCc2cc(Br)ccc21 12360310 URJLDBLZQOOTIB-UHFFFAOYSA-N 372.287 5.257 0 40 FKAB C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)c1ccc2c(c1)CCC2 12364896 LRBVAWRJMYIISQ-ZDUSSCGKSA-N 367.901 5.740 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 12758597 VFXXIHTWVXRENB-UHFFFAOYSA-N 366.511 5.273 0 40 FKAB O=C(/C=C/c1cccc2cccnc12)OCc1ccc(Cl)cc1Cl 14811095 RSCYIOUNRJFPPY-VQHVLOKHSA-N 358.224 5.298 0 40 FKAB Fc1cccc(CSc2ncnc3sc(-c4ccccc4)cc23)c1 15277074 JYEGQYYFDRKWGK-UHFFFAOYSA-N 352.459 5.790 0 40 FKAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)o1 16434544 IQIDXWIAODFCTJ-DYVFJYSZSA-N 356.853 5.343 0 40 FKAB CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1ccc(Cl)c(N)c1 19736707 DPDZPRYITSPGLV-UGSOOPFHSA-N 360.885 5.232 0 40 FKAB FC(F)(F)c1ccc(Cl)c(-c2ccc(CNC3CCCCC3)o2)c1 20158587 COSCBQCWNQJNAS-UHFFFAOYSA-N 357.803 6.041 0 40 FKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C)cc1 30869604 LXGJTOIGXLPTNE-HSZRJFAPSA-N 359.469 5.455 0 40 FKAB CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1OC 33748224 FAEGRXQLHGPTSU-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB Clc1ccc(Cl)c(Nc2nc(-c3ccccc3Cl)cs2)c1 67321770 NZOZRWVOALZMGV-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1c(F)cc(F)cc1-c1ccccc1 71817146 UMSHMGSFFNKNPS-UHFFFAOYSA-N 373.402 5.966 0 40 FKAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(F)c1 78536318 ZKHITVXQZCTPTM-UHFFFAOYSA-N 366.230 5.019 0 40 FKAB CC(C)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 102402250 DVASEIMGQMNAIH-IIBYNOLFSA-N 374.444 5.060 0 40 FKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CSc1nc3ccccc3s1)C2 102988654 WJUFQEMJXSTCQU-ODYMNIRHSA-N 361.532 5.146 0 40 FKAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)cc1Cl 106107359 CUJGWMXVFOOOMZ-UHFFFAOYSA-N 368.864 5.081 0 40 FKAB S=C(S)[PH](C1CCCCC1)(C1CCCCC1)C1CCCCC1 150385143 GWEPSLUVJLFJOL-UHFFFAOYSA-N 358.597 6.949 0 40 FKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 208519539 JSIYDWTZNGDBJQ-CXUHLZMHSA-N 361.850 5.353 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 219525671 AEYREVLMWVHXKS-ROUUACIJSA-N 353.506 5.246 0 40 FKAB O=C(NCCOc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)o1 224019412 VBYBZGUOZVFHLK-UHFFFAOYSA-N 365.816 5.048 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COC(C)C 224716216 JLROMIDESMGVIE-UHFFFAOYSA-N 361.869 5.224 0 40 FKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c3ccccc23)CCCC1 225851099 ZHOBFRDKINRMCH-QGZVFWFLSA-N 369.505 5.695 0 40 FKAB Brc1cc(-c2nc3ccccc3s2)oc1N1CCCCC1 409189293 OVVFUJBUFZLKOV-UHFFFAOYSA-N 363.280 5.309 0 40 FKAB Cc1cc(C(=O)Nc2nc3ccc(F)cc3s2)sc1-c1ccccc1 526052375 FXQBJEVEGGNDMA-UHFFFAOYSA-N 368.458 5.725 0 40 FKAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cc2ccccc2s1 675008098 ZXQLTRAALSOKBA-OAHLLOKOSA-N 353.468 5.118 0 40 FKAB CC1(C)C[C@@](C)(c2ccccc2)c2cc(N)ccc2N1C(=O)c1ccccc1 1857657086 JYNYCJSGXBNGFT-VWLOTQADSA-N 370.496 5.404 0 40 FKAB O=C(NCCc1ccc(-c2cccs2)s1)C1(c2ccc(F)cc2)CC1 1889279049 YNNWFFCUGZPJGJ-UHFFFAOYSA-N 371.502 5.006 0 40 FKAB Cc1nc(Oc2ccc(Cl)cc2Cl)c2c3c(sc2n1)CCC3 1098288 AYSJRZNOJNARBK-UHFFFAOYSA-N 351.258 5.588 0 40 FKAB Cc1cccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1C 1786382 PRGYGDUTSANYJZ-UHFFFAOYSA-N 367.533 6.348 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1 1914071 WKJACIHXHRRCBX-UHFFFAOYSA-N 354.475 5.019 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Cl)cc1 1948852 YBJOUXULKHCLEP-XBXARRHUSA-N 369.631 5.086 0 40 FKAB CC1CCN(c2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)CC1 2268640 PFJYZTWOBXMFCB-UHFFFAOYSA-N 372.299 5.840 0 40 FKAB CCOP(=O)(Cc1cn(Cc2ccccc2)c2ccccc12)OCC 2581744 XMFPOXYSSVFURJ-UHFFFAOYSA-N 357.390 5.456 0 40 FKAB CCCC1CCC(c2ccc(-c3nc(Cc4ccccc4)no3)cc2)CC1 3012092 VDMRYQAKYFIKRF-UHFFFAOYSA-N 360.501 6.401 0 40 FKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1c(F)cccc1Cl 3342222 KAXDFOUHXXSLHX-BQYQJAHWSA-N 358.718 5.255 0 40 FKAB Fc1cccc(Cl)c1COc1ccc2ccccc2c1Br 3361261 NTSNXQPFXIIMBM-UHFFFAOYSA-N 365.629 5.974 0 40 FKAB CCCCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 4554519 WEVQREDLMLFZMQ-UHFFFAOYSA-N 373.905 6.272 0 40 FKAB c1ccc(C2=NN(c3ccccc3)c3nc4c5ccccc5ccc4n3C2)cc1 4730293 YWGYHMSEEBBVAF-UHFFFAOYSA-N 374.447 5.746 0 40 FKAB O=C(CSc1cccc2ccccc12)c1ccc(Br)cc1 4740869 RPTJXFUIWZIPBZ-UHFFFAOYSA-N 357.272 5.577 0 40 FKAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)ccc3s2)cc1 4753378 PSJWMUHAWGZQRH-UHFFFAOYSA-N 370.543 5.678 0 40 FKAB Cc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1 5053915 ZVQPYWHDWRCFRN-SFHVURJKSA-N 365.483 5.044 0 40 FKAB CC1(C)Cc2nc(-c3ccccc3)nc(SCc3ccccc3)c2CO1 5206117 PUYZAJGFNDODPZ-UHFFFAOYSA-N 362.498 5.287 0 40 FKAB Cc1cccc(CSc2nnc(SCc3cccc(C)c3)s2)c1 5795972 HSBQASUPPCZHEW-UHFFFAOYSA-N 358.557 5.740 0 40 FKAB COc1ccc(CSC(=S)Nc2ccc(SC)c(Cl)c2)cc1 6411223 MDTWJRXFOBPGOZ-UHFFFAOYSA-N 369.964 5.701 0 40 FKAB CSc1cccc2sc(Nc3cccc(Br)c3)nc12 7447763 JJBGXCGJTWWCHU-UHFFFAOYSA-N 351.294 5.524 0 40 FKAB COc1ccccc1/C=C/C(=O)Nc1ccccc1Sc1ccccc1 8169052 BYRCSBDBSFLRDR-FOCLMDBBSA-N 361.466 5.498 0 40 FKAB CCCCOc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 12604024 KWDKNJJNTVVWRD-DTQAZKPQSA-N 367.470 5.491 0 40 FKAB CCn1c(SCc2cccc(C)c2)nnc1[C@H](C)Oc1ccccc1 13849836 XMLOXXYJTUWGTJ-INIZCTEOSA-N 353.491 5.039 0 40 FKAB Cc1nc(Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c2c3c(sc2n1)CCC3 14196837 NAARHGQKSSDSHC-VIFPVBQESA-N 368.433 5.110 0 40 FKAB Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)c(C)c1 21005994 YSTGTIWTVRTSSS-UHFFFAOYSA-N 372.877 5.451 0 40 FKAB Cc1ccc(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 22053750 MPRHXXSSJCXBKG-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 22526100 FNMPTBOHDJQAQJ-HNNXBMFYSA-N 374.720 6.156 0 40 FKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 40485406 HDWAKLHVTJIKKM-QFIPXVFZSA-N 373.427 5.187 0 40 FKAB Cc1c(F)cccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 71760528 CBEOAIUIACEMME-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB Nc1cc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 72229439 LEYHNZFRHFNEFD-UHFFFAOYSA-N 357.240 5.495 0 40 FKAB CCc1ccc(-c2cs/c(=N/c3ccc(C)cc3)n2CC(C)C)cc1 102962644 VVFOALDTCQNMNM-GHVJWSGMSA-N 350.531 5.976 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CCCSc1ccc(Cl)cc1 222684229 GVXWMMUFXSPCBA-UHFFFAOYSA-N 354.302 5.813 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C 223397172 CHKABGRRIXKJPN-JKSUJKDBSA-N 361.938 5.623 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224118477 VLIYHYIWBOXSRG-HNNXBMFYSA-N 355.503 5.083 0 40 FKAB CC(C)C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225374384 VPOYYJVLJIWONK-LJQANCHMSA-N 364.316 5.830 0 40 FKAB O=C(CSc1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2 408544202 TYTCLXGJUAEVLO-UHFFFAOYSA-N 351.515 5.017 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl 408628871 FPIMUFVQOHZNIR-HNNXBMFYSA-N 372.896 5.370 0 40 FKAB CC(C)[C@H]1CC(CCNCc2ccco2)(c2ccccc2)C[C@H](C(C)C)O1 524734702 FGZGVDGPFLBUDF-DHIUTWEWSA-N 369.549 5.557 0 40 FKAB C[C@@H](Cc1ccccc1)NCC(=O)N1c2ccccc2Sc2ccccc21 669368908 PZTBMDZMMKFSOF-KRWDZBQOSA-N 374.509 5.037 0 40 FKAB C[Si](C)(C)C1=C[C@@H](NC2CCCCC2)n2c(nc3ccccc32)S1 675009498 KGIXSFKHPXSGEG-KRWDZBQOSA-N 357.599 5.324 0 40 FKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3n21 819846 NAEMQHRBHSRZLO-UHFFFAOYSA-N 358.011 5.319 0 40 FKAB COc1ccc(-c2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 1321297 XBJITSDTKVMANW-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic COc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1)C(C)(C)N2 2067058 ICSGVJVMMIBOBY-ZZEZOPTASA-N 354.500 5.378 0 40 FKAB Clc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 2317343 DSHGYAYDGQQHOQ-UHFFFAOYSA-N 365.263 6.718 0 40 FKAB CC(C)c1cccc(Oc2nc(-c3ccccc3F)nc3ccccc23)c1 2432387 VHEXLHOAYRLVEH-UHFFFAOYSA-N 358.416 6.352 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2cccs2)nc2ccccc12 2740339 LWEILWOTPCQRNO-HUUCEWRRSA-N 350.487 5.366 0 40 FKAB CCOP(=O)(OCC)[C@](C)(CC)Nc1ccc(Cl)c(Cl)c1 3154448 UNIFSARPSLSTCQ-CQSZACIVSA-N 354.214 5.798 0 40 FKAB FC(F)(F)c1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1 3175394 KNYVGNRPDDBAIP-UHFFFAOYSA-N 365.358 6.059 0 40 FKAB O=C1CN(c2cccc3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 3254046 TYFGLTGZSLTGTH-UHFFFAOYSA-N 371.223 5.120 0 40 FKAB FC(F)Sc1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1 3339174 NCJIRAWZKMZVIX-UHFFFAOYSA-N 360.454 5.963 0 40 FKAB CCCCC(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1 4577644 CBDQGAKRKXYAAD-UHFFFAOYSA-N 357.841 5.145 0 40 FKAB O=C1C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)OC1CCCCC1 4887739 JSHJFTGXJFYJMM-YMPZKCBVSA-N 362.469 5.019 0 40 FKAB COc1ccccc1-n1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21 4970075 MEFYWWWAOJWEFO-UHFFFAOYSA-N 365.436 5.558 0 40 FKAB CCc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459060 YILJBYRSIULZSG-GMAHTHKFSA-N 371.459 5.884 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2s1 5629378 UJNXDUNQQMQIPF-UHFFFAOYSA-N 356.516 5.459 0 40 FKAB CCCCCC1CCC(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 5951067 NUNWZEVOCOKZCA-UHFFFAOYSA-N 363.545 6.722 0 40 FKAB Cc1nc2ccc(NC(=S)Nc3ccc4ccccc4c3)cc2nc1C 6235754 MRFYSNUAAJFVLV-UHFFFAOYSA-N 358.470 5.209 0 40 FKAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2C)n1 6464374 CPOCRTPTIFKGFO-UHFFFAOYSA-N 357.413 5.173 0 40 FKAB CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 7597887 SVVDJJVUNHLAJB-UHFFFAOYSA-N 354.500 5.563 0 40 FKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9426271 SBMNMIWCKMVLRC-XMMPIXPASA-N 366.464 5.790 0 40 FKAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 13549540 WCCMSEKOBAVWAB-HNNXBMFYSA-N 372.881 5.377 0 40 FKAB CCCC[C@@H]1CN(Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 13564178 NLZAJSMJSPJNTI-HSZRJFAPSA-N 374.528 5.805 0 40 FKAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](c1ccsc1)CC(O)=N2 13570876 OMGOAGWRKRBRDZ-CYBMUJFWSA-N 357.866 5.328 0 40 FKAB CCCCOc1ccc(NC(=O)c2ccc(OCC)cc2)c2cccnc12 28293284 LWXICVFAXAAQOW-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB Cc1csc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n1 29600190 XFQRYKJKJHZMNL-UHFFFAOYSA-N 367.455 5.087 0 40 FKAB CC[C@H](C)CO[C@H](c1ccccc1)c1nc2ccccc2n1C[C@H](C)CC 35099549 BSQWVXZDAUXJLE-SELNLUPBSA-N 364.533 6.235 0 40 FKAB COc1cccc(Nc2c(-c3cccc(O)c3)nc3ccc(Cl)cn23)c1 35616161 BFTDWNPDXIDYOF-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(N3CCCCC3)sc21 36358906 LESHQHZPKZWBQS-OAHLLOKOSA-N 371.506 5.044 0 40 FKAB COc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 59472306 VYOGENKALPDMAI-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CC(=O)Nc1c(-c2cc(=O)oc3ccc(C(C)C)cc23)oc2ccccc12 100650784 MRRQOJLYZSTPLQ-UHFFFAOYSA-N 361.397 5.288 0 40 FKAB biogenic CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 219608543 PIMLQKFHPRYEIH-VQTJNVASSA-N 359.897 5.401 0 40 FKAB Cc1ccccc1CSCCNC(=O)CCc1cccc2ccccc12 222664555 QHSOOHYBIARBJH-UHFFFAOYSA-N 363.526 5.130 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc2c(c1)CCCC2 223106630 KJELVXNZBPFMFX-LEWJYISDSA-N 369.480 5.129 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(CCCC)cc2)ccc1OC 224442279 YZIOYBONEIYZDJ-UHFFFAOYSA-N 369.505 5.607 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 225372110 UBEOUDKPBAJRPY-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225653225 FWGZFHMNQFGLTK-QFIPXVFZSA-N 363.542 5.796 0 40 FKAB C[C@H]1CC[C@H]2[C@H](O1)c1cccc(OCc3ccc(F)cc3)c1OC2(C)C 257225531 FGQBLZOTCSNBDO-ADLFWFRXSA-N 356.437 5.432 0 40 FKAB O=C(NCCSC1CCCCC1)c1cc2c(ccc3ccccc32)o1 408614671 GCHGVXCNXACOIL-UHFFFAOYSA-N 353.487 5.382 0 40 FKAB CC1(C)CC(=O)c2c(nc3c(c2-c2cccc(F)c2)[C@@H](O)c2ccccc2-3)C1 408986204 ONOZREVGLOSAQA-QHCPKHFHSA-N 373.427 5.105 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)c1 409180396 RFWKNTBNODHVLC-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CCCCOc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775060 PUJWHWWOQJQQPA-UHFFFAOYSA-N 372.848 6.034 0 40 FKAB Cc1cc2n(n1)[C@H](c1ccc(-c3ccccc3)cc1)Nc1c(C)cccc1-2 2178854 ROIBEUVQORPLRJ-XMMPIXPASA-N 351.453 5.806 0 40 FKAB COc1ccc(Oc2nc3ccccc3cc2-c2ccc(Cl)cc2)cc1 3050873 ZZTLCMVQSDOGPK-UHFFFAOYSA-N 361.828 6.356 0 40 FKAB O=C(c1ccc(-c2ccccc2)cc1)N(c1ccccn1)c1ccccn1 3169026 ZNRBGRZARGNWNY-UHFFFAOYSA-N 351.409 5.122 0 40 FKAB CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)c3ccccc3)c12 4042870 HRUVIWKVZXKBQP-MRXNPFEDSA-N 364.441 5.094 0 40 FKAB biogenic O=C(CSc1ncnc2ccccc12)c1ccc(-c2ccccc2)cc1 4717364 SQFMXUREYHSHMC-UHFFFAOYSA-N 356.450 5.272 0 40 FKAB CCc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 5572713 KAKKHHDWTQOODV-UHFFFAOYSA-N 372.424 5.366 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 5742933 IRVNXTZDUTXMJY-FJYDYCOSSA-N 364.485 5.536 0 40 FKAB Cc1cc2occ(CC(=O)NCc3ccccc3Cl)c2cc1C(C)C 5938161 WREHTKNQOZTRGY-UHFFFAOYSA-N 355.865 5.377 0 40 FKAB Cc1ccc(C)c(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 6167717 OKIHYWFYULGLIT-UHFFFAOYSA-N 372.420 5.361 0 40 FKAB biogenic CCOc1ccc(Oc2ccccc2NC(=O)Cc2ccccc2F)cc1 6261553 MPCPCPMGTIGMDP-UHFFFAOYSA-N 365.404 5.198 0 40 FKAB Cc1c(C(=O)Nc2nc(-c3ccccc3)cs2)oc2c(Cl)cccc12 6337968 SXBUUMIJEAKWME-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB Cc1cc2ncn(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2cc1C 6477902 BGGIWVVZGBURHW-LBPRGKRZSA-N 363.244 5.068 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(Br)cc2)c1 6965620 KTWLJJMZRWHVQC-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1C1CC1 7763498 SEDOCLKXNRZDAF-UHFFFAOYSA-N 365.886 5.426 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 8498297 HEHHSORUHXKYRM-LLVKDONJSA-N 372.679 5.670 0 40 FKAB Cc1ccsc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 12409993 ACNVDOBXWQDSRD-UHFFFAOYSA-N 367.286 5.197 0 40 FKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccc2ccccc12 13678523 JGWHZSPDEGLTQT-UHFFFAOYSA-N 366.269 5.089 0 40 FKAB Fc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2)cc1 16480085 KEAWWWJZUKNFFE-UHFFFAOYSA-N 371.455 5.848 0 40 FKAB CSc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 16598399 XKKGVIMIBVWLHS-UHFFFAOYSA-N 371.465 5.271 0 40 FKAB Cn1nc(-c2ccc(Cl)c(Cl)c2)cc1-c1ccc(Cl)c(Cl)c1 17076187 NUPBMGNVMYBIQZ-UHFFFAOYSA-N 372.082 6.368 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC(c1ccccc1)c1ccccc1 20460983 SDGAXYNCZRWQAC-QHCPKHFHSA-N 373.496 5.367 0 40 FKAB Cc1cccc(-n2nc(C)c3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1 20632896 COIFOHPGGVIEDU-MRXNPFEDSA-N 350.849 5.055 0 40 FKAB Cc1ccc(-c2csc3c(=O)n(Cc4cccc(Cl)c4)cnc23)cc1 38486732 PJLGARPRVLROJD-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB O=C(Nc1ccnn1C1CCCCC1)c1sc2ccccc2c1Cl 40159722 XVHMIYSKSWHDJU-UHFFFAOYSA-N 359.882 5.509 0 40 FKAB Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 52660275 FWKBRSXSUZNNEH-LSDHHAIUSA-N 364.411 5.000 0 40 FKAB Cc1ccccc1-c1noc(CNc2ccccc2N(C)c2ccccc2)n1 65575551 JBZOPDAKTLQQAP-UHFFFAOYSA-N 370.456 5.425 0 40 FKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@@H]2CCCC[C@H]21 72302737 NEBSQZKNAQPTKP-YCRPNKLZSA-N 352.453 5.046 0 40 FKAB C[C@H](Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1nc(C2CC2)no1 95953840 ZOHJHJKFHKAVPI-NSHDSACASA-N 374.271 6.094 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102882098 BGJLKHCVRLHFMM-VDQHWBOFSA-N 357.803 5.222 0 40 FKAB CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219649920 XGCCMJFEYMRVLL-KRWDZBQOSA-N 355.503 5.139 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1C 222795278 BDSUDTNAPIDKFD-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 224438109 RRNXKKCBXUPSQR-CYBMUJFWSA-N 366.288 5.831 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225499645 IVNPGFKJMZPVJW-SFHVURJKSA-N 364.461 5.047 0 40 FKAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1Cl 225576417 CVKSVUYXBHFUKF-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225624123 MONSYZKDXQTUOQ-QHCPKHFHSA-N 369.505 5.498 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CC2)cc1 225940680 BMZANGUFMAIFBG-UHFFFAOYSA-N 359.469 5.606 0 40 FKAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1C(F)(F)F 225956910 DVCWDTUHLOIFSS-UHFFFAOYSA-N 365.395 5.230 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(N)c1 226349192 IODKPCWAAFHREN-UHFFFAOYSA-N 358.800 5.190 0 40 FKAB CCSc1nc(SCC)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 1243061 RFNYGARXJBRXEM-LLVKDONJSA-N 354.566 5.013 0 40 FKAB CCOc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCCC5)oc12 1448119 FGRZTPCXTSBMHF-UHFFFAOYSA-N 360.409 5.484 0 40 FKAB biogenic CC1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1 1774689 CJQHAFULBDMHDZ-UHFFFAOYSA-N 359.517 5.831 0 40 FKAB CCCCCCC1(/C=C/c2ccc(Cl)cc2Cl)OCC(C)(C)CO1 1869788 AKMAQZLYBFHOIO-ZRDIBKRKSA-N 371.348 6.746 0 40 FKAB COc1ccc2c(-c3ccccc3)c(-c3ccccc3Cl)c(=O)oc2c1 2576887 URWLTRBQEIMVAZ-UHFFFAOYSA-N 362.812 5.789 0 40 FKAB biogenic O=Cc1cc(Cl)cc(Cl)c1OC(=O)c1ccc(Cl)c(Cl)c1 2581841 BNASMZRLKTWWGT-UHFFFAOYSA-N 364.011 5.332 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cc1 2908164 ZUKHPBJIEVREGD-SAPNQHFASA-N 370.496 5.626 0 40 FKAB CCc1sc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1C 3323205 MBWGFSRYJBLOSB-UHFFFAOYSA-N 362.926 5.515 0 40 FKAB aggregator OC1=N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Nc2ccccc21 4108228 GPYDVLWVRCDGGS-QGZVFWFLSA-N 359.212 5.682 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccn2)N3)C1 4109063 QUNLENYQBAYERC-SJCJKPOMSA-N 355.507 5.113 0 40 FKAB Cc1cccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1C 4621465 ATCXLJMFFPUWBY-UHFFFAOYSA-N 374.918 5.298 0 40 FKAB COc1ccc([C@@H](CCNCc2ccc3c(c2)OCO3)CCC(C)C)cc1 5478450 OWZNTDOGDXBKDM-HXUWFJFHSA-N 369.505 5.124 0 40 FKAB CCCCSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5556346 JGWYMVNITAJQKJ-UHFFFAOYSA-N 353.535 5.894 0 40 FKAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 5953260 KWJOVLNLCDZKBY-CJLVFECKSA-N 371.436 5.043 0 40 FKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(Cl)ccc2Cl)c1C 6111338 ZZNIIKAPGJVAME-UHFFFAOYSA-N 356.274 5.116 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 6249170 GYGCTVDNMJDJJA-UHFFFAOYSA-N 363.288 5.165 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 6440281 WHUFNRYPHVHGAF-CQSZACIVSA-N 353.849 6.366 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1OCC 6779023 FWVYHHBNSWSXTO-UHFFFAOYSA-N 361.869 5.397 0 40 FKAB COc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccc(F)cc1 6857427 XEAXLGDOXYVYPZ-UHFFFAOYSA-N 373.512 5.718 0 40 FKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccsc2)c1 8071279 PPKJAFRWVQXVQO-UHFFFAOYSA-N 357.862 5.683 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 8196580 DFZABMQYVBESHT-CQSZACIVSA-N 350.462 5.993 0 40 FKAB CC(C)Sc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 8558444 NQUIZTFYGDLTMT-UHFFFAOYSA-N 353.531 5.282 0 40 FKAB Fc1ccc(COc2cccc(CNCc3ccccc3Cl)c2)cc1 16449762 VMAPBFHUGQPXHK-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)c1 19881480 FBCIQDIAKRJRLY-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB Cc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)c(C)c1 19933143 SDAPHKFLRBWLOZ-UHFFFAOYSA-N 356.516 5.368 0 40 FKAB O[C@@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 20219108 JFKJXGRVBYQCDG-NRFANRHFSA-N 372.295 5.019 0 40 FKAB COc1ccc2cc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)ccc2c1 21934217 OJNSPZHMYLWGOG-UHFFFAOYSA-N 363.501 5.023 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1C(F)(F)F 28210982 KYQJTJYSUDLWKW-UHFFFAOYSA-N 367.676 5.630 0 40 FKAB CC1(C)C[C@H](NCCC2(Cc3ccc(Cl)cc3)CCCCC2)CCO1 32089581 ARKOTUGWNRCWDA-HXUWFJFHSA-N 363.973 5.770 0 40 FKAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1cccc(OC(F)F)c1 36390618 JYBDVYNJTGAAMR-SECBINFHSA-N 360.187 5.086 0 40 FKAB O=C(Cc1ccccc1Cl)Nc1nc(-c2cc3ccccc3o2)cs1 38845175 PNSXJOCJMHIDBQ-UHFFFAOYSA-N 368.845 5.391 0 40 FKAB c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3cccc4ccccc34)C[C@H]21 40486313 IARXYQAJFFFUPN-HSZRJFAPSA-N 368.480 6.044 0 40 FKAB Cc1cc2oc(C(=O)N3C[C@H](C)Oc4ccccc43)c(C)c2cc1Cl 41155842 QANMTUWMIWUYRT-LBPRGKRZSA-N 355.821 5.131 0 40 FKAB Cc1ccc(Sc2c3c4c(cccc4n2C)C(=O)c2ccccc2-3)cc1 78550151 KUROHGCAHKYLIZ-UHFFFAOYSA-N 355.462 5.849 0 40 FKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1Cl 215246174 OFLYOZDBLPUDTG-AQHRCUNFSA-N 373.836 5.272 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 222934859 CSZFYZSTRPWBSG-LAUBAEHRSA-N 353.506 5.327 0 40 FKAB CCCCCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224234608 JXIIVCKYTPUANA-UHFFFAOYSA-N 369.505 5.318 0 40 FKAB COC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCCCC1 225629809 LURVWDLCAFBJSS-UHFFFAOYSA-N 367.489 5.170 0 40 FKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC1CCCCC1 225754903 SUGDBXDWRRZJON-UHFFFAOYSA-N 352.522 5.609 0 40 FKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn12 1065879 JDFZGGNPIPWZAM-UHFFFAOYSA-N 373.765 5.736 0 40 FKAB CCCC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)C2CCCC2)cc1 1081971 NGALJTCRKDJLLR-QFIPXVFZSA-N 364.489 5.338 0 40 FKAB CCN(CC)CCCN[C@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 1708587 RQPAJRYWENSZNR-CQSZACIVSA-N 372.167 5.073 0 40 FKAB CC(C)(C(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1 1726773 MJKOVHMVOGRLLG-QFIPXVFZSA-N 358.437 5.494 0 40 FKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc1 2256649 WCVJMLTUCFIJRS-UHFFFAOYSA-N 368.415 5.028 0 40 FKAB O=C(Cc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21 2262109 WKQIWZWIIXDMRT-UHFFFAOYSA-N 367.473 6.212 0 40 FKAB Cc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1 2303381 YOTRWILQTVHJNU-UHFFFAOYSA-N 374.281 6.640 0 40 FKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)[C@@H](C)c1cccs1 2344907 IOHZRYDGQFPHSM-PXNSSMCTSA-N 367.514 5.781 0 40 FKAB Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(OC(F)(F)F)cc1 2561989 BOCRJWCRPHAAFK-UHFFFAOYSA-N 366.408 5.043 0 40 FKAB CCN(Cc1ccccc1)C1CCN(Cc2cccc3ccccc23)CC1 4553797 YVQHXFQAESMHRO-UHFFFAOYSA-N 358.529 5.326 0 40 FKAB Oc1cc(OCc2ccc(F)cc2)ccc1-c1n[nH]cc1-c1ccccc1 5151464 OZFIFAKIPCBWCV-UHFFFAOYSA-N 360.388 5.167 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(Br)ccc1Cl 5878457 DTPHEHDWZMBNFE-UHFFFAOYSA-N 352.659 5.226 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 6215605 WPJAUYPNELEVGM-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB CC(C)[C@H](C(=O)Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1 6830920 JSVACEBHKPAYKM-KRWDZBQOSA-N 371.893 5.237 0 40 FKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@H]21 6965712 LIVPYWYCZCUXDS-NJNPRVFISA-N 361.485 5.817 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1C 6966728 LFVJUJXWZNXQLJ-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1 8534238 YKVGKDBEVMCXNS-INIZCTEOSA-N 369.867 5.909 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)cc1 10978790 MPXAFUUUOITVIK-LBPRGKRZSA-N 372.515 5.070 0 40 FKAB Cc1c(CN[C@H](Cc2cccs2)c2nccs2)[nH]c2ccccc12 19565957 NWCZFAWNGDEDNT-QGZVFWFLSA-N 353.516 5.068 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 19690636 TZKIGUMEUSGJFT-QHCPKHFHSA-N 374.459 5.102 0 40 FKAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCCCCC1 29462493 QCUKRDUJCDIDTI-UHFFFAOYSA-N 364.420 5.164 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccccc1 32883767 CIMSUFFIPNONEQ-XMMPIXPASA-N 355.481 5.572 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 44847309 GFFKRSWLJKLRRB-AWEZNQCLSA-N 358.652 5.443 0 40 FKAB c1ccc(P2Cc3cccc4c3C3(CC4)CCc4cccc(c43)C2)cc1 72194403 VAPJMVSYFGSRTG-UHFFFAOYSA-N 354.433 5.686 0 40 FKAB O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccccc1 100970383 MRLHKEVFSTWSQY-AGYDLCDTSA-N 359.513 5.231 0 40 FKAB COc1ccc(C(=O)CCc2ccc(-c3ccccc3Cl)o2)cc1OC 199766746 DUBMSOYDQFIOGU-UHFFFAOYSA-N 370.832 5.433 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C 222695784 HATSDMZBIYOJBA-MRXNPFEDSA-N 361.938 5.707 0 40 FKAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1Cl 223133708 YUGAEKFOONPHLJ-HXUWFJFHSA-N 371.908 5.499 0 40 FKAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223256757 SYORVVNYIMVVJF-CYBMUJFWSA-N 362.300 5.292 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C(C)C 223266445 MQLZQMWESXZPHN-YCABEKBOSA-N 371.908 5.671 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223959675 NDNJUPJILPDHQH-PMACEKPBSA-N 369.505 5.045 0 40 FKAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c2ccccc12 225799039 CXYYNMRAWKRZOB-UHFFFAOYSA-N 357.494 5.264 0 40 FKAB CCCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225861223 CFXVLHKAQJZAFJ-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1cccc2ccccc12 226325196 MJROHRVRXSHIBW-UHFFFAOYSA-N 370.832 5.258 0 40 FKAB CCCOc1ccc(Br)cc1CNc1ccc(OCC)cc1 387346414 XFKAAWRGXZZXGV-UHFFFAOYSA-N 364.283 5.249 0 40 FKAB Cc1cc(CN[C@@H](C)c2cc(F)ccc2Oc2ccc(Cl)cc2)on1 1776004101 GFBAEMYXUKTWMT-ZDUSSCGKSA-N 360.816 5.419 0 40 FKAB C[C@H](NC(=O)c1cc2occc2s1)c1ccccc1Oc1ccccc1 1776005011 XFEVLTWBSINTBI-AWEZNQCLSA-N 363.438 5.778 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)sc2c1 865372 BQQHKIIUGHNHIZ-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(C)c(C)c1 877653 BQNSHKRARPTXNY-UHFFFAOYSA-N 351.475 5.027 0 40 FKAB Cc1cccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c1C 1064319 UAYSQJFVCBYQOC-CZUDEUJKSA-N 367.492 5.785 0 40 FKAB Cc1cccc(C)c1C(=O)c1ccccc1Cc1ccc2ccccc2c1 1656974 PLRGCPCTSLIKPM-UHFFFAOYSA-N 350.461 6.278 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1c(Cl)ccc2ccccc12 1706390 NNZXYEMCKNJDJY-NRFANRHFSA-N 361.957 6.209 0 40 FKAB CN1C(C)(C)C[C@H](CN2c3ccccc3Sc3ccccc32)C1(C)C 1726055 GNIWRJBESXYSHN-MRXNPFEDSA-N 352.547 5.798 0 40 FKAB C[C@@H]([C@@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C 1758884 AWQGSQRZGAHTHE-BXKMTCNYSA-N 371.480 5.034 0 40 FKAB Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c3c(c(=O)oc12)CCC3 2294237 AJOHYLPPFVZLDS-UHFFFAOYSA-N 366.416 6.157 0 40 FKAB CCCCOc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2299357 VJQCUCMYZKGKQQ-UHFFFAOYSA-N 355.507 5.421 0 40 FKAB CC(C)CC[C@@]1(CCN[C@@H](C)c2ccc(Cl)cc2)CCOC(C)(C)C1 2453803 CODQGSPQNINKTM-PGRDOPGGSA-N 365.989 6.392 0 40 FKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1Nc1ccccc1 3282150 GOFUBVZHENQEQP-UHFFFAOYSA-N 355.796 5.580 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 4153246 MVNIUGHSGACJKH-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cccc(Cl)c1 4176248 XIWYEZVVWZQMQD-UHFFFAOYSA-N 364.857 5.454 0 40 FKAB C[C@@H]1C[C@@](C)(C(=O)NCc2ccco2)[C@H](c2ccccc2)c2ccccc21 4852543 ALRCIZCYZVAYTB-CUHUQNRHSA-N 359.469 5.241 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4897674 QDDFACYMTXCMLZ-DHIUTWEWSA-N 355.497 5.223 0 40 FKAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1 5198879 ONUXYYWKWPSGHA-KSSFIOAISA-N 354.519 5.062 0 40 FKAB Cc1cccc(N2CN(c3cccc(C)c3)CN(c3cccc(C)c3)C2)c1 5331042 ZUTNVFFVZUJAER-UHFFFAOYSA-N 357.501 5.318 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccc(Cl)cc2s1 6254100 ZEXZNYPGQZHYLL-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(C2CCCCC2)cc1 6315938 GIVMJHAMWOQRQO-UHFFFAOYSA-N 365.498 5.688 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 6507242 DSXSXESLOFEXDT-JTQLQIEISA-N 358.652 5.361 0 40 FKAB CC(C)Oc1ccc(/C=C/C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6828109 YRDBMRYKRPEUAK-RJKXTTTNSA-N 367.533 5.208 0 40 FKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cc2ccccc2o1 10120063 MTCMHCDUOKFLIW-UHFFFAOYSA-N 368.392 5.417 0 40 FKAB Cc1noc([C@H](C)Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 12535704 TYGGHMQGXCKOMI-ZDUSSCGKSA-N 362.458 5.288 0 40 FKAB COc1ccc(-c2csc(/C=C/c3ccc(-n4ccnc4)cc3)n2)cc1 12810615 OZIPGICLAAEEPF-NYYWCZLTSA-N 359.454 5.175 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCSc2c(F)cccc21 12937433 RDWJNEFKMFHYBM-OAHLLOKOSA-N 370.276 5.028 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1CCc1ccccc1 13688269 LYISRKJTRXTHOM-UHFFFAOYSA-N 365.860 5.386 0 40 FKAB C[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 16963711 IHQZPPFHGIQFMM-UZUQRXQVSA-N 361.510 5.416 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 20411174 KLMZZMINYSPFFU-UHFFFAOYSA-N 374.415 6.010 0 40 FKAB CCOc1ccc(-c2cc(C(=O)Oc3ccc(C(C)C)cc3)no2)cc1 20896783 VRBJZBRHUDULJY-UHFFFAOYSA-N 351.402 5.083 0 40 FKAB Cc1ccc(F)c(NC(=O)c2ccccc2SCc2cscn2)c1 23180172 MOQRGRQGEZRCNC-UHFFFAOYSA-N 358.463 5.135 0 40 FKAB Cc1ccc(OCC(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 27662249 JXGSKERGORMQIJ-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCCCCC3)o2)cc1 28047642 UYTWUMHAVCZHKR-UHFFFAOYSA-N 355.478 5.172 0 40 FKAB CCOc1ccc(Nc2c(-c3cccc(O)c3)nc3cc(C)ccn23)cc1 35616393 JWBARDJXDWHYRA-UHFFFAOYSA-N 359.429 5.158 0 40 FKAB Cc1ccc(-c2ccncc2)cc1NC(=O)CCn1ccc2ccccc21 58310478 DZBAISICFVXKRG-UHFFFAOYSA-N 355.441 5.041 0 40 FKAB c1ccc(C2=NN(c3ccccc3)[C@@]3(SCc4ccccc43)S2)cc1 59449272 NOFAXPLASHSIMA-NRFANRHFSA-N 360.507 5.659 0 40 FKAB C[C@H](c1ccccc1F)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CC1 108222371 DOIGADAICXISQQ-CYBMUJFWSA-N 371.843 5.255 0 40 FKAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccc1 118914815 GUFISKMWHBUYOH-FRSFAZTNSA-N 352.562 6.307 0 40 FKAB Cc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 216304348 YEYWLJDRYPKZRS-QHCPKHFHSA-N 357.497 5.812 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C 216489076 DMKAVYBEGITTHA-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1Cl 225080097 SFFMVRCQTKOFHK-OAQYLSRUSA-N 366.844 5.390 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(C)c(C)c1 225870631 YMEDNLBSQQKWPC-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(c5ccccc5)=CC[C@@]43C)[C@H]1CC[C@@H]2O 253617102 DVFACKFNDPANLI-AMFVFTMOSA-N 350.546 6.084 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 408628833 CQERFIMWGLGXFE-IBGZPJMESA-N 370.496 5.985 0 40 FKAB COc1cc2c(cc1C)-c1[nH]c(=Nc3ccccc3Cl)sc1CC2 408889109 DRKAISJFVSMBCE-UHFFFAOYSA-N 356.878 5.045 0 40 FKAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)o1 997259 KHYLELTTYBOQPP-MRXNPFEDSA-N 356.425 5.294 0 40 FKAB CSc1nc(Sc2ccc(Cl)cc2Cl)c2sccc2n1 1394047 RJVMZQWXUNUOEQ-UHFFFAOYSA-N 359.328 5.871 0 40 FKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cccc(F)c3)c1-2 1783018 IABPBBQICODREL-UZYVYHOESA-N 356.491 5.817 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1 2741527 UUFBRSCMOZSJLH-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 3018171 VDWLTMZCRXJDFF-UHFFFAOYSA-N 360.844 5.074 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3F)nc2c1 3043485 YCEWFVSKRJEXPY-UHFFFAOYSA-N 364.351 5.334 0 40 FKAB Cc1ccc(OP(=O)(Nc2cccc(F)c2)Oc2ccc(C)cc2)cc1 3123392 QNBPFACNOAELHG-UHFFFAOYSA-N 371.348 6.121 0 40 FKAB CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(F)c1)c1ccccc1 3340507 SDEQKBVIHDZIKV-NRFANRHFSA-N 364.420 5.016 0 40 FKAB Cc1ccc(F)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 3459978 MAAGIMYZWYQCET-UHFFFAOYSA-N 356.224 5.239 0 40 FKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1 4341957 BBFGNWWTJHPYKI-UHFFFAOYSA-N 364.445 5.232 0 40 FKAB CCCCN(CCCC)CCCCCCCCCCCN1CCCCC1 4428723 SVQYBODWDLTCBE-UHFFFAOYSA-N 366.678 6.885 0 40 FKAB Fc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3ccccc3)[C@H]1CO2 4592717 FOPDPYXTMDLFGK-HTAPYJJXSA-N 361.441 5.802 0 40 FKAB O=C(N[C@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 5444975 BSOSXWKGDYXGEQ-CYBMUJFWSA-N 363.071 5.181 0 40 FKAB O=Cc1cccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c1 6602306 JMRVPOYQNXKCGF-UHFFFAOYSA-N 350.374 5.102 0 40 FKAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1 8986423 LECWUIJOFZKPSG-FDDCHVKYSA-N 356.469 5.274 0 40 FKAB CC(C)c1ccc(CC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 10096045 ISLDBVJRPGRSBS-UHFFFAOYSA-N 362.498 5.213 0 40 FKAB Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2F)s1 10201933 POZRQCKXGHHULI-UHFFFAOYSA-N 368.477 5.472 0 40 FKAB Cc1occc1-c1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)o1 12697986 LFIHNYCLQIGASA-UHFFFAOYSA-N 373.821 5.239 0 40 FKAB CC(C)[C@H](NCc1noc(-c2ccccc2Cl)n1)c1ccc(F)cc1 12777642 LDRDENZIZZBTNS-SFHVURJKSA-N 359.832 5.016 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccc(C(C)=O)s1)oc1ccccc12 13002755 DTRPONBBYUTTRP-UHFFFAOYSA-N 365.410 5.111 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 13689107 PGLGHURYEUFGPC-CYBMUJFWSA-N 359.347 5.265 0 40 FKAB CCCCCc1cc(C)c(CCCCCCCCCCCCC(=O)O)o1 14592865 JXBLMIJDQFTVIE-UHFFFAOYSA-N 364.570 7.239 0 40 FKAB biogenic,in-vitro CN(C(=O)c1ccc(F)cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835526 VDQKEDIWFKDQRJ-HXUWFJFHSA-N 364.445 5.230 0 40 FKAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2cccc3ccccc23)o1 15881533 CNUYJSDZCYJBSR-UHFFFAOYSA-N 367.452 6.016 0 40 FKAB Fc1ccccc1CCNCc1ccc(OCc2ccc(Cl)cc2)cc1 16449540 LRTXFRVEXPRLGE-UHFFFAOYSA-N 369.867 5.390 0 40 FKAB CCc1ccccc1-n1nc(-c2ccccc2F)cc1-c1ccccc1F 17074211 FDIUXINCQHPKCP-UHFFFAOYSA-N 360.407 6.047 0 40 FKAB CC[C@H](C)Nc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17268805 JAYIMURMQQMCJB-INIZCTEOSA-N 372.476 5.078 0 40 FKAB COc1cccc(NCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 19737880 XXPFHQCGXKHFAN-UHFFFAOYSA-N 355.522 5.781 0 40 FKAB Cc1ccc(C(=O)N[C@@H]2Sc3ccccc3N=C2c2cccs2)cc1 19927745 VWNLIJFFKICUBK-HXUWFJFHSA-N 364.495 5.039 0 40 FKAB CC(C)C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 20043850 HJXVHNYRIAYXNV-QFIPXVFZSA-N 350.506 5.194 0 40 FKAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220375 ZPKWYPBQGAAYHP-IBGZPJMESA-N 370.924 5.314 0 40 FKAB C[C@H]1CCCCN1c1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 28287202 JKHUYBIPRACYAE-INIZCTEOSA-N 370.456 5.331 0 40 FKAB Cc1cccc(C(=O)CN(C2=NCCCS2)c2ccccc2Cl)c1C 28527711 RPHVKJZPSCXJGV-UHFFFAOYSA-N 372.921 5.139 0 40 FKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 35671908 XQBLCJMUTTXNRQ-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB C[C@H](c1cc2ccccc2o1)N(C)C(=S)Nc1ccc(F)c(Cl)c1 40059544 UXAIIUOKMVUECP-LLVKDONJSA-N 362.857 5.615 0 40 FKAB Cc1cccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2Cl)c1 57776541 UGSIWCHFTJNSKP-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB FC(F)(F)c1ccccc1Nc1nc(-c2ccccc2)c2ccccc2n1 58047210 LAOHFCCCNGDGKD-UHFFFAOYSA-N 365.358 6.059 0 40 FKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1C1CCCC1 59094278 YYNXCJGSWAYFIN-UHFFFAOYSA-N 350.487 5.112 0 40 FKAB CC(C)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 65740816 XVRWOQYVIKKJGV-RBRWEJTLSA-N 356.506 5.206 0 40 FKAB in-vitro CCSc1ccccc1C(=O)NCc1sc(-c2cccs2)nc1C 90592731 VCNBFTOXSPZZEA-UHFFFAOYSA-N 374.556 5.222 0 40 FKAB O=C(N1CCS[C@H](c2ccccc2)CC1)C1(c2cccs2)CCCC1 208041390 IPMLZQBXURKTLV-SFHVURJKSA-N 371.571 5.267 0 40 FKAB COc1ccc(C(=O)NC2CCCCCC2)cc1CSc1ccccc1 224321575 RDVDZZMGTJTYMV-UHFFFAOYSA-N 369.530 5.440 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 224787227 VVGPEJILCBASRR-SFTDATJTSA-N 369.505 5.045 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)C(C)C 225761121 IEYVPRJAGWVHTG-QGZVFWFLSA-N 366.452 5.698 0 40 FKAB Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Br 321314794 MWFSXUOAVQVQOK-UHFFFAOYSA-N 370.246 5.559 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 409001123 URUJXNBIEKSOJH-AJJBFUBHSA-N 369.464 5.835 0 40 FKAB CCc1ccccc1NCc1ccccc1OCc1ccccc1Cl 409111345 IIEPYKHZFHDFRN-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2051886 DAZDIPWEOVWEHP-UHFFFAOYSA-N 355.787 5.909 0 40 FKAB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2Sc2ccccc2)cc1 2179705 UBYXAVYOWVEGAZ-PGMHBOJBSA-N 370.477 5.531 0 40 FKAB COc1ccc(NC(=O)C[C@@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 2223702 LBOKGQJVZUJMEY-OAQYLSRUSA-N 355.478 5.251 0 40 FKAB CC(C)C(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2337761 GFULCVJYSQNBFS-UHFFFAOYSA-N 364.832 5.896 0 40 FKAB O=S(=O)(c1ccccc1)c1ccc2c(c1)Sc1ccc(Cl)cc1N2 3198559 MIMMADBXTWLHDN-UHFFFAOYSA-N 373.886 5.381 0 40 FKAB CC(=O)O[C@H](c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 3204281 ICULVDWQVWOLNU-RUZDIDTESA-N 356.465 5.223 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc2ncsc2c1 4032384 TZGQRQFPPZQXLY-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB O=c1oc(C(c2ccccc2)c2ccccc2)nc2sc3c(c12)CCCC3 4070962 AKGZDAXGCYUJHM-UHFFFAOYSA-N 373.477 5.309 0 40 FKAB COc1ccc(-c2c(C)c3ccc(OCC=C(C)C)cc3oc2=O)cc1 4340094 GTVWYMNJVLSYMF-UHFFFAOYSA-N 350.414 5.122 0 40 FKAB biogenic Cc1cc(OCC(=O)NC2CCCCCCCCCCC2)ccc1Cl 4599444 QBBCHDTUQPHWSQ-UHFFFAOYSA-N 365.945 5.817 0 40 FKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccco1 4793822 WDRUXMWBQABAFO-UHFFFAOYSA-N 359.497 5.695 0 40 FKAB aggregator Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc23)cc1 5021861 CZVOTEOQBWBUDI-UHFFFAOYSA-N 353.425 5.166 0 40 FKAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1cccc2ccccc12 5505934 FIPPTCDPLWOYJU-UHFFFAOYSA-N 367.404 5.757 0 40 FKAB Cc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)oc2c(Cl)cccc12 5974358 JQVIQEKDGQDOEI-UHFFFAOYSA-N 371.908 5.731 0 40 FKAB CCc1cccc(C)c1NC(=O)CSCc1c(F)cccc1Cl 7094345 DHVIRZFMGPPQBW-UHFFFAOYSA-N 351.874 5.222 0 40 FKAB CCc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 7808100 MZTRFESPGJZRFR-UHFFFAOYSA-N 368.436 5.823 0 40 FKAB Nc1cc(-c2ccc(Cl)cc2)sc1-c1nnc2n1CCCCCC2 8877957 HVNRIBBSTQMEKT-UHFFFAOYSA-N 358.898 5.026 0 40 FKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(Cl)cc2Cl)c1 10542298 JRSBJTIAEOWTNC-UHFFFAOYSA-N 366.288 5.143 0 40 FKAB Cc1cc(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc12 12635770 UOQZQHPAGZLNOO-UHFFFAOYSA-N 369.489 6.185 0 40 FKAB CC(C)Oc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 13717043 RDAWEGSUHJZIQL-UHFFFAOYSA-N 359.469 5.635 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(N2CCCCC2)cc1 14402000 PZUGAYSTBHWPAT-UHFFFAOYSA-N 372.468 5.722 0 40 FKAB Cc1nc(Oc2ccc3c(c2)OCO3)c2c(-c3cccs3)csc2n1 15205296 STCQCGLOKRFSGR-UHFFFAOYSA-N 368.439 5.249 0 40 FKAB COc1cccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)c1 27664011 AWOOVXYNTQSRDZ-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB O=C(CSCc1c(F)cccc1Cl)Nc1cccc2ccccc12 33705778 TWRMLZZKUBBLIB-UHFFFAOYSA-N 359.853 5.504 0 40 FKAB Cc1sc(Cl)cc1C(=O)CCCC(=O)c1cc(Cl)sc1C 34649941 YRYNFVOSQUJGMT-UHFFFAOYSA-N 361.315 5.969 0 40 FKAB Cc1ccc(-c2nn3c(NCCC4=CCCCC4)cc(C)nc3c2C)cc1 40216937 WCJKFPUAFRBHAN-UHFFFAOYSA-N 360.505 5.624 0 40 FKAB COc1c(C(C)C)cc(NCc2cc3ccccc3[nH]c2=O)cc1C(C)C 57709890 FJPWUXBKZXCUKM-UHFFFAOYSA-N 364.489 5.396 0 40 FKAB CCc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1 59501082 GMUGSTUAWJOENF-VZCXRCSSSA-N 352.528 5.932 0 40 FKAB Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(Cl)c1 71760878 LIAUYYAIUMZOCD-UHFFFAOYSA-N 364.751 5.187 0 40 FKAB F[C@H]1CCCCCCCCCC[C@@]12NCC1(O2)C2CC3CC(C2)CC1C3 98174875 DKTLWAYPDODIDS-SWISWOKGSA-N 363.561 5.750 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 100016922 QMVCEBOCNCJYHR-DDTVBTAGSA-N 361.485 5.387 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222968299 UFRZBAASZZYXGV-MSOLQXFVSA-N 365.517 5.334 0 40 FKAB Cc1ccc(C)c(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1 224004998 PGALWRGZWHOQKQ-UHFFFAOYSA-N 359.425 5.012 0 40 FKAB CCc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1 225503826 XFDGURPIIQBYPY-QFIPXVFZSA-N 360.526 5.633 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225803547 RFRKTVYGTWDEEF-HXOBKFHXSA-N 371.521 5.941 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)c2ccccc12 225805971 ZLKRGHQBRJYFJF-MRXNPFEDSA-N 355.478 5.305 0 40 FKAB Clc1cc(Cl)c2oc(C(c3ccccc3)c3ccccc3)nc2c1 226236574 JDHBTFUWEQIASE-UHFFFAOYSA-N 354.236 6.315 0 40 FKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)c1ccccc1 245239241 GUFISKMWHBUYOH-MXUGABARSA-N 352.562 6.307 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C1=O 409014093 FAFXVZDNFYJTES-UQVNSJMISA-N 356.491 5.447 0 40 FKAB O=C(COCc1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361287 WTGALFJBRRFMAV-UHFFFAOYSA-N 362.269 5.124 0 40 FKAB CCc1ccc(NC(=O)CSc2cc(Br)ccc2C)cc1 938549 MUAQFBJLGQSHNW-UHFFFAOYSA-N 364.308 5.051 0 40 FKAB Cn1nc(-c2ccccc2)c(-c2nnc(-c3ccc(Cl)cc3)o2)c1Cl 1389105 DQAUFBNWYIWUDM-UHFFFAOYSA-N 371.227 5.111 0 40 FKAB O[C@@H](CSc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21 1439907 NCDVLMVKQWXSDF-MRXNPFEDSA-N 367.901 5.601 0 40 FKAB CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCC(=O)O 1706698 MFVSFXSONJGHBA-UHFFFAOYSA-N 351.490 5.864 0 40 FKAB CCCc1ccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1787232 OPCABJJYXSUYCZ-UHFFFAOYSA-N 365.395 5.456 0 40 FKAB COc1ccc2c(C)c(-c3cc(=O)oc4cc(C)c(Cl)cc34)oc2c1 2433761 QGTCKQUEYCXTNI-UHFFFAOYSA-N 354.789 5.485 0 40 FKAB biogenic Cc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1C 2628770 HFEHOQFNVVSKCQ-UHFFFAOYSA-N 361.470 5.089 0 40 FKAB Cc1ccc(NC(=O)[C@@H](Sc2nc3ccccc3o2)c2ccccc2)cc1 3347587 IQHDLYRZNZIKLO-FQEVSTJZSA-N 374.465 5.608 0 40 FKAB c1ccc(-c2nc(NCc3cccnc3)c3oc4ccccc4c3n2)cc1 4080132 FRBYEGJZPFGBKQ-UHFFFAOYSA-N 352.397 5.050 0 40 FKAB O=C(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 4362649 NGNPHNWIFLLNLJ-VWPQPMDRSA-N 353.893 5.442 0 40 FKAB CCCCCCC1CCC(c2noc(-c3ccc(OC)c(OC)c3)n2)CC1 4662649 KEFRKVIJFLKHLM-UHFFFAOYSA-N 372.509 5.998 0 40 FKAB C[C@@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc2C1 5165448 BZMWWNKSRKUREO-CQSZACIVSA-N 364.470 5.313 0 40 FKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)c1 6241144 KAIUSLMCWBCBQD-HNNXBMFYSA-N 370.518 5.116 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 6396948 BWVBHVZCXXBUFE-INIZCTEOSA-N 368.477 5.245 0 40 FKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7790895 VMXZNQQSLDFPKY-CQSZACIVSA-N 360.486 5.615 0 40 FKAB Cc1cc(-c2ccccc2)n2ncc(-c3ccc(Br)cc3)c2n1 8569776 ZOYSGCOQZZZVAF-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 10113054 SDCVBWJUQDXNDW-GOSISDBHSA-N 364.533 5.465 0 40 FKAB O=C(CCCc1cccs1)N[C@H](c1ccc(F)cc1)c1cccs1 10288972 CLPARAMNSSKMAN-LJQANCHMSA-N 359.491 5.177 0 40 FKAB CCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 13030768 UJNWZAVPMJONRE-UHFFFAOYSA-N 364.533 6.493 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 16162944 IXCWSKCDFWBHJA-UHFFFAOYSA-N 365.383 5.737 0 40 FKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Oc2ccccc2)cc1 20064328 NEOQYNMLAAXPEQ-MRXNPFEDSA-N 361.416 5.600 0 40 FKAB CCCCN1Cc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2C1 58309017 VFGHIJGWCCQYTQ-UHFFFAOYSA-N 367.880 5.189 0 40 FKAB Cc1ccc(S[C@H]2CCC(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 65090583 MNUVCKIYHWDZHX-UPVQGACJSA-N 373.521 6.024 0 40 FKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4CCC[C@@]4(C)[C@@H]3CC[C@]12C 71775097 VOYKELMCSUDIBK-CJOPVKFFSA-N 368.649 8.050 0 40 FKAB CC(C)(C)Sc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72217417 HZEWTWFXPMUDHK-GOSISDBHSA-N 370.518 5.446 0 40 FKAB Cc1cc(C)c2oc(-c3cccc4c(Br)cccc34)nc2c1 73639147 JGIFVIOOOVBOLJ-UHFFFAOYSA-N 352.231 6.027 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 199720265 NCJVZSBFQQAAQO-UHFFFAOYSA-N 352.356 5.482 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 225870160 GOIHFERTKRETLR-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12 226296456 FNVLLNYFDBSCLM-VWLOTQADSA-N 350.417 6.335 0 40 FKAB CC(C)Cn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 409100782 WQVSNDSUZJVDRE-UHFFFAOYSA-N 373.525 6.047 0 40 FKAB O=C(CCC1CCCC1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358875 HLYIRYYZEIODFD-UHFFFAOYSA-N 369.508 7.310 0 40 FKAB COc1ccc2nc(C)cc(SCC(=O)c3ccc(Cl)cc3)c2c1 887580 GIMNRCFTCPXADP-UHFFFAOYSA-N 357.862 5.180 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(Cl)c1 940062 XQNYVCIQBBFCNH-UHFFFAOYSA-N 370.235 5.477 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 987802 ZHNNAPDAVLRFQP-UHFFFAOYSA-N 355.850 5.530 0 40 FKAB CCCc1nc(N(CC)CC)c2sc(=S)n(-c3ccccc3)c2n1 1444440 KKJMBPPZZISWDZ-UHFFFAOYSA-N 358.536 5.010 0 40 FKAB CCOc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(CC)cc23)cc1 1892357 GPSZCYMUHFLDEL-WNAAXNPUSA-N 369.464 6.293 0 40 FKAB CCN(CC)C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2043273 FOPPHWOMVMHHTN-DEOSSOPVSA-N 359.513 5.048 0 40 FKAB O=C(Nc1ccccc1)C(Cl)(Cl)SNc1cccc(Cl)c1 2161159 NMTLHKJBRGMYPT-UHFFFAOYSA-N 361.681 5.170 0 40 FKAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1csc(-c2ccccc2)n1 2346717 PHORKWSFGJERPM-UHFFFAOYSA-N 374.248 5.890 0 40 FKAB COc1ccc(CNc2nc(-c3ccc(C)cc3)cc(C(F)F)n2)cc1 2460221 MMAVVYXQGILRCC-UHFFFAOYSA-N 355.388 5.010 0 40 FKAB CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2cccc(Cl)c2)S1 3103352 VTFAEEQYISFIHI-UHFFFAOYSA-N 359.882 5.260 0 40 FKAB COc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)c(OC)c1 3338454 RDNHIICAJFMQPZ-UHFFFAOYSA-N 357.413 5.058 0 40 FKAB CCCCCc1c(-c2ccccc2)c(=O)oc2cc(OC(C)=O)ccc12 3900801 KOBBXBHGRNQKQL-UHFFFAOYSA-N 350.414 5.118 0 40 FKAB biogenic CC1=C(C)[C@@H](N(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C1=O 4662851 JLSWQRFCNBNTKS-XMMPIXPASA-N 368.480 5.530 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2c[nH]c3ccccc23)nc2cnccn12 4733486 DDZQNLDCWPTVKM-UHFFFAOYSA-N 367.456 5.492 0 40 FKAB COc1cc2nc(/C=C/c3cn(C)c4ccccc34)sc2cc1SC 4867658 ZWJMSYJBCZRLAM-CMDGGOBGSA-N 366.511 5.689 0 40 FKAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4910668 JKHVIHXYNHNPMM-CQSZACIVSA-N 373.880 5.236 0 40 FKAB COCCNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523570 FEYAVZAJJQUKLU-UHFFFAOYSA-N 357.415 5.245 0 40 FKAB COc1cccc(Nc2nc(-c3cccs3)nc3sc(C)c(C)c23)c1 5689591 KMPZJBGLTYUGOX-UHFFFAOYSA-N 367.499 5.789 0 40 FKAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 6652105 DVISFRJQJFTZQH-CQSZACIVSA-N 357.375 5.279 0 40 FKAB Fc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)c(Cl)cc1Cl 7847060 GBRVHNNPGIIZLD-UHFFFAOYSA-N 368.238 7.015 0 40 FKAB CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCC 8253905 ARKUVZJTDKLPMO-UHFFFAOYSA-N 354.277 5.081 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 8335584 CYKFCGMPWBKQNP-UHFFFAOYSA-N 353.409 5.194 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)[nH]2)cc1 9199343 YTHCFBKNIVGJAN-UHFFFAOYSA-N 357.910 5.715 0 40 FKAB O=C(CCCc1cccs1)N[C@@H](c1ccc(F)cc1)c1cccs1 10288965 CLPARAMNSSKMAN-IBGZPJMESA-N 359.491 5.177 0 40 FKAB O=C(COC(=O)C1(c2ccccc2)CCCC1)c1ccc2ccccc2c1 12588216 PWROBOMHEGBCLT-UHFFFAOYSA-N 358.437 5.078 0 40 FKAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl 12676617 KTYUYCLBYJNXIG-SJKOYZFVSA-N 363.288 5.061 0 40 FKAB C[C@H]1CC(C)(C)N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 16608512 BPKUBHAACZQSOA-ZDUSSCGKSA-N 362.395 6.030 0 40 FKAB Clc1ccccc1COc1ccc2ccccc2c1CNC1CCCC1 22074239 MMSIKDLZSGOIRK-UHFFFAOYSA-N 365.904 6.104 0 40 FKAB CC(C)c1noc(COC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 22750669 FXSNRHDRZVNUAU-UHFFFAOYSA-N 371.245 5.072 0 40 FKAB Cc1noc(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1Cl 30060977 HKDJJCHPEFALNX-UHFFFAOYSA-N 370.836 5.308 0 40 FKAB COc1ccc([C@@H]2CCCN2Cc2ccc(OCc3ccccn3)cc2)cc1 48313266 NCWAUFQDAHEXCW-DEOSSOPVSA-N 374.484 5.006 0 40 FKAB Cc1ccc(NC(=O)N2CCCCC[C@H]2C[C@@H](O)c2cccs2)s1 79046253 JNPQMBLJHKQJOB-LSDHHAIUSA-N 364.536 5.018 0 40 FKAB CC(=O)Nc1c(C)cc(NCc2ccc(-c3cccc(F)c3C)o2)cc1C 80374119 WEDGLBNDWBYKLP-UHFFFAOYSA-N 366.436 5.581 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCC=C[C@]4(C)[C@H]3CC[C@@]21C 118922846 MRKRQGONFROXPO-VANMJNHGSA-N 370.665 8.274 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)NC1CCCCCCC1 222721999 TVHKAVYAUWYHDE-UHFFFAOYSA-N 360.350 5.456 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc2ccccc2c1 222780711 YMZUKEGLQNHMDE-KRWDZBQOSA-N 361.485 5.221 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222922472 NFKADRBPJGMLCD-QFIPXVFZSA-N 367.533 6.123 0 40 FKAB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc2c(c1)CCCC2 223017704 OPLGGRCGVIRYKU-QFIPXVFZSA-N 367.558 5.375 0 40 FKAB CC(C)c1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225595880 IHGHUBGHEZMBIV-UHFFFAOYSA-N 358.576 5.420 0 40 FKAB COc1cc(C)c(C(=O)NCCSCc2ccc(C)cc2)cc1C(C)C 225656666 OQGHTQJFCPSMKX-UHFFFAOYSA-N 371.546 5.099 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2cccc3ccccc23)cc1 409114831 LKMYNZFGYTYGSU-UHFFFAOYSA-N 367.492 6.593 0 40 FKAB Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(Cl)cc1 976505 DTWKUOMKRNQTNT-UHFFFAOYSA-N 369.829 5.251 0 40 FKAB O=C(c1cccs1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 1236022 MBIDDUUZOZSLPT-POAQFYNOSA-N 359.922 5.503 0 40 FKAB CCCC[C@@](O)(Cc1ccccc1)c1ccc(OCCN(CC)CC)cc1 2043919 OAVGLAGXOWRQPK-XMMPIXPASA-N 369.549 5.028 0 40 FKAB C[C@@H](NCC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 2134469 SFBCUWBQBAYOEK-HYBUGGRVSA-N 351.534 5.545 0 40 FKAB biogenic Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 2374423 MLOCLKHUASWXQA-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(Oc2ccccc2)c1 2632928 KHCINLUSKOUOOV-UHFFFAOYSA-N 373.496 6.978 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2734328 WQYFCKSWYJSZRR-SFHVURJKSA-N 360.501 5.848 0 40 FKAB COc1ccccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 3140191 WGGKBDMBDKGNLG-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB CCN(c1ccccc1)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 3342746 GBMUCIHLQPIRBL-HSZRJFAPSA-N 358.485 5.510 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 3441127 XVRKXHMEJRFBCA-DEOSSOPVSA-N 355.481 5.402 0 40 FKAB O=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 3896093 BBAMTOWFQNMORA-PSVMIJIFSA-N 352.437 5.520 0 40 FKAB COc1ccc(COc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 4340620 YHDCHLZJESKDDV-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic CC(C)c1ccc(/C=C/C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 4554769 DGDCFEHGLXXBTJ-XNTDXEJSSA-N 362.517 5.448 0 40 FKAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C(C)C)cc1 4679280 FGEUGQFIJZWJBX-UHFFFAOYSA-N 367.468 5.071 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Nc1ccccc1)c1ccccc1 7222355 SKYFDAAXIUIMHQ-IBGZPJMESA-N 370.374 5.497 0 40 FKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)cc1 8996428 DUJGQPMWBIMXHC-UHFFFAOYSA-N 368.436 5.671 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 10331330 CJTXCRRSUUSZSW-UHFFFAOYSA-N 350.289 5.862 0 40 FKAB Oc1ccccc1-c1nc(/C=C/c2cccs2)nc(-c2ccccc2)n1 12408780 FIDYBXRQLVDVKK-OUKQBFOZSA-N 357.438 5.143 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccccc1Cl 12912505 ZUMCCSWWSXXNBP-SNVBAGLBSA-N 362.907 5.324 0 40 FKAB CCOC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cc(Cl)ccc2n1 15829153 HACNVPLKGMTTEG-UHFFFAOYSA-N 368.864 5.932 0 40 FKAB CC(=O)c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2)s1 16321889 KSONDPWQLAMOBB-UHFFFAOYSA-N 369.489 7.088 0 40 FKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 17086063 JGMLVNJJJKURTE-VXJOIVPMSA-N 367.301 5.034 0 40 FKAB C[C@H]1CN(c2nc3ccccc3cc2-c2ccc(Cl)cc2)C[C@H](C)O1 20405273 YMPXXDXDSQETEC-GJZGRUSLSA-N 352.865 5.169 0 40 FKAB Fc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1Cl 22107512 VBFHAIKUTULQRP-UHFFFAOYSA-N 368.839 5.553 0 40 FKAB Cc1cccc(NC(=O)CSC(=O)c2ccc(Cl)cc2Cl)c1C 26891889 PWWISRIJZUYYPR-UHFFFAOYSA-N 368.285 5.122 0 40 FKAB CCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c2cccnc12 32622601 NBHTWNMNYDKAAX-UHFFFAOYSA-N 364.376 5.080 0 40 FKAB Cc1c(Br)cc(-c2nc3ccccc3o2)cc1Br 57331871 VMMMGYNZQDRCEP-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB CCCC[C@H](CC)CNC(=O)N1c2ccccc2Sc2ccccc21 59244666 WUOGRXLJYPHJPG-INIZCTEOSA-N 354.519 6.215 0 40 FKAB COc1ccccc1N(C)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 63596300 UTBDOHGGDOHLDG-UHFFFAOYSA-N 366.486 5.021 0 40 FKAB Cc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccccc4)s3)cc2c1 67339671 CLURBWBKPCZDNQ-CSKARUKUSA-N 374.465 5.440 0 40 FKAB Cc1nc(NCCc2csc(C)n2)c2c(-c3ccccc3)csc2n1 69773154 CVSQTQRMSROMOG-UHFFFAOYSA-N 366.515 5.086 0 40 FKAB CC[C@@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 100705394 HCVTXESBLPDBRY-ANJVHQHFSA-N 370.496 5.915 0 40 FKAB CC[C@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)CCCC2 223024950 LUIIBAXEGDSBOY-IBGZPJMESA-N 372.306 5.209 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Cc2cc(C)ccc2C)cc1C(C)C 223340550 DKMKKFNZBQTQJS-SFHVURJKSA-N 353.506 5.164 0 40 FKAB CCCCOCc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OCC 224725514 DZMNYDCTOHAWFL-UHFFFAOYSA-N 369.505 5.525 0 40 FKAB CC(C)(Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1 225819604 ZERJOTMRHGZRSO-UHFFFAOYSA-N 359.469 5.017 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3cccc(F)c3)CCCC2)c1 225855389 IDMSXYPTXPVVRF-UHFFFAOYSA-N 356.510 5.366 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2cccnc12 225859631 RHLNORDVPHRJSF-UHFFFAOYSA-N 374.484 5.474 0 40 FKAB O=C(/C=C/c1cccs1)Nc1ncc(Cc2ccc(Cl)cc2)s1 945450 QJHGCTFYKYQGEN-BQYQJAHWSA-N 360.891 5.101 0 40 FKAB Cc1cccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)c1 952819 ZAXQFUNCTVQZNA-UHFFFAOYSA-N 354.457 5.415 0 40 FKAB Clc1ccc(CSCc2ccc(Cl)cc2Cl)c(Cl)c1 1718620 OSXGEIHFRWKWMQ-UHFFFAOYSA-N 352.113 6.734 0 40 FKAB in-vitro CC(=O)c1cccc(NC(=O)Oc2ccc(-c3ccccc3)cc2Cl)c1 1741633 MNQMRUBNAMNIMT-UHFFFAOYSA-N 365.816 5.821 0 40 FKAB Cc1nc(SCCOc2ccccc2)c2c3c(sc2n1)CCCC3 1801626 QXHCQPRNUKTMRJ-UHFFFAOYSA-N 356.516 5.050 0 40 FKAB Clc1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1 1896081 MOKSPMZQZULXPE-UHFFFAOYSA-N 360.848 5.639 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1cccc(Br)c1 2516759 WAZXRZVOMNGRFV-UHFFFAOYSA-N 368.068 5.027 0 40 FKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1cccc(OCc2ccccc2)c1 3215111 VNSOOMKOHNWZMK-UDWIEESQSA-N 361.828 5.412 0 40 FKAB CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 3263600 KBNXMACSQSBXGH-UHFFFAOYSA-N 356.516 5.325 0 40 FKAB CCc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 3327576 KQVJLWZMLDVQTK-STQMWFEESA-N 366.288 5.201 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)c3ccccc3Cl)o2)cc1 3341733 YODDEGMAROPJGV-CQSZACIVSA-N 368.816 5.721 0 40 FKAB CCN1c2ccccc2C(Cl)(c2ccc(N(C)C)cc2)c2ccccc21 4522512 MMADRDLIYQPCQG-UHFFFAOYSA-N 362.904 5.755 0 40 FKAB Cc1ccc(-c2nc(CSc3nc(-c4ccccc4)n[nH]3)cs2)cc1 6178733 ZUARLHJTOSOTPO-UHFFFAOYSA-N 364.499 5.196 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)cc1Cl 6243469 AQKUMAHBEGHYJA-ZDUSSCGKSA-N 360.910 5.289 0 40 FKAB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1C 6301248 SMEOVOCNRQVUCD-PKNBQFBNSA-N 365.860 6.177 0 40 FKAB CCC(=O)c1cn(CCCOc2ccc(Cl)c(C)c2)c2ccccc12 6348990 KSZYWTLBEDRYJF-UHFFFAOYSA-N 355.865 5.665 0 40 FKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)Oc1ccccc1 6359456 UZILRBAZSASPFR-CQSZACIVSA-N 373.909 5.384 0 40 FKAB Brc1ccc2c(c1)CCN1C(c3ccccc3)=CSC1=N2 6927309 YAAOQRIUPRIGQB-UHFFFAOYSA-N 357.276 5.040 0 40 FKAB CCOCc1c(C(=O)Nc2cc(C)c(Cl)cc2OC)oc2ccccc12 8342661 AVAQBYQMVIXTOH-UHFFFAOYSA-N 373.836 5.192 0 40 FKAB O=C(c1cccc(Oc2ccccc2)c1)N(c1ccccn1)C1CCCCC1 12311728 KSBQLKYZELHSLD-UHFFFAOYSA-N 372.468 5.853 0 40 FKAB Cc1cc(C)cc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c1 18100467 NXNYJRGLJXXUIN-UIJGJVKASA-N 352.305 5.098 0 40 FKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 18143398 BWESOJDUGFHHBI-UHFFFAOYSA-N 372.424 5.037 0 40 FKAB Cc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)cc1 19817313 DSFQAVADFOLDFK-MRXNPFEDSA-N 373.481 5.012 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)CCCOc1ccccc1)c1ccccc1 20493689 DSOWPACCSDARKZ-DEOSSOPVSA-N 359.469 5.060 0 40 FKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1c(Cl)cccc1Cl 22237501 QEQTZTAEDPDMJQ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 40104685 IVQUTNWERJXPQL-UHFFFAOYSA-N 367.493 5.115 0 40 FKAB O=C(Nc1cccc2cnccc12)N(Cc1ccc(Cl)cc1)C1CC1 58429518 VMYCAEGSMKFHIX-UHFFFAOYSA-N 351.837 5.085 0 40 FKAB CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 59399394 GIXLYHJGTQZGJB-UHFFFAOYSA-N 368.820 5.201 0 40 FKAB CC(C)CCCCCCCO[PH](=O)OCCCCCCCC(C)C 150472660 SUFSNBISTUVXHE-UHFFFAOYSA-N 362.535 7.403 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1Cl 216299379 USWKLPPERZNZOQ-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(C)cc1 216323943 CFKLYTADYZFHNV-LJQANCHMSA-N 361.938 5.268 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 216373996 SOTYUYKPNPMVCA-INIZCTEOSA-N 354.302 5.181 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(N(C)C)c(Br)c3)nc2c1 216879494 OKBXPSYIBZLOMU-UHFFFAOYSA-N 359.267 5.447 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219592058 QOAACHAXWQFXCR-NRFANRHFSA-N 353.462 5.113 0 40 FKAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccc(-c2ccccc2)cc1 223088374 ZRCGQRBBCNBGTD-UHFFFAOYSA-N 357.388 5.135 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2SC)c2ccccc2O1 223579899 VBUCBGLLFSINKC-QGZVFWFLSA-N 355.503 5.221 0 40 FKAB CCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225868956 FYUSTKPVQJVNFT-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB CCN(CC)c1ccc(-c2nc3ccccc3s2)cc1Br 226332188 RTNVJGCFMSCZBQ-UHFFFAOYSA-N 361.308 5.572 0 40 FKAB CO[C@@H](C)C(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl 253613843 OOFAMTSIPWSZND-JTQLQIEISA-N 373.663 5.178 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 408629016 HZHGPDBAKUNESR-HNNXBMFYSA-N 374.937 5.450 0 40 FKAB COc1ccc(-c2csc(N(CC(C)C)C(=O)c3cccs3)n2)cc1 929196 XIHOLQLOBNNISC-UHFFFAOYSA-N 372.515 5.183 0 40 FKAB O=C1CCSc2ccc(Cl)cc2N1Cc1ccc(Cl)c(Cl)c1 1392663 JHSVTUVKFDFHFH-UHFFFAOYSA-N 372.704 5.676 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(C)c1 1852255 YYDLRPVSQUONMH-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB CN(c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)C1CCCCC1 1904962 LBBMUMXYQMLEMQ-UHFFFAOYSA-N 373.544 6.363 0 40 FKAB Cc1ccc(N(C(=O)c2ccccc2Cl)C2=N[C@@H](C)CS2)c(C)c1 3239632 NYNBLRRTNDWGBS-AWEZNQCLSA-N 358.894 5.095 0 40 FKAB FC(F)(F)c1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 3252980 SBYSZZTWXWAERS-UHFFFAOYSA-N 370.783 5.701 0 40 FKAB O=C(CSCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 3315033 ZIPPANQOWBVCQJ-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccc(OC(C)C)cc2)(C(C)C)CCO1 4073333 BVXZKVGVMFJFAV-XZOQPEGZSA-N 361.570 5.575 0 40 FKAB biogenic c1ccc(C2=NN(c3ccccc3)[C@]3(Nc4ccccc4S3)S2)cc1 4499162 VJNVEAFWPSYUCY-FQEVSTJZSA-N 361.495 5.431 0 40 FKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 4545495 AGIVSABCAYSXSN-DJJJIMSYSA-N 368.546 5.989 0 40 FKAB CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 4679584 VQBMTRXOQAOAIL-UKTHLTGXSA-N 365.863 5.140 0 40 FKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971301 XXDNMBNMXVCJHX-GJZGRUSLSA-N 370.493 5.293 0 40 FKAB Cc1cc(C)cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 5687606 MJMLVMHCVHJKMH-UHFFFAOYSA-N 374.509 5.935 0 40 FKAB COc1ccc(OC)c(/N=c2\cc(-c3cccs3)oc3ccccc23)c1 6755319 FUWDSSUNFDAHNZ-CJLVFECKSA-N 363.438 5.411 0 40 FKAB Cc1cc(C(F)(F)F)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 7604636 DJJQWMWMQJSFMC-UHFFFAOYSA-N 367.374 5.314 0 40 FKAB COc1cc2c(cc1NC(=O)c1cc3c(s1)CCC3)oc1ccccc12 7971179 PVQZPTYGJHVCSW-UHFFFAOYSA-N 363.438 5.397 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)c4ccccc4)cc3)sc2c1 17076335 XRDNCPRHFIPNER-INIZCTEOSA-N 372.493 6.014 0 40 FKAB Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1Cl 19891168 UNELVYOYRSBBBN-UHFFFAOYSA-N 364.767 5.021 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 20458921 CDAOJLGWQASDGR-FIOICXDGSA-N 361.441 5.096 0 40 FKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CCCC2)cc1 22074237 GAAXQRAATIAIFQ-UHFFFAOYSA-N 365.904 6.104 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 30855119 JHXDFOVGGREDHI-AWEZNQCLSA-N 363.910 5.098 0 40 FKAB CC1=C(C)[C@@H](C)[C@@]2(C)N(c3ccc(Br)cc3)N=N[C@]2(C)[C@H]1C 45070111 AEIGMGYOVQMLSX-MJSCVDMRSA-N 362.315 5.776 0 40 FKAB Cc1ccc(/N=c2/ssc3c2-c2cc(C)cc(C)c2NC3(C)C)cc1 100113324 LPUVKPOQABYNJM-LSDHQDQOSA-N 366.555 6.295 0 40 FKAB Cc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)c1 101217217 DEUMKACKPKWMTA-RBBKRZOGSA-N 373.887 6.144 0 40 FKAB CCCCCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 101415210 HUSVJMJTRILLKY-ZHZULCJRSA-N 367.420 5.129 0 40 FKAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 107656180 BBYBJQXGMVYGRA-UHFFFAOYSA-N 372.896 5.371 0 40 FKAB S=C(NCc1ccccc1Cl)Nc1ccc(Oc2ccccc2)nc1 223936083 WSHBZKRHEAEPLJ-UHFFFAOYSA-N 369.877 5.014 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(Br)c2)c(C)c1 225475568 YGWUSTVZDNGEPM-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB COc1ccccc1NC(=O)Nc1ccc(CSc2ccccc2)cc1 225766026 JNBBCBRPCRBWMF-UHFFFAOYSA-N 364.470 5.632 0 40 FKAB CCCOc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 408585459 FCFPHKPHBAMTAM-UHFFFAOYSA-N 374.436 5.182 0 40 FKAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 408623348 SVSMUFNVXQRUDT-UHFFFAOYSA-N 366.848 5.340 0 40 FKAB CCOc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1 409119433 SLRGVFZJIRKSSA-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CC[C@@H](C(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 575362637 PHTNQZJYPPHCKJ-CYBMUJFWSA-N 371.196 5.844 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1C 670553 ZZKQTIIBVNNVTH-UHFFFAOYSA-N 358.485 5.535 0 40 FKAB C[C@@H]1C[C@@H](N(C(=O)c2cccc(F)c2)c2ccccc2)c2ccccc2N1 752664 BAQGXIWPKJJZLA-OPAMFIHVSA-N 360.432 5.418 0 40 FKAB COc1ccc2c(c1)-c1c(sn(-c3ccccc3C)c1=S)C(C)(C)N2 826610 HNFPKOFZHMKTTE-UHFFFAOYSA-N 368.527 5.913 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3Br)c2)cs1 1514876 ATAKMSRYKWDLTJ-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Clc1c(SCc2ccccc2)ncnc1SCc1ccccc1 1676003 NLEZHNVZIWFZIG-UHFFFAOYSA-N 358.919 5.715 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)C1(c2ccccc2)CCCC1 2512668 FAGHWAHJRMHJOY-UHFFFAOYSA-N 357.453 5.929 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 2517194 MGLTXZXDLOFNOW-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB c1ccc(-n2c(SCc3cccc4ccccc34)nnc2C2CC2)cc1 2623653 GPWAISXEBVOOHX-UHFFFAOYSA-N 357.482 5.590 0 40 FKAB Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1C 2733777 RKGSCONCNICBBQ-UHFFFAOYSA-N 363.411 5.950 0 40 FKAB Clc1cccc(Cl)c1COn1c(-c2ccccc2)nc2ccccc21 3052812 VZXWOARPDCCVIT-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 3059450 MZSCTLHKDZMUHZ-KBPBESRZSA-N 368.912 5.149 0 40 FKAB Cc1ccc(C)c(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 3657326 POUOTCXJWMDGRF-UHFFFAOYSA-N 356.494 6.838 0 40 FKAB CC(=O)CCc1cc2c(cc1N=Nc1ccccc1C(=O)O)CC[C@@H](C)N2 3844793 JZTCOJKNZPNJHD-CYBMUJFWSA-N 365.433 5.068 0 40 FKAB biogenic Cc1nn(C(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1[C@H]1[C@@H](C2)C1(C)C 4029479 DPHIZSSZIKDKFW-VQIMIIECSA-N 368.908 5.293 0 40 FKAB biogenic CCc1ccc2nc(Nc3nc4ccc(NC(C)=O)cc4s3)sc2c1 4137701 QUMIKRFWXRHQNB-UHFFFAOYSA-N 368.487 5.170 0 40 FKAB C1=C2[C@@H]3CCCC[C@@H]3O[C@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]2CCC1 4587595 VGZDMJBYELSMKA-FQUZAXHOSA-N 360.521 5.379 0 40 FKAB Cc1ccc(CN([C@H]2CCCc3ccccc32)[C@H]2CCCc3ccccc32)o1 4699257 VPUJLPIELIOCGW-UIOOFZCWSA-N 371.524 6.545 0 40 FKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCc2ccccc21 5034778 JCLJAYXNDLWKOR-UHFFFAOYSA-N 354.409 5.088 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 5383818 GMIVNNTYXGLUNX-AWNIVKPZSA-N 358.279 5.399 0 40 FKAB CC(=O)NCC[C@H]1[C@H](c2c(C)n(Cc3ccccc3)c3ccccc23)C1(C)C 5484728 RHNGAHSUYWFDQN-XUZZJYLKSA-N 374.528 5.264 0 40 FKAB Cc1ccccc1C(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccccc1 6720011 XNBBDWGZFXGVGN-UHFFFAOYSA-N 369.420 5.329 0 40 FKAB Cc1cccc(CSCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1 6822740 GTQJQPHZOKINFT-VAWYXSNFSA-N 374.509 5.432 0 40 FKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C)CC2)cc1Cl 6882063 LLPBDEIMDZMMBR-FQEVSTJZSA-N 356.897 5.060 0 40 FKAB CCCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7261251 ZPRFLWZCGMHMFK-UHFFFAOYSA-N 353.915 5.269 0 40 FKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1)C(C)(C)N2 13475767 UKKPQABZMYCBGJ-VZCXRCSSSA-N 368.527 5.768 0 40 FKAB CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)cc1 13669180 XWEUREJQZPRIRZ-UHFFFAOYSA-N 356.469 5.230 0 40 FKAB CCCCc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13789512 RVEFJRNOTRJAIZ-UHFFFAOYSA-N 352.425 5.857 0 40 FKAB Cc1ccc(SCc2cc(O)n3nc(C)c(-c4ccccc4)c3n2)cc1 18222466 BGDHWIBPXGHSFX-UHFFFAOYSA-N 361.470 5.011 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 20105420 LCIDOYAOKJOCTG-MHZGPWMTSA-N 363.501 5.082 0 40 FKAB CCCOc1cc2ccc(-c3ccc(OC)c(OC)c3)c(O)c2cc1OC 20595447 SPCGYPUNAUZXGZ-UHFFFAOYSA-N 368.429 5.027 0 40 FKAB Fc1ccccc1CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 22076828 SHAXNHHQOBLLPJ-UHFFFAOYSA-N 364.247 5.725 0 40 FKAB CCC(C)(C)C1CCC(NC(=O)Cc2csc(-c3ccco3)n2)CC1 26042445 JGHLGNCSHUAGJK-UHFFFAOYSA-N 360.523 5.057 0 40 FKAB Cc1ccc2oc(-c3ccc4nc(-n5nc(C)cc5C)sc4c3)nc2c1 40542373 DTPSXDJIWGFGMD-UHFFFAOYSA-N 360.442 5.215 0 40 FKAB Cc1c(OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCCC3 55392726 SFHSGPOXXDQMNB-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(Cl)cc2)S1 85411986 KNIPONITDAFRPK-INIZCTEOSA-N 361.898 5.221 0 40 FKAB COCCCCC(=O)N(c1cc(C)ccc1F)[C@H](C)c1ccc(C)cc1 97163204 KCULWEQATQQJKT-GOSISDBHSA-N 357.469 5.353 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4C[C@H]5CC[C@H]4C5)cc3)sc2c1 102611637 UVHJYUXCTGXORP-QILLFSRXSA-N 362.498 5.646 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 222917647 ZLICVCXNTJGHBQ-SFHVURJKSA-N 363.860 5.573 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C(C)C 223376852 YORLRAHSWJJNSI-HNNXBMFYSA-N 359.897 5.200 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 225503050 LTVQWTVSMVRSHV-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C(F)(F)F 225957150 WOFSFOOGBJLHRA-UHFFFAOYSA-N 365.395 5.409 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226303003 MXTPIJOHHULEDR-UHFFFAOYSA-N 351.412 5.070 0 40 FKAB CCc1sc(=Nc2ccccc2)[nH]c1-c1ccc(Br)cc1 408579633 IWKWXEHIRLFMGV-UHFFFAOYSA-N 359.292 5.301 0 40 FKAB CC[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 575361345 YCMYVZNMNBMLGI-HNNXBMFYSA-N 360.297 6.101 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1775977750 WEDWPBJTDFKLRL-CHWSQXEVSA-N 363.269 5.345 0 40 FKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4)c3)nc2c1 844005 PUHXFRMTUWXFFI-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB CCO[P@@](=O)(/C=C(\Cl)c1ccccc1)[C@H](O)c1ccc(F)cc1 1243290 RLQQPABUYWLQBH-MWUGDXRPSA-N 354.745 5.369 0 40 FKAB C(=C/C(SCc1ccccc1)SCc1ccccc1)\c1ccccc1 1636941 CNHUOVMDLVOTFW-WUKNDPDISA-N 362.563 6.893 0 40 FKAB CCCCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1C 2274211 BFOJUGHRZVNHQS-UHFFFAOYSA-N 350.462 5.939 0 40 FKAB CC(C)(C)C(=O)N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 3103709 NSXPYEPMMBWCEO-CQSZACIVSA-N 373.711 5.110 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc(Cl)ccc1Cl 4472822 RKHSGNUYNWUMSW-UHFFFAOYSA-N 356.278 5.145 0 40 FKAB CCCCC/C=C\C/C=C/CCCCCCCC1=N[C@@](CC)(CO)CO1 4683549 XAJXPLMBNBLPIW-ISDYTNFASA-N 363.586 6.370 0 40 FKAB Cc1nc2ccc(NC(=O)c3ccc4oc5ccccc5c4c3)cc2nc1C 4698365 KNZIHZBDUKBYMD-UHFFFAOYSA-N 367.408 5.398 0 40 FKAB Cc1cccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)c1 4769969 CNXMUTLWIJOSKL-BUHFOSPRSA-N 356.400 5.004 0 40 FKAB CCOc1ccc(CNCC[C@@H](CCC(C)C)c2ccco2)cc1OC 5244543 RKRQXBFYMCWNDK-LJQANCHMSA-N 359.510 5.387 0 40 FKAB C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)C12CC3CC(CC(C3)C1)C2 6086774 UYHAPKNBZVVSKN-SIGOSDGXSA-N 374.480 6.139 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 6231773 SLEGQIMYAHDDRH-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB CCC(=O)c1ccc(OC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6309387 WLVDCAAWGKUGRK-UHFFFAOYSA-N 374.436 5.386 0 40 FKAB FC(F)(F)c1ccc(NC(=S)SCc2ccc3c(c2)OCO3)cc1 6512283 LUHMTCMXITUGBS-UHFFFAOYSA-N 371.405 5.064 0 40 FKAB Clc1ccc(C2=NC(c3ccccc3Cl)=NSC2)cc1Cl 6863743 CYJXKRDWNZHEKZ-UHFFFAOYSA-N 355.677 5.545 0 40 FKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2F)o1 10213217 PYXIDMGGLWFNHI-UHFFFAOYSA-N 367.405 5.131 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3c(C)noc3n2)s1 10641807 WIZJRGWSGQTQBX-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12560171 UIPPYAQJNDISIQ-GOSISDBHSA-N 365.521 5.239 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(Cl)c1 12746806 WIFDIDUOYPDUTK-UHFFFAOYSA-N 367.792 5.005 0 40 FKAB Cc1c([C@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc2n1C 13942395 FFHVYJKWTMYQQI-HSZRJFAPSA-N 358.485 5.365 0 40 FKAB CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(C)cc1 14091967 KWODWMZZJRCPKZ-UHFFFAOYSA-N 357.910 5.143 0 40 FKAB Cc1ccsc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 14132140 FMHZFBAVXPZVRZ-WOJGMQOQSA-N 365.479 5.446 0 40 FKAB O=C(Nc1cccc(Cl)c1)N(c1ccccc1)c1cccc(Cl)c1 16487916 VMVBJGPNGXQQGW-UHFFFAOYSA-N 357.240 6.364 0 40 FKAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccccc3Cl)c2C)cc1 17314540 GXMKOMDPFYHXLZ-INIZCTEOSA-N 367.924 5.361 0 40 FKAB CCCCCCOc1ccccc1CNc1cccc(O[C@@H](C)CC)c1 19737560 ZZMUHTHQUKMTDG-IBGZPJMESA-N 355.522 6.435 0 40 FKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1 20367869 JUJIXGHHQKSUHP-HXUWFJFHSA-N 359.404 5.386 0 40 FKAB COc1cc2c(cc1NC(=O)CCc1cccs1)oc1ccccc12 23132113 XVKWUVWHBKOMLX-UHFFFAOYSA-N 351.427 5.227 0 40 FKAB c1csc([C@H]2Nc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 26456158 NJSHLRGCECJNPJ-YADHBBJMSA-N 357.482 5.301 0 40 FKAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F 26905729 ANBFTGXAJIYVGG-HXUWFJFHSA-N 369.386 5.419 0 40 FKAB Cc1nn(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1Cl 32611501 RKYZKIZXQLXAQN-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB CC(C)(C)OC(=O)NCc1cc(-c2ccc(-c3ccc(F)cc3)cc2)no1 35287576 ROGGQEFKECSLJU-UHFFFAOYSA-N 368.408 5.172 0 40 FKAB in-vitro CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 38771899 TUCQCEVXJSNYGK-GOSISDBHSA-N 368.521 5.058 0 40 FKAB C[C@H]1CCCCN1C(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127542 GGSNJHLGUQGCCC-ZDUSSCGKSA-N 354.837 5.163 0 40 FKAB O=C(O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCC3)[nH]2)cc1 49036233 OENIXTHWZWFYIV-UHFFFAOYSA-N 374.484 5.293 0 40 FKAB in-vitro C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 67259761 WZLQMGVUSFSBIG-UHFFFAOYSA-N 370.477 5.321 0 40 FKAB CN(c1ccccc1)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214227 ALOGKLOEWUJDOH-IBGZPJMESA-N 367.493 5.312 0 40 FKAB O=C(CCSc1ccccc1)N(CCc1cccs1)Cc1ccoc1 90612356 CISFYTSBBACCEB-UHFFFAOYSA-N 371.527 5.095 0 40 FKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 102741456 KCFQFDAEQSMTFC-IRXDYDNUSA-N 356.506 5.040 0 40 FKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216889879 UHGFZSMCTQVVCO-UXBLZVDNSA-N 351.229 5.149 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1C(C)C 223330579 VZIBCLUOTOLFLU-KRWDZBQOSA-N 369.505 5.405 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C 224096230 KIMVSNFYYJOIDE-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CCC1(CC)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2O1 225462197 QIEAUOCQBIUCRQ-KRWDZBQOSA-N 374.937 5.709 0 40 FKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225605583 OVQRCIMQAPLRJZ-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCC[C@H](C)C1 225810232 GWDCAOKPOUTWSZ-SBUREZEXSA-N 369.505 5.408 0 40 FKAB C[C@@H]1C[C@@H]2C=C3CCCC3=C[C@@H]2[C@@H]1CC[C@H]1[C@@H]2C=CC=C[C@@H]2[C@@H]2C=CC=C[C@@H]12 299888732 VMDNXVUDKRENNP-XHYWUVPXSA-N 370.580 7.052 0 40 FKAB Cc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3cccs3)[C@H]1CO2 688069 PSPPFAHPWJTIJI-YCRPNKLZSA-N 363.507 6.033 0 40 FKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1-n1c(C)ccc1C 707045 XTIBZUFVMNVLMK-UHFFFAOYSA-N 355.459 5.008 0 40 FKAB Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(Cl)c3Cl)sc2n1 888460 MYHSAFOAAUNHFJ-UHFFFAOYSA-N 366.273 5.054 0 40 FKAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(N2C[C@H](C)C[C@@H](C)C2)c1C 1340803 TWNBQWREYBVWAX-ZIAGYGMSSA-N 368.912 5.149 0 40 FKAB S=C(Nc1ccccc1)N1C[C@H](c2ccccc2)C[C@@H]1c1ccccc1 3846231 MVFHGMJMPOTYGN-IFMALSPDSA-N 358.510 5.614 0 40 FKAB biogenic CCCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 4103658 NLAKGBCJHAFVHY-UHFFFAOYSA-N 356.853 5.894 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(F)cc2)o1 5013884 RDXWPLVWFYHALR-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB c1ccc(-c2nc(SCc3nc4ccccc4[nH]3)nc3ccccc23)cc1 6414269 IJACSXPBCXTQST-UHFFFAOYSA-N 368.465 5.465 0 40 FKAB Brc1ccc(Cn2ccc3cc(Br)ccc32)cc1 6756551 NPKYWERIVMSCRP-UHFFFAOYSA-N 365.068 5.215 0 40 FKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccccc1F 6961651 DACLPTNSYGIFPD-UHFFFAOYSA-N 369.411 5.555 0 40 FKAB Cc1ccc([C@@H]2N(c3ccccc3Oc3ccccc3)C(=O)C2(F)F)cc1 6995443 KRSKBIHEXFXCBO-FQEVSTJZSA-N 365.379 5.511 0 40 FKAB CCC[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 7003020 MKNACGOTWMNWRG-QFIPXVFZSA-N 351.469 5.259 0 40 FKAB FC(F)(F)c1cc(-c2ccncc2)nc2cc(-c3ccc(Cl)cc3)nn12 9925817 BURBPTQWTBAQQS-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB Cc1ccc([C@H](N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 10351493 DRELNXFERBLPRW-QRWLVFNGSA-N 356.897 5.025 0 40 FKAB Cc1ccnc(N[C@H](c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)c1 13060124 NFJXZWXCLRCTGM-JOCHJYFZSA-N 361.876 6.035 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1cccs1 14704921 ZWEWXPUNQCSNDS-CYBMUJFWSA-N 357.862 5.475 0 40 FKAB CC(C)[C@H](C(=O)Nc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 15325408 NVKNRWDXMJBDPS-HNNXBMFYSA-N 350.915 5.472 0 40 FKAB CC[C@H]1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 16636769 XQSQDBVMWSUAHZ-KSFXKBOHSA-N 352.501 6.307 0 40 FKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 17086085 PGFPAFMZDWVGTN-SGTLLEGYSA-N 354.519 5.025 0 40 FKAB CSc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1 19879393 BULDSMXGVHSVEQ-JOCHJYFZSA-N 359.498 5.795 0 40 FKAB CCCCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 20411968 FPTGYEDNTSCTDT-UHFFFAOYSA-N 368.433 5.031 0 40 FKAB O[C@H](CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 22076571 NUXHNZQHOOGUTO-GOSISDBHSA-N 362.256 5.077 0 40 FKAB O=C(CCN1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1Cl 22199316 BYYSHIMOMKDGCU-HNNXBMFYSA-N 369.317 5.221 0 40 FKAB Cc1ccc(Cn2cnc3c(-c4cccc(Cl)c4)csc3c2=O)cc1 23126539 PWGDSVCIOGRCAK-UHFFFAOYSA-N 366.873 5.135 0 40 FKAB COc1ccccc1C(=O)N(Cc1cccs1)c1ccc(C)c(C)c1 27740169 ZIJRMFQDZLQOMR-UHFFFAOYSA-N 351.471 5.221 0 40 FKAB CSc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)cc1 32966512 VWEDJHWTAZSKJW-UHFFFAOYSA-N 353.512 5.409 0 40 FKAB CCOc1ccccc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 33533515 WBFVGJNHPLGIHZ-SQFISAMPSA-N 353.443 5.100 0 40 FKAB COc1cc(C)c(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1C(C)C 57710022 RZRZBFZOUUUNJW-UHFFFAOYSA-N 364.489 5.197 0 40 FKAB CCOc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1OCC 58901392 JQMUXBDZTIXHOP-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1C1CCCC1 67259442 XWWFBGPFYPUVOH-UHFFFAOYSA-N 372.440 5.082 0 40 FKAB CC(C)C[C@H](C)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 70039617 OQIPZDHWFUDGHP-JTQLQIEISA-N 355.322 5.231 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118932261 OEECLXWCHUIMAU-ZNLQTOPESA-N 374.565 5.222 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1C(C)C 223268880 BMYGDGJDMCQYML-SJORKVTESA-N 371.546 5.485 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(C)cc2)cc1C(C)C 223309929 UBMJMCDAVVJNCD-SFHVURJKSA-N 353.506 5.245 0 40 FKAB O=C(NCC1CCCCC1)c1ccc(OCCSc2ccccc2)cc1 224381997 KTBUOYFVNUKMHM-UHFFFAOYSA-N 369.530 5.168 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COC(C)C 224716920 RDMFXKIPNGYWKZ-UHFFFAOYSA-N 365.832 5.055 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224976175 JRUUROFPFPFOMM-UHFFFAOYSA-N 372.512 5.377 0 40 FKAB Cc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2N)cc1 225178998 JDBYCVJZHAGNAS-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C)n1 225862230 PTHIAWFVTUNEBU-UHFFFAOYSA-N 370.468 5.159 0 40 FKAB Cc1nc(CSc2ncnc3scc(-c4ccccc4)c23)cs1 630511 CYYAJPNXJIFTSQ-UHFFFAOYSA-N 355.513 5.416 0 40 FKAB COc1ccc(Cl)cc1Nc1nc(-c2cccnc2)nc2ccccc12 947591 GSLYXRWVTLBGFZ-UHFFFAOYSA-N 362.820 5.097 0 40 FKAB CC(C)(CCC(C)(C)N1O[C@@H]1c1ccccc1)N1O[C@H]1c1ccccc1 1652613 ZVYPDPQJQPXXNB-TUUBTQOTSA-N 352.478 5.216 0 40 FKAB c1ccc(CSc2nc(SCc3ccccc3)c3ccccc3n2)cc1 2052225 XSQNNFJGLIQDHA-UHFFFAOYSA-N 374.534 6.214 0 40 FKAB CCCCCCN(CCCCCC)C(=O)c1cc2ccccc2c(=O)o1 2085491 HRRNPDSPFFXZPW-UHFFFAOYSA-N 357.494 5.396 0 40 FKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CCCC1 2105642 VBJIPAKFEYSABL-UHFFFAOYSA-N 364.876 5.536 0 40 FKAB CC(C)CCn1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 2405594 XLABKTBOAONOJG-UHFFFAOYSA-N 350.853 5.346 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@@H]3CC[C@]12C 4292909 CPCJRYTXAKLNNM-JSXDIISVSA-N 358.522 5.086 0 40 FKAB CC(C)(C)/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 5034187 CUZUBNDOWGAOGO-OQKWZONESA-N 353.465 7.082 0 40 FKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1[C@H](C)c1ccccc1 5530573 WGUGWKZAAWBQOW-CQSZACIVSA-N 372.295 5.664 0 40 FKAB CC(C)(C)C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 6091471 SQQHLOVFXKSRKA-UHFFFAOYSA-N 366.895 5.312 0 40 FKAB c1ccc2c(c1)sc1nnc(SCC34CC5CC(CC(C5)C3)C4)n12 6347101 NZKIPCONVCVAMW-UHFFFAOYSA-N 355.532 5.253 0 40 FKAB Cc1nnc(SCCOc2ccc(C(C)(C)C)cc2)n1C1CCCCC1 6479863 UAKZOZKWKLYMAG-UHFFFAOYSA-N 373.566 5.560 0 40 FKAB Clc1ccc(-c2n[nH]c(SCc3nc4ccccc4s3)n2)cc1 6647527 NHOSGBLBBIHXLA-UHFFFAOYSA-N 358.879 5.027 0 40 FKAB COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 6882507 UWSBXUBUEWHHON-UHFFFAOYSA-N 368.304 5.469 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 7294630 IEMTUXSSGCXFQF-JTQLQIEISA-N 356.274 5.121 0 40 FKAB CCCOc1ccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 7781334 BBZJKLOPGZMCCV-FYWRMAATSA-N 364.466 5.823 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 8335539 WWGSFNQQQUOKRN-UHFFFAOYSA-N 363.844 5.440 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 12462835 PDYASRQCSWRHDB-RCCFBDPRSA-N 362.473 5.012 0 40 FKAB CC1CCC(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 12808481 PJQXYRVEVSCEGJ-SJJHQCBESA-N 356.535 5.265 0 40 FKAB Cc1ccccc1-c1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)o1 13843338 ZWLVBZAREXCUBW-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNC2CC2)c(Cl)c1 16384975 MCPKJYYRQQIEJB-UHFFFAOYSA-N 356.680 5.478 0 40 FKAB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc2n1 20018399 KGCQROHQWLXFNH-NRFANRHFSA-N 358.466 5.124 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 22250865 KYCXZVPMAJPOHT-UHFFFAOYSA-N 368.569 5.918 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 22531114 ANYVIXQULMILHI-HNNXBMFYSA-N 356.897 5.133 0 40 FKAB Fc1ccc(-c2cc3c(SCc4ccccc4Cl)nccn3n2)cc1 23126581 FMZSGJDDRVYMOI-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cs1 23135753 CGEALSXQHLAXBQ-UHFFFAOYSA-N 362.376 5.390 0 40 FKAB Fc1ccc(-c2nn(-c3ccccc3)cc2Cc2nc3ccccc3[nH]2)cc1 27987136 SVIBKKSFDRECJW-UHFFFAOYSA-N 368.415 5.146 0 40 FKAB Cc1ccccc1COC(=O)c1ccc(COc2cccc(Cl)c2)o1 28562118 GGABAHCMFGVVBJ-UHFFFAOYSA-N 356.805 5.177 0 40 FKAB CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@H](C)CC(=O)O)[C@H](C)CC[C@@]12C 31157833 QSEIUMVWJJWZJP-NEFXFJPUSA-N 364.526 5.219 0 40 FKAB biogenic,in-vitro Cc1nnc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)s1 32117665 KVZXGSATXCSCSK-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB CCc1ccc(-c2cc(C(F)(F)F)nc(Nc3ncc(C)s3)n2)cc1 36613796 WWPDJOOGJWHDBD-UHFFFAOYSA-N 364.396 5.233 0 40 FKAB c1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 36624788 VKOWNSAQOQYERQ-RTWAWAEBSA-N 374.534 5.892 0 40 FKAB CCCCCOc1ccc(OC(=O)[C@H]2CC[C@H](CCCCC)CC2)cc1 100003785 NWXQRUYEAUDZIV-BGYRXZFFSA-N 360.538 6.548 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 118934160 FEGCPHIPSRBREU-NWFSOSCSSA-N 374.565 5.283 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C(C)C)cc1 219316215 KFYKGQKDKKUHQE-NRFANRHFSA-N 353.506 5.025 0 40 FKAB Cc1ccc(C)c(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 224329870 DFPLGULYLFHTDB-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB Cc1ccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)O)cc1 225130575 PBKNWWQVXFPLCO-HXUWFJFHSA-N 364.466 5.221 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(Br)c2)c1 225535913 JJYGRZXQIGUIOJ-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB Cc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1Cl 225543696 BGSGQONZSIMKNN-UHFFFAOYSA-N 353.318 5.221 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225696593 RXOZUFGEQQHOSR-SFHVURJKSA-N 367.533 5.327 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 225865318 DTSDQWPRUFNIOR-UHFFFAOYSA-N 366.505 5.410 0 40 FKAB CCC[C@H]1O[C@H]2c3ccc(C(C)(C)C)cc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257229828 FZQARONUQWWDOT-FAJBIJEISA-N 360.494 5.102 0 40 FKAB CC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238395 PCFLWNUQAQQXOU-NZYMWAMYSA-N 358.566 6.297 0 40 FKAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2c(C)cc(C)cc2C)c1 669205 PXMPZBUWXRLUKC-QHCPKHFHSA-N 356.469 5.691 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(OC)c1 944203 TUTYFGBPZROCGM-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1C 997009 VWBQBHAUFRFKSZ-GOSISDBHSA-N 358.485 5.533 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)cc1 997099 DYGIOPBBWOOYMO-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 1168421 IBBHEQXRACLNGJ-LWAUDZLXSA-N 364.316 6.261 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1CC 1770410 WSBZFRUKXDZGPX-UHFFFAOYSA-N 368.864 5.679 0 40 FKAB Fc1ccc(-c2csc3ncnc(SCc4ccccc4)c23)cc1 1915570 ILFVPXHSPWXXMP-UHFFFAOYSA-N 352.459 5.790 0 40 FKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NC1CCCCC1 2177017 MRSIDEFCZJCKAG-AATYUJHQSA-N 373.540 5.759 0 40 FKAB Clc1ccc([C@]2(CCN3CCCCC3)CCCc3ccccc32)cc1 2450390 RHBRKZVFYYENSN-HSZRJFAPSA-N 353.937 5.838 0 40 FKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)cc1 3443412 BOCSUQOMFUZAGS-GFCCVEGCSA-N 373.478 5.093 0 40 FKAB COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C)cc2)cc1 3911600 OLSMKBWUVNUYLW-UHFFFAOYSA-N 363.848 5.715 0 40 FKAB CC(C)Cc1ccc([C@H](C)c2nnc(-c3ccccc3C(F)(F)F)o2)cc1 4289192 GDOGNOLENLRXAB-AWEZNQCLSA-N 374.406 6.106 0 40 FKAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 4902442 VSGYBWSKIIFQHA-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OCCOC 5524280 LKTMQTARNSGNGM-HXUWFJFHSA-N 358.563 5.408 0 40 FKAB COc1ccc([C@@H](OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 5714782 WQZJJNLYTLWLJO-OAQYLSRUSA-N 356.506 5.732 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4OCCC[C@]4(C)[C@@H]3CC[C@]12C 6255741 WDXZKZJDWQVKNV-AVLDZIRQSA-N 374.653 7.487 0 40 FKAB Cc1ccc(CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 6907096 IBOGJCJXKAOXTP-UHFFFAOYSA-N 364.495 5.048 0 40 FKAB C[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1Cl 13022244 XGNDEGFLVIXVAU-JTQLQIEISA-N 366.223 5.033 0 40 FKAB Cc1nn(-c2cccc(F)c2)c2c1[C@H](c1cccc3ccccc13)CC(O)=N2 13570143 ZNDPWSCTSYWHAM-FQEVSTJZSA-N 371.415 5.597 0 40 FKAB CCc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N\CCCC(=O)O)c2c1 19793967 ICTMCECMRHSIDQ-PTGBLXJZSA-N 369.848 5.081 0 40 FKAB CCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)c1 27663461 BNHMKPLKYNXVKA-UHFFFAOYSA-N 374.484 5.451 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1ccnc2c(Cl)cc(Cl)cc12 31614182 NDMBIFUYJMVNEJ-CYBMUJFWSA-N 354.325 5.464 0 40 FKAB CCCCc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 32119693 COARKKSFYDQFCI-UHFFFAOYSA-N 369.508 6.285 0 40 FKAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc2c(ccc3ccccc32)[nH]1 32962869 FNVSGXYZFOYNEL-DOTOQJQBSA-N 360.379 5.172 0 40 FKAB C(=C1\CCCc2c1nc(N1CCCC1)nc2-c1ccccc1)\c1ccccc1 40385500 FMXJEMCYLVBKHM-DYTRJAOYSA-N 367.496 5.621 0 40 FKAB FC(F)(F)c1cnc(NCCc2coc(-c3ccccc3)n2)c(Cl)c1 58411489 UVRPJJNVIJOBTR-UHFFFAOYSA-N 367.758 5.063 0 40 FKAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccnc1Nc1cccc(F)c1 63692149 LOCPPKKXKIVNSU-TXPKVOOTSA-N 367.468 5.053 0 40 FKAB Clc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccccn2)n1 72357719 USHGHVMEFZIVAC-QFIPXVFZSA-N 363.892 5.058 0 40 FKAB CCCCc1c(O)c2c(n(-c3ccccc3)c1=O)[C@]1(C)CC[C@@H]2C1(C)C 101492459 JLHXBMHJBVXVAG-SBUREZEXSA-N 351.490 5.061 0 40 FKAB Cc1ccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 219127591 RVWLCYQAJIKUHV-UHFFFAOYSA-N 357.497 5.266 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)ccc1C)c1ccc(C)cc1C 219379304 VGQMDLFSXIQZQJ-LEWJYISDSA-N 353.506 5.345 0 40 FKAB COc1ccc2cc(S(=O)(=O)Nc3c(C)cccc3C(C)C)ccc2c1 224136292 ASIJVUABUFNMSP-UHFFFAOYSA-N 369.486 5.081 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1cc(C)cc(C)c1C 224606182 MQFNZSWQCAZJQU-KRWDZBQOSA-N 369.505 5.118 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 224686622 HXXAJFOGSYVBRP-GOSISDBHSA-N 359.469 5.319 0 40 FKAB Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1Cl 225080136 SFFMVRCQTKOFHK-NRFANRHFSA-N 366.844 5.390 0 40 FKAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Sc1ccccc1 225110654 QBUFQTBQLISXDQ-HXUWFJFHSA-N 350.439 5.267 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225548851 VPSNFIVMQHWBDY-UHFFFAOYSA-N 369.480 5.764 0 40 FKAB O=C(c1cc2cc(F)ccc2s1)N1CCc2cc(-c3ccncc3)ccc21 225639043 GZQXXYKWFAYVSY-UHFFFAOYSA-N 374.440 5.305 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc(Cl)cc1F 225678929 KEROXAQCBDYEFJ-UHFFFAOYSA-N 365.901 5.783 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1C 225706788 BCDCNOQLPPBINF-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c2ccccc12 225833625 TUXPYUPUONHPCB-OPAMFIHVSA-N 355.478 5.162 0 40 FKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226756116 WJKDOLKHZDUOLS-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1OCC 408567382 MGFNGHBDBRJNIG-ZRDIBKRKSA-N 373.880 5.488 0 40 FKAB Brc1ccc(COc2cccc(CNc3ccccc3)c2)cc1 409110048 QHMZZKASLRECCB-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB Cc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 1415874 AMMPEOCZTJNZSH-UHFFFAOYSA-N 366.877 5.207 0 40 FKAB CC(C)Oc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 2232730 VVPWCQFDGAMCAV-WZONZLPQSA-N 373.968 6.608 0 40 FKAB CCO[P@]1(=O)C(c2ccccc2)=C(C(=O)OC)C[C@@H]1c1ccccc1 2266023 LDDAIZZDLBKFJB-CJAUYULYSA-N 356.358 5.030 0 40 FKAB CC(C)[C@@H](C(=O)Nc1ccccc1OC(F)F)c1ccc(Cl)cc1 3325484 SRCJPVQSKIXEIY-MRXNPFEDSA-N 353.796 5.320 0 40 FKAB CC(C)Cc1ccc([C@H](C)NC(=O)c2sc3ccccc3c2Cl)cc1 3357751 DYTAXBQOPVCDJX-AWEZNQCLSA-N 371.933 6.244 0 40 FKAB CCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 3434579 PHVGRXBHNKLWKH-UHFFFAOYSA-N 369.248 5.435 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc(Cl)c2)on1 3908267 FTOUVCPPAJPFCV-UHFFFAOYSA-N 351.164 5.040 0 40 FKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccs1 4487757 SQTIDZIAAUSMDS-UHFFFAOYSA-N 366.467 5.286 0 40 FKAB COc1ccc(-c2nc(SC)cc(Sc3ccc(C)cc3)n2)cc1 4536114 VYLTUCCIOZGGGV-UHFFFAOYSA-N 354.500 5.334 0 40 FKAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 4746537 RIFSHWMGPCASJT-KNEUKCCGSA-N 359.513 5.688 0 40 FKAB Cc1cccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)c1 4865237 ZHSIQGCZRNVATM-CCEZHUSRSA-N 367.452 5.154 0 40 FKAB O=C1[C@H]2CC[C@H](C2)[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 6344729 NBTAGCPQLIPHHH-CSODHUTKSA-N 361.466 5.468 0 40 FKAB CCCCc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 6417779 OTKIACJSQJWHJA-UHFFFAOYSA-N 363.476 6.359 0 40 FKAB Cc1[nH]c2ccc(C(=O)Nc3ncc(C(F)(F)F)cc3Cl)cc2c1C 6756131 AENNPWLIVPQXID-UHFFFAOYSA-N 367.758 5.104 0 40 FKAB Cc1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)n1C1CC1 7617559 HNQWHBPZBBIYMF-GOSISDBHSA-N 355.894 5.457 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)OCc1nc2ccccc2s1 7719663 SMZPLYMEDSFEAL-UHFFFAOYSA-N 372.496 5.147 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C)sc2c1Cl 7918096 VZSSHQUNXTVILK-UHFFFAOYSA-N 366.269 5.777 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC(c1ccccc1)c1ccccc1 11637263 SQWFNMQRSUQNLB-QHCPKHFHSA-N 373.496 5.367 0 40 FKAB Cc1ccc(-c2cc(CC(=O)Nc3ccccc3-c3ccccc3)no2)cc1 12862933 LSYMFHBSAGXTOO-UHFFFAOYSA-N 368.436 5.498 0 40 FKAB CC[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccccc1 14071283 NNFFEFMKICYHNM-OAHLLOKOSA-N 373.827 5.868 0 40 FKAB Clc1ccc(COc2cccc(CNCCc3ccccc3)c2)cc1 16479369 IFXGKXNNFWPNNV-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB O=C(Cc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1ccccc1 25862877 UXNRJMURRINJHP-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc(-c4ccccc4)ns3)oc2c1 28287942 LTBWQRZDXJNLNG-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 30868659 RPTGYFGRIOXWEZ-CQSZACIVSA-N 358.652 5.443 0 40 FKAB C[C@@H](NCc1ccc(N(C)c2ccccc2)cc1)c1ccc(F)cc1F 57963439 JWSPOWIWHKWFGY-MRXNPFEDSA-N 352.428 5.584 0 40 FKAB Cc1ccc(/C=C/C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)o1 58414222 SGVNGSUVPFNGFE-VYENPZKTSA-N 357.862 5.222 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CNC(=O)c5ccccc5)(C4)C2)C3)cc1 103000786 WWIMXLBOXZAALC-SCAKWATOSA-N 359.513 5.263 0 40 FKAB C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@H]2CCCC[C@H]21 105772625 JFHQWHIMTAPJKK-MNEFBYGVSA-N 372.509 5.074 0 40 FKAB Cc1ccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 222691101 LBLISKRTQDTJPK-UHFFFAOYSA-N 361.938 5.270 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(F)(F)F)cc1 222877218 WGWNMULJARKCBM-QGZVFWFLSA-N 351.368 5.064 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220313 SVIBIPTYWDDLKW-GAJHUEQPSA-N 373.496 5.363 0 40 FKAB CC(C)Oc1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225541888 QSHJWMBMPVNZSH-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225820038 WSFUGIVMIGHRDG-RTWAWAEBSA-N 369.505 5.045 0 40 FKAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226334174 RPLPXRHRMPOWQK-QPJJXVBHSA-N 371.647 5.412 0 40 FKAB CCCCc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 408708504 JDLPBNMFWANIJQ-UHFFFAOYSA-N 372.553 5.079 0 40 FKAB CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccccc1 409116778 LRZXQQAZRQLXKN-UHFFFAOYSA-N 361.485 5.839 0 40 FKAB Cc1ccc2nc(-c3cc(NC(=O)c4cccnc4)ccc3Cl)oc2c1 848951 YMUZKNSCVJTLIV-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1c(F)cccc1Cl 1880207 ZKRLMWPTSMHNKN-AUWJEWJLSA-N 370.594 5.130 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 2159346 GOJRUNAACZKFMY-UHFFFAOYSA-N 371.867 6.745 0 40 FKAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 2349057 QRIRSUKRGULSJG-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB CCc1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 2403292 SGVALCHFPPPBLN-UHFFFAOYSA-N 374.893 5.114 0 40 FKAB CCOc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 2739341 FJVAZGWFJMAXBI-UHFFFAOYSA-N 372.824 5.149 0 40 FKAB Cc1cccc(OP(=O)(Nc2ccccc2F)Oc2cccc(C)c2)c1 3123393 KRNKVZQTWYHXMK-UHFFFAOYSA-N 371.348 6.121 0 40 FKAB Cc1ccc([C@]2(CCN[C@@H](C)c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 4043270 NKGXTFCIHUTLTA-FTBPSBKWSA-N 365.561 5.809 0 40 FKAB biogenic Cc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)o1 4168620 VCLXNEHPZARMFA-UHFFFAOYSA-N 370.239 5.329 0 40 FKAB O=C(Nc1nc2c(F)cccc2s1)c1sc2ccccc2c1Cl 4264239 BPELNPMITMONSX-UHFFFAOYSA-N 362.838 5.556 0 40 FKAB COc1ccc(-c2c(C)c3cc(OCc4ccccc4)ccc3oc2=O)cc1 4340755 BMMSGDRJCYNYIN-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)c1 5033291 MRKJQABVCBLIJL-UHFFFAOYSA-N 353.805 5.363 0 40 FKAB CC[C@]1(C)C(Nc2c(C)cccc2C)=NC(=S)N1c1cccc(C)c1 5421617 LKVKHOOFKRUJQE-OAQYLSRUSA-N 351.519 5.396 0 40 FKAB Brc1cnc2nc(SCc3cccc4ccccc34)[nH]c2c1 5453590 TZKCOPWVOJRYNR-UHFFFAOYSA-N 370.275 5.166 0 40 FKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1[C@@H](C)c1ccccc1 5530570 WGUGWKZAAWBQOW-AWEZNQCLSA-N 372.295 5.664 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(OCc2ccccc2)c1 6231882 BQHVRTWTUGYILI-QHCPKHFHSA-N 357.453 5.073 0 40 FKAB Clc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 6322917 FAMBEAPWTPWNSY-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccco2)nc2ccccc12 6607693 VYTGDAVTEBJHDW-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Clc1nc2ccccn2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12633683 JCDXICBMDGNPTP-UHFFFAOYSA-N 370.843 5.712 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 12900475 RDLLJWQSEIXEHL-UHFFFAOYSA-N 361.228 5.220 0 40 FKAB Cc1nn(-c2ccccc2)c2nc3ccccc3c(-c3ccc(Cl)cc3)c12 16266164 PRNLUWCFDDFGIM-UHFFFAOYSA-N 369.855 6.203 0 40 FKAB Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)cc1Cl 16312883 OLXZUVIHEUBADB-JOCHJYFZSA-N 364.851 6.143 0 40 FKAB CCCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccc(C)cc3nc21 17250301 UOACEFMAEOCLFL-UHFFFAOYSA-N 372.472 5.254 0 40 FKAB Clc1cccc(CSc2nc3ccc(Br)cc3[nH]2)c1 20765363 KSANDSWMQMVIQU-UHFFFAOYSA-N 353.672 5.271 0 40 FKAB Cc1cccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c1 27526097 LVVNOLZGBUVOFF-UHFFFAOYSA-N 358.292 5.052 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 29507462 LMECMBTVKFFHFM-UHFFFAOYSA-N 372.399 5.708 0 40 FKAB C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl 33040092 GSYXGONAGCCDRU-ZIAGYGMSSA-N 370.855 5.310 0 40 FKAB Cc1ccc(-c2csc(Cc3nc(-c4cccc(F)c4)no3)n2)cc1C 33298157 LHDWODZDIUQTSN-UHFFFAOYSA-N 365.433 5.207 0 40 FKAB CCCN(C(=O)c1cc(C)nc2onc(C)c12)c1cccc2ccccc12 63951852 VIEDJUMSCCRRIP-UHFFFAOYSA-N 359.429 5.050 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 96506438 PVJAGXSXYBFDDS-UHFFFAOYSA-N 371.358 5.537 0 40 FKAB Cc1ccc(C[C@@H]2Nc3c(-c4ccc(C)cc4)csc3C(=O)N2C)cc1 98212066 FBTMEQMVJJTDTC-LJQANCHMSA-N 362.498 5.098 0 40 FKAB CC1=C(C)[C@@H](C)[C@]2(C)N=NN(c3ccc(Br)cc3)[C@@]2(C)[C@H]1C 222336901 AEIGMGYOVQMLSX-BODMPHMZSA-N 362.315 5.776 0 40 FKAB CCc1ccc(CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 224333787 LIRLANQAEZCVGH-NRFANRHFSA-N 363.501 5.134 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C 225378690 QRPLDKUAFDNGGN-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB Cc1cc(C)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C 225641739 BWIIBUMSSINXHG-UHFFFAOYSA-N 361.510 6.156 0 40 FKAB COc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c(OC)c1 225763798 BRUMTASNSSCUIT-HXUWFJFHSA-N 372.534 5.004 0 40 FKAB Cc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1C 408622910 QGFVDMHHQCPGCH-UHFFFAOYSA-N 368.889 5.237 0 40 FKAB Cc1cc(CSc2ccccc2)ccc1NC(=S)Nc1ccccc1 408923840 HGERGDQSSWZJPO-UHFFFAOYSA-N 364.539 6.096 0 40 FKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccccc1F 409116103 KPOCQMBGDULKHL-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 584577503 CRRKVZVYZQXICQ-AKCLOJTASA-N 358.522 5.086 0 40 FKAB O=C(Cc1ccc(C2CCCCC2)cc1)Cc1ccc(C2CCCCC2)cc1 685937244 DDZCMCNATZJJDU-UHFFFAOYSA-N 374.568 7.136 0 40 FKAB Cc1cc(OCc2nnc(SCc3ccccc3F)o2)ccc1Cl 905464 NOQVNNYLGRKNHC-UHFFFAOYSA-N 364.829 5.042 0 40 FKAB Cc1cc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)c2ccccc2n1 1426597 FENSWCXJSJYWMH-UHFFFAOYSA-N 373.456 5.470 0 40 FKAB Cc1ccc(S(=O)(=O)Nc2c(C)c(Cl)c(C)c3ccccc23)cc1 1610531 LQZMLDSPMCGCNL-UHFFFAOYSA-N 359.878 5.219 0 40 FKAB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OCOC(C)=O)cc1 1705435 RZWYEKGKFDVTDP-FGZHOGPDSA-N 356.462 5.282 0 40 FKAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1c(C)cccc1C(C)C)C3 2116741 QXLXLJKRDRRPNZ-UHFFFAOYSA-N 363.457 5.144 0 40 FKAB biogenic COc1cccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn23)c1 2200945 IGCHZSWENXFGHV-UHFFFAOYSA-N 372.472 5.580 0 40 FKAB Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Sc1ccc(F)cc1 4306114 FUEPJJQLBWBUSZ-MDWZMJQESA-N 352.434 5.144 0 40 FKAB O=C(Nc1cccc(C2OCCCO2)c1)c1sc2ccccc2c1Cl 4727430 QGJGXGKPGVJQNT-UHFFFAOYSA-N 373.861 5.243 0 40 FKAB FC(F)(F)c1cc(Cl)c2nc(C34CC5CC(CC(C5)C3)C4)cn2c1 4864221 XPNGOJDRBNQUMT-UHFFFAOYSA-N 354.803 5.474 0 40 FKAB CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccco3)=NN12 5016914 LCIBIKLOFHJYOQ-TUVDCLKLSA-N 370.880 5.773 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Cl)cc2)o1 5155999 FFKJYBCOIQYEPX-UHFFFAOYSA-N 355.865 5.299 0 40 FKAB aggregator CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccccc1 5593012 ICKYZNCIKKTMGH-UHFFFAOYSA-N 367.876 5.930 0 40 FKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccco1 5704962 MXTRVZDKFUTFOB-UHFFFAOYSA-N 354.365 5.493 0 40 FKAB Cc1occc1-c1nnc(SCc2ccccc2)n1Cc1ccccc1 6532204 LLNPBTBZFZRZDI-UHFFFAOYSA-N 361.470 5.187 0 40 FKAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1c2ccccc2Oc2ccccc21 6560655 NXPWWRWJFAJYOI-UHFFFAOYSA-N 373.496 5.257 0 40 FKAB Cc1cc(C)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 8037005 DNSQZCZLWBVLAF-UHFFFAOYSA-N 353.853 5.012 0 40 FKAB CC(C)C(=O)Nc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 8188322 IUULHHSDSJBXOM-UHFFFAOYSA-N 363.461 5.296 0 40 FKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1cccs1 8472389 OVZSPOYQFWVDSX-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 9137245 APRPQXAQIYNPKV-UHFFFAOYSA-N 372.468 5.171 0 40 FKAB CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC(C)C 9418866 PJVSKMSAIIGSMR-UHFFFAOYSA-N 352.482 5.043 0 40 FKAB O=C(CCCSc1nnc(-c2c[nH]c3ccccc23)o1)c1cccs1 12592978 YGOPJUNJKUBANI-UHFFFAOYSA-N 369.471 5.035 0 40 FKAB CCCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 12606854 AETUABNQODTNIY-UHFFFAOYSA-N 365.289 5.138 0 40 FKAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccc2ccccc2c1 12850354 PXEKYRABQOLKAN-UHFFFAOYSA-N 361.388 5.747 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 13646371 DYYJKUZVGFIRNH-UHFFFAOYSA-N 373.521 5.880 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)C2(c3ccccc3)CCCC2)c1 20096479 IKFKBMJYJZECIU-UHFFFAOYSA-N 370.880 5.139 0 40 FKAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c(C)c1 23390708 LYHVCFUTGBMZQL-UHFFFAOYSA-N 363.461 5.048 0 40 FKAB CSc1ccc(CSCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 25076373 CJJSYWQFHMDWMP-CQSZACIVSA-N 371.527 5.265 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nccn1-c1ccccc1 25967951 ZTWGOYXUVJAGHA-MRXNPFEDSA-N 365.502 5.115 0 40 FKAB Cc1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 27583977 IKFNLIZJLAVCND-DEOSSOPVSA-N 372.512 5.105 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1 27664559 YANYKGAONOQJBY-UHFFFAOYSA-N 351.471 5.302 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc2ccccc2oc1=O 32716535 AEDXBLJIZSFCRY-UHFFFAOYSA-N 373.433 5.197 0 40 FKAB Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3cccc4ccccc34)o2)c1 32759513 DWIAPBSJBLMDOX-IAGOWNOFSA-N 357.457 5.610 0 40 FKAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)sc2nc(C(F)(F)F)ccc12 32809493 CWUNPYPYURQVFQ-ZYHUDNBSSA-N 370.440 5.274 0 40 FKAB Cc1cc(Nc2ccc(C(C)C)cc2)n2nc(-c3ccccc3)c(C)c2n1 40216660 RYJBNLWPPZPOJW-UHFFFAOYSA-N 356.473 5.880 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(Cl)cc1Cl 44781687 GUFDJLOPXKXCMR-UHFFFAOYSA-N 355.224 5.880 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H]1c1cccc(F)c1 56539513 LLKCQCCEINZTPZ-OAQYLSRUSA-N 367.468 5.185 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412474 YUCURESTGIUJBF-UHFFFAOYSA-N 353.853 5.325 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351562 JHLNADCOBHDTNL-UZLBHIALSA-N 359.897 5.300 0 40 FKAB Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)ccc1F 67297485 UAWFNCZWGMBXGV-RWEWTDSWSA-N 372.399 5.365 0 40 FKAB COc1ccc(NC(=S)Nc2cc(C)c(Cl)cc2OC)cc1Cl 71761847 RJXLQUYVKBBVIN-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB c1ccc(COC[C@@H](Nc2ncnc3sccc23)c2ccccc2)cc1 72293826 YUCCMDCDIGULGC-LJQANCHMSA-N 361.470 5.061 0 40 FKAB Cc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccc(O)cc3)n2)cc1 72357898 XFWHGJGPDXSZHY-DEOSSOPVSA-N 358.485 5.024 0 40 FKAB O=C(NC1(c2ccccc2)CCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84525136 FCEAVLGWIGYPOA-IAGOWNOFSA-N 359.391 5.005 0 40 FKAB CC(C)COc1cccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 84544465 KSPQXXAAAWBISQ-UHFFFAOYSA-N 355.478 5.036 0 40 FKAB Cc1csc(C2=C(O)CN(c3ccc(Oc4ccccc4)cc3)C2=N)n1 102730878 GFWIHOHXKXKEGI-UHFFFAOYSA-N 363.442 5.010 0 40 FKAB COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118923203 JCEJAUVYYGKDSZ-KXXKBDANSA-N 360.582 6.235 0 40 FKAB CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C 144536863 MHVXSQIIVZQGRZ-UHFFFAOYSA-N 357.294 5.091 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1Cl 223000793 OJTFVPSCIMVGLJ-CQSZACIVSA-N 357.881 5.109 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC)c1ccccc1C 224365793 PCNSWPBFQQEOOV-GOTSBHOMSA-N 365.517 5.299 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1C 224719808 QWXVIEKNKMOKAN-SIKLNZKXSA-N 367.533 5.770 0 40 FKAB Cc1ccc(CSCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225292692 XEPDILUBBPGNKA-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(OC)cc1 225355768 XAGWGUFEPAXHDK-SFHVURJKSA-N 366.288 5.202 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1Cl 225536025 GRCHZWUKBZCGIE-UHFFFAOYSA-N 371.908 5.969 0 40 FKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225748871 BVXHFXMIYQUQEW-JOCHJYFZSA-N 361.526 5.712 0 40 FKAB Fc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1Cl 225856936 QUAIJYOCBQGONY-UHFFFAOYSA-N 354.903 5.297 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 408562536 ABVOONBVONFGFB-UHFFFAOYSA-N 367.558 6.130 0 40 FKAB Cc1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 408619347 BGYWMIMHJIZORO-UHFFFAOYSA-N 372.679 5.590 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408769432 UWIVZYNOAJEVJM-UHFFFAOYSA-N 361.510 6.355 0 40 FKAB Cc1nnc(SCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 409089432 MJSWFXCRKMYKRP-UHFFFAOYSA-N 368.264 5.314 0 40 FKAB Cc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@@H]32)c1 828882 HEBTXPGHJAJQOE-NFBKMPQASA-N 355.462 5.775 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1OCC 936320 RZZZGBJGVGJTPU-WYMLVPIESA-N 353.462 5.259 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(Cn2cc(Cl)cn2)c1 1069266 IZMLTXRJRPXIDA-UHFFFAOYSA-N 367.880 5.269 0 40 FKAB CC[C@@H](O)C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C 1412566 GTZVMLBDLMWVMM-WIYYLYMNSA-N 362.494 5.763 0 40 FKAB Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1-c1ccccc1 2159278 GUVJTAAOFMVDNC-UHFFFAOYSA-N 355.868 7.044 0 40 FKAB O=C(N[C@H](c1ccccc1)C1CCCC1)[C@@H](c1ccccc1)C1CCCC1 2183344 GTQRGAZXIVSGOU-BJKOFHAPSA-N 361.529 6.008 0 40 FKAB O=C(NCCSc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 2721028 NVKPTWLUNGJXQX-UHFFFAOYSA-N 372.493 5.357 0 40 FKAB Cc1cc(C)c2nc(SCc3nnc(-c4ccccc4)o3)cc(C)c2c1 2726600 STJURWNRZFWTHA-UHFFFAOYSA-N 361.470 5.502 0 40 FKAB Cc1ccc(-c2csc(NC(=O)c3ccc(OCC(C)C)cc3)n2)cc1 2752390 ZGRDHNGVXZSHBD-UHFFFAOYSA-N 366.486 5.406 0 40 FKAB Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccccc1 3353657 TYIXSJIRFLNDJA-UHFFFAOYSA-N 363.269 5.678 0 40 FKAB Cc1ccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 4482022 SITHMOVLUSCACU-WQYWAISESA-N 352.305 5.098 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccccc1Cl 4856804 UFJKNEZTEYLERH-CCEZHUSRSA-N 358.828 5.210 0 40 FKAB Cc1cc(C(C)(C)C)c(O)c(C(C)(C)c2cc(C)cc(C(C)(C)C)c2O)c1 5959442 LXSWODFYFBTDSR-UHFFFAOYSA-N 368.561 6.636 0 40 FKAB Clc1ccccc1NCc1ccc(CNc2ccccc2Cl)cc1 6222458 SWCDJBRCEFKTNL-UHFFFAOYSA-N 357.284 6.218 0 40 FKAB CCCCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7261069 UPYYPVVMMGKCCL-UHFFFAOYSA-N 366.332 6.242 0 40 FKAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(Oc2ccccc2)cc1 7349158 CCUYZUMVIJUNHN-UHFFFAOYSA-N 364.401 5.480 0 40 FKAB Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 7808052 WYQPRYKJZIHDTO-UHFFFAOYSA-N 368.436 5.247 0 40 FKAB CCCCCc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12796133 DFKIQYLVNGKGHZ-AWEZNQCLSA-N 369.534 5.507 0 40 FKAB COc1cc2c(cc1NC(=O)c1cc(F)ccc1F)oc1ccccc12 16215123 LEPZFTYMSZBRCE-UHFFFAOYSA-N 353.324 5.125 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 20453838 QFZFEAJAPRQRQH-SFHVURJKSA-N 361.441 5.502 0 40 FKAB COc1cccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c1 20602781 HIYGOQCGZBRZSN-UHFFFAOYSA-N 369.346 5.173 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312340 RXEGLQDBQQNEEP-UHFFFAOYSA-N 357.759 5.155 0 40 FKAB Clc1ccccc1-c1noc(Cc2nc(-c3ccccc3)cs2)n1 33298257 NWUGSNMSIJJGBH-UHFFFAOYSA-N 353.834 5.104 0 40 FKAB Fc1cccc(COc2ccc(C(=S)N3CCCCC3)cc2Cl)c1 33668931 NGIIOJRKSXFXHP-UHFFFAOYSA-N 363.885 5.220 0 40 FKAB Cc1cccc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)oc12 41313721 CLUHXIWFMRWZFE-UHFFFAOYSA-N 353.727 5.666 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 44884838 PIZAAMFWYXMVNG-ZDUSSCGKSA-N 352.261 5.325 0 40 FKAB COc1ccc2oc(C)c(C(=O)Nc3nc4ccc(Cl)cc4s3)c2c1 61997071 YHFMHBLLPNGGKE-UHFFFAOYSA-N 372.833 5.265 0 40 FKAB O=C(Nc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1cccs1 70758787 FGSVMCGQLZQRSL-QGZVFWFLSA-N 358.463 5.128 0 40 FKAB O=C(Nc1ccccc1-c1cccs1)c1ccc(-c2ccccc2F)o1 71878498 RUYRTYHRXARJTJ-UHFFFAOYSA-N 363.413 6.067 0 40 FKAB O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCCC[C@H]1C(F)(F)F 84374438 LWCHLSPIPBJEGL-ZIAGYGMSSA-N 369.412 5.053 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)o1 102709558 IPOLBBALHMLDKO-RXVVDRJESA-N 364.832 5.484 0 40 FKAB COc1c(C)cc(O)c(-c2c(O)ccc3ccc(Br)cc23)c1C 169796303 UHEABSHELNXELC-UHFFFAOYSA-N 373.246 5.306 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCCSC1CCCCC1 222685534 FJAUENPOFZLVOP-UHFFFAOYSA-N 371.999 5.394 0 40 FKAB O=C(COc1ccc(F)cc1)Nc1ccc(CSc2ccccc2)cc1 222780315 VZPCAZXUYHGQAX-UHFFFAOYSA-N 367.445 5.136 0 40 FKAB FC(F)(F)c1cc(NC(=S)NC2CCCCCC2)ccc1Cl 225353205 DANZXEVVLWMYIK-UHFFFAOYSA-N 350.837 5.368 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C)c3)CCCC2)c1 225510911 OFPVPGOQXPHPHC-UHFFFAOYSA-N 365.517 5.789 0 40 FKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(Cl)cc1 225599966 GXUHZFSDESOEDO-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225841599 DMNNZIPLQFTZTM-QHCPKHFHSA-N 371.521 5.797 0 40 FKAB Cc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1Cl 945532 BRALTPAXWYLNAE-QGZVFWFLSA-N 364.876 5.229 0 40 FKAB O=C(Nc1ccc(F)cc1)c1cc2sccc2n1Cc1ccc(F)cc1 1324275 MINHEBYPOYEAKO-UHFFFAOYSA-N 368.408 5.282 0 40 FKAB CCN(CC)CCCCCCNc1cc(OC)c(F)c2c(C)ccnc12 1568084 RWLBMCMLTHIUMT-UHFFFAOYSA-N 361.505 5.005 0 40 FKAB CCOC(=O)/C(=C/c1ccc2ccccc2c1)P(=O)(OCC)OCC 1634974 DLECWYVBKQCDRC-JXAWBTAJSA-N 362.362 5.010 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 1877951 GQRSTCOXEYQVFZ-CCEZHUSRSA-N 356.450 5.615 0 40 FKAB CCCCc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1909328 SYKUHPKFOHEWNI-UHFFFAOYSA-N 352.261 5.354 0 40 FKAB Cc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1C 3067869 XCTYNKDDZJXWLZ-JOCHJYFZSA-N 363.888 6.383 0 40 FKAB COc1ccc2oc(C(=O)Nc3cc(C(C)(C)C)ccc3OC)c(C)c2c1 3347588 PFVGKQCIHJILKV-UHFFFAOYSA-N 367.445 5.308 0 40 FKAB Cn1c(-c2cccnc2)c(CCCCCC(=O)O)c2cc(Cl)ccc21 5161529 BYQANTGKEVLUKZ-UHFFFAOYSA-N 356.853 5.081 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 5268356 FFQWVAKSMIWJED-UHFFFAOYSA-N 362.429 5.284 0 40 FKAB CC(=O)[C@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5557237 BMMLEGKZMUJWNL-HNNXBMFYSA-N 367.518 5.072 0 40 FKAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 6330549 QKJXVAFFIXWRKR-SECBINFHSA-N 360.643 5.206 0 40 FKAB c1coc(-c2cc(CN3CCCC[C@H]3c3nc4ccccc4s3)no2)c1 8005324 BQRNRZGVAYHOAD-INIZCTEOSA-N 365.458 5.272 0 40 FKAB Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)CSC3)cc1 9391574 CRMQJTIFNHBFCF-UHFFFAOYSA-N 369.534 5.227 0 40 FKAB COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 9615097 POIHBKXQULMBBS-UHFFFAOYSA-N 352.261 5.272 0 40 FKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl 10860378 GQKZPWKBAKZSNX-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1(c2ccccc2)CC1 12602945 FPMAUVCGUGAPBR-UHFFFAOYSA-N 354.862 5.134 0 40 FKAB CC(C)[C@H](NCc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 12799078 SFLBSIAQERZEME-KRWDZBQOSA-N 362.951 6.012 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 20490742 BRUNGUQCFLCDLC-UHFFFAOYSA-N 353.531 5.692 0 40 FKAB CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1ccccc1C 22993903 HAMOCXYXSOFALQ-UHFFFAOYSA-N 371.440 5.173 0 40 FKAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(C3CCCCC3)cc2)c1 24581142 TYLHZHKHLMCWNW-UHFFFAOYSA-N 374.488 5.265 0 40 FKAB COC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(Cl)cc1 27562016 GPNADBCRFGRSGB-UHFFFAOYSA-N 359.834 5.241 0 40 FKAB Cc1ccc(-c2nsc(NC(=O)c3oc4cc(C)ccc4c3C)n2)cc1 27988957 RFUYKEQMUNUPCU-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1cccc(Cl)c1 35616127 AOQBWHXZAHJBKD-UHFFFAOYSA-N 370.239 5.757 0 40 FKAB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 38609663 KDLNOQQQEBKBQM-ZCPNKVFMSA-N 372.549 5.476 0 40 FKAB biogenic CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 38771141 REVBJKQBBNSQSS-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB C[C@H](c1nc2ccccc2n1C(F)F)N1CC=C(c2ccccc2)CC1 40018119 UBVBDLPLXMYMHN-OAHLLOKOSA-N 353.416 5.282 0 40 FKAB Cc1cccc(Oc2ncccc2NC(=O)c2ccc(F)c(F)c2)c1C 40155328 HAVSWOZTPGIPAM-UHFFFAOYSA-N 354.356 5.021 0 40 FKAB Cc1nc(Oc2ccc3ccncc3c2)c2c3c(sc2n1)C[C@@H](C)CC3 40160648 LFPHAPBZZHYISI-LBPRGKRZSA-N 361.470 5.465 0 40 FKAB CCN(CC)C(=O)[C@@H](Sc1nc2cc(Cl)ccc2o1)c1ccccc1 57849277 MGXCVZAWKMAPMO-KRWDZBQOSA-N 374.893 5.183 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)c1 96037346 GOPUJLNXBSYNDQ-UHFFFAOYSA-N 359.473 5.583 0 40 FKAB COc1ccc(OC)c2c1[C@@H]1C(=C(C)C)[C@@H]2c2c(F)c(F)c(F)c(F)c21 101050799 HAZODKJEOGUBOS-KBPBESRZSA-N 364.338 5.187 0 40 FKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc2c(ccc3ccccc32)o1 224020987 NVUMSCKMYOFRNI-UHFFFAOYSA-N 363.416 6.090 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224467407 ZPFCCMPXKIATFR-HXUWFJFHSA-N 373.452 5.999 0 40 FKAB CC(C)Oc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 225071500 BYBQJQSVENYXSJ-UHFFFAOYSA-N 368.658 5.142 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225821130 HURRDZPYSFMQGR-HXOBKFHXSA-N 371.521 5.797 0 40 FKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 227144697 QPQIPHRKRCZPDZ-UHFFFAOYSA-N 360.335 5.108 0 40 FKAB O=C(Nc1cccc(Br)c1)c1cc2c(ccc3ccccc32)o1 408575737 QAQRSZXLDHQPMM-UHFFFAOYSA-N 366.214 5.601 0 40 FKAB COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 408627719 NFTPPZIQMOTAIZ-UHFFFAOYSA-N 374.465 5.533 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1 408723958 BEIFKARLGDVGAT-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1cccc(F)c1 409118370 PKYFIODSSNAHTQ-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB Cc1ccc2oc(CC[C@@](C)(O)c3ccccc3)c(-c3ccc(C)o3)c2c1 854332 KGVQDYYCGGJDKE-XMMPIXPASA-N 360.453 6.150 0 40 FKAB biogenic Cc1ccc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc1 992028 BNLKBFIWORKETI-UHFFFAOYSA-N 353.421 5.567 0 40 FKAB Brc1ccc(-c2cc3cc(Br)ccc3[nH]2)cc1 1517836 AHJIOTIVIOUCNA-UHFFFAOYSA-N 351.041 5.360 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 3044548 XCZIEBPXENSRMN-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cc(C)ccc2C)c1 3061678 SLVMTLZNDLLBSW-HSZRJFAPSA-N 369.508 5.865 0 40 FKAB Fc1ccc(N=c2sc(-c3ccccc3)c(-c3ccccc3)s2)cc1 3166844 XDNXEOKKDOAOIB-UHFFFAOYSA-N 363.482 6.515 0 40 FKAB CC(C)c1ccc(Cc2cn3cc(-c4ccc(F)cc4)nc3s2)cc1 5020471 DWGISMGGDKSOTI-UHFFFAOYSA-N 350.462 5.916 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)O)s2)c1 5571235 CRBYWHVOFMCWCE-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB CCCCCCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 5782674 NCZDUTFCFWABGZ-INIZCTEOSA-N 356.462 5.535 0 40 FKAB Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccco2)c1 7523694 ZZNNFNPFLHNVBF-UHFFFAOYSA-N 362.256 5.455 0 40 FKAB CCCCc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 7995931 HVKORRNHJWUMFY-UHFFFAOYSA-N 350.487 5.713 0 40 FKAB Cc1ccc(C)c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 8188513 JOFRNECEFRTORO-OAHLLOKOSA-N 370.543 5.225 0 40 FKAB CCOc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC 8324951 YJMMUNNRUUHBSM-KTIUQTLCSA-N 357.538 5.179 0 40 FKAB CC(C)(C)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673423 QLMYZQGCTCZIOU-UHFFFAOYSA-N 362.473 5.145 0 40 FKAB Cc1cc(C)c2oc(-c3cc(NC(=O)C(C)(C)C)ccc3Cl)nc2c1 9141052 QZMQGRZDYZAZKV-UHFFFAOYSA-N 356.853 5.750 0 40 FKAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccn1 11914485 OINZJKZYEJPBKK-UHFFFAOYSA-N 357.240 5.235 0 40 FKAB Cc1ccc2[nH]c(C(=O)Nc3ccc(SCc4cccnc4)cc3)cc2c1 12754251 KTHDKPAEFKEGRU-UHFFFAOYSA-N 373.481 5.416 0 40 FKAB Cc1cc(Cl)cc(C)c1OCC(=O)c1cc(C)n(Cc2ccco2)c1C 13042459 ZUTKJVUYTOWIQJ-UHFFFAOYSA-N 371.864 5.278 0 40 FKAB Cc1ccc(-c2nn(CN(C)Cc3ccccc3Cl)c(=S)o2)cc1C 13073816 CUUSRNKXQNSCCY-UHFFFAOYSA-N 373.909 5.232 0 40 FKAB Cc1csc(N(C(=O)[C@@H](C)Oc2cccc(Cl)c2)c2ccccc2)n1 14586731 NFIXWZXHNZEIOX-CQSZACIVSA-N 372.877 5.237 0 40 FKAB Cc1csc(N(C(=O)c2nc(Cl)ccc2Cl)c2ccccc2)n1 14586948 VYGKHPJNOCBASX-UHFFFAOYSA-N 364.257 5.132 0 40 FKAB O=C(/C=C/c1cccs1)Nc1ccccc1SCc1ccsc1 15720292 DYECYVYFQBNAOI-BQYQJAHWSA-N 357.525 5.754 0 40 FKAB Cn1c(SCc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 16789073 WTSLCWXXDSSEOR-UHFFFAOYSA-N 355.482 5.211 0 40 FKAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 20632780 FNESPIOEBGXZBJ-CQSZACIVSA-N 371.267 5.400 0 40 FKAB Clc1ccc(Br)cc1-c1nc2c(Cl)cccc2s1 45920951 FWZSEHBRFSQZLZ-UHFFFAOYSA-N 359.075 6.033 0 40 FKAB O=C(Nc1cccc(Cl)c1F)[C@H](Oc1ccccc1)c1ccccc1 59250703 IVRMSQMQWYXCOR-LJQANCHMSA-N 355.796 5.238 0 40 FKAB CN(C)C(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 59842991 QWEAUEMKULDMGY-UHFFFAOYSA-N 369.635 5.157 0 40 FKAB O=C(Nc1ccccc1)[C@H](Nc1nc2ccccc2s1)c1ccccc1 64915063 CBMUKRTYKPMUDO-LJQANCHMSA-N 359.454 5.088 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1SC(C)(C)C 72217450 IYYSJPJTUJKIOI-HNNXBMFYSA-N 350.528 5.434 0 40 FKAB Cc1cc(F)ccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 98073098 JFYIFWIKDRQILO-MRXNPFEDSA-N 361.416 5.107 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OC 106992988 YTGROSYUZXPNPN-UHFFFAOYSA-N 354.277 5.711 0 40 FKAB Cc1nc(-c2ccccc2NC(=O)c2ccc(-n3cccc3)cc2)cs1 208008193 FQVKOFDZGGKDGU-UHFFFAOYSA-N 359.454 5.162 0 40 FKAB O=C(N1CCS[C@@H](c2ccccc2)CC1)C1(c2cccs2)CCCC1 208041428 IPMLZQBXURKTLV-GOSISDBHSA-N 371.571 5.267 0 40 FKAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1 214401220 BIIFNKAHKFHZDC-VGOFMYFVSA-N 368.241 5.131 0 40 FKAB CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219650099 CLHUDVLPAVTWCW-KRWDZBQOSA-N 355.503 5.139 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222971811 CEMMBBXYXFWWED-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222992759 FRUUGIJKGWFWQN-XMSQKQJNSA-N 367.533 5.636 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)CCCC2 223018719 LIAXENCYQXRAJX-IERDGZPVSA-N 353.531 5.314 0 40 FKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1cccc(C)c1 224107073 JKUINMHKUDXKKU-UHFFFAOYSA-N 367.489 5.035 0 40 FKAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1Cl 224531221 NNDWKTWLBJEBQY-QGZVFWFLSA-N 373.880 5.079 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(C)c(C)c2)c2ccccc2O1 225126503 XJQAEQWVBMPRDM-HXUWFJFHSA-N 351.490 5.045 0 40 FKAB CC(C)Oc1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225362698 NDVXQJDMTMASLY-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCCCCC1 225660565 PIYYQIQMLUXOHH-UHFFFAOYSA-N 353.890 5.197 0 40 FKAB Cc1cc(OCc2ccc(C(=O)Nc3cccc(C)c3C)o2)ccc1Cl 648365 UCKVHTBYNBMCRY-UHFFFAOYSA-N 369.848 5.690 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)nc2c1 864801 ALAWDROHTDEMCT-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB Cc1ccc2c(-c3oc4c(Cl)cc(Cl)cc4c3C)cc(=O)oc2c1 1448221 OFTRLNSKAXYRJT-UHFFFAOYSA-N 359.208 6.130 0 40 FKAB biogenic CCCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3)cc2oc1=O 1751470 WCQPVSLBCGIBLO-UHFFFAOYSA-N 360.812 5.425 0 40 FKAB CCCCCCOc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774609 NEQCYNAJVMRNCY-UHFFFAOYSA-N 366.457 6.161 0 40 FKAB Cc1nc(Oc2cccc3ccccc23)c2c3c(sc2n1)C[C@H](C)CC3 2679200 URDGJHJNABWEOM-CYBMUJFWSA-N 360.482 6.070 0 40 FKAB O=C(O)c1cc(-c2cccs2)nn1-c1c(Cl)cc(Cl)cc1Cl 3265421 PDTRTGSWJKNBFG-UHFFFAOYSA-N 373.648 5.259 0 40 FKAB CSc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 4134746 AYRAIQKEQUOBTR-UHFFFAOYSA-N 371.512 5.189 0 40 FKAB CC(C)(C)c1cc(O)c2c(c1)Cc1c(nc(-c3ccccc3)[nH]c1=S)O2 4315035 AUKDPJXBIWATRK-UHFFFAOYSA-N 364.470 5.506 0 40 FKAB COc1cc(CNc2ccc3c(c2)oc2ccccc23)cc(OC)c1OC 4412367 RDDIBEACBDRUMA-UHFFFAOYSA-N 363.413 5.224 0 40 FKAB C[C@@H]1CCc2c(sc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)C1 4748035 FGVNBFBHDQJLES-SNVBAGLBSA-N 364.392 5.627 0 40 FKAB C=C/C=C(\C(C)=C(C)C)N(C(=O)NCc1ccccc1)C1=NCCCS1 4966994 RZUBLHLCPIKRRQ-VXLYETTFSA-N 369.534 5.117 0 40 FKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 5125650 DDLPOHNDRBIDPM-LVWGJNHUSA-N 358.372 5.057 0 40 FKAB O=C(Nc1cc(Cl)ccc1F)C1c2ccccc2Oc2ccccc21 6151814 BWALLOFXPSUACG-UHFFFAOYSA-N 353.780 5.355 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(Br)ccc1Cl 6232131 XWCCRNYPORHBMN-UHFFFAOYSA-N 366.686 5.787 0 40 FKAB Cc1ccc(-c2nnn3c2nc(NC2CCC(C)CC2)c2ccccc23)cc1 6738886 SEJIFKYUDVYXGJ-UHFFFAOYSA-N 371.488 5.244 0 40 FKAB Cc1cccc(N[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)c1 9235303 JCLQEDYCXSKMOS-NRFANRHFSA-N 367.851 6.214 0 40 FKAB Cc1c(C(=O)Nc2ccccc2C(C)C)oc2ccc(Br)cc12 12785039 HEJSKBCWZZRKRI-UHFFFAOYSA-N 372.262 5.879 0 40 FKAB c1cncc(-c2nc(N[C@@H]3CCSc4ccccc43)c3ccccc3n2)c1 12798545 YMASEVNNJLHRRD-LJQANCHMSA-N 370.481 5.341 0 40 FKAB Cc1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 14704604 KQHIQEPCPPLWNA-UHFFFAOYSA-N 361.470 5.187 0 40 FKAB CCc1cc(=O)oc2cc(Oc3ncc(C(F)(F)F)cc3Cl)ccc12 15114807 QNADTCPTOQFYJY-UHFFFAOYSA-N 369.726 5.215 0 40 FKAB CCOC(=O)c1cccc(Nc2ccnc3c(C(F)(F)F)cccc23)c1 34925930 NRPWUZPETHJFHY-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(OC(F)F)cc1 40103162 WVKXSHXVYCOAIZ-NSHDSACASA-N 354.784 5.166 0 40 FKAB CCOC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1 41127404 KLMHDEYVHNYLTN-UHFFFAOYSA-N 357.409 5.267 0 40 FKAB CCCCCn1c(SCc2ccccc2C)nc2ccccc2c1=O 67258987 FBWYRCKGEHXLKU-UHFFFAOYSA-N 352.503 5.187 0 40 FKAB CCOc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1 95094986 MEISPMMBHYUWHJ-UHFFFAOYSA-N 359.636 5.437 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(F)cc5)(C4)C2)C3)cc1 100564161 LYJFSIRHPSNREU-RDNZODCXSA-N 363.476 5.611 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219603410 MWVFATPEYAVACY-FOIQADDNSA-N 373.924 5.672 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C 223453421 OLPVUQRQKVUXRR-OAQYLSRUSA-N 371.524 5.888 0 40 FKAB O=C(NC1CCCCC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224924403 PSGOWJAQBUEHCD-UHFFFAOYSA-N 364.420 5.210 0 40 FKAB CCC1(CC)C[C@H](NC(=O)c2cc(Cl)ccc2OC)c2ccccc2O1 225042475 BEKLMWDBKMPXFV-KRWDZBQOSA-N 373.880 5.161 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 225307594 DKYYCYTVTWVKGE-UHFFFAOYSA-N 351.833 5.704 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 225322399 JEJPOQAGNCBTEO-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225866913 BWRISTGLWUHZJN-UHFFFAOYSA-N 366.505 5.410 0 40 FKAB COCc1ccc(N[C@H](C)c2cc(F)ccc2Oc2cccc(F)c2)cc1 1776003775 AIISWGPCDQPTQB-OAHLLOKOSA-N 369.411 6.077 0 40 FKAB C[C@@H](CCc1c(C(=O)O)[nH]c2ccccc12)Oc1cccc2ccccc12 2037875153 KLPYDSNASKSORV-HNNXBMFYSA-N 359.425 5.419 0 40 FKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 852458 IZYANRWPFGRROY-UHFFFAOYSA-N 365.241 5.018 0 40 FKAB Cc1ccc(NC(=O)Oc2cc(C)c(Br)c(C)c2)cc1Cl 1560691 JYPYDEVBRGTJRL-UHFFFAOYSA-N 368.658 5.639 0 40 FKAB CC(C)Oc1ccc([C@@H](CCN[C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 2232733 VVPWCQFDGAMCAV-JPYJTQIMSA-N 373.968 6.608 0 40 FKAB Cn1c(SCc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 3047476 GQBYAOSTIRIVQL-UHFFFAOYSA-N 374.484 6.186 0 40 FKAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 3189435 PPBISYDHOZUVLH-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB CCSc1nnc(NC(=O)c2oc3c(ccc4ccccc43)c2C)s1 3295364 RXDDUCMADXBAET-UHFFFAOYSA-N 369.471 5.110 0 40 FKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(Nc3ccccc3C)s2)cc1 3328693 OXOYUAFPAVVRPD-AWEZNQCLSA-N 369.515 5.262 0 40 FKAB FC(F)(F)c1nc(Nc2ccccc2Cl)sc1-c1ccccc1 3670911 OSQOBRPEXKXXFF-UHFFFAOYSA-N 354.784 6.226 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H]1C[C@H](c2ccccc2)CCC1=O 3851758 CBLGISWYJDCLIC-KQDNOMNESA-N 371.521 5.079 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2)N3)C1 4545525 QZOSEPWFZKOMPW-KBXCAEBGSA-N 354.519 5.718 0 40 FKAB CCN(CC)C[C@@H](O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 5807650 GPLJBFUSTMABDL-JOCHJYFZSA-N 374.528 5.144 0 40 FKAB CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2O)cc1 6022563 PGRYPVLARULFFO-UHFFFAOYSA-N 369.424 5.080 0 40 FKAB Cn1c(-c2c(-c3cccs3)n[nH]c2-c2ccccc2)nc2ccccc21 6909105 AQCMJZFLKFCESP-UHFFFAOYSA-N 356.454 5.359 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 7348811 SLZYKIDPSDEZDB-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB COc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1Cl 7956002 YBMLJPKWPJQXRV-UHFFFAOYSA-N 367.832 5.103 0 40 FKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc3ccccc3c2)cs1 8273427 YJYWLTQFHVKILS-UHFFFAOYSA-N 374.465 5.436 0 40 FKAB CCc1sc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C 9592090 XEKUNDBUVOXFOP-CQSZACIVSA-N 356.516 5.206 0 40 FKAB Cc1ccc(C)c(Sc2ccc(NC(=O)Cc3c(C)noc3C)cc2)c1 9641371 HBYACHWORLLHQT-UHFFFAOYSA-N 366.486 5.241 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12577072 FPMVNRLJBOWVOY-QGFLDLQWSA-N 359.473 5.063 0 40 FKAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)ccc2o1 12586079 ZZIQDCGFWGFZDR-HNNXBMFYSA-N 371.440 5.242 0 40 FKAB CCN(C(=O)c1cc(F)c(Cl)cc1Cl)c1nc2ccccc2s1 14635575 YNCZVRCGBPYQLF-UHFFFAOYSA-N 369.248 5.409 0 40 FKAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)S1 15084703 KVUVEJFJIPKUEZ-GOSISDBHSA-N 355.413 5.345 0 40 FKAB Cc1c(C)n(C2CCCCCC2)c2ncn3nc(Cc4ccccc4)nc3c12 15842418 ATCIQNAPMAFPMK-UHFFFAOYSA-N 373.504 5.182 0 40 FKAB Cc1ccc2sc(/C=C/c3ccc(OCc4cscn4)cc3)nc2c1 24829382 ATUUOCYDOGBZNA-WEVVVXLNSA-N 364.495 5.811 0 40 FKAB O=C(Nc1ccc2c(c1)CCO2)[C@H](Sc1ccccc1)c1ccccc1 31343792 KEPSYPVHTYSUMU-OAQYLSRUSA-N 361.466 5.094 0 40 FKAB Cc1cc(Nc2ccc(F)c(F)c2)n2nc(-c3ccccc3)c(C)c2n1 40216675 UBHMKPVNSXUAMO-UHFFFAOYSA-N 350.372 5.035 0 40 FKAB CCCCN1C(=O)CC[C@H](Sc2ccc(C)cc2)[C@H]1c1ccccc1 65090599 BJNJORPGGUCFBV-RBBKRZOGSA-N 353.531 5.620 0 40 FKAB COc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1OC 78401254 GHNCHURYOXIUIU-UHFFFAOYSA-N 361.228 5.135 0 40 FKAB O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Cc1ccccc1 96026302 LPPMXNISUDCCCD-UHFFFAOYSA-N 350.421 5.058 0 40 FKAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccc(F)cc2)CC3)cc1 96047261 MXUBYYQNMRICNR-UHFFFAOYSA-N 366.524 5.012 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1 98072967 OIBXTVIQOOOHTK-UHFFFAOYSA-N 364.245 5.248 0 40 FKAB CCCC[C@H]1C=C[C@@H](/C=C\CCCCCCCC(=O)O)[C@@H](C(=O)O)C1 104042741 YFZILRWZQWRQFP-PHKCDWSFSA-N 350.499 5.441 0 40 FKAB CCCn1c(-c2ccc(Cl)s2)cs/c1=N/c1ccc(OC)cc1 105756729 BFBPLBMPQRMTAY-HTXNQAPBSA-N 364.923 5.583 0 40 FKAB CC(C)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219450893 RFEUYMQSIPYJOC-UHFFFAOYSA-N 372.468 5.342 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c3c(cccc13)CC2 224289797 WAHOATIOYJRHQQ-MRXNPFEDSA-N 367.448 5.498 0 40 FKAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1cc(C)cc(C)c1C 224606317 VCCAGPUCKXYYLA-UHFFFAOYSA-N 369.505 5.118 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 225801305 ZLLAFDSEQSYFSP-IBGZPJMESA-N 361.844 5.154 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2O1 225866564 KSTUMABTJYCDLO-OAQYLSRUSA-N 365.517 5.435 0 40 FKAB CCn1c(-c2ccc(OC)cc2)csc1=Nc1c(C)cc(C)cc1C 254738766 LISSGTGEURXBCS-UHFFFAOYSA-N 352.503 5.403 0 40 FKAB Cc1noc2nc([C@@H]3CCCN(C[C@@H]4CC=CCC4)C3)cc(C(F)F)c12 257239578 HPYMVKBEFDZIKO-HUUCEWRRSA-N 361.436 5.005 0 40 FKAB Cc1ccc(C)c(NCc2ccccc2OCc2ccc(Cl)cc2)c1 409110025 PTFYGUMWZQZBCE-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 632959 VHFJGDHXXGOBDM-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB CCN1/C(=C/C=C/C=C/c2oc3ccccc3[n+]2CC)Oc2ccccc21 1560646 VAGJCLDZLVQVPR-UHFFFAOYSA-N 359.449 5.070 0 40 FKAB Cc1cc(Cc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 1712788 ZVKQGCBKOWTAMZ-UHFFFAOYSA-N 371.263 6.112 0 40 FKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccccc2s1 2080185 BRGNAOKALWHBOD-UHFFFAOYSA-N 360.866 5.056 0 40 FKAB Cc1csc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cn12 5083704 UUUWJTMBQBGGBD-UHFFFAOYSA-N 367.861 5.277 0 40 FKAB CCCCc1cc(=O)oc2c(C)c(OC/C=C(\C)CCC=C(C)C)ccc12 5543719 QOKACYPYKOSYGE-NBVRZTHBSA-N 368.517 6.516 0 40 FKAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5682308 OOUBOEGWNSXBNF-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSc1ccc(Br)cc1 5738386 OCNYSVFVUMYGKY-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2ccccc2)n1 7264130 ABIGNYCGVWXAPD-UHFFFAOYSA-N 350.487 5.423 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCSc2ccccc21 7269143 IHVCBZPZTVSTDJ-JOCHJYFZSA-N 373.521 5.562 0 40 FKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 9141353 DOJJAYUYXDKCGZ-UHFFFAOYSA-N 360.388 5.449 0 40 FKAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 9141870 DVJJJZIRJBQYNF-UHFFFAOYSA-N 358.441 5.200 0 40 FKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CSc2ccccc2)cc1 10449636 JTSWICIZQNZZSW-QGZVFWFLSA-N 359.494 5.570 0 40 FKAB O=C(/C=C/c1cccs1)Nc1sccc1-c1nc2ccccc2s1 10694864 IJCPHINOFVINIO-BQYQJAHWSA-N 368.508 5.738 0 40 FKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 12193156 UZKJZKFBYKRLEY-ISKFKSNPSA-N 370.452 5.246 0 40 FKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)c(F)c3)cc2)cs1 12564004 YTBDIPZSHCMLLE-ZDUSSCGKSA-N 369.465 5.005 0 40 FKAB Fc1c(-c2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 12612059 VCUAMXIKEPLYNN-UHFFFAOYSA-N 359.469 6.648 0 40 FKAB O=C(Cc1cccc(F)c1)Nc1ccccc1Oc1ccccc1Cl 12817207 JDLFOCUHFYIOFE-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB CN(C(=S)Nc1ccccc1)[C@]1(c2ccccc2Cl)CCCCC1=O 16155615 YGNOYHQATNMCMW-FQEVSTJZSA-N 372.921 5.007 0 40 FKAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1nc(C(C)C)cs1 19714422 JSJYLQNCCKGEDP-UHFFFAOYSA-N 361.467 5.090 0 40 FKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)cc1F 24455333 PPEOZMAGWJATQO-SNVBAGLBSA-N 370.649 5.075 0 40 FKAB COc1ccc(C2(NCc3cnc(-c4ccccc4C)nc3)CCCC2)cc1 57822814 OWUFBPRNXSSTSN-UHFFFAOYSA-N 373.500 5.020 0 40 FKAB CCN(CC)c1ccc(NC(=S)Nc2cccc(Cl)c2C)c(C)c1 71761775 ZYZFBSUTJOAJHY-UHFFFAOYSA-N 361.942 5.612 0 40 FKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC(C)C 72214820 JDJSSMOFFGDTQS-SFHVURJKSA-N 361.530 5.026 0 40 FKAB CCc1ccc([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 78457704 VZHZHLGQPMQDLV-IBGZPJMESA-N 357.497 5.648 0 40 FKAB O=C(N(Cc1ccccc1)c1ccncc1)C1(c2ccc(Cl)cc2)CC1 95457251 HYHNJBSFKNZOEW-UHFFFAOYSA-N 362.860 5.000 0 40 FKAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@@H](c2ccccc2)CC1 211141852 LVZCZRFGOALGAO-QGZVFWFLSA-N 365.420 5.026 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(C)c1 223241346 YJDWZKRQHVTFRX-QFBILLFUSA-N 357.519 5.060 0 40 FKAB Cc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c(C)c1 225563952 YKRMRZOTYWUJMZ-UHFFFAOYSA-N 356.535 5.010 0 40 FKAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253617586 XFQZMLHHLMNCGB-CFRYJQDFSA-N 362.554 5.102 0 40 FKAB Cc1ccc(CNC(=S)c2cccc(OCc3ccc(F)cc3)c2)cc1 408578143 WANCJKJDOGJAEZ-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB COc1ccc(CSCC(=O)Nc2ccccc2-c2ccccc2)cc1 409126406 NWYPNYJAHYHWNR-UHFFFAOYSA-N 363.482 5.234 0 40 FKAB CC(C)C[C@H](N)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1 1772714902 IIVMEMYCGBCSEF-AWEZNQCLSA-N 353.350 5.519 0 40 FKAB O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccsc2)cs1 1889091585 ZJSBLKHLRCZQFW-UHFFFAOYSA-N 363.504 5.024 0 40 FKAB Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 652127 KSISWMXGPJGFRL-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccn3)c3ccccc3n2)c1 674219 VHSLYGRVNDRCDW-UHFFFAOYSA-N 373.843 5.511 0 40 FKAB CC(C)c1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1411895 SDLADHUJGNOIBV-QFIPXVFZSA-N 374.509 5.154 0 40 FKAB CCCCOc1ccc(-c2noc(-c3ccc(OCCCC)cc3)n2)cc1 2068644 UHZXWYZCWQEQBR-UHFFFAOYSA-N 366.461 5.761 0 40 FKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 2427103 TXPCEULWQDEKAR-UHFFFAOYSA-N 356.473 5.791 0 40 FKAB O=C(Nc1ccccc1)c1sc2cccc(OC(F)F)c2c1Cl 2791523 NFCGOIQHYKOENY-UHFFFAOYSA-N 353.777 5.408 0 40 FKAB CCOc1ccccc1NC(=O)[C@H](Nc1cccc(F)c1)c1ccccc1 3340505 SDEQKBVIHDZIKV-OAQYLSRUSA-N 364.420 5.016 0 40 FKAB O=C(O)c1sc2c(c(-c3ccccc3)nn2-c2ccccc2)c1Cl 3885019 LTVJPEXTSVGISH-UHFFFAOYSA-N 354.818 5.106 0 40 FKAB COCOc1cc(-c2cccs2)c(OCOC)cc1-c1cccs1 4114334 VWLCIXJTNCRIPK-UHFFFAOYSA-N 362.472 5.109 0 40 FKAB Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCC[C@H]2C)c1C 4748621 PHZVZDISHXLFIK-CYBMUJFWSA-N 360.498 5.131 0 40 FKAB CC[C@]1(C)C[C@](CCN[C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 5477814 FRRPVDBEADNXFW-IOMROCGXSA-N 351.962 6.002 0 40 FKAB CCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 6220736 YTIMEQQHLDXEBU-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)C(C)C 6588871 LEGCALLNNVUIDU-UHFFFAOYSA-N 352.261 5.997 0 40 FKAB Fc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1 6916607 KUCJCPNTJUNBGH-UHFFFAOYSA-N 359.447 5.013 0 40 FKAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1c(Cl)cccc1Cl 6925648 VDLXECCGCWXOMG-NTUHNPAUSA-N 370.282 5.291 0 40 FKAB O=C(c1cccc(C(F)(F)F)c1)c1c[nH]cc1-c1c(F)cccc1Cl 6925929 ASKUEGXMXJYOQD-UHFFFAOYSA-N 367.729 5.724 0 40 FKAB CCOc1ccc(N(C(=O)[C@@H]2C[C@@H]2C)c2nc3ccccc3s2)cc1 7779830 CAWNACHOWYIRJQ-XJKSGUPXSA-N 352.459 5.016 0 40 FKAB S=C(Nc1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 8992445 FKLGBLMVBUTRLK-UHFFFAOYSA-N 371.893 5.058 0 40 FKAB CC(C)COc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 9141210 GKXWJASTIXFKOH-UHFFFAOYSA-N 360.866 5.237 0 40 FKAB O=C(c1cc2sc3ccccc3c2s1)N1CCC[C@@H](C(F)(F)F)C1 10289646 DWDHNYGGISEYQV-SNVBAGLBSA-N 369.433 5.531 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 11637177 YALINERQOZKHNP-KRWDZBQOSA-N 351.368 5.118 0 40 FKAB Cc1cc(C)cc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c1 11666860 VFQVLQGQCKOXGD-UHFFFAOYSA-N 353.849 5.788 0 40 FKAB Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(Br)c1 13135406 XOTZZCVVYSFPPP-UHFFFAOYSA-N 362.311 5.303 0 40 FKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 13616430 PWCMHOUWWCOYKL-RBBKRZOGSA-N 366.892 5.790 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 15867347 OFTGDQOIGOXEAX-UHFFFAOYSA-N 363.457 5.650 0 40 FKAB Cc1cc(NC2CCCCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585676 MWHKSBITFVRABV-UHFFFAOYSA-N 374.410 5.468 0 40 FKAB CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(Cl)c1 33292564 HYEXWSSMMLZJFS-UHFFFAOYSA-N 369.852 5.210 0 40 FKAB Cc1cc(NCCSc2cc(C)nc3ccccc23)c2ccccc2n1 41105092 XYSLJWMLHUWOBC-UHFFFAOYSA-N 359.498 5.604 0 40 FKAB Cc1nc2ccccc2nc1CSCc1c(Cl)ccc2cccnc12 84057635 NZXQSEJMHGDKTA-UHFFFAOYSA-N 365.889 5.573 0 40 FKAB C[C@H](NC(=O)CCSCc1ccccc1)c1ccc(C(C)(C)C)cc1 218994330 UGYOHZZZLJSDCB-KRWDZBQOSA-N 355.547 5.485 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C 223400578 PXRBSIAIOGJXER-SYVPYPDPSA-N 359.469 5.623 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223438880 HOMTVGAEYUEZEN-HNNXBMFYSA-N 361.466 6.014 0 40 FKAB C[C@H](Cc1cccc2ccccc12)C(=O)Nc1ccc2c3c(cccc13)CC2 224943493 DPNPVGFDVVMPOB-QGZVFWFLSA-N 365.476 5.909 0 40 FKAB Cc1cc(C)cc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)c1 225109719 ANZVLXHFXLFLHX-JOCHJYFZSA-N 362.425 5.170 0 40 FKAB Cc1ccc(SCCNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225368030 PTRNHAAUSQWYOQ-UHFFFAOYSA-N 368.329 5.143 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 226266016 CMAGJRVIVDFFQE-MRXNPFEDSA-N 351.494 5.023 0 40 FKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 408619294 AZEBNPUBTBLBDV-UHFFFAOYSA-N 372.808 5.601 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)c1 408776659 YNNGGGGXEWRIAK-UHFFFAOYSA-N 361.510 5.989 0 40 FKAB COc1ccccc1NC(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12 825299 VSFZBLNKXJSUHZ-BNVTUTKDSA-N 369.464 5.321 0 40 FKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1 839024 UBAQROLQOUEVJK-UHFFFAOYSA-N 368.392 5.802 0 40 FKAB Cc1ccc2oc(CC[C@](C)(O)c3ccccc3)c(-c3ccc(C)o3)c2c1 854331 KGVQDYYCGGJDKE-DEOSSOPVSA-N 360.453 6.150 0 40 FKAB biogenic CC(=O)c1cccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 868193 UAZYCOZCBMLBPG-UHFFFAOYSA-N 367.404 5.324 0 40 FKAB Cc1ccc(Br)cc1SCC(=O)Nc1c(C)cccc1C 938570 YFUCTZQNUPCIAA-UHFFFAOYSA-N 364.308 5.105 0 40 FKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 1892174 KJONGWRWDHHOET-HIXSDJFHSA-N 361.828 5.994 0 40 FKAB Cc1ccc(C)c(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 2667045 OMHPMZYMNSBYCC-UHFFFAOYSA-N 353.421 5.738 0 40 FKAB Clc1ccc(CN2c3ccccc3Sc3cccnc32)cc1Cl 3051216 WGCNSXQXPXXWSI-UHFFFAOYSA-N 359.281 6.191 0 40 FKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccccc1)c1ccccc1 3846320 XWATVSSARMZAFX-GMHONNGPSA-N 364.529 6.017 0 40 FKAB CC(C)c1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)cc1 3896483 ALDJYFBLUCMFHV-UHFFFAOYSA-N 371.488 5.329 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1)C2=O 4073553 BXEKJWVUCNPPSL-UTDNXBNTSA-N 362.557 6.682 0 40 FKAB biogenic COc1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 4075708 BJCSSLYTLGYMQP-UHFFFAOYSA-N 374.465 5.148 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1Cl 4673254 OKSQPSQTHBHYPP-UHFFFAOYSA-N 356.252 5.513 0 40 FKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCC)C1=O 6323837 BOZKXRFWJZVDQL-AQTBWJFISA-N 355.459 5.075 0 40 FKAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(/C=C/c2ccccn2)c1 6652007 ZBHMSXOPKHHACY-ZHACJKMWSA-N 366.823 5.226 0 40 FKAB CCCN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)cs1 6825221 FHXOTPKPDGMGRY-UHFFFAOYSA-N 370.905 5.829 0 40 FKAB CCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 7259617 IPPLJELBSPCXSI-OAHLLOKOSA-N 366.486 5.015 0 40 FKAB C[C@@H]1CCC[C@@H](N2CN(Cc3ccccc3)c3nc4ccccc4n3C2)[C@@H]1C 7499264 FVTHMBPMOXVALS-WOIUINJBSA-N 374.532 5.098 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3N3CCCC3)ccc2c1 7989110 XHSKDYMPPLQKBH-QGZVFWFLSA-N 374.484 5.191 0 40 FKAB c1ccc(-c2csc3ncnc(N4CCC[C@H]4c4cccnc4)c23)cc1 12556432 BBAHHJFZHHRQTN-SFHVURJKSA-N 358.470 5.095 0 40 FKAB O=C(OCC(=O)c1ccc(Cl)s1)c1cccc(Oc2ccccc2)c1 12595321 FNPSBALPKYQOFH-UHFFFAOYSA-N 372.829 5.234 0 40 FKAB Cc1cc(SCc2c(F)c(F)c(F)c(F)c2F)nc2ccccc12 12632347 VIRMXWHMGGWGEY-UHFFFAOYSA-N 355.331 5.531 0 40 FKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 14399293 ZTPRNBDCVFJPBC-NSHDSACASA-N 357.759 5.073 0 40 FKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)cc1 15729333 SONCCRAYUBVBRQ-UHFFFAOYSA-N 359.381 5.126 0 40 FKAB biogenic O=C(O)c1ccc(Cl)c(NC(=O)c2cccc3c(Cl)cccc23)c1 20138952 WMBXXXKPCWRHFV-UHFFFAOYSA-N 360.196 5.097 0 40 FKAB Cc1cc(Br)ccc1-c1ccc(CNCc2ccccc2)o1 20875867 IFVJBHQYXWKOGW-UHFFFAOYSA-N 356.263 5.307 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccccc1Cl 22072786 ICXBORBGCHDYAJ-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB OC1=NC(=S)S/C1=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1 23701945 APQGSCQVDSIQQO-GHXNOFRVSA-N 371.430 5.763 0 40 FKAB Cc1c(Cl)cccc1Nc1c(-c2ccccc2O)nc2cccc(C)n12 35616289 VBNMVRUYTYABOM-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1Cl 40913231 FPAZMKVTQCGUQH-LLVKDONJSA-N 372.679 5.670 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 48277554 AHIUCJIMBTVOKP-INIZCTEOSA-N 371.893 5.077 0 40 FKAB O=S(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 58131554 UWYKHQZBEWFYKV-UHFFFAOYSA-N 366.326 5.173 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC 72215055 SYQKKCGIESNSRO-GOSISDBHSA-N 361.530 5.170 0 40 FKAB CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215506 UTWLGSRGHTVNCG-IBGZPJMESA-N 373.541 5.169 0 40 FKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O 85552712 MMJZTSLHOIGZPU-DOFZRALJSA-N 360.582 7.777 0 40 FKAB endogenous,in-man CCCOc1c(/C=C2\C(=O)Nc3ccc(Cl)cc32)cccc1OCC 96662873 NRRHXDRFUBOXJE-WJDWOHSUSA-N 357.837 5.020 0 40 FKAB Cc1nc2ccc(Cl)cc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100279544 YMBMBLLMGQWUAL-YCRPNKLZSA-N 358.913 5.303 0 40 FKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@H]1c1ccco1 102675079 CCPHXYNGLKRTDR-LRTDBIEQSA-N 350.418 5.092 0 40 FKAB O=C(Nc1ccccc1S)c1sc2cc(Cl)ccc2c1Cl 107904315 FAWRIXZVAHVONN-UHFFFAOYSA-N 354.283 5.749 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccccc1)[C@H]2O 118916256 LZOCUXGUHLCYSF-WGQWKZFNSA-N 364.573 6.474 0 40 FKAB biogenic CC(C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222715160 RTHIHYXCMKZHBX-UHFFFAOYSA-N 368.329 5.989 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222970518 BYHPJYCZUUYQCX-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB COc1ccc(/C=C(/C(=O)NC[C@H](C)c2ccccc2)c2ccccc2)cc1 223427786 RZTVDECZRSWNMM-QUESDIRFSA-N 371.480 5.156 0 40 FKAB CC[C@@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 225630351 LSVDGQVZNUWCPX-CQSZACIVSA-N 366.452 5.261 0 40 FKAB Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@@H]2CCC[C@@H](C)[C@@H]2C)c(F)c1 257173414 MHHRKMAVONKKHN-ZXJYCPGTSA-N 366.480 5.525 0 40 FKAB Cc1cccc(C[C@@]2(C)CCc3cc(-c4cccc(C(=O)O)c4)ccc3O2)c1 257201791 AJBNDJRBHJCARJ-RUZDIDTESA-N 372.464 5.687 0 40 FKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cccc(Oc3ccccc3)c1)OC2(C)C 257340154 ZEUAVYWFUFJYKW-VQRRFNJKSA-N 352.474 5.352 0 40 FKAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 682539 WSGLRDZDSXGVSJ-GOSISDBHSA-N 357.453 5.277 0 40 FKAB c1csc(-c2nnc(Oc3ccc4ccccc4c3)c3ccccc23)c1 952978 SGFQQDPNQAPQHA-UHFFFAOYSA-N 354.434 6.304 0 40 FKAB CC(C)c1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 955100 QZJOJIWSBODLHR-UHFFFAOYSA-N 359.469 5.095 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cc(Cl)ccc1O 955758 PIWVFAJGFRUIOX-UHFFFAOYSA-N 370.836 5.131 0 40 FKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Cl)c1 1064314 UIEROXIDAHVXMZ-RADKVMJMSA-N 373.883 5.822 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 1368484 ACPVJCSDQDXMMX-UHFFFAOYSA-N 361.470 5.187 0 40 FKAB CC(C)OP(=O)(OC(C)C)C(=O)Nc1ccc(Br)cc1 1594222 DFYDIYCQUGLNIB-UHFFFAOYSA-N 364.176 5.024 0 40 FKAB CCc1nc(-c2ccccc2)nc2c1nc(C(C)C)n2Nc1ccccc1 1611296 LKPFWYUHZYUHDI-UHFFFAOYSA-N 357.461 5.054 0 40 FKAB CC(=O)c1cc(F)ccc1Oc1ncnc2scc(-c3ccccc3)c12 3305733 QNQVFAJPWYPMJS-UHFFFAOYSA-N 364.401 5.492 0 40 FKAB O=C(c1ccc(Br)s1)N(Cc1ccccc1)c1ccccc1 3333682 SNCDLPLYFRGCSG-UHFFFAOYSA-N 372.287 5.358 0 40 FKAB COc1cnc(-c2ccccc2)nc1Sc1ccc(Br)cc1 4060860 AMSMEUYEHGTUDM-UHFFFAOYSA-N 373.275 5.066 0 40 FKAB COc1ccccc1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 5880609 QYCZLTNYHOECMS-UHFFFAOYSA-N 374.465 5.153 0 40 FKAB COc1cccc(-n2cnnc2SC(c2ccccc2)c2ccccc2)c1 6039678 MWKVXAXHVBJWDX-UHFFFAOYSA-N 373.481 5.158 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 6138856 VGXFMFGYSRAVPC-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB Cc1c(-c2cc(-c3ccccc3)c3ccccc3n2)sc2ccccc12 6714362 JOLVTJUPPREJQB-UHFFFAOYSA-N 351.474 7.092 0 40 FKAB COc1cc(CNC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 6882543 WTKJIEDLMULFJJ-UHFFFAOYSA-N 368.304 5.469 0 40 FKAB Cc1cc(C)c(NC(=O)Cc2csc(-c3ccccc3)n2)c(Cl)c1 7995692 MVKYZRBTRVSEER-UHFFFAOYSA-N 356.878 5.262 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1OCC 8286545 GWDCQKNEEMXXGE-UHFFFAOYSA-N 368.260 5.433 0 40 FKAB COc1cccc(-c2nn(-c3ccccc3)c(-c3cccc(OC)c3)c2C)c1 17075906 BMTOAEFKKWOIQT-UHFFFAOYSA-N 370.452 5.532 0 40 FKAB Clc1cccc(COc2cccc3ccc(N4CCCCC4)nc23)c1 17170714 UGOSTWLUZPBLSF-UHFFFAOYSA-N 352.865 5.458 0 40 FKAB Cc1cc(C(=O)CSC2=Nc3ccccc3CS2)c(C)n1C(C)C 21627610 BCRJCPRSJBYJSN-UHFFFAOYSA-N 358.532 5.536 0 40 FKAB COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)Cc2ccccc2-3)cc1 27525351 ZIXLNMCHUMINFG-UHFFFAOYSA-N 368.436 5.263 0 40 FKAB Cc1cc(NC2CCCCC2)n2nc(C)c(-c3ccccc3Cl)c2n1 27585491 INAMSJSQYAAJDD-UHFFFAOYSA-N 354.885 5.411 0 40 FKAB CC1(C)C[C@@H](NCC[C@@](C)(Cc2ccccc2)c2ccccc2)CCO1 32074020 KLCPIWBXAYSNQW-UPVQGACJSA-N 351.534 5.124 0 40 FKAB O=C(c1ccc(SC(c2ccccc2)c2ccccc2)nc1)N1CCCC1 32907409 JFAXVSYYGMFZIV-UHFFFAOYSA-N 374.509 5.199 0 40 FKAB C[C@@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1cccs1 36622083 KXMNPEWUKGNALU-MRXNPFEDSA-N 367.539 5.448 0 40 FKAB O=C(CSc1nncc2ccccc12)Nc1ccc(-c2ccccc2)cc1 44156500 PJNXNDXWOFUZQA-UHFFFAOYSA-N 371.465 5.028 0 40 FKAB O=C(C=C1CCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 65827678 GSXAIDJOSBHYHJ-UHFFFAOYSA-N 368.864 5.421 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(CCc1cccs1)C1CC1 75154839 KCSAUEAHOLFIAM-UHFFFAOYSA-N 355.290 5.294 0 40 FKAB CC[C@@H](c1ccccc1)c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194277 ABERMHFZSYRECS-HNNXBMFYSA-N 374.469 5.449 0 40 FKAB Fc1ccccc1COc1ccc2ccccc2c1CNc1ccccc1 106955048 AQHVLZWOAJQBBI-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(C(C)C)cc1 219383271 BFNHYCAQIUAZRU-JOCHJYFZSA-N 367.533 5.333 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223129807 AOQKPIOMIJBAJA-SFHVURJKSA-N 353.506 5.867 0 40 FKAB CCCCc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223133453 UEEQFHKOJRCELV-UHFFFAOYSA-N 360.482 6.044 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224452241 DABHPAGOXFHBGI-OAQYLSRUSA-N 373.452 5.999 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccccc3C)s2)c1 225054484 ZYDWEUSASDYRJC-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225262669 VCILQRFYGYYLJU-UHFFFAOYSA-N 371.440 5.108 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC(C)CC1 225669688 MEIRGWCIJKEKQJ-UHFFFAOYSA-N 361.526 5.344 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1 225710031 FXZLZPKLHYZNRD-KRWDZBQOSA-N 366.452 5.760 0 40 FKAB Cc1ccc(-c2csc3ncnc(Nc4ccc(F)c(Cl)c4)c23)cc1 2889036 HFTFGXWQQHFVJQ-UHFFFAOYSA-N 369.852 6.203 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 3236450 FQJPMFDZZPTGQU-UHFFFAOYSA-N 361.489 5.313 0 40 FKAB Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 4613406 XFABZIDJJPVXLI-UHFFFAOYSA-N 362.432 6.270 0 40 FKAB CCSc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 6439971 REMSIAMIIPGFJU-UHFFFAOYSA-N 360.693 6.011 0 40 FKAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 6602100 KJZXFLMCHOUMNZ-VIFPVBQESA-N 362.178 5.503 0 40 FKAB Fc1ccccc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2F)o1 6825398 FWWVXVRJALLZIM-LJQANCHMSA-N 363.367 5.216 0 40 FKAB Cc1ccc(N(C(=O)c2ccncc2)c2nc3ccccc3s2)cc1F 7987758 OMUDKTLUCSPDJC-UHFFFAOYSA-N 363.417 5.117 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 8480653 HNKUBBQCSDRAIZ-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB O=c1c2c(-c3ccc(-c4ccccc4)cc3)ccnc2[nH]n1-c1ccccc1 8560232 ZZUKFZMYQLIARB-UHFFFAOYSA-N 363.420 5.048 0 40 FKAB COc1ccc(N(Cc2cccs2)C(=O)c2ccc(Cl)cc2)cc1 11916244 QNFSNSTVTVZMQC-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB COc1ccc(-c2csc3ncnc(N[C@@H](C)c4cccs4)c23)cc1 12981929 SAAORASYVPMRJC-LBPRGKRZSA-N 367.499 5.602 0 40 FKAB C[N+]1=C(/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 15022469 IGKHMEOCUZSGPT-JYFOCSDGSA-N 370.540 5.511 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20036906 DMGXWXJAUNOFCS-YADHBBJMSA-N 369.505 5.065 0 40 FKAB CC(=O)N(CCC(C)(C)Cc1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 32097381 FPJNJVMOLFTEQA-LJQANCHMSA-N 365.945 5.105 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccccc2)o1 39851060 FIVUZEHZEHHZBO-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCCCCC2)s1 71326529 ZQEQRPAGKATFGC-UHFFFAOYSA-N 357.523 5.210 0 40 FKAB Cc1oc(C2CCN([C@@H](C)c3ccc(F)cc3)CC2)nc1-c1ccccc1 72304924 DESFETUWJFVYKZ-INIZCTEOSA-N 364.464 5.730 0 40 FKAB C[C@@H]1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC(C)(C)C1 72324085 PYBYTHWIXNGPQO-WKVNBUBUSA-N 373.581 5.059 0 40 FKAB biogenic CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 78458235 FOBSYSFGAZUKGG-QZTJIDSGSA-N 353.506 5.326 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1cc(C(F)(F)F)ccc1Cl 98073294 YYSVASSVECAKDO-UHFFFAOYSA-N 353.771 5.490 0 40 FKAB CCOc1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 100726707 BTLFXIWYOFKUOL-QMHKHESXSA-N 368.521 5.048 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225588560 BHEWDUUQGHCQBP-UHFFFAOYSA-N 374.575 5.251 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1Cl 226271652 FIHZJALQYOGFBY-UHFFFAOYSA-N 368.742 5.266 0 40 FKAB CCc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1 226286268 MPFYRNIVSHGVBP-UHFFFAOYSA-N 368.436 5.526 0 40 FKAB C[C@H]1SC2(CCCCC2)N(c2ccc3c(c2)oc2ccccc23)C1=N 226760258 QQDSCOSRVXFLHL-CQSZACIVSA-N 350.487 6.165 0 40 FKAB O=C(Cc1ccccc1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1 257200303 ACUQAFFALUGRON-QHCPKHFHSA-N 374.459 5.184 0 40 FKAB CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408572548 JUQXFQSBBJLOJV-FYWRMAATSA-N 374.440 5.193 0 40 FKAB CCOc1ccc(CNc2ccc(Br)cc2C)cc1Cl 408607231 JESXOIMCAUOYPJ-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)C3CCCC3)c2)c1C 1006514 CWRZDWYWDDBKNZ-UHFFFAOYSA-N 370.880 5.338 0 40 FKAB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 1268185 QKHICUMLQKTRRC-UHFFFAOYSA-N 362.395 5.256 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2081667 CQHOSKYFUCYHQK-FQEVSTJZSA-N 367.901 6.121 0 40 FKAB Cc1cc2c(cc1C)CSC(c1cc(Cl)cc(Cl)c1O)SC2 2160514 OXPZUFNAACKDRS-UHFFFAOYSA-N 371.354 6.495 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 2239148 MTRDNKUQBVYQBY-UHFFFAOYSA-N 371.440 5.440 0 40 FKAB Cc1cc(C)cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1 3273343 BTXIEMFOCMFEHM-UHFFFAOYSA-N 374.815 5.101 0 40 FKAB CCOC(=O)c1c(C2CC2)csc1NC(=S)Nc1ccc(C)cc1C 3310237 IWWICKMRPNAATM-UHFFFAOYSA-N 374.531 5.228 0 40 FKAB Cc1ccc(Cl)c(O[P@@](C)(=O)Nc2cc(Cl)ccc2Cl)c1 5277217 PRIZEVYZSGJATN-OAQYLSRUSA-N 364.596 6.269 0 40 FKAB Cc1ccc(-n2ncc3c(SCc4cccc(Cl)c4)ncnc32)cc1 5478515 FCBVRSIARFWHBL-UHFFFAOYSA-N 366.877 5.070 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 6593375 HBEZHZWLZYMPAO-UHFFFAOYSA-N 368.260 5.352 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 7073175 KKVVUXSJRZKOJN-GFCCVEGCSA-N 374.893 5.481 0 40 FKAB CCc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 7094290 NQGHHNLBQJBXAE-UHFFFAOYSA-N 354.302 5.428 0 40 FKAB O=C(c1cc2ccccc2o1)N(CCc1cccs1)Cc1cccs1 8156682 SXAWIWJHJZKXSF-UHFFFAOYSA-N 367.495 5.441 0 40 FKAB CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(Cl)cc1 8586609 CNQHNDJBTWSIBN-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB Cc1nc(-c2ccc(NC(=O)c3cc(C)n(C4CC4)c3C)cc2)cs1 10275713 WOFPRVOKGJCQSA-UHFFFAOYSA-N 351.475 5.124 0 40 FKAB CC(C)CN[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 11617145 NIUIUSQEYIIYEC-CSNZXNIXSA-N 351.471 5.228 0 40 FKAB CCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 12561958 BQUOKEKSWAUABQ-UZYVYHOESA-N 363.313 6.166 0 40 FKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)Cc2ccccc2-4)C1 12610387 YOQXNFPCJHUYGU-ZDUSSCGKSA-N 357.478 6.252 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(F)cc3C)s2)cc1 12972907 PBTNFIDVUZVSOZ-UHFFFAOYSA-N 370.449 5.039 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1-c1ccccc1 13708640 HBNXRWIPGJSRQO-SFHVURJKSA-N 367.448 5.913 0 40 FKAB O=C(CCCCCCCCC(=O)NC1CCCCC1)NC1CCCCC1 14775491 CGIXSLUETKYERU-UHFFFAOYSA-N 364.574 5.005 0 40 FKAB O=C(Nc1cccc2ccccc12)c1cccc(OCc2ccccc2)c1 14796011 YEKPBKTZOYMFGK-UHFFFAOYSA-N 353.421 5.671 0 40 FKAB CCOc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(Cl)ccc1O2 20380632 LCAZOZYWXDTGPL-UHFFFAOYSA-N 370.861 5.555 0 40 FKAB Cc1ccc([C@@H]2Nc3c(sc4ncccc34)C(=O)N2c2ccccc2)cc1 22607248 QYDSSJULKJCOFW-HXUWFJFHSA-N 371.465 5.376 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 30859485 IJKKGIMSKCPTDA-HNNXBMFYSA-N 357.519 5.502 0 40 FKAB Cc1ccc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1C 32976239 WTGXTFYNRQVLKR-UHFFFAOYSA-N 356.878 5.262 0 40 FKAB Cc1ccc(C(=O)CCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1C 40056866 QKDBFECRMSJNRD-QGZVFWFLSA-N 363.457 5.232 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1CCc1ccccc1 44884216 QIEBROCIPJFJQL-UHFFFAOYSA-N 363.888 5.397 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1Oc1ccccc1 72212227 HSLYOZHPFPQYJN-GOSISDBHSA-N 354.450 5.336 0 40 FKAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217248 JWCGDYDVLVZYAZ-HXUWFJFHSA-N 366.530 5.484 0 40 FKAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 89356180 AUCDJTBPCBHQCS-GOTSBHOMSA-N 359.444 5.255 0 40 FKAB O=C(Nc1ccccc1Cl)N1CCS[C@H](c2ccccc2F)CC1 219141008 GLCWTXRELKWZBH-KRWDZBQOSA-N 364.873 5.191 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219331996 KBOKODJQVZUUDB-YADHBBJMSA-N 353.506 5.345 0 40 FKAB O=C(c1cccc2ccccc12)N1CCS[C@H](c2cccs2)CC1 219482605 WJRDITKWJQAULY-IBGZPJMESA-N 353.512 5.222 0 40 FKAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219557046 FWBBXDUQNZHUHV-APWZRJJASA-N 369.505 5.028 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223106002 UEJNKWDFBRMOFN-PGRDOPGGSA-N 365.517 5.217 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1 224924552 PNJOOIOUHRWCJZ-JOCHJYFZSA-N 374.484 5.236 0 40 FKAB CC(C)OC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496695 NRAWSRCSSGZPRO-UHFFFAOYSA-N 360.457 5.036 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(C)n2)c2ccccc2)c(C)c1 225769569 HWMAODTZCQWBJH-NRFANRHFSA-N 361.514 5.083 0 40 FKAB Cc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1N 226303188 FJVBSEUFHKAWJX-UHFFFAOYSA-N 360.501 5.297 0 40 FKAB CC(C)c1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354918 JHDWTNSIEBCUEX-UHFFFAOYSA-N 352.217 5.067 0 40 FKAB Cc1ccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)nc1 257336852 YQHHZIQWMWOZGF-QHCPKHFHSA-N 372.468 5.092 0 40 FKAB CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccccc1 408559682 AYRFRORDLGANRU-XDOYNYLZSA-N 370.905 5.193 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 408629354 YEGQVDGNGKUGRC-UHFFFAOYSA-N 369.420 5.275 0 40 FKAB CCOc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408994878 HLJRZHDJKPBDBM-IQUZMVKNSA-N 363.457 5.080 0 40 FKAB CC1(C)C[C@@]2(CCCN2C(=O)CC2CCCCC2)CN1c1cccc(F)c1 1615124403 WUOQPWLHYCPBGN-QHCPKHFHSA-N 372.528 5.146 0 40 FKAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cccc2ccccc12 1775977513 ISVOPZMKMPMXDH-OAQYLSRUSA-N 373.477 5.032 0 40 FKAB CCCCC/C=C\C/C=C\CCCCCCC(=O)NCCc1ccccc1 2061000426 LXVWGCAWBKUEGN-HZJYTTRNSA-N 369.593 6.769 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Oc3ccc(Cl)c(C)c3)sc2c1 676771 KBTIDHFVZLNFRP-UHFFFAOYSA-N 367.253 5.744 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc(F)c1 840606 JYFLTGHNNDDCPB-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB O=C(Nc1ccc2oc3c(c2c1)CCCC3)c1cccc(C(F)(F)F)c1 1428806 NCXUBUYLZDBTCV-UHFFFAOYSA-N 359.347 5.583 0 40 FKAB Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCC3 1465344 WCWNIKTZYCDNLG-UHFFFAOYSA-N 350.274 5.539 0 40 FKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 1516975 YNXCMMQKVRXFRQ-JTQLQIEISA-N 353.224 5.506 0 40 FKAB Cc1cccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)c1 1826673 QUZPLJHUQHSNKN-UHFFFAOYSA-N 362.476 6.137 0 40 FKAB CC(C)c1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 2767942 GYBBXNNUGGBRDV-UHFFFAOYSA-N 370.452 5.548 0 40 FKAB Cc1cc(C)c(C(=O)COc2ccc(Br)cc2Cl)c(C)c1 3363994 CHIXCKOLKWGFQJ-UHFFFAOYSA-N 367.670 5.289 0 40 FKAB CC(C)(C)c1ccccc1Oc1ncnc2sc(-c3ccccc3)cc12 3438587 FIDOHVWXUNQERK-UHFFFAOYSA-N 360.482 6.448 0 40 FKAB Clc1ccc2nc(-c3ccc(Cl)s3)c(NC3CCCCC3)n2c1 3911553 CJQLHNPOKNBPED-UHFFFAOYSA-N 366.317 6.114 0 40 FKAB CCCCCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 4438615 LEYRJZDTMSMPRQ-UHFFFAOYSA-N 372.559 5.736 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 6053031 GGKHGWPPNMZYDE-SFHVURJKSA-N 367.448 5.913 0 40 FKAB CCCC(=O)c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12 6203110 WVFVRXJVMWMIDA-UHFFFAOYSA-N 363.501 6.135 0 40 FKAB CCOc1ccc(OCC)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 6844892 NYBKSHFWWSGUOI-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Cc1ccc(Cn2c3ccccc3n3cc(-c4ccc(F)cc4)nc23)cc1 8465614 MBZOVZMNTRRMKG-UHFFFAOYSA-N 355.416 5.452 0 40 FKAB CCCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 9204482 LIZUVFNRLJSDMP-UHFFFAOYSA-N 369.486 5.363 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1Cl 12311620 OWEBFZXNUKFGSR-UHFFFAOYSA-N 373.843 5.511 0 40 FKAB Cc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 12529536 GWLIFISPLWYROW-UHFFFAOYSA-N 373.481 5.416 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)Nc3ccccc3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12652670 GFPXAFZFUGVACR-HFKUYRRBSA-N 357.494 5.269 0 40 FKAB Cc1ccc(OCc2nnc(SCc3ccccc3Cl)o2)cc1C 19927989 XTOOWDLCQWBCQI-UHFFFAOYSA-N 360.866 5.211 0 40 FKAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1csc2ccccc12 24831739 SFRPCPMMBMGWLN-UHFFFAOYSA-N 353.777 5.408 0 40 FKAB COC1CCC([C@@H](C)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)CC1 27666499 VXABSJFGYZTECR-WGYUTPKQSA-N 373.581 5.087 0 40 FKAB CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 30857714 KEBKMWJCPFNZJR-VWLOTQADSA-N 371.524 6.112 0 40 FKAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)no1 46897069 MGIPBPFBWGZXLT-RBUKOAKNSA-N 355.482 5.007 0 40 FKAB CCCC(CCC)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 59313470 JQEUIXGZSMCSRA-UHFFFAOYSA-N 370.880 6.303 0 40 FKAB O=C([C@H]1CCCc2ccccc21)N(Cc1ccccc1C(F)(F)F)C1CC1 71800808 ZLFNNDCERXKLMD-IBGZPJMESA-N 373.418 5.317 0 40 FKAB Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(Cl)c2)cc1 97105789 DUAKTEJTTGDYHU-LJQANCHMSA-N 364.832 5.233 0 40 FKAB c1ccc(C(=C2CCCCCCCCCCCCC2)c2ccccc2)cc1 104097502 JYDJAMGOWYLPRZ-UHFFFAOYSA-N 360.585 8.573 0 40 FKAB Cc1ccccc1CNC(=O)c1cccc(OCc2ccccc2Cl)c1 219837826 AAVYFWSVQQFDBD-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(OC2CCCC2)cc1 222674301 CEIRRCQHIBHFOK-UHFFFAOYSA-N 359.469 5.733 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(Cl)c1 225677143 KIHTZEXXLOHSKC-INIZCTEOSA-N 360.910 5.237 0 40 FKAB CCN(CC)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1Br 226332121 DZAJJCRXESDDHW-UHFFFAOYSA-N 373.294 5.720 0 40 FKAB Clc1cc(Cl)c2[nH]c(Cc3ccc(Br)cc3)nc2c1 226342850 JNOGSPGACBFZNM-UHFFFAOYSA-N 356.050 5.223 0 40 FKAB CC[C@H](F)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817334 WOAHNCOAJLHCEZ-IBGZPJMESA-N 373.471 6.554 0 40 FKAB in-vitro O=C(Sc1nnc(-c2ccccc2Cl)o1)c1cccc2ccccc12 408585827 JBXAVVUOJPNFLM-UHFFFAOYSA-N 366.829 5.476 0 40 FKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CCCc1ccccc1 409141296 IAPKUJWWHUBOLP-GHRIWEEISA-N 357.862 5.009 0 40 FKAB CC(C)CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C 575473138 HSFFJGLNCRILIN-AWEZNQCLSA-N 355.478 5.134 0 40 FKAB COc1ccc([C@H](CC(=O)c2ccccc2)SCc2ccco2)cc1 943349 BWOHZFINSMDVCU-NRFANRHFSA-N 352.455 5.536 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 1045478 SUCJFJNWOSPEFR-UHFFFAOYSA-N 364.314 5.533 0 40 FKAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 1654574 PFCVPDHSSAWHDG-QGTPRVQTSA-N 355.478 5.313 0 40 FKAB Clc1nc(Oc2ccccc2Cl)nc(Oc2ccccc2Cl)n1 1657288 KWGGFSBFIIFECJ-UHFFFAOYSA-N 368.607 5.416 0 40 FKAB Cc1ccc(S(=O)(=O)Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 2187243 DCGWTAZPARDMCZ-UHFFFAOYSA-N 360.519 5.358 0 40 FKAB CCCCCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 2190233 YNCJLNZHAJDWHW-UHFFFAOYSA-N 353.796 5.440 0 40 FKAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(Oc2ccccc2)cc1 2948383 MIDOUHPCKXHIJV-NRFANRHFSA-N 365.429 5.397 0 40 FKAB Cc1cccc(Oc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)c1 3277202 PKYLUFMBDUZYTJ-UHFFFAOYSA-N 354.409 5.588 0 40 FKAB COc1ccc(OC(=O)c2cc(F)c(F)cc2Cl)c(C(C)(C)C)c1 3353710 TVAQSPXAUMMHOH-UHFFFAOYSA-N 354.780 5.144 0 40 FKAB Clc1ccc(C2=Nc3ccc(Cl)cc3C(c3cccs3)=NN2)cc1 4168571 NSNTVIABKNXOSB-UHFFFAOYSA-N 372.280 5.489 0 40 FKAB Cc1ccccc1CN(c1c(C)cccc1C)S(=O)(=O)c1ccccc1 4723976 NHWVYKGAOUPYEJ-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CSc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)cc1 4733730 KEJLYGTYXVNGOW-UHFFFAOYSA-N 359.498 6.084 0 40 FKAB CSc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 5222532 SVAPBYLAMLOPKZ-UHFFFAOYSA-N 360.891 5.438 0 40 FKAB CC(C)c1cc(Nc2ccc(N(C)C)cc2)n2ncc(-c3ccccc3)c2n1 5240827 KIFRJQALVMABRC-UHFFFAOYSA-N 371.488 5.329 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7367054 KUUSJGJXDRAGHA-UHFFFAOYSA-N 374.509 6.179 0 40 FKAB O=C(Nc1ccccc1SCc1cccc(F)c1)c1ccc(Cl)cc1 9038892 BZIWJNNANSYVJK-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB CCCCCOc1ccc(NC(=O)c2cccc(Br)c2)cc1 9235266 SJGGFMILFPYRJB-UHFFFAOYSA-N 362.267 5.270 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](C)Sc2ccccc21 17525432 VJBQLSUWQHPEQI-AWEZNQCLSA-N 364.470 5.181 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c(Cl)c1 19202997 ZMSHJDMHHGJIOC-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)c1C 20796589 WUBINLVNDQRTNA-ZDUSSCGKSA-N 363.436 5.137 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)c(C)c1 38651971 QIEXPDOPEMHXKE-UHFFFAOYSA-N 359.498 5.614 0 40 FKAB CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214863 BRVWSOQKNJLNMK-GOSISDBHSA-N 361.530 5.169 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 78458565 LQSYOJGRUXKTPH-VGSWGCGISA-N 361.485 5.437 0 40 FKAB O=C(Nc1cccnc1)c1oc2ccccc2c1CSc1cccs1 95381726 ORYOSKZIHXMIDN-UHFFFAOYSA-N 366.467 5.434 0 40 FKAB Cc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 101248905 RXTOHJPXYMTCMS-HSZRJFAPSA-N 364.452 5.310 0 40 FKAB CCC[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105364029 VBWAQBZDGGCZAO-AKWHDMJJSA-N 363.542 5.079 0 40 FKAB biogenic CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223492729 BWQBUUIJXKWONP-DENIHFKCSA-N 353.506 5.264 0 40 FKAB Cc1cccc([C@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2)c1 224163691 ROIHTMYNOULLFV-HXUWFJFHSA-N 353.824 5.307 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cc(C)ccc2C)cc1 225496802 HKIFMBDWTJNUKB-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1[C@@H](C)CCC[C@@H]1C 226330343 WLGWXDFQCBCHQO-GJZGRUSLSA-N 371.912 5.250 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Cl)cc1)N2 247438791 WRQLDKYQGFAFGI-NFKIQKPMSA-N 353.849 5.335 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 408581119 UUYCAKNUNDKJJH-UHFFFAOYSA-N 350.487 5.550 0 40 FKAB O=C(Nc1cccc(Br)c1)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 974494 KVFSWFSBUJJKAD-AEJYPDECSA-N 374.322 5.716 0 40 FKAB COc1ccccc1C1=N[C@H](c2c(Cl)cc(Cl)cc2Cl)N=C1C 1386253 QPXXWHAEAOSNHZ-QGZVFWFLSA-N 367.663 5.618 0 40 FKAB CC(C)Oc1ccc([C@@H](CCNCc2ccccc2)c2ccccc2)cc1 1837435 JVBCOQSAKYKBSZ-VWLOTQADSA-N 359.513 5.786 0 40 FKAB biogenic CCO[P@@]1(=O)C(c2ccccc2)=C(C(=O)OC)C[C@@H]1c1ccccc1 2266024 LDDAIZZDLBKFJB-IQGLISFBSA-N 356.358 5.030 0 40 FKAB CCc1nc(Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1 2407128 ROKUCYPTQPFYKI-UHFFFAOYSA-N 358.228 5.989 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(c2ccccc2)CCCC1 2512719 PQNUZWMGGIRMQW-UHFFFAOYSA-N 367.798 5.809 0 40 FKAB CCOc1ccccc1NC(=O)c1oc2ccc(Br)cc2c1C 2638850 QPDHRUJDGPJUQF-UHFFFAOYSA-N 374.234 5.155 0 40 FKAB Cc1ccc2c(Cl)c(-c3nnc(-c4ccc(C(C)C)cc4)o3)sc2c1 2753551 SXQUDJOVQRDQRF-UHFFFAOYSA-N 368.889 6.704 0 40 FKAB O=C(NCc1cccs1)c1sc2cccc(OC(F)F)c2c1Cl 2791200 HPWWHCMOPGVXNM-UHFFFAOYSA-N 373.833 5.148 0 40 FKAB COc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2C)cc1 3447302 UHFIILZSCCFZQL-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 6927304 GDQCFDQJJBQMNP-UHFFFAOYSA-N 355.359 5.225 0 40 FKAB Cc1ccc(C)c(SCC(=O)NCCc2ccc(Cl)cc2Cl)c1 7015678 RYHLQFQFJFEONH-UHFFFAOYSA-N 368.329 5.061 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7684308 UMYTZMVUKBKTAT-UHFFFAOYSA-N 359.800 5.723 0 40 FKAB O=C(Nc1cccc(Cl)c1F)c1ccc(-n2cnc3ccccc32)cc1 12551134 CVDQSQJHLKQSIL-UHFFFAOYSA-N 365.795 5.070 0 40 FKAB O=C(Nc1cccc(-c2nc(-c3ccccc3Cl)cs2)c1)C1CC1 12817729 WDABKMCGCAGFAP-UHFFFAOYSA-N 354.862 5.479 0 40 FKAB O=C(CSCc1cccc(F)c1)Nc1ccc(-c2ccccc2)cc1 14075258 WJKVUDIUPQBJQB-UHFFFAOYSA-N 351.446 5.365 0 40 FKAB CCOc1cccc(NCCCCOc2ccc(Cl)cc2Cl)c1 19738382 XBBXDIHIBTYDNS-UHFFFAOYSA-N 354.277 5.663 0 40 FKAB CC[C@@H](C)n1nc(NC(=O)c2ccccc2C)c2cc3cc(C)ccc3nc21 21596598 WAOXXRLPNLWHCJ-MRXNPFEDSA-N 372.472 5.425 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@@H](C)C5)CC[C@H](C)C3)c1 23292905 PBZATMMGISRVBB-JKSUJKDBSA-N 361.554 6.521 0 40 FKAB CC(C)(C)c1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 27742428 ZAEKDVUPSXLEBU-UHFFFAOYSA-N 350.487 5.288 0 40 FKAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(-c2ccccc2)cc1 32972070 OIIDQGPUSKRKHC-HNNXBMFYSA-N 361.407 5.086 0 40 FKAB C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(F)cc1 38753062 NQVGADJMHFWEHH-INIZCTEOSA-N 365.473 5.609 0 40 FKAB CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1ccco1 40146394 WKMBWSZQRWHRRZ-IBGZPJMESA-N 355.384 5.352 0 40 FKAB Cc1ccc2c(c1C)O[C@H](C)C=C2COc1ccc(-c2ccccc2)cc1 41105104 UDJODLSTOKCENF-GOSISDBHSA-N 356.465 6.214 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)C(F)(F)F 57316771 RXVVLFJBJBJBHR-UHFFFAOYSA-N 356.303 5.149 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57412591 QBTSJLJEYKILHC-UHFFFAOYSA-N 366.635 5.289 0 40 FKAB Fc1cc(CNc2nc3ccccc3s2)ccc1Oc1cccnc1 58363348 NRSQUUGPSJOUED-UHFFFAOYSA-N 351.406 5.235 0 40 FKAB O=C(Nc1cccnc1Cl)N1CC=C(c2cccc3ccccc23)CC1 63784378 IPBUOGSGENGDES-UHFFFAOYSA-N 363.848 5.209 0 40 FKAB Cc1cccc(-c2csc(C(=O)Nc3ccccc3)c2-n2cccc2)c1 64472493 BZKGBOYJVGVGDK-UHFFFAOYSA-N 358.466 5.767 0 40 FKAB Cc1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Br 95067938 VPNGPIOUDGOCOT-UHFFFAOYSA-N 373.172 5.420 0 40 FKAB Brc1cc(-c2cccc3ccccc23)sc1Br 198733708 VYOMBIFYOCDNGU-UHFFFAOYSA-N 368.093 6.093 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1OC 223434762 QTOQMKABSMZXFK-IBGZPJMESA-N 373.880 5.024 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C 223454092 LYMWUVBKFUTTPX-MOPGFXCFSA-N 361.485 5.410 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465430 SWAGHTVUODJJRW-OXJNMPFZSA-N 359.897 5.300 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl 225367881 ZLLRJTUBMXMEKC-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CC(C)C[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1 225495078 KCCCKYIDTUOKIQ-HXUWFJFHSA-N 356.535 5.548 0 40 FKAB Cc1cc(C)cc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225502610 IEBLSTLWDKVEPN-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257348799 IYZAKBWNGQBORB-XRXSLLSESA-N 360.538 5.168 0 40 FKAB CCn1c2ccccc2c2cc(/C=C3\Sc4ccccc4NC3=O)ccc21 409102673 VVHXRYOFMGNBDE-HMAPJEAMSA-N 370.477 5.900 0 40 FKAB CCCCN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 409135375 UQWUZXBIBCQOKT-WQRHYEAKSA-N 356.491 5.134 0 40 FKAB Clc1ccc(CSc2nnc(-c3sccc3-n3cccc3)o2)cc1 1398817 BIWVOIIPQBQERK-UHFFFAOYSA-N 373.890 5.535 0 40 FKAB Cc1cc(C)cc(NNc2cc(Br)cc(Br)c2)c1 1675950 JOESANGUNBNQIG-UHFFFAOYSA-N 370.088 5.267 0 40 FKAB CSc1nc(Cc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 2055588 QMIYNFKVHPIOGP-UHFFFAOYSA-N 372.537 5.824 0 40 FKAB Cc1ccc(/C=C/c2ccc3cc(/C=C/c4ccc(C)cc4)ccc3c2)cc1 2077602 ODKIWJAGLCRIFJ-PHEQNACWSA-N 360.500 7.797 0 40 FKAB COc1ccccc1/C=C/C(=O)Nc1nc2c(ccc3ccccc32)s1 3333292 ZBSIBCBTLZXEKB-ACCUITESSA-N 360.438 5.110 0 40 FKAB O=C(Nc1cccc2ncccc12)c1ccccc1CCc1ccccc1 3422901 HCIOPTXHYWQIPH-UHFFFAOYSA-N 352.437 5.272 0 40 FKAB Cc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 4971315 HOZRATRSWZCQDC-UHFFFAOYSA-N 364.445 5.451 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccc(-c2ccc(Br)cc2)o1 5945101 JDJCBPSBDYKSHJ-UHFFFAOYSA-N 361.622 5.594 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6288831 YLXSFZYBJIQIPK-UHFFFAOYSA-N 357.759 5.398 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc4ccccc4c3)cc2)cc1 6479761 KLPQJPGJNDAIAK-UHFFFAOYSA-N 368.432 5.946 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 6970222 XOAICDOKVNWZHG-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OC(F)F 7765728 OCHUZGPXOCKRQX-UHFFFAOYSA-N 369.367 5.216 0 40 FKAB O=C(CSc1cc(F)ccc1F)Nc1ccccc1Cc1ccccc1 7920791 XTUVDSRSLMGRMX-UHFFFAOYSA-N 369.436 5.286 0 40 FKAB CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8325934 FQOAJXPMPUGMLZ-GFCCVEGCSA-N 372.723 6.114 0 40 FKAB CCN(CC)CCC[C@@H](C)Nc1nc(-c2ccccc2)nc2ccccc12 8603356 CPLFUAYNZKWBMW-GOSISDBHSA-N 362.521 5.219 0 40 FKAB Cc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2c1C(=O)C[C@H](C)C2 10156865 MBYRJLDFZHGROV-CQSZACIVSA-N 359.429 5.086 0 40 FKAB CC(C)Sc1nc2ccccc2n1Cc1csc(-c2ccccn2)n1 12525360 GPGYQXBCNBJLDC-UHFFFAOYSA-N 366.515 5.104 0 40 FKAB Cc1cc(Nc2ccc3c(=O)c(Oc4ccc(F)cc4)c(C)oc3c2)no1 12550519 NMSFDXUMVRRGHZ-UHFFFAOYSA-N 366.348 5.073 0 40 FKAB CC(C)[C@@H](NCc1noc(-c2ccccc2Cl)n1)c1ccc(F)cc1 12777638 LDRDENZIZZBTNS-GOSISDBHSA-N 359.832 5.016 0 40 FKAB CCc1ccccc1NC(=O)c1sc(COc2ccc(C)cc2)nc1C 12975016 HPQAOCDKQHKXKL-UHFFFAOYSA-N 366.486 5.154 0 40 FKAB O=C(CCc1nc2ccccc2s1)N[C@@H](c1ccc(Cl)cc1)C1CC1 12999455 DSQWMSHSTARAQN-HXUWFJFHSA-N 370.905 5.150 0 40 FKAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1cccc2ccccc12 14131929 SXJATHFITJZWHC-GZTJUZNOSA-N 351.452 5.138 0 40 FKAB Cc1cc2oc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c(C)c2cc1Cl 15833237 YIMGYVDNISAHBN-VIFPVBQESA-N 374.893 5.537 0 40 FKAB c1ccc(CCNCc2c(OCc3ccccc3)ccc3ccccc23)cc1 16479308 YKKQQABZFACNEE-UHFFFAOYSA-N 367.492 5.751 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)c2cnn(Cn3ncc4c3[C@@H](C(C)C)CC[C@H]4C)c21 18285107 GSTLFXOMMNFYHO-QGFMHUBQSA-N 368.569 5.859 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20110421 SJIBUBZOPPTZPN-OAHLLOKOSA-N 371.786 5.463 0 40 FKAB c1cnc2cc([C@@H]3O[C@H]4CCCC[C@@H]4c4cc5c(cc43)OCO5)ccc2c1 20436652 WQWAUEKHCKFPIR-CGYQNGNCSA-N 359.425 5.109 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1C[C@H](c2ccccc2)CCC1=O 24737571 CBLGISWYJDCLIC-QKYBYQKWSA-N 371.521 5.079 0 40 FKAB CC[C@H](C)c1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1 31903348 SFVYAAMRTVAEHZ-SFHVURJKSA-N 370.496 6.274 0 40 FKAB Cc1csc(N(C(=O)[C@H](C)SCc2ccccc2)c2ccccc2)n1 40140450 DTVOLVIBRUENHZ-INIZCTEOSA-N 368.527 5.438 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)no2)cc1 61997113 BMOKLAKADRAVGX-UHFFFAOYSA-N 364.445 5.390 0 40 FKAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 219301118 XZRLFHLEJWKWCT-LJQANCHMSA-N 367.533 5.450 0 40 FKAB COc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225543426 FIRHIEJHUUWZBQ-UHFFFAOYSA-N 351.490 5.461 0 40 FKAB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 247932643 QZFAQZJNUOXQME-CJWYXDEFSA-N 367.876 5.643 0 40 FKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248162201 HPZOHGFNBBOZSE-PTTAZLHSSA-N 371.571 5.386 0 40 FKAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1C1CCCC1 409128188 IQRPMNOELKLXOS-UYRXBGFRSA-N 366.486 5.461 0 40 FKAB Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(Cl)cc4)c12)CCC3 634071 XEXBHVHAAGTODS-UHFFFAOYSA-N 350.801 5.657 0 40 FKAB biogenic c1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 1473082 VHSXUQGHJVNVPC-UHFFFAOYSA-N 364.448 5.817 0 40 FKAB O=C(Nc1cc2ccccc2cc1C(=O)O)Nc1cccc2ccccc12 1733076 KELCCKKLJNTBJY-UHFFFAOYSA-N 356.381 5.335 0 40 FKAB CC(C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 1877012 ZFSLLLDXBMJWNK-UHFFFAOYSA-N 356.425 5.918 0 40 FKAB Clc1c(Cl)c(Cl)c2c(c1Cl)O[C@@H]1Cc3ccccc3[C@H]1O2 3851939 AECUTYJLGGMEIK-AMIZOPFISA-N 362.039 5.737 0 40 FKAB biogenic CC(C)OC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC[C@H](C)C2 5529407 LGOCFLIAEOGAII-ZDUSSCGKSA-N 372.490 5.082 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](NC2CCCCCCC2)c2ccccc2)c1 6086203 IACXPJCORYNWDA-QHCPKHFHSA-N 364.533 5.686 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC 6398364 IULIGRRFXPHUCL-UHFFFAOYSA-N 361.869 5.397 0 40 FKAB CC(C)(C)c1ccc(OCCCOC(=O)c2cc3c(s2)CCCC3)cc1 6906442 SYIIQLQVNDREJC-UHFFFAOYSA-N 372.530 5.550 0 40 FKAB Cc1ccccc1-c1nc(-c2cc(C)n(CC(F)(F)F)c2C)cs1 7778237 YVHWBEDNGBQBSC-UHFFFAOYSA-N 350.409 5.766 0 40 FKAB Cc1cc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)no1 7821601 WXCNVGDDTMELFG-UHFFFAOYSA-N 363.851 5.193 0 40 FKAB CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccccc1 9484156 SLPWUVPSGPXIOR-HXUWFJFHSA-N 373.481 5.488 0 40 FKAB Cc1ccc(SCc2csc(CC(=O)Nc3ccccc3C)n2)cc1 9613895 HQWBPWPYPKFSLF-UHFFFAOYSA-N 368.527 5.233 0 40 FKAB O=C(CNc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1F 11618933 VYKPEWXBFCCKHD-UHFFFAOYSA-N 354.812 5.197 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12906787 ZXQIRJJZUYMTMC-UHFFFAOYSA-N 370.884 5.350 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1OCc1ccccc1 13687390 YIQWFLZPZQCSMY-LJQANCHMSA-N 359.469 5.017 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1CCc1ccccc1 13688419 USUSEFQFCVJPQX-FQEVSTJZSA-N 357.497 5.223 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(Cl)sc1Cl 14120175 MUKPQKCGYGUIIP-UHFFFAOYSA-N 364.253 6.100 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4ccc(C(C)C)cc4)ncnc32)cc1C 17120443 MCLJIBXSTOLABP-UHFFFAOYSA-N 357.461 5.299 0 40 FKAB Cc1cc2ncn([C@H](CC(=O)c3ccccc3)c3ccccc3)c2cc1C 20890348 PRPWSEALMLVDLT-JOCHJYFZSA-N 354.453 5.516 0 40 FKAB Clc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)co2)cc1 27424290 DHQPBOAWSFCJGW-UHFFFAOYSA-N 359.834 5.059 0 40 FKAB O=C(O)C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 28495893 UMLDKBVPAYHPDP-XFXZXTDPSA-N 363.360 5.330 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1C 38752511 MGLDDWFRFGGZDA-UHFFFAOYSA-N 370.496 5.509 0 40 FKAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2cc3ccccc3o2)cc1 39984306 YLWCLXFRTTUCIK-UHFFFAOYSA-N 368.392 5.422 0 40 FKAB COc1ccc([C@H]2CCCCN(C(=O)c3cc4ccccc4s3)C2)cc1 208004446 PFITVSRXZBJWCJ-SFHVURJKSA-N 365.498 5.320 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 222917589 ZLICVCXNTJGHBQ-GOSISDBHSA-N 363.860 5.573 0 40 FKAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 223087792 UPWKXYOQNDBPCY-CSKARUKUSA-N 362.300 5.448 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1ccc(Cc2ccncc2)cc1 224940265 OECOIJRWDCKJHN-UHFFFAOYSA-N 366.464 5.397 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224940777 XVFCKDUOAWKGHA-QGZVFWFLSA-N 354.519 5.105 0 40 FKAB CC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)c(C)c1 224983691 MVPZLWGVIOGBRR-HSZRJFAPSA-N 373.496 5.481 0 40 FKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCC2)c1 225510716 OOMTVVZFJORMTE-UHFFFAOYSA-N 351.490 5.541 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225622089 IBOHHODJOPKFKU-JOCHJYFZSA-N 355.478 5.190 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1C 225756677 MVRTYJRSZUURFL-INIZCTEOSA-N 352.425 5.452 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(N)c1 226349098 LHVKKPDYOIPHQV-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(-c2cccc(C(=O)O)c2)c1 257341172 ZJCOPPDVQWZOPR-IBGZPJMESA-N 367.445 5.124 0 40 FKAB Brc1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1 408887437 QQFPBFDPXBBXRT-UHFFFAOYSA-N 357.276 5.415 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409114879 QXLXEMHWXIBZGC-UVTDQMKNSA-N 356.208 5.746 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4C)c3)oc2c1 824706 PNSCMKJLQUBHLG-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 1748902 JSJAQIRVFXSQDQ-ZDUSSCGKSA-N 370.543 5.307 0 40 FKAB CCCCN(CCCC)C(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2081616 IKKSSHLKXBEDKZ-UHFFFAOYSA-N 374.528 6.253 0 40 FKAB Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc2n1 2621588 JAVZUSHKBMLHGB-UHFFFAOYSA-N 352.437 5.386 0 40 FKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1 3293844 ZIXWVHNZZAFIDQ-UHFFFAOYSA-N 370.543 5.216 0 40 FKAB CC(C)(C)NP(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3304878 MDMLAXQWMPEBCC-UHFFFAOYSA-N 355.844 5.308 0 40 FKAB CCOc1ccc(C(=O)c2c(-c3cccc(OC)c3)cc3ccccn23)cc1 3306302 OFHOREHGXGEDTB-UHFFFAOYSA-N 371.436 5.245 0 40 FKAB Fc1cccc(OCc2csc(=S)n2-c2c(F)cccc2F)c1 4054522 BNXHNKHYEXKOMY-UHFFFAOYSA-N 353.390 5.265 0 40 FKAB CCOc1ccc2nc(NC(=O)c3cc4ccccc4s3)sc2c1 4324658 GANSDNNUUMYBHM-UHFFFAOYSA-N 354.456 5.162 0 40 FKAB CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccco3)=NN12 5016912 LCIBIKLOFHJYOQ-UARVQCNDSA-N 370.880 5.773 0 40 FKAB Cc1ccc(NCN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1C 5363728 HPSIGGOCJIRNOK-DEOSSOPVSA-N 355.485 5.524 0 40 FKAB Clc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5458860 JJSDXACYAZGSPD-TZIWHRDSSA-N 359.860 5.836 0 40 FKAB Cc1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 5889955 GPBMTKCIZJSCPU-UHFFFAOYSA-N 373.408 5.039 0 40 FKAB Cc1sc2ncnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)c2c1C 6048304 BGFILJUNZOLTCL-UHFFFAOYSA-N 372.559 5.186 0 40 FKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)C(=O)CC(C)(C)C4)C1 6085668 KYOLGYAWSFUEMZ-GFCCVEGCSA-N 365.498 5.836 0 40 FKAB Cc1cc2sc(NC(=O)c3cccc(OCC(C)C)c3)nc2cc1Cl 6826381 ZBVAMLCTSVHWAL-UHFFFAOYSA-N 374.893 5.545 0 40 FKAB O=C(O)c1cc(-c2ccc(Cl)s2)nc2cc(Br)ccc12 6884043 VIQAVQZMZOODBA-UHFFFAOYSA-N 368.639 5.077 0 40 FKAB Cc1ccc2c(CC(=O)Nc3cccc(-c4csc(C)n4)c3)coc2c1 8987409 URHUWZRFVSUEJV-UHFFFAOYSA-N 362.454 5.354 0 40 FKAB c1ccc(SCc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 9434723 QEMIABJOFXLWFF-UHFFFAOYSA-N 359.519 6.769 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1 9660046 DIYYVIRCHAJLEB-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic Fc1ccc(CNCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 10475216 DNNKWHPEEPIPOO-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2cccc(C)c2C)cc1 11914623 JDKIMELAOGQUCB-UHFFFAOYSA-N 365.498 5.286 0 40 FKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2ccccc2CC3)cc1 12547078 RKDHYBVTHYILFR-UHFFFAOYSA-N 367.517 6.608 0 40 FKAB CCN(CC)CCn1c(NCc2ccc(C(C)C)cc2)nc2ccccc21 13748741 RMWAXAWELFSSFN-UHFFFAOYSA-N 364.537 5.114 0 40 FKAB CCCCN(CCCC)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1 17289670 WDFRBOJZFCOGFR-UHFFFAOYSA-N 351.538 5.575 0 40 FKAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(F)cc1 19295451 SCFBXBIRZYSSSI-GFCCVEGCSA-N 374.868 5.023 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 20454872 APZYXWXMTFEJRK-HNNXBMFYSA-N 357.759 5.155 0 40 FKAB O=C(Oc1ccc(Cl)cc1Cl)C1=C(c2ccccc2)SCCO1 20715921 XHMDRXSUKRSKOR-UHFFFAOYSA-N 367.253 5.031 0 40 FKAB O=C(COc1ccccc1)N(Cc1cccs1)c1ccccc1Cl 27745000 SUBOUADQYWSEFH-UHFFFAOYSA-N 357.862 5.014 0 40 FKAB C[C@H](Sc1nc(-c2ccccc2)cs1)c1nc(-c2ccco2)no1 29739354 FMVJUNRJUHJEAE-NSHDSACASA-N 355.444 5.306 0 40 FKAB CCOc1ccc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn23)cc1 35616507 WGCIUYPMMRUTEB-UHFFFAOYSA-N 359.429 5.158 0 40 FKAB C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 40141163 RRMUREHKKVYKDT-SUHUHFCYSA-N 367.333 5.251 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1Cl 40913230 FPAZMKVTQCGUQH-NSHDSACASA-N 372.679 5.670 0 40 FKAB COc1cc(Nc2ccc(Sc3cc(C)ccc3C)nn2)cc(OC)c1 44845992 GDWBOETXAODBDE-UHFFFAOYSA-N 367.474 5.005 0 40 FKAB CCCCCCCCCCCCCC(=O)N[C@H](CCSC)C(=O)O 59766669 CLXADVHCSCRADU-QGZVFWFLSA-N 359.576 5.010 0 40 FKAB COc1ccc(-c2cnc(CN3CCC[C@@H]3c3ccccc3Cl)o2)cc1 83952286 XOOFVCPHQBTSOM-LJQANCHMSA-N 368.864 5.341 0 40 FKAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214768946 SQVPRTRBOYDLKY-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(OC)c(C)c3)ccc21 223049015 OMRANLAUGKHLLM-UHFFFAOYSA-N 372.468 5.313 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cnn(-c2ccc(Cl)cc2)c1 224056314 BGGMFOLMJXGLHB-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1Cl 225697631 SJWWOJLRPHQHQT-UHFFFAOYSA-N 369.933 5.545 0 40 FKAB CCNc1cc(C)c2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226283702 XFWWNDZBMKTTCA-UHFFFAOYSA-N 351.233 5.550 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 245239172 GDNCPMQDMBBSRP-IVPNHWPWSA-N 374.521 5.018 0 40 FKAB Cc1ccccc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 409113794 NYUHZVGNIKXCOW-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1 409116401 UYIOECVDHPPKRU-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(NCc1ccc(-c2ccoc2)o1)NC(c1ccccc1)c1ccccc1 575611885 ZRDMQYWMERBQEP-UHFFFAOYSA-N 372.424 5.128 0 40 FKAB O=C(Oc1ccc2ccc(OC(=O)C3CCCC3)cc2c1)C1CCCC1 683119 BTUPQUFGHMDKQX-UHFFFAOYSA-N 352.430 5.031 0 40 FKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(Cl)c1 940243 OIWGBKCLCIPNFD-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 1986082 GMQLRCPWBKQTAF-DUXPYHPUSA-N 361.055 5.952 0 40 FKAB CCCCSc1ccc([C@@H](SCCCN(C)C)c2ccccc2)cc1 2036505 WEHYHSKAZGAQTI-QFIPXVFZSA-N 373.631 6.353 0 40 FKAB CCCc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 2109183 SXWWKRHNMJFWBE-HNNXBMFYSA-N 359.897 5.327 0 40 FKAB CNc1nc(-c2c(C)n(Cc3ccccc3)c3ccc(OC)cc23)cs1 2378291 ZTRSSWJWLNJLEK-UHFFFAOYSA-N 363.486 5.172 0 40 FKAB CC(C)(C)c1cc(C(F)(F)F)n2ncc(-c3ccc(Cl)cc3)c2n1 4739355 GUUZAUBQOSFVLM-UHFFFAOYSA-N 353.775 5.366 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 7094308 JDVHHHKHNBMAQU-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB COc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 7939586 HNEKZVHLCLHZCS-UHFFFAOYSA-N 367.257 5.344 0 40 FKAB CCc1cccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 8594415 CXXNLUJZWPNVAB-NRFANRHFSA-N 373.431 5.640 0 40 FKAB CC(C)(C)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n3ccnc23)cc1 12585071 JQJNXENYRFEIFO-UHFFFAOYSA-N 369.390 5.866 0 40 FKAB Cc1ccc(-c2csc3c(=O)n(Cc4cc(C)ccc4C)cnc23)cc1 38486726 IZNPQXSVAMXTQK-UHFFFAOYSA-N 360.482 5.099 0 40 FKAB COc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[C@H](C)CC[C@H]32)cc1Cl 58182448 TVAMQIPGDCFUOV-XHBSWPGZSA-N 356.293 5.043 0 40 FKAB CC(C)c1ccc2oc(-c3cccc(I)c3)nc2c1 73639077 OUDCFDGBCRDVAB-UHFFFAOYSA-N 363.198 5.223 0 40 FKAB CCOc1ccc(NC(=O)N(CCc2cccs2)Cc2ccco2)cc1 75154774 PSXSMPVGQCLAQS-UHFFFAOYSA-N 370.474 5.017 0 40 FKAB CC(C)c1ccc(/N=c2/scc(-c3ccc(Cl)s3)n2C2CC2)cc1 105755907 PDXZLVODADQDJP-XUTLUUPISA-N 374.962 6.622 0 40 FKAB COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118923204 JCEJAUVYYGKDSZ-LVVAJZGHSA-N 360.582 6.235 0 40 FKAB O=C(Nc1ccccc1F)N1CCS[C@H](c2ccccc2Cl)CC1 208047182 FIPFYVBQDBRCPB-KRWDZBQOSA-N 364.873 5.191 0 40 FKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1 224361681 MBHBBXFRTBFJPQ-UHFFFAOYSA-N 365.404 5.056 0 40 FKAB CCn1c(=O)sc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 225077514 NYUBHWWDQCHZMR-UHFFFAOYSA-N 374.465 5.002 0 40 FKAB O=C(CCc1ccc(Cl)cc1)NCCCc1cccc2ccccc12 225311717 JZHXQPXMMVDRGH-UHFFFAOYSA-N 351.877 5.175 0 40 FKAB CC(C)c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225843495 ATFHMOPKXFEFOR-UHFFFAOYSA-N 372.965 6.219 0 40 FKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3Cl)nc2c1 226282449 YWJANFPWKLWOCC-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1C 408779967 OVBOKEZITQHAPX-UHFFFAOYSA-N 361.510 5.989 0 40 FKAB O=C(/C=C/c1ccccc1)NCCSCc1c(Cl)cccc1Cl 409025433 RDTGPDBDMWQNHO-MDZDMXLPSA-N 366.313 5.056 0 40 FKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1O 409109318 BPNDGVRCHNBPPD-UHFFFAOYSA-N 370.674 5.127 0 40 FKAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCC 409117258 NZXHLLZJUALOEI-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB CCc1ccccc1NCc1ccccc1OCc1ccc(C(=O)O)cc1 409129373 GKXDZPPHYQUXNL-UHFFFAOYSA-N 361.441 5.138 0 40 FKAB c1ccc(-c2nc3ccccc3s2)c(OCc2cccc3ccccc23)c1 409191408 GRRRUXXHUNJKSA-UHFFFAOYSA-N 367.473 6.696 0 40 FKAB COc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3o2)cc1 693080 FQEUIFIKAIPYCG-UHFFFAOYSA-N 350.418 5.022 0 40 FKAB CCC(C)(C)NC(=O)c1oc2ccccc2c1CSC1CCCCC1 3312035 XAUJVGSCIZJOOF-UHFFFAOYSA-N 359.535 5.917 0 40 FKAB CCc1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1 3359060 UJOZYQBMWGIQSW-UHFFFAOYSA-N 358.816 5.730 0 40 FKAB Clc1ccc(-c2nc(Nc3ccccc3Cl)nc3ccccc23)cc1 4071304 SXXNJEXMDQKBNL-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@@]1(C)[C@H](O)c1ccccc1 4403840 IUZXDEIEFTZAQM-ROXDYWFKSA-N 362.557 6.554 0 40 FKAB COc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2ccccc23)cc1 4970132 YANYLEMMGSFHBX-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1Cl 5670652 ZYWNVQXMFARCSC-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB Cc1cc(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc12 5688633 XJADCMVBMURDER-GFCCVEGCSA-N 374.868 5.455 0 40 FKAB CCc1c(-c2ccccc2O)cc(-c2ccccc2)nc1-c1ccccc1 6040788 LLHQBYNLVSYGEH-UHFFFAOYSA-N 351.449 6.351 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccco2)nc2ccccc12 6125563 INATWBVLDQCHDS-UHFFFAOYSA-N 356.425 5.618 0 40 FKAB C[C@@]12CC3CC(NCc4ccc(-c5ccccc5F)o4)(C1)C[C@](C)(C3)C2 7524290 RLKKWOKUABITME-QLOAFGCXSA-N 353.481 5.924 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 8216722 KMXACHDKVHRKNW-XNTDXEJSSA-N 371.465 5.366 0 40 FKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1SCc1ccccc1 8269163 DNUUBVFGEYZKQS-UHFFFAOYSA-N 372.493 5.641 0 40 FKAB CCc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]2)cc1 13511297 AZFRNKBUBNFNRH-UHFFFAOYSA-N 363.464 6.226 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCC(Cc2ccccc2)CC1 13709130 MLHKBRORYLOQEZ-LJQANCHMSA-N 373.496 5.088 0 40 FKAB O=C(/C=C/c1ccccc1)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12 16918526 DMQRESCOMHWLMW-DKUDOZJNSA-N 364.448 5.512 0 40 FKAB FC(F)(F)c1ccc(Cl)c(-c2ccc(CNCc3cccnc3)o2)c1 20158471 UETKOASCMWENOJ-UHFFFAOYSA-N 366.770 5.304 0 40 FKAB O=C(Nc1ccccc1F)N1CCc2sccc2[C@H]1c1cccs1 24756496 OXWSXMWSEHFGNQ-KRWDZBQOSA-N 358.463 5.128 0 40 FKAB O=C(CSc1ccc(F)cc1)Nc1c(F)cc(F)cc1-c1ccccc1 40156224 QRKNRSKZZBZOOC-UHFFFAOYSA-N 373.399 5.502 0 40 FKAB O=C(Nc1ccccc1Br)Nc1ccccc1C(F)(F)F 41111118 NGAAPVLQBDLBGQ-UHFFFAOYSA-N 359.145 5.112 0 40 FKAB Cc1ncsc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 43268900 SGRWPYLQQHLYKB-UHFFFAOYSA-N 370.286 5.134 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 44947369 ZFTXWYIBOHAURX-UZLBHIALSA-N 357.519 5.079 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 107039725 KCSRHPGETLMJFN-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@H]2C1(C)C 118928671 AUBLWSIZTYPLHL-TUIXVWQOSA-N 360.538 5.166 0 40 FKAB O=C(NCc1ccc2ccccc2c1)c1ccccc1CCc1ccccc1 222788330 QIEQAXHUOUDABT-UHFFFAOYSA-N 365.476 5.555 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223097434 VSUOZUHBYIWDNG-DHIUTWEWSA-N 365.517 5.299 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(OC(C)C)c1 223890790 OWVAECWGKUOWDD-QFIPXVFZSA-N 367.489 5.149 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C 224243806 KHEUOENTLQFCMF-HXUWFJFHSA-N 357.881 5.323 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1 225333776 ODFQKENYNNFCNU-AWEZNQCLSA-N 350.289 5.064 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225552891 OBZDSFOJGPDPGU-UHFFFAOYSA-N 371.908 5.969 0 40 FKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225687884 ZWYZXDIBPJUJFU-JOCHJYFZSA-N 355.478 5.045 0 40 FKAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCCCC1 225806024 RKAZBKPAARSUEW-UHFFFAOYSA-N 355.478 5.162 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc12 225941030 XJOPUQYBQTYQSJ-UHFFFAOYSA-N 365.860 5.562 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(-c3cccc4c(Cl)cccc34)oc12 226246737 WZYWCHQEJUIIAV-UHFFFAOYSA-N 358.828 6.401 0 40 FKAB CCCCCn1nc2ccccc2c1C(=O)Nc1cccc2ccccc12 299817098 CCKAFWQEZXFESA-UHFFFAOYSA-N 357.457 5.632 0 40 FKAB in-vitro O=C(Nc1c(F)cc(F)cc1-c1ccccc1)N1CCCc2occc2C1 583657392 KKDBKTZIJVGDCB-UHFFFAOYSA-N 368.383 5.205 0 40 FKAB Cc1cccc(N[C@H](c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)n1 941419 JZBLQUIOBAZQEG-JOCHJYFZSA-N 361.876 6.035 0 40 FKAB COc1ccc(C2=C[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC 1460356 IRWRFGVBPIFSHH-FQEVSTJZSA-N 358.437 5.578 0 40 FKAB Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C(=O)O)c1C 1625177 MLULTROHKBGYNK-UHFFFAOYSA-N 363.244 5.015 0 40 FKAB Cc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2CCC3)cc1 2159369 OVHWQYJYXRSXMC-UHFFFAOYSA-N 361.488 6.880 0 40 FKAB Cc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 2631263 ULDOYXJSECLZCP-UHFFFAOYSA-N 359.429 5.200 0 40 FKAB Cc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1 2742287 OGLSNKMOSIAEOC-GOSISDBHSA-N 366.464 5.701 0 40 FKAB Cc1ccc(OCCSc2nc3ccccc3n2-c2ccccc2)cc1C 3672326 HAHATUKHEMYGEC-UHFFFAOYSA-N 374.509 5.813 0 40 FKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccnc4)nc32)cc1 4710731 VYJICXRCVFYMEO-UHFFFAOYSA-N 368.362 5.118 0 40 FKAB CC(C)CC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6023138 MELXSOYTVBFNOF-UHFFFAOYSA-N 355.821 5.098 0 40 FKAB CCc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3ccncc3)=NN2)cc1 6134731 GQJYMKKHNUBNAT-UHFFFAOYSA-N 368.484 5.201 0 40 FKAB CCCCNc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 6309820 QTDBDFJHXDVZBM-JXFKEZNVSA-N 356.539 5.329 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Oc3cccc4cccnc34)cc2)cc1 6479770 RDMZPONZUHLWDA-UHFFFAOYSA-N 369.420 5.341 0 40 FKAB O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCc2ccccc21 6881982 OLBQTQYIZSTPPK-UHFFFAOYSA-N 362.479 5.228 0 40 FKAB CSc1ccc2nc(Nc3ccc(Br)cc3)sc2c1 7447752 AHJBIOUEXCKVCQ-UHFFFAOYSA-N 351.294 5.524 0 40 FKAB COc1ccccc1-c1cnn2c(Nc3cccc(Cl)c3)cc(C)nc12 7636239 VTZCUSLELXAKPK-UHFFFAOYSA-N 364.836 5.110 0 40 FKAB CCn1c(SCCSc2ccc(Cl)cc2)nnc1-c1ccco1 8345518 JNBKHYTZDPUHTC-UHFFFAOYSA-N 365.911 5.096 0 40 FKAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)c1 8368433 NOHVPNVAMKAFRZ-UHFFFAOYSA-N 364.470 5.029 0 40 FKAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 8986928 KGEMXMMWRVQQMF-QGZVFWFLSA-N 354.453 5.255 0 40 FKAB c1ccc(-c2cc3c(Oc4ccc(-n5ccnc5)cc4)ncnc3s2)cc1 12634137 DYICNXLWMKAXQF-UHFFFAOYSA-N 370.437 5.336 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1cccc(Cl)c1 13039933 NJSJKQVMBBKCOY-INIZCTEOSA-N 372.940 5.876 0 40 FKAB CCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 13063054 XFZVSPNPUPEPHP-GOSISDBHSA-N 361.489 5.055 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(Cl)c3C)o2)cc1 15867396 USCDELQTHCXSPC-UHFFFAOYSA-N 369.848 5.488 0 40 FKAB Cc1ccc(Nc2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)cc1 16808398 PRMLLEYVGRATSO-UHFFFAOYSA-N 365.480 6.095 0 40 FKAB Cc1ccc(-c2cc3c(SCc4cccc(Cl)c4)nccn3n2)cc1 16842551 KSXGXMRTZLOSRZ-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccccc3F)ccc12 16993277 LNWWEOMTWAWZHB-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB biogenic CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C(F)(F)F)cc1 20035492 KCQWDEFDQSQLJP-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 21116750 XOPRSLMWLHRBRR-JTQLQIEISA-N 356.274 5.121 0 40 FKAB Cc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1C 22245746 NSNRIMVKDJNVTB-UHFFFAOYSA-N 355.438 5.203 0 40 FKAB S=C(Nc1ccc(Cc2ccncc2)cc1)Nc1ccc2ccccc2c1 32109807 YTRUMGAAXWCNSI-UHFFFAOYSA-N 369.493 5.635 0 40 FKAB FC(F)(F)Sc1ccc(NCc2c(Cl)cccc2Cl)cc1 35041217 VSEFKEIKRPQIIP-UHFFFAOYSA-N 352.208 6.217 0 40 FKAB CCN1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214575 QQELROOZVCRIQC-SFHVURJKSA-N 361.530 5.026 0 40 FKAB Clc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)cc3)o2)cc1 106951766 ZHFCXKFXAZAQLX-UHFFFAOYSA-N 368.864 5.049 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219603329 MWVFATPEYAVACY-YWZLYKJASA-N 373.924 5.672 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223105597 AEWORJACUQYGSR-WZONZLPQSA-N 365.517 5.217 0 40 FKAB Cc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2N)cc1 225178959 WSJCJVHOGXICOG-UHFFFAOYSA-N 351.759 5.102 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2cccnc12 225861293 FDTBNJPCPGASFE-UHFFFAOYSA-N 374.484 5.392 0 40 FKAB COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(F)cc1 409117406 LUEAORJZNXKVNW-UHFFFAOYSA-N 365.448 5.642 0 40 FKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccccc2Cl)n1 409384999 HHXUBQPGELAGCL-UHFFFAOYSA-N 361.297 6.051 0 40 FKAB CCCC[C@@H](CC)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358977 JWVGRVVYEGYYPQ-OAQYLSRUSA-N 371.524 7.556 0 40 FKAB Oc1cc(O)c(-c2cccc(-c3ccc(Cl)c(Cl)c3)c2)c(Cl)n1 585090252 YHMBOMKCVOYYCW-UHFFFAOYSA-N 366.631 5.787 0 40 FKAB Cc1cc(OC(=O)c2ccccc2C)ccc1OC(=O)c1ccccc1C 642770 SKRFJOGCAWNAJH-UHFFFAOYSA-N 360.409 5.050 0 40 FKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 1023585 KXKWGUOBESJNJC-AATYUJHQSA-N 367.492 5.949 0 40 FKAB COc1ccccc1-c1c(C)oc2cc(OCC=C(C)C)ccc2c1=O 1464236 CYRHCDRVDOQIKC-UHFFFAOYSA-N 350.414 5.122 0 40 FKAB biogenic FC(F)(F)c1cnc(Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 2655776 FJQDLIYOGPKQDF-UHFFFAOYSA-N 364.754 6.290 0 40 FKAB CC[C@H](C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1 2961313 PGWSZFXSURZJJO-SFHVURJKSA-N 373.481 5.491 0 40 FKAB Cc1ccc(SCc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1 3117047 QFDYDCOEQSEGJK-UHFFFAOYSA-N 369.436 5.818 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1sc2ccccc2c1Cl 3265674 CLAASBFBFBEAFG-UHFFFAOYSA-N 363.869 6.474 0 40 FKAB COc1ccc(CNCC[C@@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)cc1 4085674 LAKDINKJQJHSDQ-NHCUHLMSSA-N 361.570 5.433 0 40 FKAB biogenic CN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1 4275473 GMARCZCNFRJWHG-UHFFFAOYSA-N 350.468 5.301 0 40 FKAB Cc1cccc(Cc2cn3cc(-c4cc5ccccc5oc4=O)nc3s2)c1 5020520 LNDHFEHWCYWCGA-UHFFFAOYSA-N 372.449 5.068 0 40 FKAB O=C(Nc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 5299785 OCPFZANHCFXYBH-UHFFFAOYSA-N 355.441 5.402 0 40 FKAB CCc1cc2cc(C(=O)Nc3cc(Cl)ccc3Cl)sc2s1 6359112 GKOYGBQCCFERBG-UHFFFAOYSA-N 356.299 6.084 0 40 FKAB CCC(=O)c1ccccc1OCCCCN1CCCC[C@@H]1c1cccnc1 6624460 HTCFVNAHTFRWGD-OAQYLSRUSA-N 366.505 5.061 0 40 FKAB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 6652123 IHDGDMLFPOVYBS-GJZGRUSLSA-N 353.849 5.138 0 40 FKAB Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(C(F)(F)F)cc1Cl 6944500 RPEKCDJODJWRJV-JTQLQIEISA-N 374.815 5.182 0 40 FKAB Cc1c(-c2ccccc2)nc2sc3c(c2c1-c1ccco1)CC[C@@H](C)C3 7148260 FLAQRDZHXJYAJO-CQSZACIVSA-N 359.494 6.657 0 40 FKAB Fc1ccc(CNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 7524750 FBPXXSSCSSERNO-UHFFFAOYSA-N 350.220 5.682 0 40 FKAB COc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2)cc1 7538445 GHKLDYBVIMJFMQ-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB Cc1ccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)cc1 7777387 PWBUSDWBFRPUFJ-QGZVFWFLSA-N 354.500 5.232 0 40 FKAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 9053648 SNCKXMUZCBSIJY-VIFPVBQESA-N 357.788 5.255 0 40 FKAB CC(C)C(=O)Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1 9668216 LYALBISWHSMOLP-UHFFFAOYSA-N 362.804 5.001 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12564078 RLQXAHVHHNKVAW-ZDUSSCGKSA-N 369.465 5.440 0 40 FKAB Cc1ccccc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 12622511 QKFJADNSPFVKIC-UHFFFAOYSA-N 359.454 5.162 0 40 FKAB CC(C)c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 12970559 SLTBODPJKRBSAQ-UHFFFAOYSA-N 357.884 7.346 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3)n2)cc1 17075351 JOLPQEBEHWJFRA-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccccc2)cc1C 19894505 DVNRFDKOMVIBFA-UHFFFAOYSA-N 374.465 5.939 0 40 FKAB Cc1cc2nc(-c3cc(Cl)ccc3Cl)oc2c(Br)c1C 20156805 FHBZOZSBMNKLJS-UHFFFAOYSA-N 371.061 6.181 0 40 FKAB C[C@H](NC(=O)c1ccccc1SCc1cccs1)c1cccs1 21905707 NFTKOWNXONILBX-ZDUSSCGKSA-N 359.541 5.593 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(SC(F)F)cc3)no2)cc1C 27662597 PEJRZRLZTVOSKF-UHFFFAOYSA-N 374.412 5.525 0 40 FKAB CCc1ccccc1NC(=O)CNc1ccccc1N(C)c1ccccc1 40122938 QFEIOONVNKDRGN-UHFFFAOYSA-N 359.473 5.068 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 44949964 SYVZTEGZDKWDHX-GOSISDBHSA-N 374.267 5.943 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1 59351819 RKBFSPPTCGOXLR-VQTJNVASSA-N 359.897 5.382 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1F 71760590 WZRASUYEJJUVPE-UHFFFAOYSA-N 352.434 5.735 0 40 FKAB Clc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl 96308063 YLCHPGILMPKMEF-UHFFFAOYSA-N 369.251 6.116 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C 223503177 MSLULVXMSLQUEQ-HNNXBMFYSA-N 364.316 5.729 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2ccc(Cl)cc2F)c(C)c1 225105731 PXYKTFPREQJGGI-UHFFFAOYSA-N 351.874 5.276 0 40 FKAB Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225177975 FKLMEOCTVPOHRK-UHFFFAOYSA-N 372.177 5.447 0 40 FKAB COc1ccc([C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225466466 UHTWXODWNZKSRU-HNNXBMFYSA-N 370.518 5.064 0 40 FKAB CCCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225653283 YBXNCXFFKIIKGF-QFIPXVFZSA-N 363.542 5.795 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 225761468 BFWPTQIEUZNRFD-CQSZACIVSA-N 361.938 5.262 0 40 FKAB CC(C)Oc1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225867506 JDAUVVIDUTXGOC-UHFFFAOYSA-N 354.519 5.230 0 40 FKAB CCc1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2c1 226295060 DVSWYDBUOOUTNN-UHFFFAOYSA-N 363.844 6.290 0 40 FKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCCC1 230511139 PCXUKFJMKJCKEX-GILFWBMKSA-N 372.512 5.219 0 40 FKAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)C12CC3CC(CC(C3)C1)C2 409051233 JNCVLRJPJWJQTD-UHFFFAOYSA-N 364.514 5.064 0 40 FKAB Cc1ccsc1C(=CCCN1CCC[C](C(=O)O)C1)c1sccc1C 1560407715 ZMHVINUKYLLURV-UHFFFAOYSA-N 374.551 5.003 0 40 FKAB Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)c1 1088753 LPOTVVZVUBSTAA-JOCHJYFZSA-N 361.466 5.566 0 40 FKAB Cc1cccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 1786423 WXCXURZRXCWMOV-UHFFFAOYSA-N 351.368 5.120 0 40 FKAB Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1F 2183212 VLLZAERCCCAMSZ-UHFFFAOYSA-N 367.786 5.972 0 40 FKAB COc1cccc(-c2nc(Nc3cccc(C)c3C)c3ccccc3n2)c1O 2256865 WMLWMFJLVYDKKU-UHFFFAOYSA-N 371.440 5.371 0 40 FKAB CC1=Cc2c(ccc3ccccc23)O[C@@]12C=Cc1c(ccc3ccccc13)O2 2268015 UDFAHPRGDYRYPU-SANMLTNESA-N 362.428 6.591 0 40 FKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=S)Nc1ccccc1 2295120 SPXKUEMUPGZAJX-UHFFFAOYSA-N 352.503 5.484 0 40 FKAB O=C(CCc1cccc(Br)c1)c1ccccc1C(F)(F)F 2516724 CYJJHEIZFPQWKK-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB O=C(c1cnc2ccccc2c1-c1ccccc1)c1cccc2ccccc12 4452681 TZIMGBZSRRWZBM-UHFFFAOYSA-N 359.428 6.286 0 40 FKAB CCOC(=O)CSc1nc(C2CCCCC2)nc2sc(C)c(C)c12 4848087 CMIKCIJQNFOZNE-UHFFFAOYSA-N 364.536 5.011 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2n[nH]c3cc(Cl)ccc23)cc1 5605333 VIUDBQFHKZLPEN-UHFFFAOYSA-N 371.868 5.428 0 40 FKAB Cc1cccc(C)c1NC1=NN=C(c2ccc(Cl)c(Cl)c2)CS1 5693370 CALFXCDUKCHUSJ-UHFFFAOYSA-N 364.301 5.529 0 40 FKAB CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OCCCC 5820570 UJMGZZUDBFIODG-OAQYLSRUSA-N 356.591 6.562 0 40 FKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 8653725 UAWLKDYVFYUOBJ-HSZRJFAPSA-N 355.441 5.099 0 40 FKAB CC(C)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757585 JAFPOKRYQJSECY-UHFFFAOYSA-N 359.498 5.836 0 40 FKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59055475 VHHMQJBGDFWLPU-BMRADRMJSA-N 360.457 5.445 0 40 FKAB C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cc(Cl)cc(Cl)c1 95967279 RCGIAZPWDUVYCT-AWEZNQCLSA-N 360.288 5.089 0 40 FKAB CC(C)OC(=O)c1ccc(COc2ccc3occ(-c4ccco4)c3c2)o1 96222007 LJAQLLRAGOUBQK-UHFFFAOYSA-N 366.369 5.430 0 40 FKAB biogenic Cc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C)c1N 96316020 VAQFNRVHQJXLHR-UHFFFAOYSA-N 363.504 6.268 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1C 107031201 ICSBCCJCFQJTFO-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)CCCC2 222958412 UTCZFAFFEKURLO-QGZVFWFLSA-N 353.531 5.066 0 40 FKAB CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 223997803 KIXMGSPOHYDLOO-XISXUPMFSA-N 365.517 5.582 0 40 FKAB COc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224428386 VUNWJFKKWJMHSZ-CQSZACIVSA-N 361.397 5.001 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl 225514862 RDPSOVVIHLRJSG-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225740232 KTLGGCFDXTYWGN-QHCPKHFHSA-N 369.505 5.498 0 40 FKAB Fc1ccc(NC(=S)NCCCc2cccc3ccccc23)c(F)c1 225808702 RSDXCESWVUGENY-UHFFFAOYSA-N 356.441 5.037 0 40 FKAB CC(C)(C)c1ccc(C(=O)n2c3c(c4cc(Cl)ccc42)CCCC3)cc1 227158259 ZYHJIBZZBUSPMT-UHFFFAOYSA-N 365.904 6.160 0 40 FKAB Cc1cccc(CNC(=S)c2cccc(OCc3ccc(F)cc3)c2)c1 408577871 VCTTUYURLILPND-UHFFFAOYSA-N 365.473 5.178 0 40 FKAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1 409106107 MIXYUYVAQJYJGV-UHFFFAOYSA-N 371.937 5.855 0 40 FKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccccc1F 409120444 ZMHSXICGKHQTJP-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccc3ccccc3c2)s1 586564405 XHEGOEFOZVNNRL-UHFFFAOYSA-N 365.404 6.099 0 40 FKAB Clc1cc(Cl)cc(SCSc2cc(Cl)cc(Cl)c2)c1 2362803719 BCDZKXPZPGBOBG-UHFFFAOYSA-N 370.153 7.142 0 40 FKAB Fc1ccc(CSc2nnc(-c3sccc3-n3cccc3)o2)cc1 1398819 USZMNMONVXHXQC-UHFFFAOYSA-N 357.435 5.020 0 40 FKAB O=C(Nc1cccc2c(NC(=O)c3ccccc3)cccc12)c1ccccc1 1509023 SFJUBBVCCFTYMD-UHFFFAOYSA-N 366.420 5.344 0 40 FKAB Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccccc2)cc1 1514241 LRTDOYZJVOUODP-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB c1ccc2c(c1)Oc1ccccc1C2C1c2ccccc2Oc2ccccc21 1634075 ITCRKCCNJBBRCM-UHFFFAOYSA-N 362.428 6.862 0 40 FKAB CSc1ccc(-c2nc3c(c(SC)n2)Cc2ccccc2O3)cc1 2691159 RJVAFKDZRJKGAH-UHFFFAOYSA-N 352.484 5.284 0 40 FKAB FC(F)(F)c1nc(Nc2ccc(Cl)cc2)sc1-c1ccccc1 3176965 JSCSNYGRMDTELK-UHFFFAOYSA-N 354.784 6.226 0 40 FKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 3300028 NFCYDGVZUMQACD-UHFFFAOYSA-N 360.910 5.305 0 40 FKAB O=C(COc1cccc2ccccc12)N(C1CCCCC1)C1CCCCC1 3301289 SOZPDGVDQYOPEM-UHFFFAOYSA-N 365.517 5.713 0 40 FKAB Cc1ccc(C)c(NC(=O)CCCCC(=O)Nc2cc(C)ccc2C)c1 3350325 CCNRMSSZKRDNRD-UHFFFAOYSA-N 352.478 5.058 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(SC(F)F)cc1 3360251 VOXGQHIKMAKQJA-NSHDSACASA-N 350.459 5.149 0 40 FKAB Cc1ccccc1NCc1nc2ccccc2n1CCOc1ccccc1C 3894922 GUPVQVHFBPHCET-UHFFFAOYSA-N 371.484 5.344 0 40 FKAB O=c1c2sccc2nc(SCCC(F)=C(F)F)n1-c1ccccc1 4091734 QZNXOAIVUPUADP-UHFFFAOYSA-N 368.405 5.007 0 40 FKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccc(F)cc1 4267157 XSEUASPDHBDUIW-UHFFFAOYSA-N 374.371 5.077 0 40 FKAB O=C(OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12 4602815 PNJFCBWCOURNNE-UHFFFAOYSA-N 357.384 5.398 0 40 FKAB COc1cc(/C=C/c2nc3ccccc3s2)ccc1OCc1ccccc1 4863698 VPBLAGYHYIJRFV-WYMLVPIESA-N 373.477 6.054 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 5128962 SZGXOLVAOUAVLQ-UHFFFAOYSA-N 352.478 5.108 0 40 FKAB CSc1ccccc1C(=O)Nc1nc2ccc3nc(C)sc3c2s1 5222389 VRPRGHRBJCXCEZ-UHFFFAOYSA-N 371.512 5.189 0 40 FKAB COCCn1cc(NC(=O)Nc2cccc3ccccc23)c2ccccc21 5266519 KGFRBYCXTIZWGQ-UHFFFAOYSA-N 359.429 5.085 0 40 FKAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 6152568 BZCNBYQBYYHQEQ-JTQLQIEISA-N 356.274 5.121 0 40 FKAB O=C(Nc1ccccc1OC(F)F)c1ccc(COc2ccccc2)cc1 6559076 NFXRHMZVRKLAHY-UHFFFAOYSA-N 369.367 5.119 0 40 FKAB Cc1ccc(Nc2nnc(SCc3nc4ccccc4o3)s2)cc1 8193468 NFGXLUIXKVJFKI-UHFFFAOYSA-N 354.460 5.024 0 40 FKAB CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 8492252 SJGUAKZUJMWYMM-UHFFFAOYSA-N 359.800 5.723 0 40 FKAB CCN(CC)C(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 12999154 WTALWFYEUSBBRY-UHFFFAOYSA-N 352.865 5.346 0 40 FKAB Cc1ccc(F)c(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 15965354 IQKJJRLFCKKQQQ-UHFFFAOYSA-N 353.368 5.105 0 40 FKAB CCCCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1ccccc1 32747482 XFSQRWRQVGPIMI-UHFFFAOYSA-N 366.486 5.266 0 40 FKAB FC(F)(F)C1=CCC(Cl)=N[C@@H]1c1cc(Cl)ncc1C(F)(F)F 36399383 OCNPSHJORPAQJV-SNVBAGLBSA-N 363.088 5.325 0 40 FKAB CCCCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 60059372 XBGHFTQDHRIABE-UHFFFAOYSA-N 361.367 5.177 0 40 FKAB CCc1ccc2nc(-c3ccc(-c4ccc(OC)cc4)o3)cc(C(=O)O)c2c1 67299843 BBMWXMQHJIAVEJ-UHFFFAOYSA-N 373.408 5.431 0 40 FKAB CCN(CC)c1ccc(-n2c(-c3cccc(N)c3)nc3ccccc32)cc1 73739980 AIQKHNCCCNZONX-UHFFFAOYSA-N 356.473 5.121 0 40 FKAB CCc1cccc(C)c1NC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 83827669 VJHHQWNHWLRERW-GCJKJVERSA-N 350.506 5.871 0 40 FKAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@@H]1C[C@H]1c1cccc(F)c1 84560030 YEVULEXMNNXVQI-PKOBYXMFSA-N 367.370 5.513 0 40 FKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C[C@H]1C=CCC1 84691729 IGIROEGAKUJRHL-XHSDSOJGSA-N 374.912 5.038 0 40 FKAB CC(=O)c1c(F)cccc1NCc1ccc(-c2nc3ccccc3s2)o1 95951645 ISHSIHCFWBVKFW-UHFFFAOYSA-N 366.417 5.510 0 40 FKAB CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106686642 ZRGYNZVITNVKGI-WQRHYEAKSA-N 371.889 5.700 0 40 FKAB CC(C)c1ccc(CCCNC(=O)COc2ccccc2C(C)(C)C)cc1 222803734 KRRJRYZAVNVUEY-UHFFFAOYSA-N 367.533 5.235 0 40 FKAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224667208 BIAOXWMOJQZYJG-QGZVFWFLSA-N 371.546 5.604 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccnc1 225430437 UGTXAZBJDLUHEX-UHFFFAOYSA-N 354.862 5.280 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(F)c2)c2ccccc2)cc1 225509729 GJMZZCCQDQNLFI-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB CCCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCCC1 225660280 OHDRECWRZWJIQN-UHFFFAOYSA-N 361.526 5.549 0 40 FKAB CCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C 225697161 ZGCLZOWZSGSCOR-UHFFFAOYSA-N 363.542 5.508 0 40 FKAB C[C@@H]1[C@H]([C@]2(C)CC[C@H]3[C@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 252693552 DYGSLTDGTPXLQY-HJFXTJSGSA-N 355.305 5.524 0 40 FKAB biogenic CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1772492274 NTISSUBFZAIVDS-BWFGLJCPSA-N 370.577 5.686 0 40 FKAB Cc1cc(OCCCC2=C(C(=O)O)Cc3ccccc32)cc(C)c1Cl 2037888039 JYYPXBDOXHZWLW-UHFFFAOYSA-N 356.849 5.210 0 40 FKAB CC(C)(C)Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(O)cc1 2362803215 OTMIMLQRHASRPL-UHFFFAOYSA-N 370.492 6.475 0 40 FKAB COc1cccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c1 840470 HIORUUZRQAWFBA-JDKMENPHSA-N 369.464 5.177 0 40 FKAB CC1(C)CC(=O)C([C@H]2c3ccccc3Oc3ccc(Cl)cc32)C(=O)C1 948676 MNHMMYIDZOVWKR-IBGZPJMESA-N 354.833 5.152 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OCC)cc1 949062 ROYPRKVHKZBXQK-UHFFFAOYSA-N 364.445 5.171 0 40 FKAB CCCCSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 2321519 NNCXPZKZKAQTCT-UHFFFAOYSA-N 371.575 5.963 0 40 FKAB CCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 3150364 QIVHIBIPRYGDIO-OAHLLOKOSA-N 365.732 5.190 0 40 FKAB Cc1ccc(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 3248032 XWGUKMAGIAKGCD-SOFGYWHQSA-N 363.240 5.050 0 40 FKAB c1ccc2sc(CSc3ncnc4sc5c(c34)CCC5)nc2c1 6112316 ISRADTVBGUAGQR-UHFFFAOYSA-N 355.513 5.082 0 40 FKAB Cc1cnn([C@H](C(=O)c2ccccc2)c2ccccc2)c1-c1ccccc1 6491798 XVEFTMKDXXERIE-QHCPKHFHSA-N 352.437 5.331 0 40 FKAB S=C(Nc1cc(Cl)c(Cl)cc1Cl)SCc1ccccc1 6575153 RQQYSBGUTQWHEE-UHFFFAOYSA-N 362.734 6.277 0 40 FKAB COc1ccc(-c2nnc([C@H](C)Sc3nc4ccccc4s3)o2)cc1 7883993 YVYWKOLVKGSUJV-NSHDSACASA-N 369.471 5.208 0 40 FKAB O=C(CCc1ccsc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 7990840 PTXRMIOWCHLCAV-UHFFFAOYSA-N 370.455 5.296 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 8040979 YOGOFMNCZPJBMJ-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB Fc1ccccc1-c1nnc(SC(c2ccccc2)c2ccccc2)o1 8131858 LOWCMNBAMOJOMS-UHFFFAOYSA-N 362.429 5.757 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8902887 MNROFWVINFQJLN-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB O=C(Cc1ccc(Cl)s1)Nc1nc2ccc3ccccc3c2s1 10060868 MMQJFQLIGAWVLH-UHFFFAOYSA-N 358.875 5.346 0 40 FKAB C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)C1CC1 12989330 PIWLNTGEBKMMHU-DYVFJYSZSA-N 364.876 5.266 0 40 FKAB CC1CCN(c2ncnc3c2sc2nc(C(C)C)c4c(c23)CCC4)CC1 13228263 GVPZYIQJZWRHHA-UHFFFAOYSA-N 366.534 5.088 0 40 FKAB CCc1cccc(CC)c1NC(=O)N1c2ccccc2Sc2ccccc21 13717183 OJPYUXLDXCLJBR-UHFFFAOYSA-N 374.509 6.646 0 40 FKAB CC(C)CCOc1ccc(NCCOc2ccc(C(C)(C)C)cc2)cc1 19738211 FAKINSHPQUZVFN-UHFFFAOYSA-N 355.522 5.900 0 40 FKAB C[C@H](NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccccc1 20238929 MJDUHJJKGGWLJR-SFHVURJKSA-N 361.510 5.611 0 40 FKAB Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc3ccccc32)c(C)c1 28539615 DREGJQYKHUCQEE-UHFFFAOYSA-N 373.431 5.098 0 40 FKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 57315859 OAFUHNHXWUJWRG-UHFFFAOYSA-N 369.549 5.082 0 40 FKAB CCCC[C@@H](CC)CNC(=O)N1c2ccccc2Sc2ccccc21 59244665 WUOGRXLJYPHJPG-MRXNPFEDSA-N 354.519 6.215 0 40 FKAB C[C@@H](CCNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 60339478 HQGXRDBTGWKABL-HNNXBMFYSA-N 364.411 5.041 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3C)no2)cc1 61997118 PRMOOKJHEJSHHO-UHFFFAOYSA-N 350.418 5.081 0 40 FKAB Nc1ccc(-c2nc3ccccc3n2-c2ccc(Br)cc2)cc1 73740011 PPLQSMJTUVWATN-UHFFFAOYSA-N 364.246 5.037 0 40 FKAB CC(C)c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193782 VNXQYRIUXQMTTL-UHFFFAOYSA-N 360.442 5.389 0 40 FKAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1C 225363005 RYDRJEJZUVVGJA-GOSISDBHSA-N 350.289 5.502 0 40 FKAB Cc1ccccc1C[C@@]1(C)CCc2ccc(-c3cccc(C(=O)O)c3)cc2O1 585265510 GMRHLSRUKTXZNW-RUZDIDTESA-N 372.464 5.687 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCCC1 719389 LBQXKGHTJBHROW-OAQYLSRUSA-N 372.434 6.070 0 40 FKAB COc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 949353 FFJVJIUYCFARJW-UHFFFAOYSA-N 360.438 5.224 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1)c1ccco1 974319 NSYBZHWNAJRLPK-UHFFFAOYSA-N 365.282 5.482 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)NC4CCCCC4)cc3)sc2c1 1236189 DDUDFWLUHPDCMF-UHFFFAOYSA-N 365.502 5.726 0 40 FKAB COc1ccc([C@@H](C)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 1295475 LYEDNWOKJZIYAU-NTKDMRAZSA-N 367.533 5.263 0 40 FKAB biogenic Clc1ccc2c(c1)C[C@H](NCCCN1CCCC1)c1ccccc1S2 2193142 AUABFJWMUPUBNY-IBGZPJMESA-N 372.965 5.164 0 40 FKAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(SC(F)F)cc1 2662378 XCLLAUZDWHDFID-UHFFFAOYSA-N 374.865 5.472 0 40 FKAB CCc1sc(-c2cc3ccccc3oc2=O)nc1-c1cc(C)ccc1C 2964220 NPKCSDJJHPBZLW-UHFFFAOYSA-N 361.466 5.763 0 40 FKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 3359652 VYHYRPVJXWJIIY-CYBMUJFWSA-N 356.516 5.541 0 40 FKAB Cc1noc(C)c1CSc1ccccc1C(=O)NC1CCCCCC1 3402900 LJZGBZWDOSBCNZ-UHFFFAOYSA-N 358.507 5.036 0 40 FKAB Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccc(Cl)cn12 3909883 SDTGAVAHJQVLOT-UHFFFAOYSA-N 353.878 6.077 0 40 FKAB aggregator Cc1cccc(O[C@]2(c3ccc(Cl)cc3)OC(=O)c3ccccc32)c1C 4268394 MQFVLGOZPPYVJY-JOCHJYFZSA-N 364.828 5.407 0 40 FKAB Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccc(O)cc3)nc2n1 4734185 GTEUGIQSVOBWRQ-UHFFFAOYSA-N 358.445 5.079 0 40 FKAB CO[P@@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(Br)cc1 4897900 GXANEENDZKQGIC-YCZVXOAYSA-N 367.179 5.035 0 40 FKAB O=C(O)CCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1 5080425 MLURWHWUQKLTJP-UHFFFAOYSA-N 358.481 6.056 0 40 FKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 5274722 XGDJYDADKWNDEC-SJKOYZFVSA-N 374.937 5.407 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12 6053955 IIWPZACAMPYIIG-AWEZNQCLSA-N 363.844 5.933 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc2C)cc1 6204959 SNGNVXMZLYOLTK-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCCCc1ccc2nc(C)c(CN(CC)Cc3ccccc3)c(O)c2c1 8572607 CCQVWCRHBCTGSP-UHFFFAOYSA-N 362.517 5.614 0 40 FKAB COc1cccc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]2)c1 8744202 LSXNLESDRIFIOZ-UHFFFAOYSA-N 354.453 6.036 0 40 FKAB O=C(CCCc1nc2ccccc2s1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 8944584 HFRIFKFQQYDGPT-BRWVUGGUSA-N 356.535 5.094 0 40 FKAB COc1ccc(-c2nc(-c3cc(C)n(C4CC4)c3C)cs2)c(OC)c1 9386443 GYZHIPLCXKIPKH-UHFFFAOYSA-N 354.475 5.248 0 40 FKAB O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 10218084 JDVMKKUTYLYWLC-UHFFFAOYSA-N 372.490 5.460 0 40 FKAB N=c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c2cc(Cl)ccc2o1 12376971 YCJXZQXZTNQVND-UHFFFAOYSA-N 374.827 5.485 0 40 FKAB biogenic,in-vitro CSc1nc(-c2cc3ccccc3oc2=O)cn1-c1ccc(Cl)cc1 12966781 AFWDOQMNEPSJJQ-UHFFFAOYSA-N 368.845 5.021 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(Nc2cccc(Cl)c2)nc1 13496479 QHVPWKONHGQSEU-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 13709092 NOLZNIGZNMTFAS-ZDUSSCGKSA-N 359.347 5.265 0 40 FKAB CC[C@@]1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 13805927 SWRZFJRLMFYCTM-IEBWSBKVSA-N 371.278 5.119 0 40 FKAB CCCCCC(=O)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 17823068 DOBTYDJDNPQNLR-UHFFFAOYSA-N 359.473 5.448 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 20459460 JUDVJRXZQTWVKE-SFHVURJKSA-N 373.374 5.655 0 40 FKAB CCCc1cc(NCCc2ccccc2)n2ncc(-c3ccccc3)c2n1 27585126 ZXQQTXAIDGMBST-UHFFFAOYSA-N 356.473 5.003 0 40 FKAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C3CCCCC3)o2)cc1C 32945447 PVJLENCMSPYFKL-OAHLLOKOSA-N 358.507 5.406 0 40 FKAB Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)oc2ccc(Cl)cc12 58306582 GQSYZPSCMFIZOI-MOPGFXCFSA-N 369.848 5.045 0 40 FKAB CCN(CC)Cc1ccccc1NCc1cc2ccccc2nc1Cl 59803406 BCWCNXRSYNXIGP-UHFFFAOYSA-N 353.897 5.342 0 40 FKAB C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)C[C@@H](O)C2(C)C 65742809 ZXOXDVMWISJVGJ-OAQYLSRUSA-N 364.485 5.075 0 40 FKAB in-vitro CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C/COP(C)(C)=O 71404872 ITUNKXVAULLNIT-JPLCYUTHSA-N 366.526 7.686 0 40 FKAB CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215623 GPZVVFKCECJGNF-LJQANCHMSA-N 373.541 5.313 0 40 FKAB CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215624 GPZVVFKCECJGNF-IBGZPJMESA-N 373.541 5.313 0 40 FKAB CC(C)(C)[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCCC1 79482579 ITIGQOPKJOKMQR-HNNXBMFYSA-N 351.516 5.296 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cc(C)cc1C 222919694 KGUHOEMJUUFWQR-FQEVSTJZSA-N 353.506 5.705 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225481826 LAHVYNZIHDRSKP-FQEVSTJZSA-N 354.519 5.446 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(F)cc2F)cc1 225499137 DKQXEXJTGYUEIK-SFHVURJKSA-N 364.461 5.047 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(CCc3ccccc3)=CC[C@H]12 2049238442 VBTNPIPMZUSOJR-KCHREOCZSA-N 360.585 7.364 0 40 FKAB O=C(O[C@@H](c1cccc(Cl)c1)c1nccc2ccccc12)c1ccccc1 629061 BHDQMIWSAUUEEI-QFIPXVFZSA-N 373.839 5.835 0 40 FKAB Clc1ccc(-c2csc3ncnc(NCCC4=CCCCC4)c23)cc1 1247361 DCTBGQVNCFASQK-UHFFFAOYSA-N 369.921 6.314 0 40 FKAB Clc1ccc2c(NCCCCN3O[C@@H]3c3ccccc3)ccnc2c1 1640557 MMUAXWUXILQCRK-CGHJUBPDSA-N 353.853 5.026 0 40 FKAB CCCCN(CCCC)C[C@H](O)c1ccc(CCc2ccccc2)cc1 1687295 CTGMNONNCMJGGN-DEOSSOPVSA-N 353.550 5.407 0 40 FKAB Cc1ccc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)cc1C 3060972 JAJFFDZCJJDNQR-YIQFJJPYSA-N 367.492 5.929 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)c2ccccc12 3289465 XYMHPRUZEFCYDP-UHFFFAOYSA-N 372.851 6.308 0 40 FKAB O=C(Cc1c(Cl)cccc1Cl)OCc1ccc(Cl)cc1Cl 3342049 LXHWNIFGRPTCQH-UHFFFAOYSA-N 364.055 5.586 0 40 FKAB Clc1cccc(Oc2nc(-c3ccccc3)nc3c2oc2ccccc23)c1 3671254 GRXRVWRSYFGUTF-UHFFFAOYSA-N 372.811 6.489 0 40 FKAB CCCCCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 4906782 YLNRBTYPFPQMCE-UHFFFAOYSA-N 360.457 5.611 0 40 FKAB CCCCC(=O)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 4982655 VSEUNQURUZDKTN-UHFFFAOYSA-N 363.914 5.324 0 40 FKAB CC(C)c1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1 5023189 MKASJFURFGJAOD-UHFFFAOYSA-N 370.449 5.443 0 40 FKAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1 5256075 BIMZGLAJWKOSHD-HXUWFJFHSA-N 365.864 5.087 0 40 FKAB CC(C)(C)c1cc([C@@H](c2ccncc2)N2CCCC2)cc(C(C)(C)C)c1O 5481514 XPKQZVBYMQCQSB-OAQYLSRUSA-N 366.549 5.567 0 40 FKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C)cc1 5501536 AMCMTAPZLRYKCD-UHFFFAOYSA-N 373.909 5.131 0 40 FKAB CC(C)CC(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1 5976889 XTGKHUVOODIRGS-UHFFFAOYSA-N 362.498 5.425 0 40 FKAB Cc1ccc(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)cc1 6044456 IHQWCEQKJOSYPR-UHFFFAOYSA-N 361.470 5.020 0 40 FKAB COc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl 6130720 UUYOZEDPAQRSKT-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB COc1ccc(NC(=O)Cc2coc3ccc(C(C)C)cc23)cc1Cl 6809869 JOYRGMRADSVZTD-UHFFFAOYSA-N 357.837 5.399 0 40 FKAB Cc1ccc(F)cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 6945145 AOBNUOMYJWSZJY-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB CCOc1ccc(N(C(=O)[C@@H]2C[C@H]2C)c2nc3ccccc3s2)cc1 7779832 CAWNACHOWYIRJQ-CZUORRHYSA-N 352.459 5.016 0 40 FKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SC2=Nc3ccccc3CS2)c1C 8988391 IQYHOIFXZQVJKY-CYBMUJFWSA-N 372.515 5.073 0 40 FKAB O=C1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)c2sccc2N1 12375454 JYFVVWYPEDSTET-MRXNPFEDSA-N 369.873 5.455 0 40 FKAB Cc1nc(COc2ccc(/C=C/c3nc4ccccc4s3)cc2)cs1 12906809 ZNRAQSCOGWGWRT-DHZHZOJOSA-N 364.495 5.811 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 12979080 XPCPBFFRWDIBSC-SNVBAGLBSA-N 362.907 5.324 0 40 FKAB CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 14258484 IFPYTQMZEKNSOY-UHFFFAOYSA-N 362.395 5.120 0 40 FKAB COc1c(-c2nc3cc(N)ccc3o2)cc2ccccc2c1Br 57326842 DZKVOFHSCFFWBH-UHFFFAOYSA-N 369.218 5.001 0 40 FKAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)[C@@H](C)c2ccc(C)s2)n1 84205236 GYXOICQZSMWNFF-INIZCTEOSA-N 368.506 5.084 0 40 FKAB CC(=O)n1c(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 95117355 WCOQMUWZLCFXCO-UHFFFAOYSA-N 371.223 5.930 0 40 FKAB COc1ccc(N(C(=O)c2ccc3[nH]c(C)c(C)c3c2)[C@H](C)C2CC2)cc1 95957867 UHIOFXGBEWQDJW-MRXNPFEDSA-N 362.473 5.239 0 40 FKAB COc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3ccccc3C)c1-2 100534173 CCERHWGCGAJBTE-XUTLUUPISA-N 368.527 5.687 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1C 107027775 WPWGIZSCGBQPPQ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 107737183 WGMMUYCJCPWZPJ-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219053263 MLWBNTXXKAJJKI-GJZGRUSLSA-N 359.897 5.282 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)CCCC2 223019059 LGOJGLMGUJAGNG-HTAPYJJXSA-N 367.558 5.455 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1C(C)C 223327375 PKODLMZIMYFOGV-GOSISDBHSA-N 353.506 5.164 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C 223491428 VGNLIXLDXBZMLM-SJORKVTESA-N 359.897 5.218 0 40 FKAB CC(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408628381 SDJKWKZQKYFHGC-UHFFFAOYSA-N 370.452 5.548 0 40 FKAB CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 408996578 IWRDQMLCJBKRJE-QFIPXVFZSA-N 356.469 5.755 0 40 FKAB CCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 409120386 ZERYLYCIZNZMLK-UHFFFAOYSA-N 365.448 5.588 0 40 FKAB Cc1cc2c(cc1-c1ccnc(Nc3ccccc3)n1)NC(C)(C)C[C@H]2C 575473100 GQOHOOVCAXXTGH-MRXNPFEDSA-N 358.489 5.893 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1 859812 OHBFNXNVDYUYBK-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 861928 HYZITCHPODESQJ-UHFFFAOYSA-N 356.252 5.764 0 40 FKAB O=C1c2ccccc2-c2ccccc2C1(Cc1ccccc1)Cc1ccccc1 2077645 FPCFBDOVLYEWCA-UHFFFAOYSA-N 374.483 6.273 0 40 FKAB Cc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1Cl 2287678 BRALTPAXWYLNAE-KRWDZBQOSA-N 364.876 5.229 0 40 FKAB O=C(OCc1ccc(F)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 3317200 RIHPTYMXUTUMAN-UHFFFAOYSA-N 372.399 5.035 0 40 FKAB Cc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655297 MFVFKKRPMHIIIL-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccccc1 3655905 MNUQOELWPZYXKK-UHFFFAOYSA-N 360.457 5.043 0 40 FKAB Fc1cccc(Cl)c1COc1ccc(-c2cnc3ccccc3n2)cc1 4610493 CQBZYBDMOAZTSE-UHFFFAOYSA-N 364.807 5.668 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2cccs2)s1 4677340 ODJFTIWZURZLBV-UHFFFAOYSA-N 371.274 5.217 0 40 FKAB COc1ccc([C@H](Cc2ccccc2)N(C)C(=O)Nc2ccccc2)cc1 4785167 FFZLSVACFRRBRK-QFIPXVFZSA-N 360.457 5.143 0 40 FKAB C[C@H]1C[C@](C)(C(=O)NCc2ccco2)[C@H](c2ccccc2)c2ccccc21 4852547 ALRCIZCYZVAYTB-YJGRUCBDSA-N 359.469 5.241 0 40 FKAB Cc1ccc(C[S@](=O)c2ccccc2-c2nnc(-c3ccccc3)o2)cc1 5339230 HGLBBGSNHXJSHO-HHHXNRCGSA-N 374.465 5.020 0 40 FKAB O=C1c2ccccc2S[C@H](c2ccc(Cl)cc2)N1Nc1ccccc1 5947412 RUYJOOBLIORUOD-HXUWFJFHSA-N 366.873 5.614 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 7080124 OQFVIGYFADKKPX-INIZCTEOSA-N 359.469 5.469 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2)cc1 7383087 RVMKPVLLGAMBNL-UHFFFAOYSA-N 358.441 5.331 0 40 FKAB CCc1ccc(-c2nnc(SCc3ccc(-c4ccccc4)cc3)o2)cc1 7783054 BULASSOCHLMQOZ-UHFFFAOYSA-N 372.493 6.258 0 40 FKAB Brc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 7847151 CNEISQORSGHBAI-UHFFFAOYSA-N 360.254 6.331 0 40 FKAB Cc1cc(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccccc12 7979231 NGMRAAQBYVZSMA-UHFFFAOYSA-N 360.841 5.067 0 40 FKAB Cc1cc(C)c2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8714107 TZXFIAVQRGFFJR-SBUREZEXSA-N 352.522 5.266 0 40 FKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(F)c1 9190318 WNSQBERBTYFKAS-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB O=C(CCCSc1ccccc1)Nc1nc2ccc(Cl)cc2s1 9473145 BOYYMJJCPNLDGA-UHFFFAOYSA-N 362.907 5.461 0 40 FKAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(Cl)ccc1F 10427441 DMRFFEXLVNPLJX-UHFFFAOYSA-N 365.795 5.070 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cccnc1Cl 16303304 PPJAPYKBVFKYIP-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 17976234 GSONVHVRQDFREG-FGZHOGPDSA-N 371.436 5.312 0 40 FKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1 20107941 ACVSQEWOGICRFL-HXUWFJFHSA-N 365.404 5.414 0 40 FKAB O=C(/C=C/c1ccccc1Cl)NCCSCc1cccc(Cl)c1 20240053 UTMPMQJHLFNOOR-CMDGGOBGSA-N 366.313 5.056 0 40 FKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1ccc(Cl)cc1Cl 23864510 VSCMOIVMRAMYCP-VCHYOVAHSA-N 368.219 5.491 0 40 FKAB CCCCOC(=O)c1ccc(Nc2cc(C)c3cc(C)cc(C)c3n2)cc1 41127831 SJJVKJVCPXMZJS-UHFFFAOYSA-N 362.473 5.861 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=S)N[C@@H](C)c1ccccc1 44195355 HENDZJJHKNKNBP-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB Cc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)c1 49005230 TWHBPUJJENJRPV-KRWDZBQOSA-N 374.488 5.005 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 59291550 ZXLBIVMUOAHVCI-UHFFFAOYSA-N 360.693 5.768 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 59475052 DMEKBKNKRGEICD-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OCC 106993919 JMXYMZHHYWYPPH-UHFFFAOYSA-N 372.267 5.932 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 196420667 SCSHRDRDAUTHLE-LLVKDONJSA-N 373.827 5.156 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222978422 ZKBPSCMKIKWNAW-QVKFZJNVSA-N 371.908 5.254 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1cc(C)ccc1C 223898254 FPUQVVKYHBFLOQ-JPYJTQIMSA-N 365.517 5.217 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224855819 BKBKVASOQUUIIP-LBPRGKRZSA-N 355.381 5.013 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 224936409 IYXWCHQPWPIJKP-GOSISDBHSA-N 366.505 5.125 0 40 FKAB COc1cc(C)c(C(=O)NC(c2ccccc2)c2ccccc2)cc1C(C)C 225664866 FYGRFRDVBHUSNB-UHFFFAOYSA-N 373.496 5.646 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2ccccc12 225794249 UVOPZVHSEBEJJX-JOCHJYFZSA-N 357.494 5.408 0 40 FKAB Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)c(C)c5o4)c3)oc2c1C 226237345 QMOJKMCIJJMNOS-UHFFFAOYSA-N 368.436 6.537 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N 226265991 IUYRMMFVGHYLSM-INIZCTEOSA-N 365.521 5.197 0 40 FKAB CCCCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 253607969 BLQQANOVYWBZAO-BVYCBKJFSA-N 360.538 6.263 0 40 FKAB Cc1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C 408585482 FQWJEIINZNBVBV-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2ccc(Cl)cc2)c1C 409121106 YITRBDJAIJYFBW-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB Cc1oc2cc(O[C@H](C)c3ccccc3)ccc2c(=O)c1Oc1ccccc1 842835 WFTBZTZSMJCIMV-MRXNPFEDSA-N 372.420 6.034 0 40 FKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 997744 VMITWQUXJWZQKA-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB CCSc1nc(SCC)c2c3c(sc2n1)CO[C@H](C(C)C)C3 1243062 RFNYGARXJBRXEM-NSHDSACASA-N 354.566 5.013 0 40 FKAB COc1ccc(C2=C[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1OC 1405932 SABKVJLHEFKROS-LJQANCHMSA-N 362.400 5.408 0 40 FKAB COc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1OC 1463377 ZTYMEPUBWTZINN-OAQYLSRUSA-N 365.454 5.655 0 40 FKAB O=C(C[C@H](Nc1ccccc1)c1ccc(F)cc1)c1ccc(Cl)cc1 2300414 LZRYLYYWTMCLKY-FQEVSTJZSA-N 353.824 5.905 0 40 FKAB O=C1OC(c2ccccc2)=N/C1=C(\SCc1ccccc1)c1ccccc1 3138766 LPCRRENWGVDMJW-MRCUWXFGSA-N 371.461 5.292 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 3850032 KCBHZVKBMOMXJF-NNCNDFJQSA-N 358.566 6.297 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccccc2)(c2ccccc2OC)CCO1 4111105 ZDVSWFOKMBUCNJ-ZEQRLZLVSA-N 367.533 5.092 0 40 FKAB CCCCc1c(O)c2c(n(-c3ccccc3)c1=O)[C@@]1(C)CC[C@@H]2C1(C)C 4114536 JLHXBMHJBVXVAG-GAJHUEQPSA-N 351.490 5.061 0 40 FKAB Cc1ccc(OCCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 4139983 KRXVEBFZOSRPLO-UHFFFAOYSA-N 361.363 5.164 0 40 FKAB CCCCCCSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 4140907 BSDHUXVMDJRKRW-CYBMUJFWSA-N 365.568 5.043 0 40 FKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccccc1Cl 4815460 CTEBLFBMBDPAPE-UHFFFAOYSA-N 364.788 5.106 0 40 FKAB biogenic O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)c1ccccc1-c1ccccc1 5667784 YJINZDHDINSFGD-AUSIDOKSSA-N 359.469 5.478 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1Br 7996057 WXTIQMAPTXGKJV-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Fc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c12 8024110 UXGIROQGGJDTJD-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB O=C(CSc1nc2ccccc2s1)c1ccc(Br)s1 8752053 CKYAQNXICQROPY-UHFFFAOYSA-N 370.318 5.095 0 40 FKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9355392 PGAXKZVBRTYXAF-MWTRTKDXSA-N 352.437 5.474 0 40 FKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)C(C)(C)C)ccc3o2)cc1 9660009 SUOGWWNNFRBPDN-UHFFFAOYSA-N 363.457 5.568 0 40 FKAB biogenic COc1ccc2oc(-c3csc(NC(=O)c4ccccc4C)n3)cc2c1 10883129 KEZKPEQQBJTCJY-UHFFFAOYSA-N 364.426 5.126 0 40 FKAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12620154 AWKMOROOFGZCRL-UHFFFAOYSA-N 368.864 5.437 0 40 FKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(F)c1)C(C)(C)N2 13161823 WBWPYCKNOOMDBW-UZYVYHOESA-N 356.491 5.817 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2[nH]1 17303619 SXYKYCGDTIBAFM-UHFFFAOYSA-N 373.481 5.024 0 40 FKAB CCOc1ccc([C@H]2Oc3ccccc3[C@H]3C[C@@H](c4ccccc4)NN32)cc1 19171712 NNUWRAGPZLVXPM-WMTXJRDZSA-N 372.468 5.169 0 40 FKAB Cc1ccc(CN(Cc2ccncc2)Cc2c[nH]nc2-c2cccs2)cc1 19210154 IBCKQWKXNOKJKD-UHFFFAOYSA-N 374.513 5.044 0 40 FKAB Clc1ccc(CN2CCCN(C3CCCCC3)[C@@H]2[C@@H]2CCC=CO2)cc1 19319512 DGYSLUPPRRWWLE-FCHUYYIVSA-N 374.956 5.199 0 40 FKAB Clc1ccccc1CN1CCCC[C@H]1c1nnc(-c2ccsc2)o1 19349102 QOSXHZPWCWDSAN-INIZCTEOSA-N 359.882 5.179 0 40 FKAB CCCCCCOc1ccc(CNc2cccc(O[C@@H](C)CC)c2)cc1 19737558 XKBFIJWPEFIZDD-IBGZPJMESA-N 355.522 6.435 0 40 FKAB CCOCCOc1cccc(NCCOc2ccccc2[C@H](C)CC)c1 19738520 GOPNEMWIRRRUNT-GOSISDBHSA-N 357.494 5.106 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(F)cc1 20105824 CNKKFYZOZHOGLF-YCRPNKLZSA-N 351.421 5.014 0 40 FKAB Cc1oc(-c2ccccc2)nc1Cn1c(C(F)(F)F)nc2ccccc21 25150253 AYDURBXINFNCKA-UHFFFAOYSA-N 357.335 5.067 0 40 FKAB Cc1[nH]c2ccccc2c1C[C@H](c1ccncc1)c1c(C)[nH]c2ccccc12 32253790 BQQHCTBFOJLJAR-JOCHJYFZSA-N 365.480 6.036 0 40 FKAB COc1ccccc1Nc1c(-c2ccccc2O)nc2ccc(Cl)cn12 35615987 LEWURNAXUZSMGT-UHFFFAOYSA-N 365.820 5.113 0 40 FKAB CCCN1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214560 ULZQGROYUTUFOD-SFHVURJKSA-N 361.530 5.026 0 40 FKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926514 YRMMDRYFJOUBOL-QAKNPMBRSA-N 360.582 5.335 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CSc2ccccc2)cc1C(C)C 223266708 OQOLMZNKMXPIPL-MRXNPFEDSA-N 357.519 5.097 0 40 FKAB Cc1cccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1C 223925685 DQGPYQFSRPJULC-UHFFFAOYSA-N 359.425 5.012 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCSCc2ccccc2Cl)c1 225295215 KBZAQKFREQLIFT-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB COc1cc(C)c(C(=O)Nc2cccc(Br)c2)cc1C(C)C 225655379 LMXULGYOVOVLKD-UHFFFAOYSA-N 362.267 5.142 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(N)c1 226348906 KFYSSGWKHBBCEJ-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB CCc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)cc1 657563 WUHCUKSKVYHOTH-UHFFFAOYSA-N 372.877 5.397 0 40 FKAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)cc1 679121 VECWFZWPZFYGRV-UHFFFAOYSA-N 368.436 5.553 0 40 FKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1F 725732 ZFNNKTWVOVPTLD-IIBYNOLFSA-N 360.432 5.418 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 860944 SDQANEOKKPNILM-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB Cc1cc(OCc2cccc(Cl)c2)c2c3c(c(=O)oc2c1)CCCC3 944805 UMOITDDPTYBTNF-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB COc1ccc(-c2csc3ncnc(Oc4ccccc4OC)c23)cc1 2663373 ZCLRXMJNSHZUOG-UHFFFAOYSA-N 364.426 5.168 0 40 FKAB CCCC1CCC(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)no2)CC1 3022816 PYCDAGSBLLMBNN-UHFFFAOYSA-N 364.464 6.617 0 40 FKAB COc1cc(SC)ccc1C(=O)OCc1ccc(Cl)c(Cl)c1 3341402 WTXBWBRBYPZOII-UHFFFAOYSA-N 357.258 5.081 0 40 FKAB CC(C)CN(C(=O)c1cc2ccccc2o1)c1nc2ccccc2s1 3379245 BZJYUVKAOPTENZ-UHFFFAOYSA-N 350.443 5.345 0 40 FKAB Cc1ccc(Oc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 4071674 ODMBZQJWSJMYOR-UHFFFAOYSA-N 367.832 5.458 0 40 FKAB CC[C@@]1(C)C[C@](CCNCc2ccc(OC)cc2)(CCC(C)C)CCO1 4073131 PGHBRKUZBUZSHJ-GOTSBHOMSA-N 361.570 5.577 0 40 FKAB biogenic Cc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@H]32)c1 4119496 HEBTXPGHJAJQOE-NZQKXSOJSA-N 355.462 5.775 0 40 FKAB CCCc1c(C)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1C 5112016 BQEHDXWXJOVECN-UHFFFAOYSA-N 358.894 5.332 0 40 FKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 5685060 GMSHZYDGYZUPOB-UHFFFAOYSA-N 371.461 5.984 0 40 FKAB Clc1ccc(CSc2ncnc3sc4c(c23)CCC4)cc1Cl 5753064 BXMMADHCGSLMBT-UHFFFAOYSA-N 367.326 5.779 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(C(F)(F)F)cc1 6392973 MVFXAKZASQDYDA-KRXBUXKQSA-N 360.162 5.664 0 40 FKAB COc1ccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 7986766 AGFNJZPUUUJONF-UHFFFAOYSA-N 351.406 5.250 0 40 FKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc2c(c1)CCC2 8262604 CXSJZLBTUAMSSK-UHFFFAOYSA-N 368.889 5.133 0 40 FKAB COc1cccc(-c2nc3cc(NC(=O)c4cc(C)cc(C)c4)ccc3o2)c1 8335552 RCUFHZFPMKWGKX-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063321 QHVVMDXWMSSFQI-UHFFFAOYSA-N 370.924 5.062 0 40 FKAB C[C@@H]1Oc2c(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cccc2[C@@H]1C 9579260 DTXIBQQLTJRPHS-RDBSUJKOSA-N 366.486 5.014 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 14002886 HCBOAIPHABANON-UHFFFAOYSA-N 371.868 5.000 0 40 FKAB Cc1cc(C)cc(CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 15494615 NBSPCNXANBMOMO-AWEZNQCLSA-N 367.436 5.583 0 40 FKAB Cc1cc2oc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c(C)c2cc1Cl 15833234 YIMGYVDNISAHBN-SECBINFHSA-N 374.893 5.537 0 40 FKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2cc(Cl)ccc2C)s1 15840164 LYJYKPBMTOWSGE-UHFFFAOYSA-N 362.907 5.323 0 40 FKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2C)c2ccccc2)cc1 20041836 RPJFXTPTYXRAOY-YKSBVNFPSA-N 373.496 5.285 0 40 FKAB CC(C)CC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20468496 NGQOEJBUCIIKPY-UHFFFAOYSA-N 367.474 5.014 0 40 FKAB O=C(CCc1cccnc1)Nc1ccccc1Oc1ccccc1Cl 24401374 OGPRTBWZJVZNHV-UHFFFAOYSA-N 352.821 5.099 0 40 FKAB Cc1nc(CSCCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cs1 30215612 HCKZVEBBKHKWDP-ZDUSSCGKSA-N 374.531 5.041 0 40 FKAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1cc(-c2ccco2)on1 40067110 NJGWQQFKDWYFAZ-NSHDSACASA-N 351.233 5.434 0 40 FKAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccnc1Oc1ccccc1 47890683 WCUUSGLLIUDWJE-UHFFFAOYSA-N 371.396 5.090 0 40 FKAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cccc(F)c3)co2)c(C)c1 48276875 RPIOGQVBLILOCW-OAQYLSRUSA-N 350.437 5.435 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(Oc2ccccn2)c1 96122675 NYZKVJSGCRBIDP-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@@H](c2ccccc2)C1 100433678 ICBYPXXEXQENKC-WAIKUNEKSA-N 372.493 6.377 0 40 FKAB CC(C)CC[C@H](CCN[C@H](C)c1cccs1)[C@H]1CCOC(C)(C)C1 102779506 LUPYCHXACSWWHP-QRVBRYPASA-N 351.600 6.046 0 40 FKAB CC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914818 PCFLWNUQAQQXOU-CYCHAPMCSA-N 358.566 6.297 0 40 FKAB Cc1ccc([C@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 216283735 PIYQJYNSTAGZGW-INIZCTEOSA-N 360.482 6.069 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)c1 218986093 GATGAHPMSFZZLW-IBGZPJMESA-N 359.469 5.373 0 40 FKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3cccc4ccccc34)cc2)C1 222868600 GKCYFBJWPCXFBR-IBGZPJMESA-N 372.512 5.002 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)CCCC2 223018924 LGOJGLMGUJAGNG-VGOFRKELSA-N 367.558 5.455 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224039939 QYGUNKSJLKEMKS-UHFFFAOYSA-N 371.480 6.455 0 40 FKAB CCOc1ccc(C(=O)N2CCCCC2)cc1CSc1ccccc1 224654856 WYQDQJJKEGQXSZ-UHFFFAOYSA-N 355.503 5.004 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225334837 VPMUTJVUHZLBIF-CQSZACIVSA-N 350.289 5.420 0 40 FKAB S=C(NCc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 408571941 DKRRJCVHFTXRRY-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB Clc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 904174 UXKDIMJQJKHSRW-UHFFFAOYSA-N 360.288 6.053 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)/C(Br)=C/c1ccccc1 955794 ZOACZGQDLAQYGA-RAXLEYEMSA-N 370.168 5.080 0 40 FKAB CC(C)CC(=O)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 1345584 LEAWCYFEIRMKRZ-UHFFFAOYSA-N 363.914 5.180 0 40 FKAB CC(=O)O[C@H]1c2ccccc2N[C@H](c2ccc(Br)cc2)C1(C)C 1445833 IDACFZAQMMOCEQ-MSOLQXFVSA-N 374.278 5.246 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 2517204 UQSMUDBQSKWBSN-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)o1 3904772 HKTXXPVZRAWXCN-ZJSXRUAMSA-N 372.468 5.954 0 40 FKAB COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1 4153322 GMHBQKAVVHKCSS-QHCPKHFHSA-N 358.441 5.060 0 40 FKAB CC1(C)S[C@@H](Cn2c3ccccc3c3ccccc32)CN1c1ccccc1 5261008 JXXMOGGIXZHDGP-IBGZPJMESA-N 372.537 6.153 0 40 FKAB Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 5485215 KWZITGFDRCTTQD-FXAWDEMLSA-N 360.457 5.489 0 40 FKAB CCCCc1ccc2nc(NC(=O)c3cccc(OCCC)c3)sc2c1 6398143 XQVYUEKTJZYKTF-UHFFFAOYSA-N 368.502 5.680 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc2ccccc2n1 10219564 VVPXFAROOZHCDV-UHFFFAOYSA-N 350.727 5.159 0 40 FKAB C[C@@H](NCc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 10473917 FZSKIGQHTBMLSH-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB C[C@@H]1CCCc2c1nc1sc3c(c1c2-c1cccc(F)c1)CCCC3 12610174 ZUIUDHRPTYMJKT-CYBMUJFWSA-N 351.490 6.421 0 40 FKAB CCOC(=O)c1ccccc1/C=C/c1ccccc1C(=O)Oc1ccccc1 13404221 WGGPZKBXIFYJAR-WUKNDPDISA-N 372.420 5.253 0 40 FKAB O=C(/C=C/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 14658375 BADLEYLQAILHPV-AZMZBSBOSA-N 367.489 5.114 0 40 FKAB endogenous,in-man O=C(COc1ccc(C2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3 16401274 IBRLKXYVFWNTFF-UHFFFAOYSA-N 367.533 5.054 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 17073602 OMUYJOFZWOIORW-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB Cn1c(S)nnc1-c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 17076673 KVBKLUJGVFVAEJ-UHFFFAOYSA-N 374.513 5.284 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 28287773 WQYZQFUFEASRMQ-UHFFFAOYSA-N 355.434 5.133 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 30870248 CQHVBRKNFTYJLP-UHFFFAOYSA-N 365.473 5.356 0 40 FKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(Cl)cc1 35647428 BNEPXUFKHHSYHK-VGOFMYFVSA-N 367.232 5.024 0 40 FKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 36646403 BCNJOMJGKNQMNJ-UHFFFAOYSA-N 369.892 5.607 0 40 FKAB Clc1ccc(N2CCN(C3=Cc4ccccc4CC3)CC2)cc1Cl 55145580 FVWIYGQSQOHHOY-UHFFFAOYSA-N 359.300 5.103 0 40 FKAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1 71280863 CFHCHKDKDCXRMK-CQSZACIVSA-N 355.825 5.501 0 40 FKAB CCC(=O)c1cccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c1 82087380 ZKTARMHNARPNCS-UHFFFAOYSA-N 355.821 5.548 0 40 FKAB Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)nc1-c1ccc(F)cc1 95347418 FDLUOZRWQKTZII-JKSUJKDBSA-N 370.424 5.139 0 40 FKAB O=C(c1ccccc1)c1coc2ccc(OCc3ccc(Cl)cc3)cc12 96184074 FDMPCRKYXAPUAG-UHFFFAOYSA-N 362.812 5.896 0 40 FKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1cccc2ccccc12 214951184 PBSRIIRNORQVHY-CRBYHUFUSA-N 371.461 5.633 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223473410 KFDCANCNGLQSGH-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB CCOc1ccc(C(=O)NCCC(C)C)cc1CSc1ccccc1 224656421 MRDSROHHRXONBZ-UHFFFAOYSA-N 357.519 5.154 0 40 FKAB CC(C)c1ccccc1O[C@H](Cc1ccc(Cl)cc1Cl)C(=O)O 225085818 LZKGSSAXXZCSMY-QGZVFWFLSA-N 353.245 5.192 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)nc2c1 225260289 PXQDRZWCIKXNNB-UHFFFAOYSA-N 359.473 5.159 0 40 FKAB CCOc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225848588 VSVRBKFENBRCAL-UHFFFAOYSA-N 368.546 5.317 0 40 FKAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 226260736 CZKNSQYQAIZNBS-UHFFFAOYSA-N 359.473 5.034 0 40 FKAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408594627 IVPYTEUDZHVMEJ-UHFFFAOYSA-N 373.692 5.082 0 40 FKAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 408719180 KETZGRRJIYQSPT-XDHOZWIPSA-N 366.486 5.224 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 673159 SKOZHNXIEJLXMG-UHFFFAOYSA-N 374.390 5.741 0 40 FKAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 892237 XADPEIWPHYKLNI-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=O)c1cccc2ccccc12 1049832 VJYPRLUHGHHJFP-UHFFFAOYSA-N 354.247 5.471 0 40 FKAB O=C(Nc1ccc(F)cc1)c1c(Cl)nsc1-c1ccccc1Cl 2557732 MINBRSQDBDACKQ-UHFFFAOYSA-N 367.232 5.508 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2ccccc2-c2ccccc2)c1 2629382 GGQWGHSEKCDADI-UHFFFAOYSA-N 372.415 6.181 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 3299870 DUXSKOQRZHUFHG-CYBMUJFWSA-N 351.368 5.236 0 40 FKAB CCCCCC[C@H](C)OC(=O)CCCCC(=O)O[C@@H](C)CCCCCC 4409875 RTUMJAGKSDIHOW-PMACEKPBSA-N 370.574 6.351 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2c1 4917558 GFCIXIPKPWZEQT-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB Cc1cc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 5315384 XPVUUAZJUHKURM-UHFFFAOYSA-N 374.897 5.302 0 40 FKAB O=C(CCC1CCCC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5670940 LSKXHESGUUZQRF-UHFFFAOYSA-N 369.317 6.026 0 40 FKAB Cc1ccc(C)c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 6315071 YACRNYOJFVSBFL-UHFFFAOYSA-N 372.493 5.617 0 40 FKAB COc1ccc(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl 6948234 YEUWNTVARDQTNT-UHFFFAOYSA-N 356.274 5.041 0 40 FKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(F)cc1 7522905 JWVYHVNPQHRBJV-UHFFFAOYSA-N 371.496 5.616 0 40 FKAB COc1ccc2[nH]c(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2c1 9483489 NFIWQWXKGORNFC-UHFFFAOYSA-N 372.424 5.008 0 40 FKAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(-c2ccccc2)cc1 12276911 QCGAECLYTFTZBG-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 13670784 MMWGYWSWYYMPTN-GOSISDBHSA-N 373.521 5.879 0 40 FKAB Cc1c(C(=O)Nc2c(Cl)cccc2Cl)oc2c1[C@@H](O)CC(C)(C)C2 16740266 SDPQNVZXKROATD-LBPRGKRZSA-N 368.260 5.153 0 40 FKAB CN(Cc1coc(-c2cccs2)n1)C(c1ccccc1)c1ccccc1 23705509 SXHPRZQYVBYSTF-UHFFFAOYSA-N 360.482 5.625 0 40 FKAB COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 27662688 YLBPWTSEUKYLBY-UHFFFAOYSA-N 360.457 5.061 0 40 FKAB CCn1c2ccccc2c2cc([C@H]3NCCc4c3[nH]c3ccccc43)ccc21 38330957 ASSWMQPRKRHWSP-XMMPIXPASA-N 365.480 5.531 0 40 FKAB CC1(C)COC(CCCC(=O)c2cccc(Oc3ccccc3)c2)OC1 43214511 WNFFUHDZYVGKQW-UHFFFAOYSA-N 354.446 5.231 0 40 FKAB COc1ccccc1/C=C/C1N(c2ccccc2)CCN1c1ccccc1 59474621 KDJPIATUOKUZKR-WUKNDPDISA-N 356.469 5.061 0 40 FKAB Cc1ccc(C[C@H]2CCCN(C(=O)CCc3ccc(Cl)s3)C2)cc1 84148781 BFGHIDQUZPFWGC-QGZVFWFLSA-N 361.938 5.124 0 40 FKAB Clc1ccccc1/C=C1\c2ccccc2-c2ccc(Br)cc21 90549804 QRRHSQWZGDECJM-WOJGMQOQSA-N 367.673 6.672 0 40 FKAB Cc1ccc(CN2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)o1 96100174 GDRKFHFZOTZESB-UHFFFAOYSA-N 358.485 5.130 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)O[C@H](C)C(C)(C)C)ccc12 98095549 CYDMOFDZVMDHJF-JNDILOIQSA-N 372.785 5.408 0 40 FKAB c1ccc(/N=c2\cc(-c3ccc4c(c3)OCCO4)oc3ccccc23)cc1 100392647 OIFFTKWAERSXPA-LYBHJNIJSA-N 355.393 5.103 0 40 FKAB biogenic,in-vitro CCC(=O)Nc1c(-c2cc(=O)oc3ccc(CC)cc23)oc2ccccc12 100653774 BDJWWQADJHHCRN-UHFFFAOYSA-N 361.397 5.117 0 40 FKAB biogenic OC1=C2C(=Nc3ncnn3[C@@H]2/C=C/c2ccccc2)C[C@H](c2cccs2)C1 102674987 FEOUZZUXPUQAHF-IVAPMYIESA-N 374.469 5.070 0 40 FKAB Cc1nc2ccc(NC(=S)N(C)c3ccc4ccccc4c3)cc2nc1C 108007649 SAVJHLVFWAGMJD-UHFFFAOYSA-N 372.497 5.233 0 40 FKAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)cc1C 223214974 CUOZVEYFHOJHTN-OAQYLSRUSA-N 353.506 5.382 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225826047 DPNKEVVWWLRQAU-JOCHJYFZSA-N 357.494 5.551 0 40 FKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cc(Cl)ccc2C)n1 225917713 HHWRIHBZCRFGEZ-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB CCCCOc1cccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)c1 408619237 AMYADJBZSSQFLQ-UHFFFAOYSA-N 374.868 5.120 0 40 FKAB COc1cc(OC)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 683170 RENILLNKAHPVAH-UHFFFAOYSA-N 371.477 5.212 0 40 FKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 828048 HVGZDGMUDSFDHE-UHFFFAOYSA-N 374.465 5.614 0 40 FKAB O=C(Nc1cccc(Br)c1)c1sc2ccccc2c1Cl 894387 CWRXJPOFTHKVNW-UHFFFAOYSA-N 366.667 5.570 0 40 FKAB COc1ccccc1[C@@H](Nc1cccc(F)c1)c1c(C)[nH]c2ccccc12 1298074 KFSNQMMPEDWCOM-HSZRJFAPSA-N 360.432 5.826 0 40 FKAB CC(C)=Cc1oc2c(Cl)cc(Cl)cc2c1N1C[C@@H](C)O[C@H](C)C1 1300920 ZYZVKZRWFQTTBI-VXGBXAGGSA-N 354.277 5.776 0 40 FKAB CSc1nc(Oc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1 1386982 DHBQHCDOZUWPSZ-UHFFFAOYSA-N 354.275 5.028 0 40 FKAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2082436 WKGCIQWSBDQQFS-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB CCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2088217 AJKWMDAJECKJKZ-UHFFFAOYSA-N 359.256 5.348 0 40 FKAB Cc1nn2c(N[C@@H](C)c3ccccc3)cc(C(C)C)nc2c1-c1ccccc1 2331272 YFIMLDRVZADTOF-KRWDZBQOSA-N 370.500 6.001 0 40 FKAB Cc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F 3342279 GUIAXRNGOMBNPX-UHFFFAOYSA-N 363.819 6.375 0 40 FKAB Brc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 3644652 WKIVAQYYMTXMAG-UHFFFAOYSA-N 368.274 5.640 0 40 FKAB CCCC(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162548 NMQMZXDBWCTGMH-UHFFFAOYSA-N 356.809 5.077 0 40 FKAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(OC(=O)C(C)(C)C)cc12 4340712 ZBKSVQLRBYNMAQ-UHFFFAOYSA-N 370.832 5.373 0 40 FKAB biogenic CC[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 4358291 AOUWTGIEFIEWFQ-ZJSPYRCASA-N 371.524 5.719 0 40 FKAB CC1=C(C)[C@H](N(c2ccccc2)c2ccccc2)N(Cc2ccccc2)C1=O 4662855 JLSWQRFCNBNTKS-DEOSSOPVSA-N 368.480 5.530 0 40 FKAB Cc1ccc(-c2cnc(NCc3c(Cl)cccc3Cl)n2C)cc1C 4679303 LIVNFYJKIOYUMW-UHFFFAOYSA-N 360.288 5.623 0 40 FKAB c1ccc(CCN2CC[C@@H](COC(c3ccccc3)c3ccccc3)C2)cc1 4792338 UFVNAHDXHDOAGK-HSZRJFAPSA-N 371.524 5.357 0 40 FKAB CCOc1cc(CNCc2cccs2)ccc1OCc1ccccc1 5019728 YUUQLTPJDQMEND-UHFFFAOYSA-N 353.487 5.016 0 40 FKAB Clc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2[nH]1 5072842 CLGUIPXZPUPMMQ-NRFANRHFSA-N 372.859 5.572 0 40 FKAB CC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1 5408170 UEACYNBCJMLKEX-UHFFFAOYSA-N 357.812 5.126 0 40 FKAB aggregator COc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)cc1 5527128 CPAQKJZALRCFMW-UHFFFAOYSA-N 372.399 5.302 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 5614696 NVYYRIVLILPDPU-UHFFFAOYSA-N 365.260 5.374 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6241112 HURCHSQCLZXKAX-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB c1ccc(-c2cnc(CSc3nnc(-c4c[nH]c5ccccc45)o3)o2)cc1 8187689 GIOMKTHFCATTTF-UHFFFAOYSA-N 374.425 5.165 0 40 FKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CC[C@@H](C)C4 12633335 IUIKXWSYXJKZOV-CVEARBPZSA-N 361.554 6.603 0 40 FKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Cl 14651622 IOLXWJHMSHBYKZ-UHFFFAOYSA-N 368.658 5.144 0 40 FKAB CCCOc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 14657308 LLAMSAYAIVFJAF-UHFFFAOYSA-N 356.447 5.061 0 40 FKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 15011673 DFNCJBWOFMPZAQ-UKTHLTGXSA-N 350.226 5.234 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(N5CCCCC5)=CC[C@]34C)[C@@H]1CC[C@@H]2O 17429608 RCEDLDDSTBBSOK-OIEMOICNSA-N 357.582 5.370 0 40 FKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)C2CCCC2)n1 19690905 ZIRXFLWMIYFRFV-QHCPKHFHSA-N 362.517 5.143 0 40 FKAB Cc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)cc1 20111134 QUPBAEKANOWNGA-UHFFFAOYSA-N 361.510 5.560 0 40 FKAB CCc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)o1 24832991 QBGFDSSPAUTXKI-UHFFFAOYSA-N 363.442 5.246 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(C2CC2)nc2onc(C3CC3)c12 36617473 IJJPCSOIWZNRMS-UHFFFAOYSA-N 371.799 5.022 0 40 FKAB C[C@@H]1CCCCN1C(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127540 GGSNJHLGUQGCCC-CYBMUJFWSA-N 354.837 5.163 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 44884656 QSVUHPNZORILKB-CYBMUJFWSA-N 368.329 5.412 0 40 FKAB SC1=N[C@@H](c2ccc(OCc3ccccc3)cc2)C=C(c2ccccc2)N1 53992978 VKTMXAQAFFKVFQ-JOCHJYFZSA-N 372.493 5.237 0 40 FKAB COc1ccc(N(C(=O)c2ccc3[nH]c(C)c(C)c3c2)[C@@H](C)C2CC2)cc1 95957866 UHIOFXGBEWQDJW-INIZCTEOSA-N 362.473 5.239 0 40 FKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)Cc1coc3ccc4ccccc4c13)C2 100860143 MSKTWIRSGRAZTP-WSCWJOSJSA-N 361.485 5.460 0 40 FKAB CC[C@]1(C)C[C@](CCN[C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 102760618 FRRPVDBEADNXFW-DUXKGJEZSA-N 351.962 6.002 0 40 FKAB COc1cccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 104172005 CSIWMQUUJZZHIW-QHCPKHFHSA-N 371.461 5.946 0 40 FKAB COc1cc(CNc2ccccc2)ccc1OCc1ccccc1Cl 107040888 KURZLTSSGXBPSQ-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 222999345 QZSZECIADSWVJN-UHFFFAOYSA-N 371.786 5.247 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223072564 XXKNNJRYHGERCE-QVKFZJNVSA-N 371.908 5.254 0 40 FKAB O=C(Nc1cccc2ccccc12)c1cc2cc3ccccc3nc2s1 223128369 HCRFIRXGWVEXMD-UHFFFAOYSA-N 354.434 5.855 0 40 FKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1 224086039 BLBWXFRQVZLQMH-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CCc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1 226286102 JRYDLCVFYJHTSO-UHFFFAOYSA-N 354.409 5.218 0 40 FKAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253617587 XFQZMLHHLMNCGB-OKYMEDOASA-N 362.554 5.102 0 40 FKAB COc1ccc2ccccc2c1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408557169 NIOAYBGSNAAPHS-FQEVSTJZSA-N 369.873 5.280 0 40 FKAB O=C(CCCCCn1cccc1)N1CCC[C@H]1c1nc2ccccc2s1 604418618 KUUVMGGKBUEGLQ-SFHVURJKSA-N 367.518 5.022 0 40 FKAB O=C(O)/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 159267 BLPUJDWDLFXOJQ-DUXPYHPUSA-N 350.214 5.082 0 40 FKAB CCCC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2CCCC)cc1 1806983 ZFRQJCSUEYJJQM-WOUAJJJCSA-N 356.510 5.216 0 40 FKAB Cc1nn2c(N[C@H](C)c3ccccc3)cc(C(C)C)nc2c1-c1ccccc1 2331273 YFIMLDRVZADTOF-QGZVFWFLSA-N 370.500 6.001 0 40 FKAB Cc1nc(SCC(=O)c2cc3ccccc3o2)c2oc3ccccc3c2n1 2404684 MYVOHMNROAKURT-UHFFFAOYSA-N 374.421 5.406 0 40 FKAB Cc1ccc([C@@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 3101868 DKEARUXPJORAQB-QHCPKHFHSA-N 358.481 6.239 0 40 FKAB Cc1ccccc1NC(=S)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3145408 AUSBPQXEGXYQOK-UHFFFAOYSA-N 355.547 6.083 0 40 FKAB biogenic O=C(Nc1ccc(F)cc1F)c1cc(-c2ccco2)nc2ccccc12 3244549 HTRGVZFMYPJGKT-UHFFFAOYSA-N 350.324 5.025 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(F)ccc2F)cc1OCC 3451684 NKJNMZXFFSQCJF-UHFFFAOYSA-N 369.795 5.058 0 40 FKAB COc1ccc(/C=C(\Oc2ccccc2)c2nc3ccccc3s2)cc1 3849566 YEQXWKBTICPBIP-HKWRFOASSA-N 359.450 5.882 0 40 FKAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 4320411 AVEHQTVVDAUSDW-UHFFFAOYSA-N 351.833 5.196 0 40 FKAB CCc1ccccc1NC(=O)c1cc2sccc2n1Cc1ccccc1 4970891 UXRHHKXXLUYILR-UHFFFAOYSA-N 360.482 5.566 0 40 FKAB C[n+]1ccccc1/C=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1 5002326 YHDOHOFUEIROAD-VAWYXSNFSA-N 356.367 5.493 0 40 FKAB Cc1cc(NC(=O)Nc2ccccc2)ccc1NC(=O)Nc1ccccc1 5379237 FFMMUNCNFJQZJR-UHFFFAOYSA-N 360.417 5.283 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 5383808 HKEYUYSHZGIFEA-SDNWHVSQSA-N 361.529 5.479 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1sc2cc(F)ccc2c1Cl 5416685 WHLGGWQTVOWGSW-UHFFFAOYSA-N 363.885 5.392 0 40 FKAB Clc1ccc([C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1 6114987 BAQHDLBCOFKBRJ-SFHVURJKSA-N 351.862 5.264 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(Br)ccc1Cl 6240679 CDPDDNOOJMQQSQ-UHFFFAOYSA-N 363.013 5.147 0 40 FKAB CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Cl)c1OCC 6354898 QOJXSPZREUYDJT-BOPFTXTBSA-N 360.862 5.467 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(OCc2ccccc2Cl)cc1 6857392 DCYIHGSIZYVWDQ-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(C(F)F)cc1 8378846 DQRTXVXYUHIKFF-UHFFFAOYSA-N 372.234 5.118 0 40 FKAB Fc1ccc(CNc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 8428814 WKHNGARTDYSXGF-UHFFFAOYSA-N 353.397 5.249 0 40 FKAB Fc1ccc(-c2cnc(SCc3cc(-c4ccccc4)on3)o2)cc1 10845881 KOMCNFVUVBJKII-UHFFFAOYSA-N 352.390 5.428 0 40 FKAB O=C1C[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)c2sccc2N1 12428711 OBLUJBZKEUFJEB-QGZVFWFLSA-N 369.873 5.455 0 40 FKAB CCOc1ccc(Oc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 12847688 JLTLMZBEWUCJTH-UHFFFAOYSA-N 366.364 5.415 0 40 FKAB Clc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 17028539 NSCFGWYPAZKGQX-UHFFFAOYSA-N 366.251 6.347 0 40 FKAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 17074701 AADQHPVLCRTYMO-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)cc1 20023922 QHJFZRZJTLEWRW-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB CC(C)(C)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1 21002802 QSJABOONNDVADN-UHFFFAOYSA-N 370.452 6.045 0 40 FKAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(-c2ccccc2Cl)o1 23889810 CMDPODJFPZUOKZ-UHFFFAOYSA-N 363.804 5.038 0 40 FKAB Cc1ccc2nc(SCC(=O)N(c3ccccc3)C(C)C)sc2c1 27027164 YLYVCIYPNISIIJ-UHFFFAOYSA-N 356.516 5.138 0 40 FKAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N(Cc1ccco1)C1CC1 29270108 MTKIQFUWZKNSDX-UHFFFAOYSA-N 370.452 5.087 0 40 FKAB CC(C)CC[C@H](CCN[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 32094432 XFVIWMOPUHYFLJ-UYAOXDASSA-N 351.962 5.797 0 40 FKAB CCOc1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1OCC 44884298 JIVOWUKZAPORMX-UHFFFAOYSA-N 361.869 5.017 0 40 FKAB Cc1[nH]c2ccccc2c1CSCC(=O)Nc1cccc2ccccc12 59417496 HKJNCPJILFNVOJ-UHFFFAOYSA-N 360.482 5.501 0 40 FKAB CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215407 VMQYTVYMSRJUJL-IBGZPJMESA-N 373.541 5.313 0 40 FKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3c2C1 95947817 AYTWWQPDNQHUBC-LLVKDONJSA-N 373.283 5.852 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222968364 UFRZBAASZZYXGV-QZTJIDSGSA-N 365.517 5.334 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521154 KMHBPCACMPUVJK-UHFFFAOYSA-N 355.453 5.373 0 40 FKAB COc1cccc(NC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 225758996 CTYRVPBVJVLBKX-LJQANCHMSA-N 366.461 5.043 0 40 FKAB CCCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c2ccccc12)C1CC1 225859166 ZPBZHHYPQRFNNB-QHCPKHFHSA-N 369.505 5.408 0 40 FKAB CCN1c2ccccc2S[C@]12C=Cc1cc(Br)ccc1O2 226864170 MEVBVWWZGOKHFZ-QGZVFWFLSA-N 360.276 5.141 0 40 FKAB CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C)=C\C(=O)O 504224204 GVGQZXQAFNUDJB-QOZNPEFCSA-N 352.518 6.272 0 40 FKAB COc1ccc2nc(C)cc(SCc3ccc(C(C)(C)C)cc3)c2c1 915666 FWPINFLWQRKXMK-UHFFFAOYSA-N 351.515 6.142 0 40 FKAB Cc1ccc(-c2nnc(N(C(=O)CCC3CCCC3)C(C)C)s2)cc1 1345465 JJPNUYSSPXFMIO-UHFFFAOYSA-N 357.523 5.225 0 40 FKAB Cc1cccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)c1 2740212 CUKVRFCPIRQSHB-UHFFFAOYSA-N 370.496 5.831 0 40 FKAB CCCCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 3079589 NTPYZQOPMDILFU-UHFFFAOYSA-N 373.905 6.376 0 40 FKAB CC(C)(C)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 3393787 JICXUTNBWMCRKV-UHFFFAOYSA-N 357.453 6.065 0 40 FKAB Cc1cccc(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)s2)c1 4072098 GQOCFOAMJOILIQ-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C 4671774 FDFYIDPGADEJDC-VGSWGCGISA-N 364.489 5.096 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)o1 5100019 SFCCSRVKUMNCNR-WIYYLYMNSA-N 364.832 5.484 0 40 FKAB CN(C)CCC[C@]1(c2cccc(Cl)c2)SC(C)(C)c2ccccc21 5181198 XXKSIEJHMBPUQD-OAQYLSRUSA-N 359.966 5.907 0 40 FKAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 5860859 MGIYHIKJZMLCJL-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB Cc1ccc(C)c(OC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 6204075 AGHHBLJSCXOMSN-UHFFFAOYSA-N 365.281 6.353 0 40 FKAB O=C(c1ccco1)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 6423342 QUCKXFOSPJMNLZ-UHFFFAOYSA-N 370.235 5.820 0 40 FKAB Fc1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1 7847857 NRFRZCVRJOJFHK-UHFFFAOYSA-N 351.783 6.500 0 40 FKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1F 10220058 LXGCCIAIYPVXMX-SFHVURJKSA-N 373.431 5.261 0 40 FKAB O=C(c1cccc(Cl)c1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1 11071737 VEZLDAYTFYHWBC-UHFFFAOYSA-N 371.267 5.404 0 40 FKAB CC(C)(C)c1ccc2oc(=O)cc(-c3cc4cc(Cl)ccc4o3)c2c1 11869688 ICUYHHVGLCWDQA-UHFFFAOYSA-N 352.817 6.157 0 40 FKAB biogenic CC(C)CCOc1cccc(NC[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 19738372 KDMREIMRDIAZFL-LJQANCHMSA-N 369.549 6.288 0 40 FKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576368 NMQLVNRAVNYZDI-INIZCTEOSA-N 370.468 5.246 0 40 FKAB O=C(NC1CCCCC1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 27298453 WEGXPPSXUJAABN-UHFFFAOYSA-N 372.468 5.155 0 40 FKAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(Cl)c1Cl 32930539 CEYIBEQQFVSULX-UHFFFAOYSA-N 373.239 5.111 0 40 FKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=CC[C@@H]32)C1 35565103 MZWRIOUCMXPLKV-PPSMKJHDSA-N 356.506 5.006 0 40 FKAB biogenic CC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)Nc1cccs1 44225629 HNROOHQJIVZCGP-UHFFFAOYSA-N 357.460 5.079 0 40 FKAB CC(C)c1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccco4)C3=C(O)C2)cc1 102402305 YAKNFRYRCNIQPA-IERDGZPVSA-N 374.444 5.060 0 40 FKAB Clc1ccc(Cn2c(C3=CS[CH]N3)nc3ccccc32)c(Cl)c1 103124295 WLNLVYPFBQOUQP-UHFFFAOYSA-N 361.277 5.145 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915043 CLPGKLFDFQUHLE-QGZPSTLZSA-N 360.538 5.166 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118932288 KDLNOQQQEBKBQM-PDYCJABKSA-N 372.549 5.476 0 40 FKAB COc1c(C)cc(O)c(-c2c(O)c(Br)cc3ccccc23)c1C 169796301 HSCHXNQLSKZFQW-UHFFFAOYSA-N 373.246 5.306 0 40 FKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223197104 NDXIONAHKHSQSH-SJORKVTESA-N 365.517 5.118 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)COc2cccc(C)c2C)cc1C(C)C 223371252 GVIHECUENMIEJH-SFHVURJKSA-N 369.505 5.000 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)nc2c1 225261249 VKYRXEGFXMJLTA-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1Cl 225329163 UZTCJCMGHGDGFZ-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2ccccc12 225822926 QNXORQATUFMRJH-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB Cc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)n1 225873236 OLZCLSKOYODPLG-UHFFFAOYSA-N 373.953 5.275 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c2cccnc12 225894664 YKSIPZUOJJCZEX-JOCHJYFZSA-N 372.509 5.194 0 40 FKAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@@H]21 227486237 OFOJPDNZFLWDCH-CVDCTZTESA-N 374.440 5.229 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)cc1 248097478 OEEUMMUJRBYRAO-RXVVDRJESA-N 364.832 5.484 0 40 FKAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 409000485 YJIBNGPWMZCUFV-QFIPXVFZSA-N 374.509 5.796 0 40 FKAB CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OC 409114878 QWKUYSLMKPCVTA-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB Clc1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 1636937 PBLDEPWBRALBPE-UHFFFAOYSA-N 370.970 7.205 0 40 FKAB O=C(COc1ccc(Cl)cc1)Oc1c(Cl)cc(Cl)cc1Cl 1732123 WWGBNWNZIKOVEP-UHFFFAOYSA-N 366.027 5.285 0 40 FKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1F 2059376 OGKMNDQFZJKAFM-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 2647746 MKYZUSZAPBTQSH-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB aggregator CN(Cc1ccccc1NC(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 3384079 JQNDHZBSNROBFC-DTQAZKPQSA-N 366.480 5.242 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1c(Cl)nc(Cl)c(Cl)c1Cl 3618287 LMJYKZGUSNOPFO-UHFFFAOYSA-N 370.450 5.601 0 40 FKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@]12C 4722550 BUIQHUBDLNDWCY-RBZZARIASA-N 354.481 5.596 0 40 FKAB biogenic,in-vitro Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 5248990 CINKMFFABSGGRE-QHCPKHFHSA-N 365.436 5.135 0 40 FKAB Cc1cc(C)c(-c2nc(CC(=O)Nc3ccccc3C)sc2C)cc1C 6602736 GQSGXDNELBMWSO-UHFFFAOYSA-N 364.514 5.533 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 8113626 OGEFYYFQXGLSDV-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 8558427 GMLUINPIZDBHFJ-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc2ccccc12 8654259 NJDXBDYJHCSYMX-FCQUAONHSA-N 360.482 5.631 0 40 FKAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cccc2ccccc12 12521966 NIHNYPOUOKKGRV-UHFFFAOYSA-N 370.408 5.045 0 40 FKAB CC(C)c1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 12801579 XZBSQGKTAQVYDU-INIZCTEOSA-N 369.515 5.134 0 40 FKAB O=C(/N=c1\scc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 16740111 LFAZCSDUYJKTJU-GYHWCHFESA-N 374.440 5.086 0 40 FKAB Clc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 16842871 QIMYAWAEARXSNN-UHFFFAOYSA-N 357.891 5.404 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(CNCc3cccc(Cl)c3)c2)cc1 17310531 KSTCZUFVHFXBGT-UHFFFAOYSA-N 364.876 5.191 0 40 FKAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c(Cl)c1 21595371 RQIQPDPRRRGWIQ-UHFFFAOYSA-N 368.820 5.054 0 40 FKAB C[C@@H](c1cccs1)N(C)CCC(=O)Nc1c(Cl)cccc1Cl 22200074 CINVRVUNMMBWNM-NSHDSACASA-N 357.306 5.077 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 44842400 XIYNJAZWBMPRFS-SFHVURJKSA-N 357.812 5.428 0 40 FKAB CC(C)(C)c1ccc2oc(Nc3nc4c(Cl)cccc4s3)nc2c1 57352901 UNPUMWDKQJGVOY-UHFFFAOYSA-N 357.866 6.132 0 40 FKAB Cc1cc(C)c2oc(Nc3nc4c(Cl)c(Cl)ccc4s3)nc2c1 57352949 WCCHKIITEZBFIZ-UHFFFAOYSA-N 364.257 6.105 0 40 FKAB COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cc(Cl)ccc2n1 65033625 JDZLAQJMUNSYSC-UHFFFAOYSA-N 354.837 5.542 0 40 FKAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1SC1CCCCC1 72217308 HHEQVPVULBFKRD-HXUWFJFHSA-N 366.530 5.484 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1 78458973 AKEWWXCCVRFMEA-NQIIRXRSSA-N 353.506 5.462 0 40 FKAB C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1nc(C(C)(C)C)cs1 78546626 MYLBUGXWIAIHDP-OLZOCXBDSA-N 363.552 5.110 0 40 FKAB COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/Nc1ccccc1 100818678 VSNGFFCMJGZKJF-ZHACJKMWSA-N 372.783 5.004 0 40 FKAB CC1=C(C)[C@@H]2c3c(C)c4c(c(C)c3[C@@H]1C2C(C)C)[C@H]1C(C)=C(C)[C@H]4C1C(C)C 101010110 SZDIKDDEEMAREU-RDRKRMAOSA-N 374.612 7.909 0 40 FKAB CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 101637124 KIXGFZRPUASEFM-ZJSPYRCASA-N 371.524 5.462 0 40 FKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1 102664306 RFHVIULFADHNHJ-NRFANRHFSA-N 373.456 5.353 0 40 FKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)C1 105599736 FGFDYOLJWNGFRG-ZZHXAETESA-N 367.464 5.526 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1C(C)C 223390287 QSDXXFDOTNDFPU-GOSISDBHSA-N 353.506 5.543 0 40 FKAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 225149198 IVBGNTHYQOSTMV-IBGZPJMESA-N 364.533 5.116 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225898197 MXKDYUDDJPNARX-QFIPXVFZSA-N 372.509 5.336 0 40 FKAB Cc1cccc(CSCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 409169338 XOBIFPKXVMRNOM-UHFFFAOYSA-N 361.510 5.325 0 40 FKAB CN(C(=O)c1cc(-c2ccccc2F)on1)c1cc(Cl)cc(Cl)c1 603452853 DOWKFTXNWHETMZ-UHFFFAOYSA-N 365.191 5.064 0 40 FKAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 611945308 CKALIQMAGGEHCO-NFAWXSAZSA-N 357.416 5.086 0 40 FKAB COc1cccc(OC)c1C(=O)Nc1ccccc1Sc1ccccc1 667185 CTAURLRMQFCKCR-UHFFFAOYSA-N 365.454 5.107 0 40 FKAB COc1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682560 UNLSPAYUZOEYSM-SECBINFHSA-N 374.651 5.061 0 40 FKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1C)C(C)(C)N2 1808439 AAVMKELJURHVSF-VZCXRCSSSA-N 368.527 5.687 0 40 FKAB Clc1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1Cl 1952046 PSULXWIZXPTSHV-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1C 1986264 VNRUMIRJDILSKL-UHFFFAOYSA-N 365.454 5.153 0 40 FKAB Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl 2521568 ZQUPQXINXTWCQR-UHFFFAOYSA-N 360.882 7.274 0 40 FKAB biogenic,in-vitro O=c1c2c3c(sc2nc(-c2ccccc2)n1C1CCCCC1)CCCC3 3077632 BEUBKNVZBFTIOE-UHFFFAOYSA-N 364.514 5.509 0 40 FKAB O=C(Nc1ccc(F)cc1)[C@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 3420597 GLJYVJAOPRIBRX-DHIUTWEWSA-N 374.459 5.173 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 4033921 SRWKYADGDTWWMO-UHFFFAOYSA-N 371.440 5.269 0 40 FKAB Oc1cccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c1 4303039 LPZXXDXKRMMCJE-WYMLVPIESA-N 353.421 5.690 0 40 FKAB CCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880690 FDGYGCXHNNMRSO-UHFFFAOYSA-N 371.550 5.436 0 40 FKAB CCCOc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 5235221 PNUQKVLTAYLNGN-SAPNQHFASA-N 368.480 6.044 0 40 FKAB CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)ccc3OC)s2)cc1 5404598 ZCAHXNQZSMYXRW-UHFFFAOYSA-N 366.486 5.250 0 40 FKAB Nc1cc(Cl)c(Oc2ccc(SCC(F)(F)F)cc2)c(Cl)c1 5569967 ZAYNABFQWPDMRI-UHFFFAOYSA-N 368.207 6.022 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2ccccc2cc1O 5605116 AUIZYWCKMOEHSH-UHFFFAOYSA-N 365.738 5.470 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 5953934 JBTCIDJZPRQVEI-OAHLLOKOSA-N 371.440 5.656 0 40 FKAB Fc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1Cl 7539703 IUQRZHCNMVCEFH-UHFFFAOYSA-N 359.872 5.798 0 40 FKAB CC(C)c1ccc(C(=O)NCc2coc(-c3cccs3)n2)c(C(C)C)c1 10878665 XBMFVEDPHRUIHG-UHFFFAOYSA-N 368.502 5.580 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3c(C)cccc3C(C)C)o2)cc1 11429112 DZEHTXSCZTYXTI-UHFFFAOYSA-N 362.473 5.653 0 40 FKAB CCCCCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3c(C)c2oc1=O 11691910 IFJIAEUQVZQKJO-UHFFFAOYSA-N 374.480 6.864 0 40 FKAB C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1cc2ccccc2o1 12763972 MEZJGDVWGBOQSX-HNNXBMFYSA-N 366.424 5.611 0 40 FKAB CC(C)c1ccc(N(C(=O)c2cnccn2)c2nc3ccccc3s2)cc1 12821910 JARGEFSXZKMSTG-UHFFFAOYSA-N 374.469 5.188 0 40 FKAB Cc1nc(-c2ccc(CNC(=O)c3oc4ccccc4c3C)cc2)cs1 15191796 CEYQXZZNUWOQOV-UHFFFAOYSA-N 362.454 5.103 0 40 FKAB Clc1ccc([C@H](SC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc2)cc1 15456803 DTXXLHVMDKBRTQ-GBESFXJTSA-N 356.922 5.433 0 40 FKAB O=C(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)s1 16477022 YMCJHSFDGPMWBH-UHFFFAOYSA-N 355.462 6.449 0 40 FKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(/C=C/c2ccccc2)s1 17112402 KFPLPXNRWRNIMN-MDZDMXLPSA-N 356.838 5.006 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)cc1 18132189 HDCGRIDCVCYMAJ-UGSOOPFHSA-N 363.910 5.097 0 40 FKAB Cc1nc(CSc2nc(C)c(C)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)oc1C 107339241 DMSFXQNNEHBCHE-DKIMLUQUSA-N 359.539 5.394 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1 216572605 SVXVKRYWQBSVQN-HZPDHXFCSA-N 357.881 5.322 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 222856939 MGPSRNCBDIYOQX-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)NCc1cccc2ccccc12 222890584 ARXQXDWTEWQHJG-UHFFFAOYSA-N 369.917 5.682 0 40 FKAB CCOc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1 225603150 BOADVKGAZMOLGO-UHFFFAOYSA-N 374.575 5.004 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)c(C)c1 225710495 STUIWTBNXPDVAJ-QGZVFWFLSA-N 362.926 5.403 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225747736 RFPAAXMDOOKTPS-XMSQKQJNSA-N 363.542 5.795 0 40 FKAB Cc1ccc2c(c1)[C@@H]1Oc3ccc(C)cc3[C@H]3Oc4ccc(C)cc4[C@@H](O2)N13 226319599 OTYZCQBRBUIEJS-SMIHKQSGSA-N 371.436 5.487 0 40 FKAB S=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)NC1CCCCC1 408549483 UISDPUBZNLYNKN-UHFFFAOYSA-N 360.910 5.751 0 40 FKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 409117719 ORJGYUTXGKULRG-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(NCCc1ccc(-c2cccs2)s1)c1c(F)cccc1Cl 1889278288 RLDVNCAWWQVPBH-UHFFFAOYSA-N 365.882 5.242 0 40 FKAB Cc1ccccc1C(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 808683 SBLKAQSVVAMUKA-OAHLLOKOSA-N 374.720 5.213 0 40 FKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 865383 HXASRRKDWBSIMV-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)c(Cl)c1 1059842 VNRBUXGYROVZTH-UHFFFAOYSA-N 356.278 5.145 0 40 FKAB COC(=O)[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1731824 IWDPYZNNLCDDAW-JTHBVZDNSA-N 358.437 5.000 0 40 FKAB Cn1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c2ccccc21 2026731 SLOXPFLPTSNJSA-UHFFFAOYSA-N 360.460 6.574 0 40 FKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)cc1C)C3 2118253 XHDKFCSANLSTNV-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic C[C@H](Nc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn12)c1ccccc1 2202584 IUCPMNDGFQOIBP-KRWDZBQOSA-N 370.500 5.867 0 40 FKAB Cc1ccc(C)c(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 2446800 LDYBDKNDRVPDPX-UHFFFAOYSA-N 365.546 5.689 0 40 FKAB Cc1c(OCc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccccc1 3128595 GMCXNJGGOSFTBC-UHFFFAOYSA-N 374.267 5.091 0 40 FKAB c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccccc23)cc1 3348530 RQVHABFUCDGCFM-UHFFFAOYSA-N 366.464 5.405 0 40 FKAB CC(=O)Nc1ccc(SCc2csc(Nc3ccc(C)cc3)n2)cc1 3377374 CRYTUROZVQNRDC-UHFFFAOYSA-N 369.515 5.446 0 40 FKAB COc1ccc2oc(C(=O)OCc3ccccc3C(F)(F)F)c(C)c2c1 4319249 JPEZSXFZVSTRLD-UHFFFAOYSA-N 364.319 5.126 0 40 FKAB CCCCC1CCC(c2noc(-c3ccc(OC(F)F)cc3)n2)CC1 4615028 CJVQLPPWYRVDAM-UHFFFAOYSA-N 350.409 5.802 0 40 FKAB Cn1ccnc1/C=C(\OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4725930 GGPBUJROQYICRS-ATVHPVEESA-N 373.239 5.082 0 40 FKAB CC[N+]1=C(/C=C\c2cc(C)c3cccnc3c2O)C(C)(C)c2ccccc21 4824031 KGBUBMOFRYAHRZ-UHFFFAOYSA-O 357.477 5.358 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc2sccc2n1Cc1ccccc1 4970926 GTCCJQBJLUVSJS-UHFFFAOYSA-N 366.873 5.657 0 40 FKAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cccc3ccccc23)CC1 6313387 JPEINGUXKGCWKK-UHFFFAOYSA-N 367.489 5.174 0 40 FKAB Cc1ccsc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 6732843 CMGUXDWWOAURKL-HNAYVOBHSA-N 352.484 5.360 0 40 FKAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccc(Oc2ccccc2)cc1 6963876 OKZHVMAMLTXUKF-HZHRSRAPSA-N 361.397 5.326 0 40 FKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc2c(c1)CCC2 10922652 CJCAERNAWJPJFI-UHFFFAOYSA-N 366.848 5.055 0 40 FKAB C[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)[C@H]2C=C(Cl)C=C[C@@H]2S1 12857606 YENHYTINCMYKIP-FCDRMGDPSA-N 362.966 6.072 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1C(C)(C)C 13001816 GZNWRSWSTDFPPM-UHFFFAOYSA-N 351.475 5.063 0 40 FKAB CSc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 18946945 QAOFSXDZMMSVLR-UHFFFAOYSA-N 358.410 5.116 0 40 FKAB Clc1ccc(-c2cn3nc(C4C5CC6CC(C5)CC4C6)sc3n2)cc1 19923032 NZKCOPXIIVWEJL-UHFFFAOYSA-N 369.921 5.651 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(Cl)cc1 22073098 FYACXZMRIXBNNE-UHFFFAOYSA-N 351.837 5.348 0 40 FKAB Cc1ccc(C)c([C@@H](C)CNC(=O)c2occc2COc2ccccc2)c1 22276216 POXLBKPTOMNBOS-SFHVURJKSA-N 363.457 5.009 0 40 FKAB Cc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 30755876 LSBRQTZJHWJQGH-HSZRJFAPSA-N 361.510 5.301 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 44839788 OEBBSABROPONCO-LLVKDONJSA-N 371.786 5.327 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 44883654 KVSUTLPFERXYMI-XMMPIXPASA-N 373.496 5.879 0 40 FKAB Fc1cc(F)cc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c1 71760972 BPJVFGNOFVHPCS-UHFFFAOYSA-N 370.424 5.353 0 40 FKAB O=C(COc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 75283313 GLNNCOFWXIJBTQ-UHFFFAOYSA-N 353.805 5.150 0 40 FKAB O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@@H]1c1ccc(F)cc1 95377390 VDXFNHRRMDWVPA-GOSISDBHSA-N 370.424 5.066 0 40 FKAB O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccccc1 100970382 MRLHKEVFSTWSQY-SKGAXEKPSA-N 359.513 5.231 0 40 FKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](CC(C)C)C3=C(O)C2)cc1 102741149 XPHGYKBWPQGWFU-DOTOQJQBSA-N 366.461 5.597 0 40 FKAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCCC2 222908196 DAAKONBLSDWLGB-SFHVURJKSA-N 355.481 5.723 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1ccc(Cl)cc1 224976741 LTWZIQNMFIAOHM-UHFFFAOYSA-N 363.888 5.299 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2)cc1 225508545 BIYFFILYZNESQF-FQEVSTJZSA-N 366.917 5.724 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC(C)CC1 225669753 MYVYVKGUMNMDQB-UHFFFAOYSA-N 373.537 5.630 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCCC1 225909932 REYCZYWYJBXPBX-UHFFFAOYSA-N 370.493 5.090 0 40 FKAB Clc1cc(Br)ccc1-c1nc2cc(-n3cccc3)ccc2o1 226248547 PGOFDHKITKZOED-UHFFFAOYSA-N 373.637 5.701 0 40 FKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc2ccccc2o1 408621057 NZKPIBFGGUBXNJ-UHFFFAOYSA-N 371.480 6.153 0 40 FKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1cccc(F)c1 409118425 ZQPLDJIUXJIAKJ-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 644901 PRHDEMXOASOIKS-UHFFFAOYSA-N 361.319 5.226 0 40 FKAB Cc1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)Cl)n2n1 1384274 NXUVSXZCQDIHLQ-UHFFFAOYSA-N 361.701 5.012 0 40 FKAB Cc1cccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c1 1437017 FNSTUJFCNMQLFF-HAIAJLIZSA-N 353.465 5.477 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2069866 JTHQBJRRPXVKBQ-OAHLLOKOSA-N 372.896 5.747 0 40 FKAB FC(F)(F)c1cccc(OCc2ncc(C(F)(F)F)cc2Cl)c1 2144384 JJHNJVDRNSQRPK-UHFFFAOYSA-N 355.665 5.352 0 40 FKAB CC[C@@H](C)C(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 2270425 RCIJUYPBNHUHMC-LLVKDONJSA-N 363.573 6.142 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)cc1 2713917 FMZDBLQBVZTEBN-UHFFFAOYSA-N 365.241 5.058 0 40 FKAB COc1cccc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 3206107 OXUNGIJMWUZXNH-UHFFFAOYSA-N 365.414 5.209 0 40 FKAB CC[C@H](C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1ccccc1 3433658 LFLBTPSNXYPCBA-SFHVURJKSA-N 364.514 5.868 0 40 FKAB COc1cccc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)nc12 4075712 YYRDICXEZFTPAA-UHFFFAOYSA-N 374.465 5.148 0 40 FKAB Cc1c(NC(=O)COc2ccccc2)cccc1-c1nc2ccccc2s1 4195749 JLFGYUDOBDBIOM-UHFFFAOYSA-N 374.465 5.289 0 40 FKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2cccs2)C1 5483655 PMRIOVIZDJACLX-IBGZPJMESA-N 372.449 5.210 0 40 FKAB COc1ccc2nc(/C=C/c3cccc(Br)c3)cc(Cl)c2c1 5560351 AHTSLBMJJTXKBB-AATRIKPKSA-N 374.665 5.830 0 40 FKAB O=C(O)c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)c(Cl)c2)n1 5680037 WBZADUUTMZIYAU-UHFFFAOYSA-N 367.619 5.198 0 40 FKAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1 5700485 OJAABPVGERQZEG-UHFFFAOYSA-N 360.788 5.176 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 6561417 MZJXKJYKYHMJBW-RTBURBONSA-N 366.549 5.783 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)cc1 7073171 ABKUHODYCRGIRX-CQSZACIVSA-N 354.475 5.136 0 40 FKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c(C)c1 7504080 IGPZMLPRKKTJPT-NRFANRHFSA-N 355.441 5.555 0 40 FKAB Cc1ccc([C@H](N[C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 8990694 UEVVNDYRUBOTER-GMAHTHKFSA-N 367.533 5.419 0 40 FKAB O=S(=O)(Oc1cccc2cccnc12)c1ccc(C2CCCCC2)cc1 12042349 HZANMLBIOHWKOZ-UHFFFAOYSA-N 367.470 5.050 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)C1=C(c2ccccc2)SCCO1 12323299 LVCASZSJRURHHX-UHFFFAOYSA-N 366.269 5.064 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 13708892 SSUSFERJQYUKGO-CYBMUJFWSA-N 370.246 5.008 0 40 FKAB COc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)c(OC)cc1Cl 13790501 VHASXHBHACPFQT-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB CC(C)C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccccc1 20048789 PQXWLGKXVWWCGN-LJQANCHMSA-N 361.938 5.477 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20145131 YSBREKTVECQLID-MDWZMJQESA-N 361.441 5.214 0 40 FKAB CC(C)Oc1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 20481974 MYNWFAJYCZDYML-XNTDXEJSSA-N 351.490 5.101 0 40 FKAB Cc1cc2ncn([C@@H](CC(=O)c3ccccc3)c3ccccc3)c2cc1C 20890344 PRPWSEALMLVDLT-QFIPXVFZSA-N 354.453 5.516 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC(C)C)c1ccccc1 22514865 YANVTWLOPQUUJX-NHCUHLMSSA-N 353.506 5.364 0 40 FKAB Cc1cc(C)c(NC(=O)CSCc2ccc(Cl)s2)c(Cl)c1 23122570 HSHDIOQRADWERI-UHFFFAOYSA-N 360.331 5.544 0 40 FKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)cc1 27793696 LISLUOBUCMELMV-UHFFFAOYSA-N 355.890 5.811 0 40 FKAB Cc1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1 32708153 SKYOBMOJLACQAR-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB CCOc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccc(C)cn23)cc1 35616389 JJEDFHKFVOUCCV-UHFFFAOYSA-N 359.429 5.158 0 40 FKAB CC1CCN(C(=O)c2cccc(-c3nc4cc(Cl)ccc4o3)c2)CC1 41127544 XQVLWEFUFFGPIC-UHFFFAOYSA-N 354.837 5.020 0 40 FKAB CSc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 44902338 UTGVIKPVLXXYHA-UHFFFAOYSA-N 374.509 5.224 0 40 FKAB CCC(=O)c1cccc(NC(=O)c2cc3ccc(Br)cc3o2)c1 82087374 JMECPAWNTBNZSP-UHFFFAOYSA-N 372.218 5.040 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1C 219299629 RZGYDZLMYRYXMV-GHTZIAJQSA-N 353.506 5.462 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C 223402795 WCBJTGUQLPKDPW-YZYPULCFSA-N 369.508 6.030 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)CSCc1c(Cl)cccc1Cl 223442788 OMURBYCWBZZJOC-UHFFFAOYSA-N 362.366 5.558 0 40 FKAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224165841 IVCPROQVHZFATH-MRXNPFEDSA-N 369.505 5.100 0 40 FKAB CCc1ccc(CC)c(CNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 224180954 PCHWSKWPJUTCML-UHFFFAOYSA-N 351.534 5.358 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(C(C)C)cc1)c1ccc(OC)c(C)c1 224343152 FFLFPTVEZDMTNY-OAQYLSRUSA-N 353.506 5.327 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 224432991 PEAXQDUSTAZKMP-INIZCTEOSA-N 359.897 5.198 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Cl 225322904 VTWRFYDTXSWMNG-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@H](C)C1 225667516 DNPUBHADKCNNSB-LIRRHRJNSA-N 353.890 5.053 0 40 FKAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)cc1C 225716633 KKLNFDJDIOLIEB-FQEVSTJZSA-N 356.535 5.528 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225803571 UHEQWBUXLSKZSP-HSZRJFAPSA-N 371.521 5.799 0 40 FKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NCC[C@]4(C)[C@@H]3CC[C@]12C 252462409 SAWPPQLIWVGNDH-GMNGQVLLSA-N 359.642 6.670 0 40 FKAB biogenic CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1 257224999 FEKONBUGOPJUDW-VTYHHJSWSA-N 373.443 5.089 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 408619878 CVIPNKNUPXFCEW-UHFFFAOYSA-N 371.786 5.790 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc(C)c3)sc2c1Cl 408971454 OPMROCLSVNCTBR-UHFFFAOYSA-N 366.269 5.777 0 40 FKAB O=C(NCc1ccccc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972717 VKQVIKJIMLKYBN-UHFFFAOYSA-N 370.688 5.792 0 40 FKAB CCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409068172 HQCNWXOPNJRQRV-JYRVWZFOSA-N 368.241 5.310 0 40 FKAB CCCn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 409095958 JFBJBBVCKFABOP-UHFFFAOYSA-N 361.873 5.440 0 40 FKAB CCCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OC)c2ccccc21 409109608 IBWOGEZLKUVMEJ-GDNBJRDFSA-N 362.256 5.299 0 40 FKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccc(F)cc1 409110114 RLHNWVOOPQJEFJ-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB CCOc1ccc(Br)cc1CNc1cccc(Cl)c1C 409111440 IRLGROYMDNOCTJ-UHFFFAOYSA-N 354.675 5.422 0 40 FKAB Cc1cccc(NCc2ccc(OCc3cccc4ccccc34)cc2)c1 409118971 VLSGIBQXMHORAK-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 605692464 QWJPYKBTCCHREN-XCLAERPWSA-N 370.577 6.321 0 40 FKAB O=C(CCSc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 828000827 ABCYMDWBRQVFOJ-SFHVURJKSA-N 359.541 5.198 0 40 FKAB CCCO[C@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 2049238468 XXOMRYJCPZNLCW-ZKPZVSKHSA-N 374.565 5.488 0 40 FKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)o2)cc1Cl 934720 NWDGFYMPSNPUKT-UHFFFAOYSA-N 363.800 5.822 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(Cl)c1 953123 SLRSUDAKGBBBFA-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB Cc1cccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c1 997487 OSLKVJZHWPBJNJ-UHFFFAOYSA-N 352.437 5.140 0 40 FKAB CC1(C)OC(C(F)(F)F)(C(F)(F)F)c2cc(C(C)(C)C)ccc2S1 1587289 QBKBPIUCZFMAFY-UHFFFAOYSA-N 372.374 6.162 0 40 FKAB Cc1ccc(SCCC(=O)NCCSc2ccc(Cl)cc2)cc1 3104375 HMOHQMXOEBHHNL-UHFFFAOYSA-N 365.951 5.039 0 40 FKAB O=C(Oc1ccccc1C1CCCCC1)c1ccc(Br)cc1 3150100 QKOLCVBZPNUAIF-UHFFFAOYSA-N 359.263 5.716 0 40 FKAB CC(C)c1cc(C(C)C)c(NC(=O)[C@H](C)Cc2ccccc2)c(C(C)C)c1 3180106 MAWIXXLTKRRJSI-LJQANCHMSA-N 365.561 6.874 0 40 FKAB Cc1ccc(Cl)cc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 3318121 LQQHWYNRICISJN-UHFFFAOYSA-N 368.889 6.250 0 40 FKAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2s1 3455874 ZROGRNUHMYZZMX-UHFFFAOYSA-N 368.405 5.046 0 40 FKAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 4618323 OMNNKKGSFFCEFU-LLVKDONJSA-N 358.290 5.308 0 40 FKAB CC[C@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 4727405 CLIBUSQNMXYUIO-NRFANRHFSA-N 355.437 6.232 0 40 FKAB Brc1ccccc1-c1nnc(-c2cccc3ccccc23)o1 4804444 PZJMLWROMOZPRR-UHFFFAOYSA-N 351.203 5.319 0 40 FKAB Cc1ccc2cc(CNc3cc(Cl)ccc3Cl)c(Cl)nc2c1 5007310 IXOAOOTXLXPIQD-UHFFFAOYSA-N 351.664 6.116 0 40 FKAB CCCCCN(CCCCC)C[C@@H](O)c1cccc2cc(Cl)ccc12 5973209 DMLPGKLDZDRHLA-JOCHJYFZSA-N 361.957 6.209 0 40 FKAB C[C@H](Sc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 6080628 YVGPKMNSIDHNRF-VIFPVBQESA-N 351.258 5.083 0 40 FKAB CCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2ccc(C)cc2)cs1 6826667 LCXCAWQNQNDODC-UHFFFAOYSA-N 365.502 5.794 0 40 FKAB Cc1ccc2cc(COc3ccc(-c4nnco4)cc3)c(Cl)nc2c1C 7441118 MMXJCKNVJOQKAE-UHFFFAOYSA-N 365.820 5.134 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 8321138 JNHVHHUYWCPFTN-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c(C)c1 8600210 NBXMTMFXZYMKMP-UHFFFAOYSA-N 374.465 5.538 0 40 FKAB Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 9909758 QAHIKMQGUFNACZ-UHFFFAOYSA-N 364.449 5.193 0 40 FKAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc4cccnc34)o2)cc1C 10225650 MTFNYVQLDFGNJB-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB O=C(Nc1c(Cl)cccc1Cl)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 15188155 IBBHEQXRACLNGJ-YZNXFKIBSA-N 364.316 6.261 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3SC)o2)cc1 15867381 VKONJSMJYJAKQQ-UHFFFAOYSA-N 367.470 5.248 0 40 FKAB Fc1ccccc1COc1ccccc1CNCCc1c[nH]c2ccccc12 16449687 WVNYZOVRCFEUFA-UHFFFAOYSA-N 374.459 5.218 0 40 FKAB O=C(N/C(=C\c1ccccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 17189969 VSOLNQCYYIFZJO-ZHZULCJRSA-N 373.843 5.144 0 40 FKAB CC[C@H](CNc1cccc(OCC(C)C)c1)Oc1ccccc1[C@H](C)CC 19738314 OEXTVLGJKMOKSN-TZIWHRDSSA-N 369.549 6.504 0 40 FKAB Cc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)c(C)c1 21364417 ADNWCXKBFPSJBW-UHFFFAOYSA-N 360.280 5.328 0 40 FKAB COc1ccc(-c2cn3nc(-c4ccc(C)cc4)n4c3c2CCCC4)cc1 27525439 RIOQURQTLCNKGL-UHFFFAOYSA-N 357.457 5.123 0 40 FKAB Cc1ccccc1OCC(=O)N(Cc1cccs1)c1ccccc1Cl 27989722 FSKQZSNHELYQKJ-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB CCc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 33262435 VMBPKRWWANUHKW-UHFFFAOYSA-N 374.469 5.048 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 37868530 YZUNQAYBCJITJE-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB CC(C)(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 40155745 DCXVWZPCPFZXKQ-INIZCTEOSA-N 371.333 5.370 0 40 FKAB C[C@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)C12CCC(CC1)CC2 67319157 HCMCLHTXOCUEHJ-IXCHTMLJSA-N 361.529 5.468 0 40 FKAB Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](C)c1ccc(Cl)cc1 70020739 GWHUYIDKQZKGBD-AWEZNQCLSA-N 374.315 5.397 0 40 FKAB Cc1c(F)cccc1NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 71326042 HQZITXSHQLRDEV-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C 72215227 NVNWYYCPAHNRHS-AEFFLSMTSA-N 361.530 5.167 0 40 FKAB Cc1ccc2nc(-c3ccc(Br)cc3Br)oc2c1 73638191 OPNPMUARKJGQIJ-UHFFFAOYSA-N 367.040 5.328 0 40 FKAB COc1ccc(C2(NCc3cccc(OC)c3OC)CCCCCC2)cc1 78823079 ZHSYJQMWAXCEAR-UHFFFAOYSA-N 369.505 5.052 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 107030506 HRAHIHQIASCPRI-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1ccc(-c2cncc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 158304721 LRBXAVWEBLYJMR-UHFFFAOYSA-N 356.347 5.328 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1C 219031977 GMJVAQBVTCHZHG-FDDCHVKYSA-N 361.485 5.491 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223095988 ZXBIYXGXPKCYPU-VFNWGFHPSA-N 371.908 5.254 0 40 FKAB Cc1cc(C)nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 223915312 VNLPDSFYNAZGFY-UHFFFAOYSA-N 371.893 5.098 0 40 FKAB CCOc1ccc(C(=O)NCC(C)C)cc1CSc1ccc(C)cc1 224659167 OLGITYVBVVTUME-UHFFFAOYSA-N 357.519 5.072 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225362068 OCDNTBDFJFSIEU-UHFFFAOYSA-N 353.462 5.079 0 40 FKAB Cc1ccc([C@@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 225766920 BWXZIJRLPQJIPO-QHCPKHFHSA-N 374.553 5.996 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226309412 IFTKRNVNKDRNJJ-UHFFFAOYSA-N 359.882 5.082 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl 408619556 CTQBGNJNGWPVOP-UHFFFAOYSA-N 365.043 5.561 0 40 FKAB O=C(NCc1cc(-c2ccoc2)cs1)C1(c2cccs2)CCCC1 1775970066 ZMJIMKPHOURZAB-UHFFFAOYSA-N 357.500 5.198 0 40 FKAB O=C(C[C@@H](Sc1ccccc1)c1ccc(Cl)cc1)c1cccs1 1463123 QETRDXKHERGDKY-LJQANCHMSA-N 358.915 6.508 0 40 FKAB COc1ccc(-c2oc(=O)cc(-c3ccccc3)c2-c2ccccc2)cc1 1608108 MXRIRHIXZUYMBZ-UHFFFAOYSA-N 354.405 5.649 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 2629040 XULOORQVPNGCTA-UHFFFAOYSA-N 359.800 5.268 0 40 FKAB Cc1ccc(Sc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 3145554 XNSOVYVQYUMGNN-UHFFFAOYSA-N 354.496 5.287 0 40 FKAB CCOc1ccc2nc(NC(=O)C3CCC(C(C)(C)C)CC3)sc2c1 3236075 ODKXVRJWMUYQNG-UHFFFAOYSA-N 360.523 5.486 0 40 FKAB Clc1c(Cl)c(Cl)c2c(c1Cl)O[C@H]1Cc3ccccc3[C@H]1O2 3851940 AECUTYJLGGMEIK-ISVAXAHUSA-N 362.039 5.737 0 40 FKAB biogenic COc1ccccc1/C=C/C=C/[C@]12N=C(O)CCN1c1ccccc1C2(C)C 3999995 LNMPNDBYJWTAIP-QQWXJRGISA-N 374.484 5.119 0 40 FKAB biogenic CCCCC(=O)OCC1(COC(=O)CCCC)[C@@H](C)C=C(C)C[C@@H]1C 4023595 XDMBDIBUEQTDBG-ROUUACIJSA-N 352.515 5.062 0 40 FKAB biogenic COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccccc3)C[C@H]21 4281949 DKBPNDJWRAYOEL-OFNKIYASSA-N 374.415 5.077 0 40 FKAB Cc1ccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3n2)cc1 4678201 ZWENSZOHYUXMQU-UHFFFAOYSA-N 366.262 5.078 0 40 FKAB c1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 5005228 OQEWWRRSXONUPD-UHFFFAOYSA-N 363.460 6.585 0 40 FKAB Cc1cccc(C)c1NCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 5390602 ZNMIHCMWQWQIND-MHWRWJLKSA-N 372.877 5.063 0 40 FKAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N[C@@H](C)c1ccc(F)cc1 6588317 NMIAWNRRNJLHKN-STQMWFEESA-N 374.506 5.059 0 40 FKAB CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1OC 6630735 AIESXOZVXCMSSJ-UHFFFAOYSA-N 370.674 5.122 0 40 FKAB CN(Cc1nc2ccccc2s1)C(=O)C(c1ccccc1)c1ccccc1 6789758 LQWCJFMIBSCWEO-UHFFFAOYSA-N 372.493 5.087 0 40 FKAB CCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 7261039 YLHFPTFSYMMRLD-UHFFFAOYSA-N 366.332 6.242 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(C)cccc2s1 7996190 DUCJZGCWVWPGSB-UHFFFAOYSA-N 365.483 5.289 0 40 FKAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 8327660 HONPERJBWHBKSO-KRWDZBQOSA-N 361.441 5.158 0 40 FKAB O=c1c(-c2ccccc2)cnc2sc3cc(Oc4ccccc4)ccc3n12 8560158 KPEWQQZBEUOBME-UHFFFAOYSA-N 370.433 5.369 0 40 FKAB Cc1nc2sccn2c1-c1nc(-c2ccc(Cl)cc2Cl)cs1 12564395 COJNWOYKBWRWBW-UHFFFAOYSA-N 366.298 5.802 0 40 FKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)C(C)(C)C)cc12 15729446 MSZYQFJYVBCEFJ-UHFFFAOYSA-N 369.848 5.610 0 40 FKAB biogenic c1ccc(-c2nc3ccccc3nc2-c2cc3c(ccc4ccccc43)o2)cc1 16492098 DCCKHEBKQFNGFE-UHFFFAOYSA-N 372.427 6.863 0 40 FKAB CCCCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1 16639216 LFHPBYNKXFKWMK-UHFFFAOYSA-N 374.868 5.120 0 40 FKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)C(C)(C)C 17073052 PWAPRWYFBYCZNB-UHFFFAOYSA-N 352.434 5.105 0 40 FKAB Fc1cccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 20509748 NVXDQQHEQUTWDY-LJQANCHMSA-N 363.367 5.216 0 40 FKAB C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccc1OC(F)F 29137827 PRFLOOWOFXEYFR-JTQLQIEISA-N 365.376 5.133 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38859922 NESFCNSDXJJWFL-IBGZPJMESA-N 368.496 5.108 0 40 FKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc3ccccc23)[nH]n1 51315700 IQHZUEWEPXMLLI-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB O=C(c1cccc2ccccc12)N(CCc1cccs1)Cc1ccco1 75154763 PBZDKRHACPKOTO-UHFFFAOYSA-N 361.466 5.379 0 40 FKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100224516 PDYASRQCSWRHDB-KURKYZTESA-N 362.473 5.012 0 40 FKAB COc1ccc2c(c1)NC(C)(C)c1ss/c(=N/Cc3ccccc3)c1-2 103900162 MGULHXGPXNLPSV-XUTLUUPISA-N 368.527 5.247 0 40 FKAB Clc1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1 107930610 MDQDVXDUVXJNDS-UHFFFAOYSA-N 366.873 5.759 0 40 FKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222936262 CGLHSPWICZDLFA-LJQANCHMSA-N 371.546 5.892 0 40 FKAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Sc1ccc(Cl)cc1 225083994 LVPDBIGFJBVSDE-ZDUSSCGKSA-N 361.677 5.435 0 40 FKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c(C)c1 225841902 NCPUJNVGIFGLNK-UHFFFAOYSA-N 352.547 5.535 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)ccc1Cl 408628837 DEZXAHXSBYCELM-INIZCTEOSA-N 372.896 5.045 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1 408713485 BHPXBLWBSNXIPS-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1C(C)C 409136125 SKOIXBCQBCXYDT-WOJGMQOQSA-N 360.523 5.302 0 40 FKAB O=C(NCc1cc(-c2ccsc2)cs1)Nc1c(F)cccc1F 1775969759 KBVCENYUMFIUIE-UHFFFAOYSA-N 350.415 5.077 0 40 FKAB CCOP(=O)(CCCCOc1cccc(C(F)(F)F)c1)OCC 1776003795 BUCVKKGWSBDBOP-UHFFFAOYSA-N 354.305 5.131 0 40 FKAB O=C(C[C@H](Sc1ccccc1)c1ccc2c(c1)OCO2)c1ccco1 945407 IKCVOJGVQWFWPE-FQEVSTJZSA-N 352.411 5.115 0 40 FKAB Cc1nn(C(=O)c2ccncc2)c(-c2ccccc2)c1Sc1ccccc1 955209 SCAHHPMXFABNOI-UHFFFAOYSA-N 371.465 5.093 0 40 FKAB CCCN(CCC)c1nc(-c2ccco2)nc2c1sc(=S)n2CC 1424364 IVTYPQRHNFDSSO-UHFFFAOYSA-N 362.524 5.129 0 40 FKAB CCCCN(CCCC)CCCNc1c2c(nc3ccccc13)CCCC2 1555405 BMFARSVFFHZXTD-UHFFFAOYSA-N 367.581 5.818 0 40 FKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1c(Cl)cccc1Cl 2632244 KAWZHPRVHIQPJE-UHFFFAOYSA-N 363.269 5.298 0 40 FKAB CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1 3275675 PEMZYZJLVIHEHE-UHFFFAOYSA-N 373.537 5.318 0 40 FKAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(Cl)c(Cl)c1 3389808 ZBWVWTSISTXBRN-GFCCVEGCSA-N 353.318 5.301 0 40 FKAB C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3C[C@@H](OCc4ccccc4)CC[C@]3(C)[C@@H]1CC2 3850203 XVAQUNQDQASSEH-DFKCIHNCSA-N 366.589 7.005 0 40 FKAB CC(C)CN[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 4200592 NIUIUSQEYIIYEC-JSAFQYNZSA-N 351.471 5.228 0 40 FKAB O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(Cl)cc1 5036326 XUYSNWCEPMBDAK-UHFFFAOYSA-N 373.890 5.113 0 40 FKAB aggregator CCN(CC)CCC[C@@H](C)Nc1ccnc(/C=C\c2ccc(Cl)cc2)c1 5121126 FIDFDSHBKIWNIN-ADYSOMBNSA-N 371.956 5.828 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 5274721 XGDJYDADKWNDEC-SJCJKPOMSA-N 374.937 5.407 0 40 FKAB CCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 5552299 WDZRFOBLCAMBRG-RIYZIHGNSA-N 368.241 5.310 0 40 FKAB O=C(CNc1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 5741165 QOQZDABYRRTIGG-UHFFFAOYSA-N 366.873 5.581 0 40 FKAB Clc1ccccc1CSc1nnc(-c2ccccc2)c2ccccc12 6085994 JJBXAUSPPCTAAU-UHFFFAOYSA-N 362.885 6.243 0 40 FKAB S=C(Nc1ccccc1Cl)Nc1ccccc1Sc1ccccc1 6276946 YYKAXDBLJSXVLR-UHFFFAOYSA-N 370.930 6.300 0 40 FKAB CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)/C=C/c2ccccc2OC)cc1 6489141 JAEKZFZDVOSJNR-FAOIADRYSA-N 351.490 5.489 0 40 FKAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2CC)cc1 6629093 PKQNTNKVXLQOFD-UHFFFAOYSA-N 356.491 5.015 0 40 FKAB CCn1c2ccccc2c2cc(CNC3C4CC5CC(C4)CC3C5)ccc21 6871170 OMNNQUPQPKIPCT-UHFFFAOYSA-N 358.529 5.729 0 40 FKAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc1C 6966742 WCUCJUXAAYTWHI-HYARGMPZSA-N 356.469 5.228 0 40 FKAB O=C1/C(=C/c2ccc(N3CCCC3)cc2)c2ccccc2N1c1ccccc1 7095340 KXCWJRDJUUTJEJ-PTGBLXJZSA-N 366.464 5.506 0 40 FKAB C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 7687307 UOORBNVXDIDOGQ-INIZCTEOSA-N 365.860 5.410 0 40 FKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccc(F)cc1 9366248 VQDRKYXNEFPHQE-GFCCVEGCSA-N 359.495 5.258 0 40 FKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12576111 KNVRIWSERMMEKC-MRXNPFEDSA-N 371.912 5.078 0 40 FKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 13632018 BINMHEWRULFCPP-UHFFFAOYSA-N 373.496 5.503 0 40 FKAB CC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13811274 VEABFLOWIVMCLR-MJGOQNOKSA-N 371.278 5.037 0 40 FKAB CC(C)c1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3Cl)nc2c1 13946169 UHTNBCLMUXPPRP-UHFFFAOYSA-N 370.880 6.256 0 40 FKAB Clc1ccc(Cl)c(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1 16492675 HCSWXMNTPIBRRA-UHFFFAOYSA-N 365.263 6.513 0 40 FKAB CN1/C(=C\C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)c2ccccc21 18087717 WHNCANLXTFOQBF-BOPFTXTBSA-N 361.272 5.243 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 19933595 HHDHSNRKOWJYLF-HNAYVOBHSA-N 361.938 5.705 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(Cl)cc1 20041678 ICRJEAGMQJWQIT-HXUWFJFHSA-N 367.876 5.309 0 40 FKAB O=C(NCCC1=CCCCC1)c1ccccc1SCc1cscn1 30798062 FDKNPRAAMGNRPR-UHFFFAOYSA-N 358.532 5.056 0 40 FKAB CCN(c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1)C(C)C 32943381 WAPYDYLPZHNJJQ-UHFFFAOYSA-N 362.473 5.092 0 40 FKAB COc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cc(C)ccn12 35616311 GOLIIFXGWUEEBG-UHFFFAOYSA-N 372.472 5.128 0 40 FKAB Cc1cnn(-c2ccc(C(=O)Nc3ccc(NCC4CCCC4)cc3)cc2)c1 58222863 RQTWFVWBESDEHU-UHFFFAOYSA-N 374.488 5.035 0 40 FKAB CC(C)Oc1ccc(CN[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 62257941 QMJZUWWZQFRAMG-FQEVSTJZSA-N 365.477 5.011 0 40 FKAB CCOc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1Cl 95095054 KKTNGIYVMLPDBE-UHFFFAOYSA-N 361.652 5.117 0 40 FKAB Cc1ccc(Nc2ccc(NC(=S)NC3CCCCCC3)cn2)cc1 224042924 SKNVJJPUKPAJIG-UHFFFAOYSA-N 354.523 5.143 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)oc12 224097072 JXJUXDODXBQORH-UHFFFAOYSA-N 357.365 5.593 0 40 FKAB CCCCc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225352335 YXYFPNKIUGUCKB-UHFFFAOYSA-N 350.289 5.907 0 40 FKAB CCOc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225810011 COUXTYHHXWCFNT-UHFFFAOYSA-N 372.509 5.023 0 40 FKAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c1 225827786 WYDXUGRLCLJYOP-UHFFFAOYSA-N 371.440 5.078 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3cccc(Cl)c3)CCCC2)c1 225844843 VQJUFEWDIGZQHC-UHFFFAOYSA-N 372.965 5.880 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225866886 GWJBVFCUYCUZQU-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB C[C@]12CC[C@H](OCc3ccccc3)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 253617610 XVAQUNQDQASSEH-XMDZHUTCSA-N 366.589 7.005 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(=O)O)c2)cc1 257260205 LBUBDYJUNSOKIK-IBGZPJMESA-N 367.445 5.124 0 40 FKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 409093941 BVSHTNIUSJEWSV-UHFFFAOYSA-N 371.937 5.471 0 40 FKAB Cc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1C 877846 JDSUNIWQQAOHLF-UHFFFAOYSA-N 364.301 5.390 0 40 FKAB CNC1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1667082 DUYXBOJVOSYSMS-UHFFFAOYSA-N 359.472 5.943 0 40 FKAB CC(C)(C)c1sc(C(=O)O)cc1-c1cc(C(=O)O)sc1C(C)(C)C 2172969 PIAVHZFTRPNQHS-UHFFFAOYSA-N 366.504 5.468 0 40 FKAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1NCCc1ccccc1 2339928 OYUDHMNHJDUEBX-UHFFFAOYSA-N 370.500 5.230 0 40 FKAB COc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2C)cc1 2451560 OFLIEIUBYKKFRK-UHFFFAOYSA-N 367.518 5.081 0 40 FKAB CCN1C(=O)c2cccc3c(NC(=O)Nc4cccc(Cl)c4)ccc1c23 3264642 HLRUDACJRNPOOW-UHFFFAOYSA-N 365.820 5.117 0 40 FKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1 3655314 GGLBAPOHDGWYCH-UHFFFAOYSA-N 369.420 5.153 0 40 FKAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Oc2ccccc2)cc1 4069864 CYJQBZVUNCUXHB-UHFFFAOYSA-N 350.443 5.067 0 40 FKAB Cc1ccc2c(c1)S[C@H](CC(=O)c1ccc(Br)cc1)S2 4568160 XMXUNTDGGYQGQP-MRXNPFEDSA-N 365.317 5.554 0 40 FKAB Cc1cccc(Oc2ccc3[nH]c(C(=O)N[C@@H](C)c4ccccc4)cc3c2)c1 4702626 NBJHLXIXNOSHAA-KRWDZBQOSA-N 370.452 5.760 0 40 FKAB Clc1ccccc1[C@@H]1C[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 5461693 HSXOJTIRUURAJV-FPOVZHCZSA-N 359.860 5.836 0 40 FKAB COc1ccc2c(-c3ccccc3)cc(N(C)Cc3ccccc3)nc2c1 6508059 PBPUHGHOBLYZQH-UHFFFAOYSA-N 354.453 5.547 0 40 FKAB Fc1ccccc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2F)o1 6825385 FWWVXVRJALLZIM-IBGZPJMESA-N 363.367 5.216 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 6857408 LPDWYBOLBWUOTC-UHFFFAOYSA-N 354.321 6.558 0 40 FKAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1 6906284 MQFWBCDRBAQNEP-UGSOOPFHSA-N 370.518 5.337 0 40 FKAB Fc1ccccc1-c1cc(-c2ccccc2)c2c3c(sc2n1)CCCC3 7847582 HSSTUYCFXDZSCI-UHFFFAOYSA-N 359.469 6.648 0 40 FKAB Cc1nc2cc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)ccc2o1 15541134 OPDFXDXEFVQISY-UHFFFAOYSA-N 369.380 5.197 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCCC3)cc1 20334852 TVRDZIPGEUWFQJ-UHFFFAOYSA-N 371.502 5.265 0 40 FKAB Clc1ccc([C@@H](Sc2nnc(-c3ccc[nH]3)o2)c2ccccc2)cc1 48234473 XAAYJGSMUGTPNF-KRWDZBQOSA-N 367.861 5.600 0 40 FKAB COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 58160005 OTMOFBMASGGYGG-ZWKOTPCHSA-N 374.484 5.040 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(Br)c(C)c2)ccc1F 71760615 ZITIUUAXDLJELS-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217238 SWMUURYOBLOHMM-QGZVFWFLSA-N 362.539 5.578 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217239 SWMUURYOBLOHMM-KRWDZBQOSA-N 362.539 5.578 0 40 FKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccccc1Cl 107040828 CJOIKJZSOALXGX-UHFFFAOYSA-N 371.839 5.679 0 40 FKAB CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118927759 MENHVRZEYBHNIS-ZYCZNCTCSA-N 374.565 5.556 0 40 FKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 214160882 WYGMLDHSJYZDCV-DQPIFXJKSA-N 367.470 5.100 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 223008167 OQJXLHQTUHLSKU-MRXNPFEDSA-N 372.679 5.751 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223371974 JYFPDYQDXKOQLT-DYESRHJHSA-N 369.505 5.162 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223495308 HNFOSLJZNCQWPN-PMACEKPBSA-N 367.533 5.688 0 40 FKAB O=C(COc1cccc2c1CCCC2)Nc1ccc2c(c1)oc1ccccc12 225148284 TXGFNLUVXXUCIR-UHFFFAOYSA-N 371.436 5.482 0 40 FKAB CCOC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 225446787 QGNIMUGAIIFBME-UHFFFAOYSA-N 364.470 5.340 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(Br)c(C)c1)c1ccccc1 225480004 GHGUXUWSWWTFKU-MRXNPFEDSA-N 363.324 5.195 0 40 FKAB COc1cc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(C)C 225660508 YVBGLIGMTILDKL-UHFFFAOYSA-N 351.368 5.398 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1C 225758807 PHKCOXYBNCBBSY-OAQYLSRUSA-N 368.546 5.754 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c3ccccc23)CCC[C@H](C)C1 225855734 CNPZTYOIMILSTQ-GAJHUEQPSA-N 369.505 5.553 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)c(C)c1 225867045 UCIKODGSGXQSOO-WZONZLPQSA-N 365.517 5.217 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc2cc(Cl)ccc2oc1=O 226041403 OIUJZXFKRMKYSD-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nc2c1 226287208 YKOQVAGEDMPRQU-UHFFFAOYSA-N 368.436 5.779 0 40 FKAB CCCC(CCC)C(=O)c1ccc(Br)c(C(F)(F)F)c1 575362659 SSTTXSQGXIJVFB-UHFFFAOYSA-N 351.206 5.867 0 40 FKAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(Cl)c2ccccc12 1889302860 IKSDKGHREZMKIX-UHFFFAOYSA-N 368.841 5.414 0 40 FKAB C[C@@H]1C[C@](C)(C(=O)NCc2ccco2)[C@@H](c2ccccc2)c2ccccc21 840249 ALRCIZCYZVAYTB-UWSIMGETSA-N 359.469 5.241 0 40 FKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)C3CC3)n2)cc1 932676 MGZQOTOVJPIBEZ-UHFFFAOYSA-N 362.498 5.104 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c(C)c1 1264344 QDSPGQNQJYUPCT-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB CCc1ccccc1NC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1 2176622 SUUSVQNWJYSQNS-QHCPKHFHSA-N 369.508 5.811 0 40 FKAB COC(=O)c1cc(-c2ccc(-c3cccs3)s2)nc2ccccc12 2254801 NEYKJINFNBBRHZ-UHFFFAOYSA-N 351.452 5.478 0 40 FKAB CSc1nc(Cl)c2sc3nc(C(C)C)c4c(c3c2n1)CCCC4 2257934 WXGSYZHIESSPEL-UHFFFAOYSA-N 363.939 5.617 0 40 FKAB O=C(/C=C/c1ccccc1Cl)N1c2ccccc2Sc2ccccc21 3257256 OOPLWTQAIXYREX-BUHFOSPRSA-N 363.869 6.183 0 40 FKAB Cc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)c(Cl)c1 3324615 ZGMKAKBEYASJSW-UHFFFAOYSA-N 366.848 5.410 0 40 FKAB O=C(Nc1ccccc1)c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1 3846796 SZJMFKKYDPOUBS-UHFFFAOYSA-O 368.481 6.616 0 40 FKAB biogenic Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cccc(C)n23)cc1 3911620 KKPQDTYPTYODRL-UHFFFAOYSA-N 352.441 5.843 0 40 FKAB Cn1c(CSc2nc3ccccc3n2-c2ccccc2)nc2ccccc21 4561153 ZCTWFOXVRMTYHL-UHFFFAOYSA-N 370.481 5.205 0 40 FKAB C[C@]1(Cc2ccccc2)OC(=O)C(c2ccccc2)=C(c2ccccc2)O1 4659021 ODIFRBQFQZSYCR-XMMPIXPASA-N 356.421 5.087 0 40 FKAB Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C(C)(C)C)c1 5542183 YKONLZAIHYCPRK-UHFFFAOYSA-N 365.395 5.329 0 40 FKAB Clc1ccc(-c2csc(Sc3nc4ccccc4s3)n2)cc1 5605090 NGHKFBDPOVKIQO-UHFFFAOYSA-N 360.916 6.224 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc2ccccc12 6347681 NBTUHKGNRDESEH-UHFFFAOYSA-N 362.542 6.896 0 40 FKAB CCOc1ccc(OC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6389169 CRDKPGJQGVQUJN-UHFFFAOYSA-N 362.425 5.192 0 40 FKAB Cc1ccc(Sc2ccc(/C=C3/Sc4ccccc4C3=O)o2)cc1 6477512 UHDPHWHFNBIRIH-LDADJPATSA-N 350.464 6.069 0 40 FKAB CCOC(=O)CSc1cc2cc(Cl)ccc2nc1-c1ccccc1 6570074 RUPQWECNMYLOFV-UHFFFAOYSA-N 357.862 5.210 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(OCc2ccccc2Cl)cc1 7699601 UMNXUYQCLLPZGQ-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB CC(C)CCOc1cccc(C(=O)Nc2ccccc2Br)c1 8567816 HMYRUNLRPFGZRQ-UHFFFAOYSA-N 362.267 5.126 0 40 FKAB CCCCOc1cccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)c1 8586619 OAEXRZPNSPQTAF-UHFFFAOYSA-N 364.445 5.009 0 40 FKAB FC(F)n1ccnc1CSc1ncnc2scc(-c3ccccc3)c12 8725171 RPLJMOVNIOTLMV-UHFFFAOYSA-N 374.441 5.242 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3oc4ccc(Cl)cc4c3C)on2)cc1 9194943 HMXFWSZKOQNRLO-UHFFFAOYSA-N 366.804 5.610 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1Cl 10431373 AKXJMKWNVHXXQN-UHFFFAOYSA-N 357.240 5.080 0 40 FKAB Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1Cc1ccco1 12741182 GLLJQJJSJRCCLF-UHFFFAOYSA-N 362.351 5.017 0 40 FKAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1c(F)cccc1Cl 12745443 CHPTZUONKDJFPV-UHFFFAOYSA-N 372.852 5.344 0 40 FKAB O=C(CSc1ncnc2sccc12)c1cc2cc(Cl)ccc2o1 12749891 IJONLJWFRQRVKW-UHFFFAOYSA-N 360.847 5.066 0 40 FKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 14649213 RUDQVEWDSUSZDK-UHFFFAOYSA-N 366.230 5.019 0 40 FKAB c1ccc([C@@H]2O[C@@H](c3ccco3)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 17194164 OINGAVBNLZRPHH-DSITVLBTSA-N 367.448 6.298 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 20488206 JWPUZORYOWRNSF-VWLOTQADSA-N 373.496 5.205 0 40 FKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H]1c1cccs1 22131807 LJRYBGBYNUHXEP-HNNXBMFYSA-N 354.500 5.157 0 40 FKAB Cc1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 45919895 KQZXLDJJNJMOTR-UHFFFAOYSA-N 357.034 5.873 0 40 FKAB Cc1ccc(-c2nnc(CN(Cc3ccccc3)Cc3ccccc3)o2)cc1 54220078 ZGAGZAGLJYQFGG-UHFFFAOYSA-N 369.468 5.247 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351389 UPMZEOIXPUKIMU-OXQOHEQNSA-N 359.897 5.300 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NC5CCCCC5)(C4)C2)C3)cc1 100328585 VDTVOJSOMYUCQR-AYJAPBJVSA-N 351.534 5.282 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)Nc2ccc(Cl)cc2Cl)C1 101004686 OTBFWMJIFLSYBW-PXAZEXFGSA-N 357.350 5.591 0 40 FKAB O=C(Nc1ccccc1F)N1CCS[C@@H](c2ccccc2Cl)CC1 208047219 FIPFYVBQDBRCPB-QGZVFWFLSA-N 364.873 5.191 0 40 FKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(C)cc1 223209301 NOBZOIYAMYKWFG-GOSISDBHSA-N 365.901 5.288 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1 225337768 ACGRYTPOGHJOHA-LJQANCHMSA-N 364.316 5.810 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225513904 MZMONLGUYKUAHU-IBGZPJMESA-N 365.517 5.931 0 40 FKAB CO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225609121 DESWNZBDBGJXFY-HSZRJFAPSA-N 369.505 5.272 0 40 FKAB O=C(NCc1cccnc1-c1ccco1)c1ccc(-c2cccs2)cc1 225661082 QGEYJTPBAIDEEY-UHFFFAOYSA-N 360.438 5.000 0 40 FKAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225840111 WFROAXJSSZYMEA-QFIPXVFZSA-N 357.494 5.408 0 40 FKAB C[C@@H]1O[C@@H]2c3cccc(O)c3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257232390 GKRNSXJVQVOUDK-SJIKZXFPSA-N 358.865 5.467 0 40 FKAB CCCc1ccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)o1 1615528897 DILMNTCFCNVYNJ-VGSWGCGISA-N 370.512 5.251 0 40 FKAB Cc1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(C)c3)c(C)c2)c1 642766 FGORZODTHZRDCE-UHFFFAOYSA-N 360.409 5.050 0 40 FKAB CCc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 673156 YVNJUJNDFXQWAS-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 683208 FPWOOJZPRCXTFE-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB CCc1sc(-c2cc3cccc(OC)c3oc2=O)nc1-c1ccccc1 869181 HONCDRZXMIRIBL-UHFFFAOYSA-N 363.438 5.155 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 949884 SABDWMKPRYFQRD-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@@H]5[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)C5(F)F 1845316 JTSBNWGLFUOUIT-AQNQEDSYSA-N 364.476 5.372 0 40 FKAB CCCOc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OC 2070705 HOAZCEBVUMYXQR-IBGZPJMESA-N 361.441 5.111 0 40 FKAB Cc1cc(C)c2nc(NC(=O)Cc3coc4cc(C)c(C)cc34)sc2c1 3323251 QIGABLQPFWGOCE-UHFFFAOYSA-N 364.470 5.457 0 40 FKAB O=C(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 4362656 NGNPHNWIFLLNLJ-SJBKTWHCSA-N 353.893 5.442 0 40 FKAB CCc1ccc(-c2cn3nc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1 4602807 UCIJBKMWWQCASA-UHFFFAOYSA-N 371.484 5.377 0 40 FKAB CC(C)Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2ccccc2)o1 4717191 BHFNMRQTMJAEAB-UHFFFAOYSA-N 361.441 5.156 0 40 FKAB CCc1nc(SCc2ccc(Cl)cc2)c2oc3ccccc3c2n1 5577246 HAEYODGRFFAZQP-UHFFFAOYSA-N 354.862 5.884 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 5603398 VEBRTTYJZYOXIE-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OCC)cc23)cc1 5808124 LFEPKSSSBCUGCX-UHFFFAOYSA-N 364.445 5.252 0 40 FKAB Cc1ccc(C(C)C)cc1Oc1ncnc2scc(-c3ccccc3)c12 6049152 LCFQRDNJNCOHNG-UHFFFAOYSA-N 360.482 6.582 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 6587865 FGYLKFKWWUJZIG-UHFFFAOYSA-N 362.426 5.063 0 40 FKAB CCc1ccc(NC(=O)N(CC)c2nc(-c3ccc(C)cc3)cs2)cc1 6826672 PEBIPNFTZWCODQ-UHFFFAOYSA-N 365.502 5.739 0 40 FKAB CCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(C)cc2)cs1 6826680 XZMZJRJLLLWGPL-UHFFFAOYSA-N 371.893 5.830 0 40 FKAB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(=O)O 6962456 HZXLSHFHUYOVFM-ZVHZXABRSA-N 360.457 5.666 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 7073158 ROMPJLUVBVAXPF-OAHLLOKOSA-N 366.486 5.341 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(F)ccc2C)cc1OCC 7970795 IQHUSVQSNSZHDW-UHFFFAOYSA-N 365.832 5.227 0 40 FKAB O=C(NC1CCCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 8714182 YSIOIISYCWPRRZ-UHFFFAOYSA-N 355.865 5.024 0 40 FKAB CCCCCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3cc2oc1=O 11691928 FAODBYMOJCMMSP-UHFFFAOYSA-N 360.453 6.556 0 40 FKAB Cc1cccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1C 12999190 XYGZZILBBHBRHC-UHFFFAOYSA-N 368.527 5.197 0 40 FKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3)c2)cc1 19691401 OWOVXLNSYCNXGL-HSZRJFAPSA-N 372.468 5.043 0 40 FKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\c3cccc(C(=O)O)c3)c2c1 19911648 GNSJFRHSBQWGKA-HIXSDJFHSA-N 355.393 5.339 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC(C)C)cc1 20461824 TWWPHXGNPDMWBQ-OAQYLSRUSA-N 363.457 5.423 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n3nc(C(F)(F)F)nc3n2)cc1 27062012 YJSYWZGWSWOCDT-UHFFFAOYSA-N 368.362 5.094 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 28730354 PESBWIIXRKRLJZ-UHFFFAOYSA-N 367.426 5.004 0 40 FKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccccc1Cl 32845905 DYXWTQXLGHGRTG-OAQYLSRUSA-N 361.828 5.606 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 38849588 DLSSWLGWABVAPW-UHFFFAOYSA-N 356.897 5.133 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3OCC)c2c1 46086307 LDOCPLPURQWZER-UHFFFAOYSA-N 367.445 5.571 0 40 FKAB Cc1cc(C)c2nc(-c3cccc4c(Br)cccc34)sc2c1 73635523 ZYFLTFJGGZTOMI-UHFFFAOYSA-N 368.299 6.496 0 40 FKAB CC(C)c1noc(-c2ccccc2C(=O)N[C@@H](C)c2ccccc2Cl)n1 84631154 SUDBJXILRFOCFC-ZDUSSCGKSA-N 369.852 5.004 0 40 FKAB O=C(NCc1ccc(-c2nccs2)cc1)c1cc(Cl)ccc1Cl 90608889 FFPKGPSTIYDIIP-UHFFFAOYSA-N 363.269 5.047 0 40 FKAB O=C(Cc1ccccc1)Nc1cc(NCc2cccc3cc[nH]c23)ccc1F 97235433 VLLVNLVAGFCBPI-UHFFFAOYSA-N 373.431 5.100 0 40 FKAB C[C@@H]1O[P@](=O)(Nc2cc(Cl)ccc2Cl)O[C@H]2CCCC[C@@H]12 105036796 UARSWUVSJHAZAE-HDMILXHLSA-N 350.182 5.508 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223072682 XXKNNJRYHGERCE-YCRPNKLZSA-N 371.908 5.254 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1C(C)C 223330527 VZIBCLUOTOLFLU-QGZVFWFLSA-N 369.505 5.405 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)c2ccccc12 225829362 JHHMZXORSPTINT-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB CCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1 226356051 QZRLCSIVFLZOJS-UHFFFAOYSA-N 369.804 5.113 0 40 FKAB CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 256109114 KRYOQEAJTHSPKQ-ASDGIDEWSA-N 366.718 9.668 0 40 FKAB O=C(CCc1ccccc1)c1ccc(Br)cc1OC(F)(F)F 575362669 VNYSJGQGGRVQAC-UHFFFAOYSA-N 373.168 5.163 0 40 FKAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 666439 AAOUIXJFEULGKK-GOSISDBHSA-N 366.873 5.393 0 40 FKAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 706212 BNXJXEDYNSPUKP-FQEVSTJZSA-N 364.832 5.120 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cc(Cl)ccc1OC 949551 YMVQRJQUWKYKBZ-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Clc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(Cl)cc2)cc1 1719998 DDWSBPXXVYZECX-UHFFFAOYSA-N 365.263 6.513 0 40 FKAB Fc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)c1 2689438 HDSVUNWDJHLFAF-UHFFFAOYSA-N 353.400 5.391 0 40 FKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1 2749919 VTOBSCOKMGDEHY-CQSZACIVSA-N 366.486 5.585 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 3068814 ZPZFPYMSXCLYEY-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB O=C(CSc1nncc2ccccc12)c1ccc2c(c1)-c1ccccc1C2 3299105 XZJDEALLUSHTSW-UHFFFAOYSA-N 368.461 5.176 0 40 FKAB CC(C)COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 3399437 GCCJCGJCMQRGIJ-UHFFFAOYSA-N 373.250 5.201 0 40 FKAB CC(=O)Oc1c(-c2ccccc2)[nH]c2cc(N)c(/C=C/c3ccccc3)cc12 3844609 PLUKDXWIMWMIOB-OUKQBFOZSA-N 368.436 5.513 0 40 FKAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4026083 HIAJCGFYHIANNA-HBRDEYFMSA-N 374.565 5.427 0 40 FKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[P@](=O)(Nc1ccccc1)c1ccccc1 4069880 CPRRSKIORQJWCQ-WYGBCJSASA-N 355.462 6.163 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1 4183357 QGZONBIHBAQBPR-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2c1 4406449 UZBOFUSGPJRTHK-CYBMUJFWSA-N 368.502 5.233 0 40 FKAB C[C@H](C[C@H](CC[C@H](C[C@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410134 RBOUZWSMOPFOLI-ZDNVTZCJSA-N 368.694 6.552 0 40 FKAB O=C(Nc1cccc(Cl)c1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4482013 RRSLLQLMRWNJBR-ARJVPZMDSA-N 358.696 5.135 0 40 FKAB CC(C)(C)Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 4690151 AHIJLGPGBJGZLI-UHFFFAOYSA-N 367.474 5.171 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 4898351 WPGSJVUKSMYCJB-WJNSRDFLSA-N 357.497 5.232 0 40 FKAB FC(F)(F)c1ccccc1-n1c([C@@H]2C[C@H]2c2ccccc2)n[nH]c1=S 6276952 VUJAEUFYTOFJDK-QWHCGFSZSA-N 361.392 5.220 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)nc2ccccc12 6552865 QTTBSOCXYSRLLS-UHFFFAOYSA-N 365.864 5.131 0 40 FKAB CC(=O)c1ccc(O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7338035 HZQMORGMHPRMFK-DEOSSOPVSA-N 369.420 5.374 0 40 FKAB Cc1ccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(Cl)c1 11154083 ZKBZDEWWSGEKSW-FQEVSTJZSA-N 370.905 5.028 0 40 FKAB C[C@@H](c1ccccc1)n1c(-c2csc3c2CC[C@@H](C)C3)n[nH]c1=S 13950202 ANPFXFLVVYEHRV-OLZOCXBDSA-N 355.532 5.403 0 40 FKAB CC(C)(C)c1ccccc1OCCNc1cccc(OC[C@H]2CCCO2)c1 19738608 CIMRMUMNSIUBPM-HXUWFJFHSA-N 369.505 5.033 0 40 FKAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 20111519 XSCIFEIYUNKASR-SVTZGKHISA-N 364.272 5.283 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20452399 HKXPYPWAXWTFMC-KRWDZBQOSA-N 351.368 5.118 0 40 FKAB COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1 21017265 OTMGJPHTDXQHFK-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)c1 22714040 HOKAGPPWOLEVKP-UHFFFAOYSA-N 373.383 5.160 0 40 FKAB biogenic Cc1cc2occ(C(=O)Nc3ccc4ccccc4c3)c(=O)c2cc1Cl 27749009 BYJGTXHWQIMPBW-UHFFFAOYSA-N 363.800 5.160 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 58687822 MTNNWEMXXUYLOQ-UHFFFAOYSA-N 367.880 5.518 0 40 FKAB Clc1ccccc1-c1csc(Nc2cccc(Br)c2)n1 67321777 FCWQPUSKVKEYJX-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB CN(C)CC1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(F)cc1 71405258 KCFLGYCAABMXLC-NRFANRHFSA-N 365.473 5.384 0 40 FKAB O=C(Nc1ccccc1Cl)N(CCc1cccs1)Cc1ccco1 75154772 XAVCMXHRHAAZFH-UHFFFAOYSA-N 360.866 5.271 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1 95582293 BEYVMNMZCCVPFW-UHFFFAOYSA-N 366.258 5.297 0 40 FKAB Cc1ccccc1NC(=O)NCc1sc(-c2ccccc2C)nc1C 96024548 NJKCIRIOTNJYRT-UHFFFAOYSA-N 351.475 5.057 0 40 FKAB O=C(O)c1c(-c2cc3ccccc3o2)nc2ccccc2c1-c1ccccc1 96026317 NHTFKOLFEYUVFE-UHFFFAOYSA-N 365.388 6.013 0 40 FKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Oc2ccccc2)cc1 96586356 MOHQBBHNLOERKO-UHFFFAOYSA-N 373.452 5.375 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 222720438 LSKPQAGKYYWQNR-UHFFFAOYSA-N 362.228 5.144 0 40 FKAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C 222954796 QAFARXUPIBCBJX-VWLOTQADSA-N 373.496 5.150 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1 225352536 UBGMUZNEHCAQLP-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 225530853 TXAIPFAEDIQBAK-QGZVFWFLSA-N 367.489 5.323 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408535166 YEHRSWXHGSJTNQ-UHFFFAOYSA-N 361.869 5.478 0 40 FKAB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1C 408617348 AGTRSYWACWBNPR-UHFFFAOYSA-N 368.889 5.237 0 40 FKAB O=P(Nc1ccccc1)(Nc1ccccc1)Oc1cccc(Cl)c1 658453 GYLHKEZFHVNIOV-UHFFFAOYSA-N 358.765 6.051 0 40 FKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 678781 NDRFCOKOHBSPQW-UHFFFAOYSA-N 360.413 5.638 0 40 FKAB CCn1c(CNc2ccc(C)cc2)nnc1SCc1ccccc1Cl 886988 HRVIGXCMFULLJD-UHFFFAOYSA-N 372.925 5.164 0 40 FKAB Cc1ccc(NC(=O)[C@H]2CC2(c2ccccc2C)c2ccccc2C)cc1 1058613 BAWNHTVRPCGAOE-HSZRJFAPSA-N 355.481 5.557 0 40 FKAB CCc1nc(SCC(=O)c2ccc(C)cc2)c2c(C)c(C)sc2n1 1372130 XYANOGTWKPMWAB-UHFFFAOYSA-N 356.516 5.154 0 40 FKAB O=S1(=O)CC[C@@H](Sc2ccc(Cl)cc2Cl)c2ccsc21 1398499 DJEHHNLBDPLXER-LLVKDONJSA-N 365.328 5.066 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)Cc4ccccc4)c3C)nc2c1 1413941 AEIXTVAVTMLQTJ-UHFFFAOYSA-N 370.452 5.601 0 40 FKAB CC1(C)C[C@@](C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21 1440847 VSHLILKLIDPGCI-SFHVURJKSA-N 369.244 5.086 0 40 FKAB in-vitro c1ccc(C2(c3ccccc3)SC2(c2ccccc2)c2ccccc2)cc1 1599184 CFNPDJLAYSQJAZ-UHFFFAOYSA-N 364.513 6.621 0 40 FKAB COC(SC)(SC)c1cc(-c2c(Cl)cccc2Cl)no1 1611281 NKDQBJRWKOSACQ-UHFFFAOYSA-N 350.292 5.131 0 40 FKAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc3ccccc23)cc1 2305391 WNALBZROMLVSKB-UHFFFAOYSA-N 362.432 5.514 0 40 FKAB CCc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2317922 NABHEKKCZJWBKK-UHFFFAOYSA-N 350.425 5.198 0 40 FKAB CCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c[nH]c1-c1ccccc1 3407947 TXUUOETWIKWZDN-UHFFFAOYSA-N 373.374 5.468 0 40 FKAB O=C1[C@H](C23CC4CC(CC(C4)C2)C3)CC[C@H]1C12CC3CC(CC(C3)C1)C2 4198908 WUYQWHVQVHYWPK-ZTWKSVLHSA-N 352.562 6.015 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 4540004 OWEFTUUJLJQQHN-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1c(Cl)cccc1Cl 4679304 CDMQSNAPXOSPLL-UHFFFAOYSA-N 366.679 5.659 0 40 FKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1cccc2ccccc12 4788342 GEPYGDSDXRTPJA-MOADCYBESA-N 374.480 6.003 0 40 FKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 5744825 ZLXQALFSPQPDKB-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB O=C(CCc1nc2ccccc2s1)Nc1ccc(-c2ccccc2)cc1 6426422 WYGAKFFJDFGVPM-UHFFFAOYSA-N 358.466 5.535 0 40 FKAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 7643518 PHEQQDXTZCPBOV-AWEZNQCLSA-N 368.477 5.073 0 40 FKAB CSc1cc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 7779172 ZCITXBZBQCYYRD-UHFFFAOYSA-N 362.376 5.228 0 40 FKAB Cc1cccc(NC(=O)c2c(C)nc3ccccc3c2-c2ccccc2)c1 7847332 WHWSWGFEOQUZCN-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB CCn1c(S[C@H](C)c2nc3ccccc3s2)nnc1-c1ccoc1C 8316403 IMNFWEKINNJYRP-GFCCVEGCSA-N 370.503 5.329 0 40 FKAB C[C@H]1Cc2cc(CNc3ccc(Br)c(Cl)c3)ccc2O1 10299692 DUCLRILPVMIWAG-JTQLQIEISA-N 352.659 5.038 0 40 FKAB CCc1ccc([C@H](NC(=O)Cc2c[nH]c3ccccc23)c2cccs2)cc1 10447648 SKYJDFGEXFSOFU-QHCPKHFHSA-N 374.509 5.240 0 40 FKAB CCc1sc(NC(=O)c2c(C(C)C)noc2C)nc1-c1ccc(F)cc1 12191845 UTHZMGJLOJGAFL-UHFFFAOYSA-N 373.453 5.184 0 40 FKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(C)c(F)c3)cc2)cs1 12564001 YTBDIPZSHCMLLE-CYBMUJFWSA-N 369.465 5.005 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 14268897 BLSQSRBWQIQFSE-ZDUSSCGKSA-N 363.288 5.625 0 40 FKAB CCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(C)cc2)cs1 17086986 IHRNEYJGZBXPID-UHFFFAOYSA-N 366.486 5.184 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccccc5C)(C4)C2)C3)cc1 18009528 VIAZCZQNNMVQIY-KVEMZPMDSA-N 359.513 5.780 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 21312127 HUPUIOAGIGEMFK-QGZVFWFLSA-N 351.368 5.064 0 40 FKAB Cc1cccc(Nc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 22053462 YWNWZACQLQKSOO-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 33040215 WPAOCLONHUDOTL-SFHVURJKSA-N 365.521 5.239 0 40 FKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccccc1 59055505 ODFNIFYAPPDTEG-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 59351484 YQSKYLFQURIEJW-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 70008166 FGKRFTOVSLLUPN-JOCHJYFZSA-N 360.432 5.862 0 40 FKAB Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)n1 71977902 OBIXAANINVSMFY-UHFFFAOYSA-N 350.636 5.353 0 40 FKAB CCOc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 101217121 RNZIOCZUKBKLJP-RBBKRZOGSA-N 369.468 5.581 0 40 FKAB COc1ccc(-c2c/c(=N\CCc3ccccc3)c3cc(C)ccc3o2)cc1 101268698 MFSIZHOIUMUUCK-WNAAXNPUSA-N 369.464 5.560 0 40 FKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccccc1F 107040782 VAIKLYDRBHRAFJ-UHFFFAOYSA-N 351.421 5.334 0 40 FKAB CN(C)CCCN1c2ccccc2Sc2ccc(Br)cc21 144038537 MEYGNYCKJKFOTR-UHFFFAOYSA-N 363.324 5.004 0 40 FKAB in-vitro CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)c(OC)c1 219658322 JBXXAULSRYYGEQ-KRWDZBQOSA-N 373.518 5.085 0 40 FKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1-c1ccccc1 222911065 SPHAWZUVIUSIOR-SFHVURJKSA-N 371.480 5.638 0 40 FKAB FC(F)(F)c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225859514 ZYMHBWZKTPSAFS-UHFFFAOYSA-N 370.465 5.523 0 40 FKAB O=C(Nc1ccccc1)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 1397255 QZVWVECITZHWEP-UHFFFAOYSA-N 356.450 5.729 0 40 FKAB O=C(c1ccccc1)[C@@H]1CC=C(c2ccccc2)N(Nc2ccccc2)C1 2250494 RKHYNOXFSRSQGC-OAQYLSRUSA-N 354.453 5.259 0 40 FKAB Cc1cc(Oc2nc(-c3ccncc3)nc3ccccc23)cc(C)c1Cl 2250961 YYWZDBHAAGWOJO-UHFFFAOYSA-N 361.832 5.754 0 40 FKAB Cc1c(C)c(C)c(CSCCC(=O)c2ccc(Cl)cc2)c(C)c1C 2531668 JKWXNULOAVLICQ-UHFFFAOYSA-N 360.950 6.388 0 40 FKAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc2ccccc2c1 2645366 AZACFDAAXOLSBJ-UHFFFAOYSA-N 353.487 5.247 0 40 FKAB O=P1(NC[C@H]2CCCO2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205503 WXLCTURUSKDZSZ-LJQANCHMSA-N 367.385 5.061 0 40 FKAB Clc1ccc(Cc2cn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 5020438 CDTCHJQZSSGWPZ-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(C)cc1C 5736055 HVOJRGYQIHEFSM-UHFFFAOYSA-N 366.486 5.821 0 40 FKAB FC(F)Oc1ccccc1/C=C/c1nc2c(ccc3ccccc32)s1 5860969 VOMOXQZMAKXFQD-ZRDIBKRKSA-N 353.393 6.221 0 40 FKAB CCCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 6657305 PFQSFHSUQBMKEY-GHRIWEEISA-N 355.484 5.284 0 40 FKAB CCCCC1CCC(C(=O)N(Cc2ccccc2)c2ccccn2)CC1 6804389 SZOIGNXLIKKBEN-UHFFFAOYSA-N 350.506 5.611 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 8498014 NQUPAXNNJRWFOB-XMMPIXPASA-N 373.496 5.381 0 40 FKAB Cc1cc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)no1 9054051 OMLDXALUMJXJBN-UHFFFAOYSA-N 372.469 5.178 0 40 FKAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 13014746 PLSBTBSOATZQCR-AWEZNQCLSA-N 352.409 5.066 0 40 FKAB O=C(O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 13717297 HOUKYDKEDDGRPK-UHFFFAOYSA-N 362.410 5.220 0 40 FKAB O=C(CN[C@@H]1CCCc2ccccc21)Nc1ccccc1Oc1ccccc1 14123946 OROZGAJYFXQCSG-OAQYLSRUSA-N 372.468 5.085 0 40 FKAB CCC[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 15318054 ZPUSRYDZNGSVCS-AWEZNQCLSA-N 353.796 5.464 0 40 FKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(COc2ccccc2)o1 15432055 FGOZVSRMIDPOCR-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB Cc1ccccc1CC(=O)N(c1ccccc1)c1nc2ccccc2s1 32722594 BMPYYCAVTCJUHQ-UHFFFAOYSA-N 358.466 5.512 0 40 FKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OC 36815581 SISCCHZGVODPOP-UHFFFAOYSA-N 370.674 5.040 0 40 FKAB CC(C)C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 38755056 PJNRJLIIRAJKNX-HSZRJFAPSA-N 373.496 5.783 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 78458304 ZTGBFLNPVLITNI-HOTGVXAUSA-N 359.897 5.164 0 40 FKAB CC1(C)c2cc(Br)c(Br)cc2C(C)(C)C1(C)C 96171771 ITLDRLRGWPXKBT-UHFFFAOYSA-N 360.133 5.807 0 40 FKAB CCOc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 101217115 RNZIOCZUKBKLJP-IFMALSPDSA-N 369.468 5.581 0 40 FKAB CCCOc1c(Br)cc(CNc2ccccc2)cc1OCC 106992388 QTBKFYHRTBMNCA-UHFFFAOYSA-N 364.283 5.249 0 40 FKAB C[C@@H](NC(=O)/C(=C/c1cccs1)c1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 110560822 WREBBBLIVDZORN-GXCGTKSESA-N 357.544 5.291 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC21SCCS1 118919298 WROCQXQWVLSOQA-MILMJNAHSA-N 364.620 5.486 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cl)cc1 222912123 KXPUQCAAEOQMPN-LJQANCHMSA-N 359.897 5.111 0 40 FKAB Cc1cccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)n1 223995397 QWAIKJYPJHTJSD-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224341747 IBMSDTUDZXBNHI-INIZCTEOSA-N 357.519 5.214 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OCC 225063442 RSCXSALAPALWNL-MRXNPFEDSA-N 369.505 5.273 0 40 FKAB Cc1c(Cl)cccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225071138 OEVXZPDORHMODN-OAQYLSRUSA-N 366.844 5.390 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2ccccc2F)c2ccccc2)c1 225698681 KEXULGFVZIJAAB-HXUWFJFHSA-N 350.462 5.210 0 40 FKAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2ccccc12 225811335 PTOWUXJDBBGKGE-UHFFFAOYSA-N 355.478 5.162 0 40 FKAB Clc1cc(Br)cc2nc(-c3cccc4ccccc34)[nH]c12 226342918 FIYSACIKRMBDRM-UHFFFAOYSA-N 357.638 5.799 0 40 FKAB C[C@]12CC[C@H](Cc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 253617550 UYEUVWXDRDBSDY-CMDGYKDHSA-N 350.590 7.278 0 40 FKAB O=C(CCc1cccc(Cl)c1)N[C@H](c1ccsc1)c1cccs1 390826228 FVGMWLAZGJALHQ-GOSISDBHSA-N 361.919 5.301 0 40 FKAB Cc1cccc(C)c1NC(=O)CSc1cc(C)c2ccc(C)c(C)c2n1 923670 DVYNVRCLGCMHBN-UHFFFAOYSA-N 364.514 5.508 0 40 FKAB COc1ccc2c(c1)NC(C)(C)c1ss/c(=N\Cc3ccccc3)c1-2 994696 MGULHXGPXNLPSV-VZCXRCSSSA-N 368.527 5.247 0 40 FKAB Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1C 997534 NDYILSLRFWVIBM-UHFFFAOYSA-N 372.877 5.098 0 40 FKAB Fc1ccc(Nc2ncc(-c3ccc(Br)s3)s2)cc1 1000180 OYWJECCPUGANSC-UHFFFAOYSA-N 355.257 5.517 0 40 FKAB CCCc1cc(-c2onc(C)c2-c2cc3ccccc3o2)c(O)cc1OC 1508603 WEZALNQUCKRNAO-UHFFFAOYSA-N 363.413 5.730 0 40 FKAB biogenic O=C(Oc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 2667037 YOPDOQLXYIFUPG-UHFFFAOYSA-N 359.812 5.774 0 40 FKAB CSc1ccc(-c2nc(S)c3c(n2)Oc2c(C)cccc2C3)cc1 2693959 OHCGSAWNJPJILO-UHFFFAOYSA-N 352.484 5.159 0 40 FKAB Cc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1-c1ccccc1 3058431 WLGPGHAAENNJGL-UHFFFAOYSA-N 361.448 6.039 0 40 FKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)CCc2ccccc2-3)cc1 3250541 PNAHQPQDQXQYNG-UHFFFAOYSA-N 367.517 6.526 0 40 FKAB CC(=O)Nc1ccc(Oc2nc(-c3cccs3)nc3ccccc23)cc1 3415665 KKUWWWHFIPVDRJ-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB FC(F)(F)Oc1ccc2nc(/C=C/c3ccco3)c3c(c2c1)SCC3 4053543 XTTLYQJIBNYKKL-HWKANZROSA-N 363.360 5.545 0 40 FKAB CCCCCC(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 4184165 POFHNEYIKSXJOT-UHFFFAOYSA-N 350.462 5.939 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 4676065 UXVYGIBJGVASFV-FYYLOGMGSA-N 358.416 5.376 0 40 FKAB Fc1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 4969905 PVBNMNPRMBECDK-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB Cc1ccc2c(Cl)cc(Cl)c(Oc3ncnc4sccc34)c2n1 5560704 FZVRPSYQTMCOEP-UHFFFAOYSA-N 362.241 5.647 0 40 FKAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)N1CCc2ccccc21 5780538 SCCMBTWUSKKCNB-NSHDSACASA-N 374.918 5.020 0 40 FKAB CSc1ccc(-c2c/c(=N\c3ccccc3N)c3ccccc3o2)cc1 6662701 RSVUMWOVGAVRIF-HIXSDJFHSA-N 358.466 5.636 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccc(Cl)cc1 7155980 RGTFIPAVKDNERZ-VAWYXSNFSA-N 364.857 5.271 0 40 FKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 7735786 FKWDEAXFXYHEFQ-INIZCTEOSA-N 361.470 5.440 0 40 FKAB CO[C@]1(C)Oc2cc3c(cc2[C@@H](c2cccc4ccccc24)[C@H]1C)OCO3 8925711 SONOGXSWMVNWJK-BQKRCXSJSA-N 362.425 5.092 0 40 FKAB CN(C(=O)/C=C/c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 10802810 MRLJXQAACUZRNU-ARKBFRDHSA-N 351.446 5.148 0 40 FKAB Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)o1 13858359 NRMHIDNCTRDDRQ-IBGZPJMESA-N 361.470 5.136 0 40 FKAB aggregator Cc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1 15732373 DZFOFLARBXNWGB-UHFFFAOYSA-N 352.397 5.255 0 40 FKAB C[C@@H]1C[C@@]2(c3ccccc3)[C@@H](c3ccccc3)C(=O)N2c2ccccc2S1 17154338 GCODYFLTABRQQV-OUPRXKBMSA-N 371.505 5.597 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC(C)C)cc1 20459895 RHIVIPOIEZUQFM-QFIPXVFZSA-N 363.457 5.423 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3onc4c3C[C@@H](C)CC4)sc2c1 27794916 DPOLVGLCIRFXCS-VIFPVBQESA-N 360.866 5.228 0 40 FKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccccn2)nc2ccccc12 32100603 DBILJPIYOINHPK-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](CC(C)(C)C)c2ccccc2)no1 46897075 MGIPBPFBWGZXLT-RTBURBONSA-N 355.482 5.007 0 40 FKAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Cl)c1 57508825 XYKXAGQFBGZXCH-AUUYWEPGSA-N 370.905 5.108 0 40 FKAB O=C(CCCc1ccccn1)Nc1ccc(F)cc1-c1ccc(Cl)cc1 79040548 XEPPFJULURWMMX-UHFFFAOYSA-N 368.839 5.503 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1 98086876 OUJYDLYSVRFNBM-UHFFFAOYSA-N 370.452 6.179 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222817325 IUNBWPPSPYPGFH-GOSISDBHSA-N 361.485 5.355 0 40 FKAB C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222940503 JXESGFCTAMFXIR-GOSISDBHSA-N 363.545 5.673 0 40 FKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 224054063 AMCIJLHEZDXRHX-MBSDFSHPSA-N 365.517 5.236 0 40 FKAB CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225407772 PZFNEAONMMMQHZ-INIZCTEOSA-N 370.562 5.819 0 40 FKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C 225747614 KKKVHIUPQGXWSS-JOCHJYFZSA-N 363.542 5.796 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248031273 QMVCEBOCNCJYHR-BDIVZWSOSA-N 361.485 5.387 0 40 FKAB Fc1cccc(Cc2ccc(C3CCN(C[C@H]4CC=CCC4)CC3)nc2)c1 257292827 QNCMKOPQBNHFCM-IBGZPJMESA-N 364.508 5.347 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)nn2-c2ccccc2)cc1 408723971 BIQNPQKLKCOANL-UHFFFAOYSA-N 371.415 5.239 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(Cl)c2)cc1 409111968 BBHJEBBWUPSSDU-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB COc1ccc2c(c1)-c1c(sn(Cc3ccccc3)c1=S)C(C)(C)N2 1418659 MZYXHCDPIHKPQW-UHFFFAOYSA-N 368.527 5.664 0 40 FKAB CC[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1)c1ccccc1 2073536 BZZVKZLVYDNDMH-QFIPXVFZSA-N 372.468 5.380 0 40 FKAB COc1cccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)c1 2103620 MOWTYGGSGCLOFK-UHFFFAOYSA-N 374.392 5.173 0 40 FKAB biogenic C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccccc1 2322927 JHEJTELHSRTSOX-IERDGZPVSA-N 360.432 5.418 0 40 FKAB CCCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 3454618 LSPPQHOKMKEACV-LBPRGKRZSA-N 358.488 5.114 0 40 FKAB Cc1ccc(OCCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1 3655974 IJQHJTXIIRPWGJ-UHFFFAOYSA-N 359.425 5.243 0 40 FKAB Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1Cl 4088511 KOOCDILJKRJFHZ-UHFFFAOYSA-N 361.257 5.105 0 40 FKAB Cc1cc(C)c2nc(C)cc(C(=O)Nc3ccccc3-c3ccccc3)c2c1 4183431 TYWMZCTTWOPVNK-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB CCCCOc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 4577727 QWQUZZQJNYOOBQ-QHCPKHFHSA-N 365.517 5.318 0 40 FKAB Clc1ccc(OCCn2c(/C=C/c3ccco3)nc3ccccc32)cc1 5235192 DMOJLRILILUKHU-VAWYXSNFSA-N 364.832 5.532 0 40 FKAB Cc1[nH]c2ccccc2c1C(c1ccc(N)cc1)c1c(C)[nH]c2ccccc12 5495353 UGXXHPQLFLIBIP-UHFFFAOYSA-N 365.480 6.028 0 40 FKAB COc1cc(C)c(NC(=O)c2ccccc2Oc2ccccc2)cc1OC 5616869 WJZQTYLCCXMJGZ-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCCCCC1 6341981 QCTSRTROUOXZGO-UHFFFAOYSA-N 364.876 5.571 0 40 FKAB COc1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl 6459320 ROFARWHDXCMJNB-UHFFFAOYSA-N 373.909 5.183 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CSC1=Nc2ccccc2CS1 6588206 YAEPNNWANRFHET-UHFFFAOYSA-N 352.484 5.327 0 40 FKAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N[C@H](C)c1ccc(F)cc1 6588321 NMIAWNRRNJLHKN-OLZOCXBDSA-N 374.506 5.059 0 40 FKAB CC(C)(C)c1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)on1 6648488 FNXSSTCMNWEMSC-LJQANCHMSA-N 366.486 5.444 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 8049786 IKFSWHWJTLDLTF-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccc(Cl)cc1 9048975 NDJXEOHRBLXQNV-CYBMUJFWSA-N 357.240 5.092 0 40 FKAB CSc1ccc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1 12462208 RMJXSXJEONTQCV-JWZKOSBISA-N 354.500 5.081 0 40 FKAB Cc1oc2c(c1C)c1c(c3oc(=O)cc(-c4ccccc4)c32)CCC(C)(C)O1 12893170 VVIMZNJNHFZMDO-UHFFFAOYSA-N 374.436 5.927 0 40 FKAB biogenic Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C1CCCCC1 15783777 JHOYNXAOGXZIKV-UHFFFAOYSA-N 362.926 5.011 0 40 FKAB O=c1nc(SCc2ccccc2Cl)c2c(n1C1CCCCC1)CCC2 15840349 XHUALUFSIKMHGB-UHFFFAOYSA-N 374.937 5.183 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 20451837 IUFGRNCPTRPKOQ-VWLOTQADSA-N 373.496 5.403 0 40 FKAB CCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(C)ccc21 22234720 DHWJDSNHEMPKHT-UHFFFAOYSA-N 362.473 5.014 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)N1c2ccccc2Sc2ccccc21 22525163 ORSMJKYQTANMJT-GOSISDBHSA-N 372.493 6.077 0 40 FKAB CCc1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1 27584632 RTMLHCISAFAVBJ-UHFFFAOYSA-N 350.849 5.144 0 40 FKAB c1csc(-c2cc3sc4cc(-c5cccs5)sc4c3s2)c1 30678521 XZXZMTZHQRZENH-UHFFFAOYSA-N 360.575 7.635 0 40 FKAB Clc1cccc(Cl)c1COc1ccc(-c2nc3ccccc3[nH]2)cc1 41005169 CQAZSJCGXNLWSW-UHFFFAOYSA-N 369.251 6.116 0 40 FKAB Cc1ccccc1CC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C 41107573 DKFCKFOLIJEMJN-UHFFFAOYSA-N 372.493 5.761 0 40 FKAB CN(Cc1ccsc1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 44775005 MYKTZCYPIRITIZ-HZPDHXFCSA-N 368.527 5.066 0 40 FKAB CCOc1ccccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 57316157 YLUOKJOQGHQUNH-UHFFFAOYSA-N 355.478 5.179 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 71761667 PAAYEBAHWOFCLP-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB Cc1cc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc2n1 89583069 IXPSBMFSOYHPQY-HXUWFJFHSA-N 362.864 5.132 0 40 FKAB CCCCc1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 216440607 APQZLPPQPGANMR-UHFFFAOYSA-N 369.505 5.398 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219587398 IPWZSKPFONJARL-LAUBAEHRSA-N 353.506 5.327 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)Sc1ccccc1 225132026 HULGKRYLRQEEMG-HXUWFJFHSA-N 366.507 5.626 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cc(C)ccc2C)cc1 225496830 HKIFMBDWTJNUKB-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)c1OC(C)C 225521668 NLIRQWJFMZKUBR-UHFFFAOYSA-N 369.480 5.680 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cccc(Cl)c2oc1=O 226039639 WXGAERCBAZFOHV-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(N)c1 226349050 COQQSVXUZJSZMY-UHFFFAOYSA-N 361.228 5.396 0 40 FKAB Cc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccccc2)cc1 408822417 BNZSNXOMRBTYLJ-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB CCCn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21 409324963 WGGOCZBDGQVZSR-CPNJWEJPSA-N 362.454 5.292 0 40 FKAB O=C(CCc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 683122 VVBOYTPNJNDWBX-UHFFFAOYSA-N 363.844 5.142 0 40 FKAB CCc1nc2ccccc2c(C(=O)Nc2ccc(Br)cc2)c1C 858876 NHQIEDYGRGCEKC-UHFFFAOYSA-N 369.262 5.120 0 40 FKAB COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1 1107325 ATOYXQCBMJKCES-ZDUSSCGKSA-N 358.869 5.673 0 40 FKAB CCCCC[C@H]1CCC[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2352007 IRWVQKFPMGWMKU-VQTJNVASSA-N 364.529 7.296 0 40 FKAB CCCCCC(=O)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 2702034 NFPCPUBVEXOENH-CYBMUJFWSA-N 373.107 5.112 0 40 FKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 3060811 DLDPBUKMUZFLTO-QHCPKHFHSA-N 369.508 5.865 0 40 FKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4301377 HTEDHDXDXIPNOV-ZCYQVOJMSA-N 368.480 6.052 0 40 FKAB c1ccc([C@@H]2C[C@@H](c3ccccc3)[C@H]3CCCc4c3n2c2ccccc42)cc1 4859656 FHODAKNLNSDHSR-USZFVNFHSA-N 363.504 6.838 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1N1CCCC1 5024657 VPMQJSXPMZNSJY-CSKARUKUSA-N 361.272 5.246 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc1 5030287 KZLHHEXDAGAEAQ-UHFFFAOYSA-N 368.484 5.845 0 40 FKAB CCc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459065 YILJBYRSIULZSG-JTHBVZDNSA-N 371.459 5.884 0 40 FKAB CC(C)CC[C@H](CCNCc1ccc(F)cc1)c1ccc(OC(C)C)cc1 5478194 PKJMQBMPIJBJNA-JOCHJYFZSA-N 371.540 6.313 0 40 FKAB Cc1ccc(N=[P@](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1C 5571046 XJLZGQJEKXLXAO-RUZDIDTESA-N 355.466 5.666 0 40 FKAB Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3C)c2cc1C(C)C 5938163 IWSLJJLRDTZDMW-UHFFFAOYSA-N 355.865 6.008 0 40 FKAB COc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1 6145604 APMWRKQRQBZGIU-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 6950927 BYDARDULVKMPPK-ATVHPVEESA-N 355.484 5.202 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 7557986 ZEGGRYCBHBNZPL-UHFFFAOYSA-N 366.917 5.739 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 8041783 BMOULDXYCZTVBX-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB CCCN(Cc1ccccc1)C(=S)Nc1cccc(C(F)(F)F)c1 8685130 BCUDSADGAFNFMY-UHFFFAOYSA-N 352.425 5.314 0 40 FKAB O=C(CCc1ccsc1)N1CCCC[C@H]1c1nc2ccccc2s1 12891913 BKMAKODPFXCGLV-INIZCTEOSA-N 356.516 5.044 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3Cl)n2)cc1 17075356 MJINPABRVXXJDZ-UHFFFAOYSA-N 366.798 6.138 0 40 FKAB CCOc1ccc(/N=c2/ssc(SC)c2-c2ccccc2)cc1 18114311 PQSSRCHUVUXKLB-HTXNQAPBSA-N 359.541 5.830 0 40 FKAB CC[C@@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1[C@H](C)CC 19737625 XRMJWJCEFVDYMB-QAPCUYQASA-N 365.439 6.488 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(F)cc1 20105826 CNKKFYZOZHOGLF-BTYIYWSLSA-N 351.421 5.014 0 40 FKAB CC(=O)c1cccc2c1N(C(=O)c1ccccc1-c1ccccc1)CCC2 20311063 OTTGBFUWOKFUAO-UHFFFAOYSA-N 355.437 5.149 0 40 FKAB CC(C)c1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(Cl)cc4)c3C2)cc1 20632750 RFGIQPDTNQIMGK-KRWDZBQOSA-N 364.876 5.562 0 40 FKAB CC(C)c1nc2cc(NC(=O)c3ccc(CSC(F)F)o3)ccc2o1 32818791 BRWYIIFZOIDXJX-UHFFFAOYSA-N 366.389 5.252 0 40 FKAB CCc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38856983 FQXZRGFQWRBRQY-KRWDZBQOSA-N 350.506 5.042 0 40 FKAB Brc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 57352430 RDFUQHGEGRJSDZ-UHFFFAOYSA-N 364.242 5.848 0 40 FKAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Cl)c1 57508814 XYKXAGQFBGZXCH-KUHUBIRLSA-N 370.905 5.108 0 40 FKAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72358010 WITWUHGIJGDHTD-NRFANRHFSA-N 368.908 5.180 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(C)cc2)cc1 106982843 RSYZGMXWLNBMGI-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930822 ACKIMFUPMAASSZ-ZQSNEUJVSA-N 362.598 5.415 0 40 FKAB CCOC(=O)c1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1 199818614 IBWJZYZXFQFCRU-UHFFFAOYSA-N 359.469 5.066 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219319953 WWUMRKIPEXJVQF-JOCHJYFZSA-N 353.506 5.025 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(C(C)C)cc2)cc1 222903237 ZBSXLSGJFWSKQB-HSZRJFAPSA-N 367.533 5.279 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1C)c1ccc(C)c(C)c1 222972073 QMWGNOOWWSHKSM-LEWJYISDSA-N 353.506 5.345 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cc2cc3ccccc3nc2s1 223129407 UDZWRHOLDMIBRX-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223495422 HNFOSLJZNCQWPN-UXHICEINSA-N 367.533 5.688 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(C(C)C)cc1)c1ccc(OC)c(C)c1 224343201 FFLFPTVEZDMTNY-NRFANRHFSA-N 353.506 5.327 0 40 FKAB CCc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 225302174 CGOMXDMYGTWVEJ-UHFFFAOYSA-N 364.967 5.122 0 40 FKAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 225332047 CILSGDVZNDLVJJ-GOSISDBHSA-N 350.289 5.502 0 40 FKAB CCOc1ccccc1NC(=S)N[C@@H](C)CC(C)(C)c1ccccc1 225658587 PKGXUTAXANLZKW-INIZCTEOSA-N 356.535 5.128 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(Br)cc2F)cc1 248034167 REFWSYDPIQIUDC-UHFFFAOYSA-N 368.271 5.018 0 40 FKAB CCCn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 409095966 IXNCQQGZDAWXGH-UHFFFAOYSA-N 357.910 5.225 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2cccc3ccccc23)c1C 409116586 KTRALEWKTWHTSH-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(C)cc2C)cc1 409117483 OURMCSFBTBAQLO-UHFFFAOYSA-N 365.904 6.456 0 40 FKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)cc3C)cc2)c1 409263286 BMRXGDPEYGZDGK-UHFFFAOYSA-N 374.484 5.241 0 40 FKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 846782 DMXBSMVJPZSWMR-PKNBQFBNSA-N 372.424 5.611 0 40 FKAB CC(C)CCOc1ncnc2c1sc1nc3c(cc12)CSC(C)(C)C3 987291 QNCIZHGCKBHKOZ-UHFFFAOYSA-N 373.547 5.232 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl 1097948 HODQSZUKAABPRZ-UHFFFAOYSA-N 370.279 6.154 0 40 FKAB Cc1ccc(CSc2nnc(Nc3ccc(C(C)C)cc3)s2)cc1 3274743 YVDGKDKOJAGUSA-UHFFFAOYSA-N 355.532 6.006 0 40 FKAB Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)c(Cl)c1 3385257 ZCSNZEDGDIPYHE-UHFFFAOYSA-N 359.857 5.230 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 4689075 QJEDCOYXIAKWIY-UHFFFAOYSA-N 368.658 5.062 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)nc2c1 6555316 MBDDAKHPKNXBRT-ZDUSSCGKSA-N 370.880 6.256 0 40 FKAB C[C@@H](NC(=O)c1ccccc1SCc1ccccc1F)c1ccccn1 6820584 UDYMBBJKJCKFJQ-OAHLLOKOSA-N 366.461 5.004 0 40 FKAB CCOc1c(Br)cc(CNC(C)(C)CC(C)(C)C)cc1OC 7521150 QEEORMHMUMADFZ-UHFFFAOYSA-N 372.347 5.161 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8041080 YKMRPFUSXDJJAA-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB Cc1cccc(-c2nc3ccc(NC(=O)COc4ccccc4C)cc3o2)c1 8190262 OTMDUNULLXPBHU-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB CCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 8914859 TUCHBMRHZBTEEK-UHFFFAOYSA-N 373.309 5.612 0 40 FKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@H](C)c1ccccc1 9355403 ZAPJTWFLFOHGKW-OSPHWJPCSA-N 366.464 5.783 0 40 FKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4)n3)oc12 10749285 CAWVDIOLTCIUEK-UHFFFAOYSA-N 364.426 5.207 0 40 FKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1 11024078 RWCQBUWGKJOPGW-OFNKIYASSA-N 358.441 5.645 0 40 FKAB CSc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 11326398 PHOIYBSTCLOCJY-UHFFFAOYSA-N 372.877 5.288 0 40 FKAB COc1ccccc1-c1cc(CSc2ccc(C(F)(F)F)cn2)on1 25592800 ZHHLAYQOMQOBRV-UHFFFAOYSA-N 366.364 5.056 0 40 FKAB Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 30755873 LSBRQTZJHWJQGH-QHCPKHFHSA-N 361.510 5.301 0 40 FKAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC[C@H]2CCC[C@@H]21 75104799 XJKQFOYEAZMGJL-NQIIRXRSSA-N 356.510 5.332 0 40 FKAB Ic1ccc(CNc2cccc3ccccc23)cc1 105713561 SZXYOGPDTUQFDA-UHFFFAOYSA-N 359.210 5.057 0 40 FKAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219556976 FWBBXDUQNZHUHV-VQIMIIECSA-N 369.505 5.028 0 40 FKAB CSc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222718399 GITPSXYOQRYZHT-UHFFFAOYSA-N 372.342 5.587 0 40 FKAB O=C(CCc1ccc(F)cc1)Nc1ccccc1Sc1ccccc1 223206590 ZEXAOJQPSSDCMN-UHFFFAOYSA-N 351.446 5.548 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966562 QFSHSDFONGSHEE-FQEVSTJZSA-N 372.896 5.126 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(F)c1)c1ccccc1 225504570 FSVVKDQCXNFEEJ-FQEVSTJZSA-N 350.462 5.210 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2O1 225665540 NPBVBZDXEGCKOD-GOSISDBHSA-N 357.881 5.081 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225803400 IODULDLISRFZLL-QFIPXVFZSA-N 357.494 5.551 0 40 FKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c2cccnc12 225897195 GBRBTFNVGAZHBX-QFIPXVFZSA-N 372.509 5.338 0 40 FKAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 226287024 UPVJTQGQBSWBRB-UHFFFAOYSA-N 360.800 5.309 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3cc(-c4ccc(C(=O)O)cc4)ccc3O2)c1 257242325 IBXXNOLDSYESEW-VWLOTQADSA-N 372.464 5.687 0 40 FKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 408565315 JQSYKUIUUHNNPQ-INIZCTEOSA-N 371.502 5.071 0 40 FKAB CCc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 409118334 PDGUOWYKLUUHOJ-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CCOc1cccc(C(=O)Oc2ccc(Br)c3ccccc23)c1 724240 RDNHPZSMZMKIGJ-UHFFFAOYSA-N 371.230 5.220 0 40 FKAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H]1c2ccccc2Oc2ccc(C)cc21 948670 LXHOFSNFCGZTLP-PKTZIBPZSA-N 368.436 5.272 0 40 FKAB Brc1cccc(-c2nnc(-c3cccc4ccccc34)o2)c1 2022289 ZPALJJYBBQOMJP-UHFFFAOYSA-N 351.203 5.319 0 40 FKAB O=C(O)CCCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 2193144 IINWDCCKKXRSHV-KRWDZBQOSA-N 364.919 5.686 0 40 FKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)c1 2455235 NDCAGZOPDGCTOH-UHFFFAOYSA-N 373.765 5.760 0 40 FKAB Cc1ccc(CN2C(=O)c3ccccc3N[C@]23CCCc2ccccc23)cc1 2631658 OBEQSCIIKCWZKT-RUZDIDTESA-N 368.480 5.252 0 40 FKAB S=C(NCCSc1ccc(Cl)cc1)Nc1cccc(Cl)c1 2933948 FMZRISXWNWKXEI-UHFFFAOYSA-N 357.331 5.072 0 40 FKAB Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2C(C)C)CC1=O 4033257 JJOXTAORTUBSPQ-OAHLLOKOSA-N 367.880 5.100 0 40 FKAB Cc1ccc(C(C)C)c(OCC2=NC(C)(C)Cc3c2ccc2ccccc32)c1 4198929 HWZQNTHCVAQVOZ-UHFFFAOYSA-N 371.524 6.474 0 40 FKAB CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC[C@H](C)O 4411078 JKWSRVTYVAMDSV-VQTJNVASSA-N 358.563 5.143 0 40 FKAB O=C(CSc1ccccc1)Nc1nc2c(ccc3ccccc32)s1 5191992 UFOGBZMDGSVTIN-UHFFFAOYSA-N 350.468 5.180 0 40 FKAB CCc1cccc2c(C(=O)CSC3=Nc4ccccc4CS3)c[nH]c12 5297359 LDMBZZZWDARJHZ-UHFFFAOYSA-N 366.511 5.581 0 40 FKAB Clc1ccc2c(c1)nc1scc(-c3ccc(-c4ccccc4)cc3)n12 5318113 BPVOSMSPNIRKQL-UHFFFAOYSA-N 360.869 6.536 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccccc1CCc1ccccc1 5756066 ALMPJTZNMSELCU-UHFFFAOYSA-N 357.497 6.156 0 40 FKAB COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 6736593 VEWSMUDBBFXJNH-UHFFFAOYSA-N 362.212 5.514 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3cccs3)o2)cc1 7779646 WTGDVFJZEOIWME-QGZVFWFLSA-N 365.454 5.188 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 8007107 WGCLXPNLEBJRHH-UHFFFAOYSA-N 368.436 5.878 0 40 FKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCCc2ccccc21 10449471 QHRDOVMEPASKJJ-HEHNFIMWSA-N 373.883 5.860 0 40 FKAB C[C@@H]1CCCc2c1nc1sc3c(c1c2-c1ccc(Cl)cc1)CCC3 12610200 QHWWOKBBCUNGRD-GFCCVEGCSA-N 353.918 6.545 0 40 FKAB C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl 15187525 ZWROENFVQPTUEI-LBPRGKRZSA-N 372.292 5.224 0 40 FKAB CCOC(=O)c1cc(Nc2cc(C)cc(C)c2)c2cc(Cl)ccc2n1 15829241 NDNDJGHEILHKHH-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB CCCOC(=O)C[C@@H](C(=O)OCCC)C(C)(C)/C=C(/C)C[C@@H](C)CCC 17300688 AGNQUSDMKNHBPT-MTBGOMMXSA-N 368.558 5.698 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 19074409 CIKDHLHLXDNQBX-UHFFFAOYSA-N 357.331 5.750 0 40 FKAB CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccc(Cl)cc1)N(C)C 19851565 XWHIBLPWZFUSPE-QKXCFHHRSA-N 366.225 5.074 0 40 FKAB COc1ccc2cc([C@@H]3SCC(=O)N3c3ccc(Cl)cc3)ccc2c1 19927286 QXUSPJJMHOUDGG-FQEVSTJZSA-N 369.873 5.280 0 40 FKAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220370 ZPKWYPBQGAAYHP-LJQANCHMSA-N 370.924 5.314 0 40 FKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 46018725 GQFNTKIGVVWNRE-UHFFFAOYSA-N 361.426 5.026 0 40 FKAB O=C(NCc1cccc(-c2nccs2)c1)c1cc(Cl)ccc1Cl 90608887 CHHHJORHVJPXEG-UHFFFAOYSA-N 363.269 5.047 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 107727140 DAVSIKTZCCYQFE-JLHYYAGUSA-N 368.908 5.716 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)CCCC2 223018843 LIAXENCYQXRAJX-KKSFZXQISA-N 353.531 5.314 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 223452607 UOUSBRWORJOERK-FQEVSTJZSA-N 373.496 5.682 0 40 FKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC1CCCC1 225504882 ZXWZEKWVVOYUEZ-UHFFFAOYSA-N 363.501 5.767 0 40 FKAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225732070 DWECHIHXYFNZAN-JOCHJYFZSA-N 355.478 5.108 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c2ccccc12 225806896 WZCKZJOUSSCBHC-UHFFFAOYSA-N 369.505 5.697 0 40 FKAB Clc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)cc1 253572931 QTZPHLCTKQLJAE-UHFFFAOYSA-N 359.926 5.218 0 40 FKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCCCCC3)o2)cc1 673510 NYDUKJAIMRICCD-UHFFFAOYSA-N 369.505 5.609 0 40 FKAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 706213 BNXJXEDYNSPUKP-HXUWFJFHSA-N 364.832 5.120 0 40 FKAB O=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882159 YJPUGLMSYPVQAF-UHFFFAOYSA-N 366.467 5.312 0 40 FKAB Cc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)c1 996975 KIJXRDMDAHGDIR-UHFFFAOYSA-N 356.400 5.602 0 40 FKAB CCOC(=O)C(C)(c1[nH]c2ccccc2c1C)c1[nH]c2ccccc2c1C 1691957 OZIOGZXYRIDFKQ-UHFFFAOYSA-N 360.457 5.135 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 2056892 RMQHJZOAZMNOLN-UHFFFAOYSA-N 365.432 5.672 0 40 FKAB CC(C)(C)c1ccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)cc1 2441718 IWPNMELKAVEVIV-QHCPKHFHSA-N 370.496 5.464 0 40 FKAB OC1=NC(=S)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 3011923 BQYXDQFLBJWBBL-OQLLNIDSSA-N 361.875 5.248 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)sc2c1 4320847 FJIMVROHPLMYOC-PKNBQFBNSA-N 360.438 5.517 0 40 FKAB CCCCOC(=O)C(CC)(CCCCC(C)(C)C)C(=O)OCCCC 4416210 GYDHZYBGZPAXCN-UHFFFAOYSA-N 356.547 5.676 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5505386 VLKNXLLWNRFREG-UHFFFAOYSA-N 359.513 5.294 0 40 FKAB Cc1cccc(-c2nnc(SCc3ccc(Br)cc3)o2)c1 5903097 ZSIINAUQXYTCFX-UHFFFAOYSA-N 361.264 5.100 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 6241368 DAXVWBWHMAVVJA-FPYGCLRLSA-N 360.162 5.664 0 40 FKAB Clc1ccc(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)cc1 6576145 WBUIMWIRPFWXLD-LJQANCHMSA-N 355.915 6.759 0 40 FKAB CCCC(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 6709671 IXVPNIPUHRKBCB-UHFFFAOYSA-N 357.453 5.856 0 40 FKAB O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1Cl)c1cccs1 8189439 VLJXKWDHTGTFBI-UHFFFAOYSA-N 362.882 5.173 0 40 FKAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccccc1)[C@@H]2O 10272326 ZPIDDLUDNFHGDG-RGJUVONGSA-N 360.497 5.303 0 40 FKAB COc1cc(C)c(NC(=O)c2ccc(C3CCCCC3)cc2)cc1OC 12699301 LUAPNUVEZABZPH-UHFFFAOYSA-N 353.462 5.312 0 40 FKAB CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)s1 12948149 VEZPOCXJUYSEQV-SECBINFHSA-N 356.274 5.091 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 13931413 HDADOCGXLHWHIM-ZDUSSCGKSA-N 352.425 5.370 0 40 FKAB Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)c1 13960783 XWQYSVSEJGIFQM-UHFFFAOYSA-N 358.872 6.477 0 40 FKAB CCCc1cc([C@@H](CC)[C@@H](CC)c2ccc(O)c(CCC)c2)ccc1O 17303447 VIUBQLSSDPDWRH-SZPZYZBQSA-N 354.534 6.690 0 40 FKAB C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(F)cc1F 21708493 KDOHSDLABKRBMN-HNNXBMFYSA-N 367.395 5.035 0 40 FKAB CC[C@@H](N[C@H](C)c1sc(-c2ccccc2F)nc1C)c1ccncc1 95968428 PJSBTOJEZIVMGA-FZKQIMNGSA-N 355.482 5.455 0 40 FKAB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)[C@H](C)O)[C@@H]3CC[C@@]2(C)C1 118928388 QUWRCMPXPZEVLG-ISVQUIMZSA-N 362.598 5.821 0 40 FKAB Clc1ccc2nc(Cc3nc4ccc(Cl)cc4s3)sc2c1 148740088 BFGXMWMMIZMHQQ-UHFFFAOYSA-N 351.283 5.804 0 40 FKAB O=C(c1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccccc2)CC1 211141968 PPNWNUFHNVOASM-QGZVFWFLSA-N 365.420 5.026 0 40 FKAB COc1ccccc1NC(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223391646 PJSVTFCBUGSZCX-OAHLLOKOSA-N 356.466 5.018 0 40 FKAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1Oc1ccccc1 224443644 WTGHOBDEPHJIPO-UHFFFAOYSA-N 373.452 5.375 0 40 FKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCCCCC1 225660102 YVTRLYDJBFUYRM-GOSISDBHSA-N 361.526 5.630 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@H]12 253617624 ZSXQKJCUWHUJJR-JOUFPCHASA-N 364.573 6.781 0 40 FKAB CCc1ccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 409109445 DZEQNURMUSQPLY-UHFFFAOYSA-N 361.441 5.138 0 40 FKAB Cc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 409114413 HLWDGBBTQBYSOF-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(Cl)c(Cl)c1)CC3 711122 ABQNKCNSRJTIQN-UHFFFAOYSA-N 368.219 5.046 0 40 FKAB Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccco2)cc1 945472 HPSXXVNACVWLTA-FQEVSTJZSA-N 356.874 6.348 0 40 FKAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1 2268380 LMTWSEGLZGNDLN-CQSZACIVSA-N 372.896 6.063 0 40 FKAB CC(C)CC(=O)N[C@@H](Oc1ccc2ccccc2c1)C(Cl)(Cl)Cl 3185513 XCTCSZNFKUZNAQ-INIZCTEOSA-N 374.695 5.077 0 40 FKAB Cc1ccc(C2=Nc3ccc(Cl)cc3C(c3cccs3)=NN2)cc1 4168546 ASVNXASWZKSYKG-UHFFFAOYSA-N 351.862 5.144 0 40 FKAB CC1(C)C2=CC[C@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@]2(C)Cc2cnoc21 5231762 AXLOCHLTNQDFFS-LDYDDDKMSA-N 355.522 5.038 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1ccc2c(c1)OCCCO2 5365810 YALTYOXHWDSCIR-CQSZACIVSA-N 367.470 5.001 0 40 FKAB CC(=O)Oc1ccc(O)c(C[C@@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 5533880 DRSPVCXBVVVLIJ-YWQVJIEVSA-N 356.506 5.659 0 40 FKAB CCCCCCN(CCCCCC)CC[C@@H](O)c1ccc2ccccc2c1 5973023 UNMRNNPYWJZACC-RUZDIDTESA-N 369.593 6.726 0 40 FKAB O=C1[C@H]2CC[C@H](C2)[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 6344730 NBTAGCPQLIPHHH-FVJLSDCUSA-N 361.466 5.468 0 40 FKAB COc1cc(CNC2CCCC2)cc(Cl)c1OCc1cccs1 8470564 BHDKMFYWAWLIPF-UHFFFAOYSA-N 351.899 5.021 0 40 FKAB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 10275975 FIQIXCWWAYHCBV-SFHVURJKSA-N 365.561 6.092 0 40 FKAB Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11327606 IYJADDKFOIAXSG-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB Cc1ccc(N[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1C 12549355 GYABWWRPSMGDHB-ZDUSSCGKSA-N 365.458 5.035 0 40 FKAB CC[C@H](C)c1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12553331 XOFXTHHQPUGRQH-AAEUAGOBSA-N 355.507 5.288 0 40 FKAB CO[C@@]1(C)Oc2cc3c(cc2[C@H](c2cccc4ccccc24)[C@@H]1C)OCO3 12857524 SONOGXSWMVNWJK-CVRXJBIPSA-N 362.425 5.092 0 40 FKAB CCOc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 13612526 JIYDADFYEOQOPA-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)c(C)n1 19524559 QCHUNCXZVBBTPT-SFHVURJKSA-N 370.522 5.045 0 40 FKAB CCC(=O)N(CC)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711975 RYVVQYYFKVJPMW-LEWJYISDSA-N 373.443 5.110 0 40 FKAB O=C(CCSc1nc2ccccc2nc1-c1ccccc1)c1ccccc1 20120536 HPZNITRDGINFHO-UHFFFAOYSA-N 370.477 5.662 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)c(Cl)c1 20671916 RJZDFSSNROLWLC-CQSZACIVSA-N 365.864 5.343 0 40 FKAB Cc1c(C(=O)N(Cc2ccccc2F)c2ccccn2)oc2ccccc12 27992109 LVNCWGYFHNJFHR-UHFFFAOYSA-N 360.388 5.122 0 40 FKAB Cc1ccc(-c2nc(CSCc3nc(-c4cccs4)no3)co2)cc1 32778891 OLFWIWMWNBKTPW-UHFFFAOYSA-N 369.471 5.195 0 40 FKAB COCc1c(C(=O)N(C)[C@H](C)c2ccccc2)sc2cccc(F)c12 37115292 DUPIAYPDQMMRLM-CYBMUJFWSA-N 357.450 5.020 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(C)cc1 38783395 UWLIKCAVLAGWLH-WMZHIEFXSA-N 364.533 5.108 0 40 FKAB CCCCc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 41019344 KJFZFEGBMRYYFQ-UHFFFAOYSA-N 366.436 5.395 0 40 FKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cc(Cl)ccc1Cl 45889064 ZQWWCBHBWOVAFQ-UHFFFAOYSA-N 366.273 5.054 0 40 FKAB FC(F)(F)c1cccc(CN2CCC(c3nc4ccccc4o3)CC2)c1 58829354 NEKAASNFKTYNKM-UHFFFAOYSA-N 360.379 5.226 0 40 FKAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212176 DTJJUUSOODAHBM-NRFANRHFSA-N 358.441 5.241 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1 78458993 AKEWWXCCVRFMEA-RXVVDRJESA-N 353.506 5.462 0 40 FKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(C)cc3)ccc21 137616227 KHRDIJQFQWWJLH-UHFFFAOYSA-N 359.498 5.932 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 216458412 DFHYFFALYRIXIH-IBGZPJMESA-N 374.267 5.943 0 40 FKAB Cc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)nc1 224001187 RGPSOZPGZPMBJA-UHFFFAOYSA-N 373.953 5.232 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(C)cc2)c2ccccc2O1 224841552 MBXBXMXJIXZULQ-HXUWFJFHSA-N 351.490 5.126 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225505488 HJCHSOONPLHICI-FQEVSTJZSA-N 368.452 5.349 0 40 FKAB CC1(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CCCCC1 225855985 BLEIVAUAPZUJGK-UHFFFAOYSA-N 370.587 5.988 0 40 FKAB COc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Br 226246946 DCDXOFPRZBBDKT-UHFFFAOYSA-N 369.218 5.057 0 40 FKAB CCc1sc(Nc2ccc(C)cc2)nc1-c1ccc(Br)cc1 408580611 PYDXLAROWBSDHA-UHFFFAOYSA-N 373.319 6.187 0 40 FKAB CC(C)Oc1ccccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409331658 OCYXMJNGVDOWBX-GZTJUZNOSA-N 373.861 5.368 0 40 FKAB CC(C)[C@@H]1CCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1615055513 ATPADHWCWGRLSB-LJQANCHMSA-N 373.487 5.802 0 40 FKAB CCOC(=O)c1sc(-c2ccc(Oc3ccc(OC)cc3)cc2)nc1C 1772765497 OZUZZEJCLGOITD-UHFFFAOYSA-N 369.442 5.096 0 40 FKAB Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1C 667110 UZYTYJBLKVYPIG-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1ccccc1 951959 KJJVPGHCDTWLAH-UHFFFAOYSA-N 361.228 5.462 0 40 FKAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCCCCC1 996447 BCJMHLRXVXPGOY-UHFFFAOYSA-N 364.876 5.571 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1ccnn1C(=O)c1ccccc1 1402529 XKISVPXAVOCPLK-LBPRGKRZSA-N 361.228 5.018 0 40 FKAB CCCCCN(CCCCC)C[C@H](O)c1cc(Cl)c(Cl)cc1C 1591914 XAOUNCPWJADRER-IBGZPJMESA-N 360.369 6.018 0 40 FKAB CCCCCC(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C 2137476 MIHXDFDHXNFVEW-UHFFFAOYSA-N 350.462 5.939 0 40 FKAB CC(C)[C@@H](CC(=O)NCC[C@]1(C(C)C)CCOC(C)(C)C1)c1ccco1 2148349 NHZYBKGTVOGHHW-GCJKJVERSA-N 363.542 5.147 0 40 FKAB biogenic Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)cc2)cc1 2248009 HLUBIIAYMZOENF-UHFFFAOYSA-N 354.388 5.083 0 40 FKAB Cc1ccccc1-n1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2248118 DGISGOLODHFOCF-UHFFFAOYSA-N 354.388 5.083 0 40 FKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1Cl 2455214 BIHBLVNFSLHIPN-UHFFFAOYSA-N 354.240 5.703 0 40 FKAB S=C(Nc1ccccc1)N1CC[C@@H](c2ccccc2)N1c1ccccc1 3068142 WYNCWEZEMJLRMO-NRFANRHFSA-N 359.498 5.252 0 40 FKAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4074055 NELMHAIFXJZDST-HIPJIPGDSA-N 370.533 5.396 0 40 FKAB biogenic CCc1ncnc(NCc2conc2-c2ccc(C(C)(C)C)cc2)c1Cl 4110204 SGHSWUBWETYWPS-UHFFFAOYSA-N 370.884 5.257 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2)N3)C1 4545522 QZOSEPWFZKOMPW-KDOFPFPSSA-N 354.519 5.718 0 40 FKAB Clc1ccc(Cl)c(Cc2cn3cc(-c4ccccc4)nc3s2)c1 5012432 HEJJHDPSUVENGX-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)N(C/C=C/c1ccccc1)CC2 5192308 WJIDANGHKXCJLA-HJZWWJMASA-N 365.492 5.207 0 40 FKAB O=C(Nc1nc2c(Cl)cccc2s1)c1cccc(C(F)(F)F)c1 5192610 PNVYCKQPBHAVLU-UHFFFAOYSA-N 356.756 5.221 0 40 FKAB Clc1cccc(Cl)c1/C=C/c1nc2c(ccc3ccccc32)s1 6049051 GGTUAJCPYGDCAM-PKNBQFBNSA-N 356.277 6.927 0 40 FKAB c1ccc(Cc2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 6694676 QYSPRYCRXYYAJM-UHFFFAOYSA-N 350.425 5.006 0 40 FKAB COc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 7699536 QNVVKBFESDFECO-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 8534240 RKDCOAARIZXBKN-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB Cc1cccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1C 12595688 MWZLSXKUYHJUAC-UHFFFAOYSA-N 354.453 5.559 0 40 FKAB Clc1ccc(C2=CN(c3ccccc3)C(c3ccccc3)=NS2)cc1 12618583 RBZBVIWBGHRRTC-UHFFFAOYSA-N 362.885 6.254 0 40 FKAB Clc1ccc(COc2ccc(CNCCc3ccccc3)cc2)cc1 16479352 KKFGKMFEAMWYJU-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Oc1ccccc1 20044314 VWWXMADHFHOVDZ-OAQYLSRUSA-N 361.441 5.583 0 40 FKAB COc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccc(C)cc1 20367353 GALIMZCDBGWUPZ-UHFFFAOYSA-N 373.924 5.658 0 40 FKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Sc2ccccc2)c2ccccc2)cc1 20488109 LHBKXHQJSCTAFN-AVRDEDQJSA-N 361.510 5.381 0 40 FKAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 20633026 XQFUSIMJEMZTKN-MRXNPFEDSA-N 350.849 5.055 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3nc4c(s3)CCCC4)sc2c1 20894580 GYKAUQVAGNDTNW-UHFFFAOYSA-N 362.907 5.451 0 40 FKAB Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 27583973 IKFNLIZJLAVCND-XMMPIXPASA-N 372.512 5.105 0 40 FKAB CCCCC1CCC(C(=O)NCCc2csc(-c3ccccc3)n2)CC1 27993848 NGEHUPRAJASQLW-UHFFFAOYSA-N 370.562 5.465 0 40 FKAB CC(=O)OC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 34096501 IYRUIMPGYISENA-KHXQEATISA-N 374.521 5.018 0 40 FKAB COc1ccccc1Nc1c(-c2ccc(C)cc2OC)nc2ccc(C)cn12 35622377 XNWXJYRBKPQPAD-UHFFFAOYSA-N 373.456 5.379 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1cccc2cnccc12 43160976 SCKUJBOEUOSIDR-CYBMUJFWSA-N 362.458 5.069 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CCC 72215039 DJIQMLUQBKQOPW-SFHVURJKSA-N 361.530 5.170 0 40 FKAB Fc1ccc2c(c1)[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)CCS2 90805901 XXTCEMCTMCPVFN-BEVDRBHNSA-N 357.494 5.120 0 40 FKAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=N[C@@H]2c2ccccc2)CCC1 102661761 OHOSKCJWMSYNHI-LJQANCHMSA-N 374.469 5.256 0 40 FKAB Cc1nc(CSc2nc(C)c(C)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)oc1C 107339243 DMSFXQNNEHBCHE-LAVFITLUSA-N 359.539 5.394 0 40 FKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C(C)C)c3C)N21 222693052 MARZADRDSJRWAX-PWIZWCRZSA-N 368.550 5.060 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12 222872998 NRBZNMLKBCCBFX-HSZRJFAPSA-N 369.464 5.467 0 40 FKAB CC(C)OC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225484836 JUYCAVFAOGPOHZ-UHFFFAOYSA-N 374.484 5.041 0 40 FKAB Cc1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225605543 CESRDBNRKSACBS-UHFFFAOYSA-N 364.967 5.258 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3cccc(Cl)c3)CCCC2)cc1 225844576 MUEKRUSTMATHKG-UHFFFAOYSA-N 374.937 5.495 0 40 FKAB CCc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225850264 UJUSUEHJIIAZLQ-UHFFFAOYSA-N 358.938 5.658 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)c1 225932510 LPCHLCQSLCHXEZ-UHFFFAOYSA-N 357.881 5.498 0 40 FKAB COc1c(Cl)cc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Cl 226246956 ZQLQWRBBWVLNCK-UHFFFAOYSA-N 359.212 5.601 0 40 FKAB O=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl 230107092 CGUASMJNIPXHJW-LNMJFAINSA-N 360.284 5.364 0 40 FKAB COC(=O)c1ccc2c(c1)[C@@H]1O[C@H](C)CC[C@H]1[C@](C)(CCC=C(C)C)O2 257219815 DIGLGNGYCPPMLZ-WOIRZILMSA-N 358.478 5.227 0 40 FKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)cc1Cl 390826690 OPJNZNMHLQWAGY-HNNXBMFYSA-N 351.855 5.122 0 40 FKAB CC(C)CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409111467 CKFCOQWSVWXYQF-ALQCLRNSSA-N 374.528 5.369 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccccc2F)c(Cl)c1 409111515 JEHIICXRAWMWED-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(C)c3)ccc21 585105854 UIYNFEVIRKDVAZ-GOSISDBHSA-N 363.501 5.103 0 40 FKAB CCOc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1 868972 VTKFBDNSYHHYNR-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB Cc1cc(C)c(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)c(C)c1 999148 IRULKRVNDAVTRG-UHFFFAOYSA-N 359.897 5.715 0 40 FKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)[nH]c2ccccc2c1=O 1531916 JHMLNOXMSHURLQ-YEFHWUCQSA-N 363.545 6.798 0 40 FKAB in-vitro CC(C)Oc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 1875578 XLLPSKKWGOIHEW-UHFFFAOYSA-N 372.424 5.582 0 40 FKAB CCCCOC(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 2060470 IKZSHWIBZUUJBB-UHFFFAOYSA-N 361.441 5.153 0 40 FKAB Cc1sc2ncnc(SC(c3ccccc3)c3ccccc3)c2c1C 2087647 XOXZHHWBXGMNCZ-UHFFFAOYSA-N 362.523 6.190 0 40 FKAB CCC[C@@H]1C[C@H](c2nc(-c3ccc(Br)cc3)cs2)CCO1 2239688 LKRYDJIMQIOOJR-UKRRQHHQSA-N 366.324 5.635 0 40 FKAB O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 2811395 KEPUJXZNJIBABY-BUHFOSPRSA-N 356.450 5.615 0 40 FKAB COc1cccc(C2=C[C@H](c3ccccc3C)n3c(nc4ccccc43)N2)c1 2917797 WZWWJSKVUCFIBK-HSZRJFAPSA-N 367.452 5.409 0 40 FKAB Cc1ccccc1-n1c(=S)[nH]c2sc(-c3ccccc3)cc2c1=O 3266658 YMTRYKBJEQDGIV-UHFFFAOYSA-N 350.468 5.085 0 40 FKAB Cc1cc(C)cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 3333189 WBUVXOYLLUSSJH-UHFFFAOYSA-N 371.436 5.881 0 40 FKAB aggregator CC(=O)Oc1ccccc1C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C 3342499 VOOLFDLUQIVTDH-UHFFFAOYSA-N 360.409 5.115 0 40 FKAB Cc1ccc(-c2nn(-c3ccccc3)c3nc(C)cc(C(F)(F)F)c23)cc1 3651653 BQVQWUXAJWJGQL-UHFFFAOYSA-N 367.374 5.723 0 40 FKAB Cc1cc(C)c2[nH]c(=O)cc(CSc3cc(C)c4ccccc4n3)c2c1 4128077 LKBHOYXXRIQYLS-UHFFFAOYSA-N 360.482 5.294 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)s1 4194725 SESFXOCDUAVFRO-UHFFFAOYSA-N 370.886 5.931 0 40 FKAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2-c2nc3ccccc3[nH]2)cc1 4565584 BRNGCLVEPIWJJE-VHXPQNKSSA-N 367.408 5.223 0 40 FKAB C[C@@H]1C(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 4652813 YOCSCRSTBWZYLM-JCTBDJSQSA-N 350.289 5.012 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 4690844 FMLYCWYUQNTRHV-UHFFFAOYSA-N 364.444 6.282 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2cnccn12 4733469 UKUZUHDBZAUNRD-UHFFFAOYSA-N 374.513 5.733 0 40 FKAB Fc1cccc(Cl)c1CSc1ncnc2sc3c(c12)CCCC3 4976393 DYEABQOMPJVQAT-UHFFFAOYSA-N 364.898 5.655 0 40 FKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 5538105 PXBQUXLRTSQTFT-UHFFFAOYSA-N 374.065 5.708 0 40 FKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(Cl)cc1 5936474 MZJRJMYDOUSVON-UHFFFAOYSA-N 353.834 5.197 0 40 FKAB CCCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 6264448 XSGTWIXHDPUWSH-UHFFFAOYSA-N 353.249 5.816 0 40 FKAB OCCSc1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 6510635 HFHRAJDRBHSZTP-UHFFFAOYSA-N 370.524 5.171 0 40 FKAB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)Nc3ccccc32)c1C 6962065 VYSNINQHXWNFSZ-LDADJPATSA-N 362.860 5.549 0 40 FKAB Cc1ccc(CCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 8064209 FIPWPAAPNISFHY-UHFFFAOYSA-N 359.469 5.535 0 40 FKAB COCc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)oc2ccccc12 12595370 RBLAZZLQVQILGD-LJQANCHMSA-N 369.848 5.114 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCCC4 12970714 BWKQCWGIWUNTHF-MRXNPFEDSA-N 361.554 6.665 0 40 FKAB CC(C)c1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13677723 HQUQLOLDDOVMKM-UHFFFAOYSA-N 358.290 5.059 0 40 FKAB c1ccc(-c2nnc(-c3ccccc3-c3nnc(-c4ccccc4)o3)o2)cc1 16493662 PYRXTHWDCLZQFO-UHFFFAOYSA-N 366.380 5.121 0 40 FKAB CCOc1cc2ccccc2cc1C(=O)Nc1c(C)cc(C)cc1Cl 16961948 CRFJDVSOXBFYKJ-UHFFFAOYSA-N 353.849 5.761 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(C(C)(C)C)cs1 17346549 BFDLUCRRFPPZCV-UHFFFAOYSA-N 363.533 5.186 0 40 FKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2)cc1 20488111 LHBKXHQJSCTAFN-XMSQKQJNSA-N 361.510 5.381 0 40 FKAB Cc1ccc(-c2nn(Cc3ccc(F)cc3)c(-c3ccc(C)cc3)c2C)cc1 36611542 JLZFWICDTXXJLR-UHFFFAOYSA-N 370.471 6.330 0 40 FKAB Fc1ccccc1OCCN1CCCC[C@@H]1c1nc2ccccc2s1 71793213 HRRWAYQWNKXJQD-QGZVFWFLSA-N 356.466 5.041 0 40 FKAB CCc1cccc(C)c1NC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 83827667 VJHHQWNHWLRERW-AVRDEDQJSA-N 350.506 5.871 0 40 FKAB O=C(c1ccc(F)cc1)c1coc2ccc(OCc3ccc(F)cc3)cc12 96184253 XYQUZVVJGVJXDZ-UHFFFAOYSA-N 364.347 5.521 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1F)C(c1ccccc1)c1ccccc1 98073302 MAYAHZHVKMQRAH-UHFFFAOYSA-N 373.349 5.615 0 40 FKAB OC1=C2C(=Nc3ncnn3[C@H]2/C=C/c2ccccc2)C[C@H](c2ccccc2)C1 102682361 PBEWGUDXKHEQPV-FKRMPVFOSA-N 368.440 5.008 0 40 FKAB Brc1ccccc1-c1nc2cc(CN3CCCCC3)ccc2o1 216827044 PFTBPKBJUXBRAH-UHFFFAOYSA-N 371.278 5.243 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc3ccccc3nc2s1 223129576 QYGFCCWMQPNMGV-UHFFFAOYSA-N 373.264 6.009 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C 223399782 WOSYJMHFZUISEM-MRXNPFEDSA-N 361.938 5.625 0 40 FKAB O=C(CCc1ccc(F)cc1)Nc1ccc(CSc2ccccc2)cc1 223472785 KZHKXQUGAWSRRU-UHFFFAOYSA-N 365.473 5.689 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(C)C 223781546 AUQNYKHAGGTPNT-QFIPXVFZSA-N 351.490 5.485 0 40 FKAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1C 225464995 DNQVSLQFGFKBIH-QHCPKHFHSA-N 359.469 5.140 0 40 FKAB CC(C)Oc1cccc(NC(=S)NCCCSCc2ccccc2)c1 225598793 KYKJCAPEVBXFNU-UHFFFAOYSA-N 374.575 5.084 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225696857 FKXHYWJGTXAAFN-UHFFFAOYSA-N 363.542 5.588 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1 225705117 CQXWRXZSEZMUBN-JOCHJYFZSA-N 363.542 5.796 0 40 FKAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Cl)cc1 408561103 GOORWFWIDHVLJZ-XDOYNYLZSA-N 370.905 5.193 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C 409118443 ZYTSGDZJUIOXPE-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1ccc(Nc2nc(NCC(C)C)nc(Nc3ccc(C)cc3)n2)cc1 682876 HHZFCLWRSFHVSO-UHFFFAOYSA-N 362.481 5.044 0 40 FKAB CCCc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 819844 JIFQODSLHQMZMX-UHFFFAOYSA-N 357.866 5.063 0 40 FKAB COc1cc(-c2nnc(-c3cccc(C)c3)o2)ccc1OCc1ccccc1 892007 YHYWPAWGOAJFRG-UHFFFAOYSA-N 372.424 5.300 0 40 FKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C)c(C)c1 949011 ZFZTXUAYWMZHMX-UHFFFAOYSA-N 364.445 5.171 0 40 FKAB CCNc1nc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 1396727 NHNXQSZGTZWFIW-UHFFFAOYSA-N 352.143 5.026 0 40 FKAB Cc1cc(OCCCC(=O)Nc2ccc(C(C)C)cc2)cc(C)c1Cl 1787133 JAVXIIBLDDWQQU-UHFFFAOYSA-N 359.897 5.878 0 40 FKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)cc1 2255058 KAIVIMNRZJFAON-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB CCOc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 3325995 DMTUDTMPLILWAC-UHFFFAOYSA-N 364.392 5.971 0 40 FKAB O=C(c1cccc(Cl)c1Cl)N(Cc1ccco1)Cc1cccs1 3348723 WQZFSPDOVXHMRP-UHFFFAOYSA-N 366.269 5.491 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NCC[C@]4(C)[C@@H]3CC[C@@]21C 4023259 SAWPPQLIWVGNDH-NLMLADRBSA-N 359.642 6.670 0 40 FKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccccc1 4073482 IHCCCNHDBGOQON-QHCPKHFHSA-N 359.554 5.437 0 40 FKAB biogenic Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c2c1CC(C)(C)O2 4104973 XHAILJZWYROJOI-UHFFFAOYSA-N 364.367 5.371 0 40 FKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(C)(C)C)cc1 4135289 FLQZEINQUIOEBP-UHFFFAOYSA-N 365.429 5.159 0 40 FKAB Clc1ccc(-c2csc(Nc3nc(-c4ccccc4)cs3)n2)cc1 4147063 XFHWLROUXSFXCE-UHFFFAOYSA-N 369.902 6.331 0 40 FKAB Cc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1C 4524714 ZXNFLFPYTDYTDC-XDOYNYLZSA-N 372.921 5.102 0 40 FKAB Fc1ccc(CNc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1 4757695 CVTBOSRBWUVJBD-UHFFFAOYSA-N 365.305 5.053 0 40 FKAB COc1ccc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1 4869166 GFNDWJYDHNIPNP-UHFFFAOYSA-N 367.836 5.736 0 40 FKAB O=C(Nc1ccccc1)c1cc2sccc2n1Cc1ccc(F)cc1 4971309 QIZIWYKMZXOVLL-UHFFFAOYSA-N 350.418 5.143 0 40 FKAB Fc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)cc1 5514946 MPTSDMWTQADIKJ-OAQYLSRUSA-N 368.814 5.974 0 40 FKAB Cc1ccc(CN(c2c(C)cccc2C)S(=O)(=O)c2ccccc2)cc1 6426663 SDDPTHGQNOVWSK-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Fc1ccc([C@@H](CCNCc2ccccn2)c2ccc(Cl)cc2)cc1 6669928 VJAJIMJRYVDRPO-NRFANRHFSA-N 354.856 5.186 0 40 FKAB CCN(C(=O)Nc1ccc(C)c(C)c1)c1nc(-c2ccc(C)cc2)cs1 6826697 GYUKGNUAWLVBSP-UHFFFAOYSA-N 365.502 5.794 0 40 FKAB Cc1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2F)n1 9133982 SIUQOEGISQBKRB-GOSISDBHSA-N 355.413 5.085 0 40 FKAB CC(C)(C)c1cc(C(=S)NCc2ccccc2)cc(C(C)(C)C)c1O 9188076 KRZDCDYIHKPDAZ-UHFFFAOYSA-N 355.547 5.453 0 40 FKAB Fc1ccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc1 13266068 WAMLUBZVAGQLBB-UHFFFAOYSA-N 368.462 5.080 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(F)cc1 18101885 QDCCSFFSJBTWAD-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)/C(=C/c1ccco1)c1ccccc1 20456774 IDUDGWOWDYRXPV-XSFVSMFZSA-N 351.833 5.132 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccccc1 20630525 VHQNOJYIASWSCZ-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 21116753 XOPRSLMWLHRBRR-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB CCN(Cc1cccs1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 32808784 PVXJBOYDYCDUIY-UHFFFAOYSA-N 362.907 5.187 0 40 FKAB C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 32891609 YUIVYKSHEMQCME-LLVKDONJSA-N 364.301 5.363 0 40 FKAB Cc1c(Cc2ccccc2)sc2[nH]c(=S)n(-c3ccccc3)c(=O)c12 34751752 SXWPHWZHISZCJZ-UHFFFAOYSA-N 364.495 5.009 0 40 FKAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 40033611 VXZMZVKFDJCSNL-UHFFFAOYSA-N 365.820 5.047 0 40 FKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1Br 44781690 TXSDUGJPGSQGCK-UHFFFAOYSA-N 365.230 5.336 0 40 FKAB CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C 44856713 LIBHIQSOLWLAOM-QHCPKHFHSA-N 364.533 5.170 0 40 FKAB CCCCN1COc2c(c3c(C(=O)OCC)c(C)oc3c3ccccc23)C1 54105728 BFSXYBGOWVPGAE-UHFFFAOYSA-N 367.445 5.023 0 40 FKAB Cc1ccc(N)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 57340178 CUEUEHMIPDLPDC-UHFFFAOYSA-N 351.258 5.351 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl 58839945 WDZAMTNWBLPZHH-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1NC(=O)C(F)(F)F 100846042 LCBKQVBEBWMNFK-LGBHXNNWSA-N 371.830 5.325 0 40 FKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219323517 ZFSHBCNVMBGZRA-FQEVSTJZSA-N 373.880 5.458 0 40 FKAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C 223775014 WBUHXEYHYZNAAE-VWLOTQADSA-N 373.496 5.150 0 40 FKAB CCCOc1ccccc1CCCNC(=O)C1(c2ccccc2)CCCC1 223831032 CJTGULKYGOAFCM-UHFFFAOYSA-N 365.517 5.036 0 40 FKAB CC(C)(C)c1ccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225082604 HFVJQPVWDFDSMS-INIZCTEOSA-N 367.272 5.366 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 225369097 HVFLEBXRKRTDRO-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB Cc1cc(C)cc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)c1 1015463 CDVAGFPZHTTWHM-WLXPTCNVSA-N 353.465 5.539 0 40 FKAB Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N2C[C@@H](C)C[C@H](C)C2)c1C 1340836 GWEPPLDEGBEBBB-KBPBESRZSA-N 368.912 5.149 0 40 FKAB Cc1cc(C(F)(F)Cl)n2nc(-c3ccc(Cl)c(Cl)c3)cc2n1 1396024 QMAAGOFTRUCKAZ-UHFFFAOYSA-N 362.594 5.300 0 40 FKAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 1437102 SSAINJXCHGOCHE-CQSZACIVSA-N 355.261 5.137 0 40 FKAB COc1ccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)cc1 1452868 UNGADPYDPADQMY-JXMROGBWSA-N 370.452 5.337 0 40 FKAB Clc1ccc(OCCn2c(Cc3ccccc3)nc3ccccc32)cc1 1473068 LOLRCMIHTODCGE-UHFFFAOYSA-N 362.860 5.360 0 40 FKAB CC(C)c1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 2500070 FYIRHTIKLKAZCH-MOPGFXCFSA-N 352.869 5.201 0 40 FKAB CC(C)Cn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc21 2618566 OOBCEHXCOOTFSU-UHFFFAOYSA-N 373.909 5.077 0 40 FKAB CCn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 3349081 IEWFHSAVCYDCFH-UHFFFAOYSA-N 359.498 5.334 0 40 FKAB c1ccc(Sc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 3668216 LPSCWCRSZCIVQK-UHFFFAOYSA-N 354.434 6.194 0 40 FKAB Cc1ccc([C@H](Nc2ccc(O)cc2)P2(=O)OCC(C)(C)CO2)cc1 4013206 FLNVXGCXCSJJHU-GOSISDBHSA-N 361.378 5.077 0 40 FKAB CCC(=O)N(CC[C@]1(C(C)C)CCO[C@](C)(CC)C1)Cc1ccccc1 4073188 KGQNTWJYGRFRTB-PKTZIBPZSA-N 359.554 5.437 0 40 FKAB biogenic Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Cl)c(Cl)c1 4719197 IDYUMXXXRVDSFP-UHFFFAOYSA-N 372.679 5.753 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 5191534 FNZPKUHVCUVENC-UHFFFAOYSA-N 366.920 5.256 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc2ccccc2o1 5724387 ZUNWVHXYCOAORL-UHFFFAOYSA-N 370.817 5.377 0 40 FKAB CCc1cc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2cc1O 5791348 ZTOVMYBLBUFYJJ-UHFFFAOYSA-N 368.738 5.400 0 40 FKAB biogenic COc1ccc2oc(C(=O)Nc3ccccc3-c3ccccc3)c(C)c2c1 7265338 SJAYBGZNTAOFLC-UHFFFAOYSA-N 357.409 5.669 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CC1 7346267 ZAHKJPSDYSNTOP-UHFFFAOYSA-N 355.481 5.057 0 40 FKAB CN(Cc1ccc(F)cc1)c1ncnc2cc(-c3ccc(F)cc3)sc12 8074320 WKXKPPMGZAOJQU-UHFFFAOYSA-N 367.424 5.273 0 40 FKAB COc1cccc(CNCc2ccccc2)c1OCc1ccccc1Cl 8495618 NIIDRQQHPNMBOG-UHFFFAOYSA-N 367.876 5.217 0 40 FKAB Clc1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1Cl 12177834 MRTVPZXIOYTFCL-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB COc1ccc(-c2c/c(=N\c3ccc(O)cc3)c3ccccc3o2)cc1OC 12201669 PNSQVMQZMGNPJD-LYBHJNIJSA-N 373.408 5.055 0 40 FKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 12660857 OELWZKMKQBIZFT-UHFFFAOYSA-N 372.493 5.254 0 40 FKAB c1ccc(-c2n[nH]c(-c3ccccc3)c2Cc2nc3ccccc3s2)cc1 12769616 BFMDRFXCWXBTMI-UHFFFAOYSA-N 367.477 5.944 0 40 FKAB Cc1cccc2c1N(C(=O)c1sc3ccccc3c1Cl)[C@H](C)C[C@H]2C 15082406 LMWDHWWJWROSRM-ZIAGYGMSSA-N 369.917 6.406 0 40 FKAB Cc1cccc(OCCS[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 15492322 NMWDYUWKFJMSOV-HNNXBMFYSA-N 363.910 5.096 0 40 FKAB Cc1ccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c(Cl)c1 25950830 YBRJGZLZOMNIEG-UHFFFAOYSA-N 364.898 5.255 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3onc4c3C[C@H](C)CC4)sc2c1 27794913 DPOLVGLCIRFXCS-SECBINFHSA-N 360.866 5.228 0 40 FKAB C[C@H]1C[C@@H](C)CN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1 28632078 LSGLXOBUBXDHFI-QTBVYMFASA-N 354.582 5.155 0 40 FKAB C[C@@H]1c2ccsc2CCN1C(=O)CC(c1ccccc1)c1ccccc1 32781405 HFPCXPPSGGJHRZ-QGZVFWFLSA-N 361.510 5.416 0 40 FKAB Clc1ccccc1-c1csc(Nc2cccc(Cl)c2Cl)n1 67321763 POVWEDGUMPCZJJ-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB c1ccc(COc2ncccc2[C@@H]2CCCCN2Cc2ccccc2)cc1 72212106 HVZCMDBSUNHBTP-QHCPKHFHSA-N 358.485 5.388 0 40 FKAB CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215757 BUVMTCBAXYHGOY-LJQANCHMSA-N 373.541 5.313 0 40 FKAB Cc1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1 72229042 GDUKOAUEDROOPN-UHFFFAOYSA-N 357.885 5.228 0 40 FKAB C(/C=C\c1ccc(-c2ccccc2)cc1)=C/c1ccc(-c2ccccc2)cc1 104356252 FNGCNIQEQUNTCR-XOHWUJONSA-N 358.484 7.747 0 40 FKAB CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 106978683 JWLCQXGDBPPHDP-UHFFFAOYSA-N 358.638 5.252 0 40 FKAB CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915112 GDNCPMQDMBBSRP-LBTQSFOASA-N 374.521 5.018 0 40 FKAB Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 216571233 CLWUJASPDFEASB-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1C 219031819 GMJVAQBVTCHZHG-WZONZLPQSA-N 361.485 5.491 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1SC(C)C 219657281 GMEURKLYXYTGIZ-GOSISDBHSA-N 369.530 5.528 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223495215 UQIDYCXRYJKGGH-LJQANCHMSA-N 353.506 5.300 0 40 FKAB CCCCCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224282246 LTMAGUQGCGKQRZ-UHFFFAOYSA-N 369.505 5.119 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1C 224556243 CSRTUCXOCGACNL-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1Cl 225369163 LUFRPIFQLRWKLY-UHFFFAOYSA-N 358.652 5.227 0 40 FKAB CC(C)c1ccc(NC(=S)NCCSCc2ccccc2F)cc1 225411830 LYZHSQGSGAGWNB-UHFFFAOYSA-N 362.539 5.169 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225548805 LCCTYGHMMYKPAX-UHFFFAOYSA-N 355.453 5.373 0 40 FKAB CCOc1ccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225621383 WWLKETQUQVDSPI-UHFFFAOYSA-N 356.535 5.128 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1 225931598 PGICLGCSYZTMSX-UHFFFAOYSA-N 371.480 5.149 0 40 FKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 408626381 GWWVIJPTZHLWRA-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C1CCCCC1 575359201 UWGRAQOHZUEJGZ-UHFFFAOYSA-N 355.481 6.919 0 40 FKAB CC(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc(Br)c1 646724 LVHDMTIVFYFVJJ-UHFFFAOYSA-N 374.156 5.219 0 40 FKAB COc1cccc2c1N(C(=O)C1CC1)C(C)(C)c1ssc(=S)c1-2 852633 TXNVYSMFKLQNAQ-UHFFFAOYSA-N 363.529 5.206 0 40 FKAB Cc1cccc(N[C@@H](c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)n1 941418 JZBLQUIOBAZQEG-QFIPXVFZSA-N 361.876 6.035 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1c(C)cccc1C 1312003 FJHRKQHYKNEBDO-BQYQJAHWSA-N 350.245 5.271 0 40 FKAB O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccccc21 2270419 VQOSSKMEHHIJAG-UHFFFAOYSA-N 372.276 6.437 0 40 FKAB CCCCOCCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 2410577 BZIYHSZEDUYPGI-UHFFFAOYSA-N 374.488 5.162 0 40 FKAB Cc1cccc2cc3c(NC(=O)C4CCCCC4)nn(CC(C)C)c3nc12 2452827 QDQWFPRNIYMGOE-UHFFFAOYSA-N 364.493 5.068 0 40 FKAB Clc1ccc(-c2nnsc2Sc2ccccc2Cl)c(Cl)c1 3118879 YOTWFKUQYGVSNA-UHFFFAOYSA-N 373.717 6.317 0 40 FKAB Cc1cc(OCc2ccccc2F)c2c(-c3ccccc3)cc(=O)oc2c1 3214473 TYAMRSRYDXRBIT-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB O=c1oc2ccc(Br)cc2cc1-c1ccc(Cl)c(Cl)c1 3255815 WGIPOKGQQUOIHX-UHFFFAOYSA-N 370.029 5.529 0 40 FKAB Cc1cc(C)c(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c(C)c1 4033407 QJTZANNIECTGDN-GOSISDBHSA-N 361.489 5.063 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 4200615 VPPUTXNVTJWMCL-UHFFFAOYSA-N 374.893 5.771 0 40 FKAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1Br 4616103 XARQYGBHRNYDRK-IZZDOVSWSA-N 358.279 5.533 0 40 FKAB Cc1cc(OS(=O)(=O)c2ccc3ccccc3c2)c(C(C)C)cc1Cl 4666284 DWKRSUHNQKRSNW-UHFFFAOYSA-N 374.889 5.693 0 40 FKAB CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCOC(=O)Nc1ccccc1 4673307 XEMYEKIWQRPWRD-PJIZGREPSA-N 373.537 5.619 0 40 FKAB CCCCOC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4804991 ITIVLALQRMRQHG-CKOZHMEPSA-N 358.566 6.011 0 40 FKAB CC(=O)O[C@@]1(C)C(=C(Cl)Cl)C2c3ccccc3C1c1ccccc12 5048798 DNQJDTRWFGGUIA-LBXVMSDZSA-N 359.252 5.288 0 40 FKAB Cc1c(OCc2cccc3ccccc23)ccc2c3c(c(=O)oc12)CCC3 5235490 JKXNSVAVJYXDNC-UHFFFAOYSA-N 356.421 5.322 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 6287429 LZPJCGNZKPMIFC-UHFFFAOYSA-N 359.469 5.803 0 40 FKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1 6664471 RTTZAQOYYBUHHM-AVRWGWEMSA-N 371.480 5.385 0 40 FKAB COc1ccccc1-n1cc(-c2ccc(Cl)cc2Cl)[nH]c1=S 6713898 ZNXRBCYTTHPVFB-UHFFFAOYSA-N 351.258 5.517 0 40 FKAB CCOc1cccc(CNCc2ccc(F)cc2)c1OCc1ccccc1 7539432 LRUIPGACXKZIKE-UHFFFAOYSA-N 365.448 5.093 0 40 FKAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)cc2)S1 15084706 KVUVEJFJIPKUEZ-SFHVURJKSA-N 355.413 5.345 0 40 FKAB Cc1cc2oc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c(C)c2cc1C 15833218 YCGGAGCGPARHIB-SNVBAGLBSA-N 354.475 5.192 0 40 FKAB Clc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1Cl 17123410 KPCUVDDRLJHNKP-UHFFFAOYSA-N 367.239 5.742 0 40 FKAB CC(C)OCc1ccccc1CNC(=O)c1sc2ccccc2c1Cl 30369054 BELVNEHGFHRSPA-UHFFFAOYSA-N 373.905 5.410 0 40 FKAB CCCOc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 35018422 JWXGMVAONLRXOS-UHFFFAOYSA-N 372.665 5.643 0 40 FKAB CCC(C)(C)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770992 BBWOGFZPNUMNFI-OAHLLOKOSA-N 354.332 5.048 0 40 FKAB Cc1ccccc1NC(=O)c1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 95117552 HEGLVKFAIVQUEN-UHFFFAOYSA-N 374.509 5.851 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccc(C)c(C)c1 219321849 NTOPGRRFRHCTRQ-RBUKOAKNSA-N 359.897 5.382 0 40 FKAB C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223154360 NYPJMGUWPLBFRS-CQSZACIVSA-N 359.922 5.188 0 40 FKAB CCCc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 223385280 YUKAJZLZOOHLPJ-LFIBNONCSA-N 365.517 5.145 0 40 FKAB COCc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 223394047 CKAIPTMMQNHPFF-UHFFFAOYSA-N 363.482 5.378 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)Cc1ccccc1 224901786 JZZFPXZDJDGHPY-QFIPXVFZSA-N 361.485 5.135 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(C)cc2Cl)c2ccccc2O1 225007738 CXIZPMCTYLRXKD-GOSISDBHSA-N 357.881 5.461 0 40 FKAB CCCCc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225329000 GQIZZOQIYNTEFD-UHFFFAOYSA-N 350.289 5.907 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1 225679585 IQCXNOUPRZGRBY-XZOQPEGZSA-N 365.517 5.299 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(C)c2)c2ccccc2)c(C)c1 225767024 FTBCVKCQMBWWSJ-HSZRJFAPSA-N 374.553 5.996 0 40 FKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ccccc12 225828031 DISFCTGLTFCVIP-HSZRJFAPSA-N 371.521 5.943 0 40 FKAB CCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 226759221 INNSJJVZVZYKBN-HSZRJFAPSA-N 359.469 5.684 0 40 FKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)C(F)(F)F 299888593 PLWROONZUDKYKG-LIJGZOPESA-N 356.472 7.264 0 40 FKAB CCCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 408764025 REELKMWZUIJFOT-PGMHBOJBSA-N 363.457 5.299 0 40 FKAB COc1cc2c3c(c1)/C(=C\c1ccc(Cl)cc1)C(=O)N3C(C)(C)C=C2C 1740816751 TVDJRMHBCLHPQS-DJKKODMXSA-N 365.860 5.431 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl 682304 JJAXWUUATXJIEF-UHFFFAOYSA-N 370.279 6.154 0 40 FKAB Cc1cccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)c1 843513 CSNAGXFNFYSXCD-LYBHJNIJSA-N 355.393 5.369 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)c(C)c1 1268485 UAFATNVCVNOYKW-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB C[C@H]1CCC[C@@H](C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)C1=O 1709021 BDKKAZPMAWNHHE-YJBOKZPZSA-N 356.469 5.786 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccccc1)c1ccccc1 1753309 GCAHVGSBQRSPOW-UHFFFAOYSA-N 370.374 5.944 0 40 FKAB Cc1c(OCc2ccccc2F)ccc2c(-c3ccccc3)cc(=O)oc12 1904286 OLEJNNFJBZANTR-UHFFFAOYSA-N 360.384 5.487 0 40 FKAB c1ccc(CCN[C@H]2CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1 2269427 UOXHIMPHQIDOBD-VWLOTQADSA-N 372.556 6.425 0 40 FKAB CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1 4114613 JTLYOZMTJNJLFF-UHFFFAOYSA-N 371.839 5.300 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1nc2ccccc2s1 4134697 GKFKRXWDIAAGOB-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2Cc1ccccc1 4548297 FUQSSTGITAORPV-UHFFFAOYSA-N 369.580 6.770 0 40 FKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccncc3)n2)cc1 4722749 SXDBCVKIKRLIND-UHFFFAOYSA-N 373.843 5.535 0 40 FKAB Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 5485245 KWZITGFDRCTTQD-XLIONFOSSA-N 360.457 5.489 0 40 FKAB Clc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 6225061 UZLPBNJHNJJQCV-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3c(-c4ccccc4)noc3C)sc2c1 6627046 XBBZDBADNDBPQO-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB O=C(Nc1ncccc1OCc1ccccc1)C1(c2ccccc2)CCCC1 6756969 ZTKRPTMOWCNMTQ-UHFFFAOYSA-N 372.468 5.111 0 40 FKAB CC(=O)c1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 12807436 FWSZGLGCYKYHQM-OAQYLSRUSA-N 361.466 5.361 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C2CC2)nc2ccccc12 14092896 ZWHNIYNEVFNXLS-UHFFFAOYSA-N 350.849 5.038 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 14268895 BLSQSRBWQIQFSE-CYBMUJFWSA-N 363.288 5.625 0 40 FKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Cl)cc1Cl 14495534 LVJVZPCQZAGZSZ-UHFFFAOYSA-N 359.256 5.340 0 40 FKAB O=C1CCCc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1ccccc1 20671883 IRJZODRAILKOGO-UHFFFAOYSA-N 372.255 5.442 0 40 FKAB C[C@H](c1cccs1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 32842053 JWPUOSQKHRGEMX-LLVKDONJSA-N 362.907 5.358 0 40 FKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 36617356 FEHUBUMQBBZENR-UHFFFAOYSA-N 361.401 5.167 0 40 FKAB CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087374 LVCJTJYWOIOFLG-UHFFFAOYSA-N 369.704 6.221 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44849498 MLIRQGPHDRVYBY-UHFFFAOYSA-N 370.496 5.625 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(Cl)c1 71760904 MDBKEUSQKADAOS-UHFFFAOYSA-N 360.788 5.356 0 40 FKAB C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(SCc3cccnc3)cc2)C1 76021991 NQQYRHYGXFMTSS-IAGOWNOFSA-N 354.519 5.025 0 40 FKAB C[C@H](c1cccc2ccccc12)N(O)CCCc1cccc(C(F)(F)F)c1 77285917 NNDFTKSSGCGZLY-MRXNPFEDSA-N 373.418 6.244 0 40 FKAB in-vitro O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(NC(=O)Nc2ccccc2)c1 104817690 XMNUNOHLFOCROI-ULQDDVLXSA-N 363.461 5.095 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 216247440 YKDFIZFRWDWKDH-SFHVURJKSA-N 361.938 5.974 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 216495276 HSPBRRKQABNJOF-IBGZPJMESA-N 365.517 5.059 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)c1ccccc1 219312480 JTXJVCMDUOJXAU-OAQYLSRUSA-N 373.452 5.022 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223247315 BSMJZGUEGQENFN-QVKFZJNVSA-N 371.908 5.172 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223248994 JNSOWRYUZLWMTL-MSOLQXFVSA-N 365.517 5.252 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223249055 JNSOWRYUZLWMTL-QZTJIDSGSA-N 365.517 5.252 0 40 FKAB CC(C)c1ccccc1OCCNC(=O)CCc1cccc2ccccc12 223827224 XOKIIKZBQYHWNB-UHFFFAOYSA-N 361.485 5.091 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1Cl 224126032 LSGBYWDFGDTIIS-HNNXBMFYSA-N 359.897 5.225 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224619780 KUARFTPSZWTKLY-HXUWFJFHSA-N 359.425 5.691 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224855150 AGVPGPXUGYDCCR-UHFFFAOYSA-N 369.408 5.074 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224925065 ZYLASYJZBPJFSS-LJQANCHMSA-N 374.937 5.450 0 40 FKAB CCc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cc1 225503855 XFDGURPIIQBYPY-JOCHJYFZSA-N 360.526 5.633 0 40 FKAB CCSc1ccccc1C(=O)N1CCc2cc(-c3ccncc3)ccc21 225638425 STURWOLQXWVWHL-UHFFFAOYSA-N 360.482 5.064 0 40 FKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1 225766838 MNDUSQKCIWOCSA-QFIPXVFZSA-N 360.526 5.688 0 40 FKAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3c4ccccc4CC[C@@H]3O[C@H]21 257251384 JQNJRKMSXUTFRZ-XODKDNOYSA-N 350.458 5.042 0 40 FKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 408733190 FVMHFAPEBIYZFV-MHECFPHRSA-N 370.496 6.280 0 40 FKAB COc1cc2c(cc1NC(=O)c1ccc(-c3ccccc3)cc1)CCCC2 408925427 KURKNFXNVAKRJX-UHFFFAOYSA-N 357.453 5.493 0 40 FKAB CCN1C(=O)/C(=C\c2ccccc2OCc2cccc(C)c2)c2ccccc21 409122035 WSYPEJNRRHJVIH-JWGURIENSA-N 369.464 5.481 0 40 FKAB CCCC[C@@H](CC)C(=O)c1ccc(Br)c(C(F)(F)F)c1 575362589 BNCMFZZGHWTCCG-SNVBAGLBSA-N 351.206 5.867 0 40 FKAB O=C(NCc1ccc(C2CC2)nc1)c1ccc(-c2cccc(Cl)c2)cc1 1565523877 ZMVXKZKQEKTANS-UHFFFAOYSA-N 362.860 5.209 0 40 FKAB CCc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 651949 PDSPPDWEUUTTKA-UHFFFAOYSA-N 350.270 6.023 0 40 FKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 689111 UQFRYNKMBJROLN-CYBMUJFWSA-N 370.905 6.229 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccco4)c3)oc2c1 843714 JHQBFBPNVMEGDU-CSKARUKUSA-N 358.397 5.357 0 40 FKAB CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc12 1179072 GMPDEGXYTHPDRC-LJQANCHMSA-N 362.454 5.490 0 40 FKAB O=C(Nc1ccc(Br)cc1-c1ccccc1)c1ccccc1 1682307 OLWIHTQPXRCRFK-UHFFFAOYSA-N 352.231 5.368 0 40 FKAB CCCCOc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 2062622 SAXRFZNFBHRWGY-UHFFFAOYSA-N 354.475 5.344 0 40 FKAB Cc1cc(Cl)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12 2357892 IYESUYNRYYTSOM-UHFFFAOYSA-N 362.816 5.757 0 40 FKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 2656699 AGBITJDGFDEEDD-UHFFFAOYSA-N 362.376 5.010 0 40 FKAB CC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 4329244 ZYHRSVHOFRHLHA-UHFFFAOYSA-N 357.523 5.039 0 40 FKAB Clc1ccccc1COc1ccccc1CNC1CCCCCCC1 7522077 RFZXJLFGJZKXHT-UHFFFAOYSA-N 357.925 6.122 0 40 FKAB Clc1cccc(-c2nnc(SCc3cccc4cccnc34)o2)c1 11536686 MAVFLGDLEGNAHY-UHFFFAOYSA-N 353.834 5.231 0 40 FKAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13669317 LDERNOYRQVKBFS-SFHVURJKSA-N 353.506 5.329 0 40 FKAB CCCC/N=c1\scc(-c2ccc(Br)cc2)n1CCCC 13843550 XVCZAJKRKGVUHX-ZPHPHTNESA-N 367.356 5.480 0 40 FKAB COc1ccc(C)cc1CSc1nc(-c2ccco2)nc2ccccc12 15545094 UCHVLVZCAAQJGM-UHFFFAOYSA-N 362.454 5.499 0 40 FKAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c(C)c1 17025973 BXNYMSIOVWIXHU-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB Cc1cccc(C)c1Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 18145958 FSCLDZHMBVWHAD-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(F)cc1 20486520 HYPGBULRLZHUGT-LLVKDONJSA-N 372.292 5.243 0 40 FKAB CC(C)C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 20493892 WAEIQFQGXOGJDD-OAQYLSRUSA-N 353.506 5.267 0 40 FKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccc(OC)cc2)cc1 27793581 CJZNBNPABACTBO-UHFFFAOYSA-N 351.471 5.166 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(Sc2ccc(C)cc2)o1 32593455 DSOQHWSZCKOKJA-UHFFFAOYSA-N 353.443 5.390 0 40 FKAB N=C(N)c1ccc2c(c1)N[C@H](c1cccc(Cl)c1)[C@H]1Cc3ccccc3[C@@H]21 38445637 CIYKSLZWCNNELN-ILWGZMRPSA-N 373.887 5.095 0 40 FKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C1 38834150 OSNQOSQTLZZGFP-GOSISDBHSA-N 358.485 5.324 0 40 FKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=S)Nc1ccc(F)c(Cl)c1 40059543 UXAIIUOKMVUECP-NSHDSACASA-N 362.857 5.615 0 40 FKAB COc1ccc(CNc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 70461607 DLQZXYXTFNLIBS-UHFFFAOYSA-N 364.832 5.769 0 40 FKAB COc1cccc(CN(C)[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1 84061263 LNFYMIBGVGPSNJ-HNNXBMFYSA-N 370.880 5.505 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1cccc2[nH]ccc12 96115172 ONIXTIGUGCERCP-IBGZPJMESA-N 363.848 5.110 0 40 FKAB biogenic COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc(Cl)cc2)cc1 225306621 DQODOLHHTYGFJJ-HXUWFJFHSA-N 359.897 5.185 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)c1 225358879 PBAVANQOMJWUSY-CQSZACIVSA-N 350.289 5.420 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225516865 VWTWDBRXGZPVRE-UHFFFAOYSA-N 355.453 5.373 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525204 SZWBUXBTMXDHFJ-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1snnc1-c1ccccc1 225759715 VFDVDHAUAOCGBA-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1 226281139 KAVNKHZKDNJMRU-UHFFFAOYSA-N 362.351 5.143 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc3ccccc13)N2 247411486 PJSKYJZDYXRLSG-UJBQXCJOSA-N 369.464 5.835 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 842358 PVCAKKSMDYQQOY-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4)c3)oc2c1 868809 OHENDDCTMHBMNQ-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB Cc1cc(S(=O)c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 1085208 UYCYHQZXSNDUEK-UHFFFAOYSA-N 374.546 5.476 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N1c2ccccc2S[C@@H]1c1ccco1 1574663 TYSVHEMLFUGGNT-QGZVFWFLSA-N 356.834 5.776 0 40 FKAB S=c1cc(-c2ccccc2)n(CCCc2ccccc2)c2c1CCCC2 1889982 ZOBFNCNQFOFQLO-UHFFFAOYSA-N 359.538 6.396 0 40 FKAB Cc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3ccccc32)c1 2688460 XWSNAMOOQJZOKQ-UHFFFAOYSA-N 367.427 5.699 0 40 FKAB CCCCCC(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3153145 RDHIHKLTDUBUIN-CYBMUJFWSA-N 372.123 5.145 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CCCCC1 3443549 AJXKDMVUTLCKPR-SFHVURJKSA-N 363.288 5.159 0 40 FKAB CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C 4538447 RKELNIPLHQEBJO-UHFFFAOYSA-N 362.510 5.653 0 40 FKAB in-vitro CCc1ccc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc1 4678705 ZIQVKTRXGYWIQX-UHFFFAOYSA-N 370.294 5.024 0 40 FKAB O=C(Nc1cccc2ncccc12)c1cccc(OCc2ccccc2)c1 4703805 XXJHFPKPZWSMNZ-UHFFFAOYSA-N 354.409 5.066 0 40 FKAB CC(C)OCc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 7399348 GFBUZESMXPKZPX-UHFFFAOYSA-N 360.866 5.127 0 40 FKAB CC(C)Oc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 8569289 OVNNKGTZEHBBEI-UHFFFAOYSA-N 361.441 5.305 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2ccccc2F)[C@H]1c1ccccc1 9698435 NECDTDUEVBRQFS-OAQYLSRUSA-N 371.415 5.176 0 40 FKAB C[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2S1 12858828 MFFLLHCLEVRCHH-GFCCVEGCSA-N 367.392 5.116 0 40 FKAB C=Cc1nc(-c2ccc(C)o2)c(Nc2ccc(C(C)C)cc2)n1/C=C\CC 13839036 AUJHUFSCEAXZBM-NVNXTCNLSA-N 361.489 6.842 0 40 FKAB Cc1ccc(C(=O)[C@@H](Sc2nncn2C(C)C)c2ccc(C)cc2)cc1 14157544 IVZZKFHGRFKMAW-FQEVSTJZSA-N 365.502 5.192 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 14258084 GMGZCRXDUHSSGT-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB O=C(COc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 14258493 FZTLLBQUBOSKBB-UHFFFAOYSA-N 351.789 5.257 0 40 FKAB Cc1cccc(OCCS[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 15492321 NMWDYUWKFJMSOV-OAHLLOKOSA-N 363.910 5.096 0 40 FKAB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 16292986 LMKWPNSNCOAIQW-ZRDIBKRKSA-N 351.833 5.869 0 40 FKAB Cc1ccccc1OCc1nc2ccccc2n1C/C=C/c1ccccc1 16740591 CAKJZFMTSBIUGH-UKTHLTGXSA-N 354.453 5.637 0 40 FKAB CCC(C)(C)[C@@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C1 22459992 ZFOIXXZJKJJXAJ-QGZVFWFLSA-N 363.932 7.096 0 40 FKAB CCCOC(=O)C[C@@H](C(=O)OCCC)C(C)(C)/C=C(\C)C[C@H](C)CCC 38192177 AGNQUSDMKNHBPT-YJCNWBTDSA-N 368.558 5.698 0 40 FKAB COc1ccccc1N1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 39857531 DIJXENOQUDBSKK-UYRXBGFRSA-N 361.422 5.089 0 40 FKAB CC(C)Sc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 48523430 LAYFQFVOBFDWCN-UHFFFAOYSA-N 362.907 5.703 0 40 FKAB O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(F)cc3s2)cc1 59843090 ASQKZWUTQNKVMN-UHFFFAOYSA-N 354.450 5.165 0 40 FKAB Clc1ccc2nc(-c3ccc(I)cc3)sc2c1 73638923 ILDSUYFVYIRJSH-UHFFFAOYSA-N 371.630 5.221 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 78684937 DTGDZMYNKLTSKC-QTECUETRSA-N 370.665 8.418 0 40 FKAB biogenic CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 85430384 DYYQRBZMEFVULR-IFXJQAMLSA-N 350.437 5.436 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COCC(C)C 224736775 ZVLVKTPNSLMPHU-UHFFFAOYSA-N 361.869 5.164 0 40 FKAB CC(C)(C)c1ccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225093793 QTLBKCQMGPEQPZ-QGZVFWFLSA-N 366.379 5.078 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535073 AALQRQBBYAKPQL-UHFFFAOYSA-N 351.490 5.624 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225696566 RXOZUFGEQQHOSR-GOSISDBHSA-N 367.533 5.327 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc(Cl)ccc2o1 408602878 DBWODDGTPRKXFF-UHFFFAOYSA-N 363.800 6.131 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1cccs1 408912780 RKZUCRJIMXOTEY-GQCTYLIASA-N 372.342 5.118 0 40 FKAB Cc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)c(C)c1 409048617 SSWFJMFVRSLYGP-UHFFFAOYSA-N 363.313 6.786 0 40 FKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2cccc(F)c2)c1 409119853 TZOKGXDPQYEGHV-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1 1857793997 OZUWLGNPZCIQSW-UHFFFAOYSA-N 351.474 7.465 0 40 FKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2049238397 PDFYDMTVIFSSKW-BTMQSKKTSA-N 372.593 6.401 0 40 FKAB Cc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 828362 MUVUKLRYQJFDKC-PGRDOPGGSA-N 356.469 5.587 0 40 FKAB CCN(CC)C[C@@H](O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC 938373 JRSYMOFRAZNFNG-LJQANCHMSA-N 363.586 5.143 0 40 FKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 993507 BYHVBOKYMMJGHU-PELKAZGASA-N 353.076 5.523 0 40 FKAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(N2C[C@@H](C)C[C@H](C)C2)c1C 1340801 TWNBQWREYBVWAX-KBPBESRZSA-N 368.912 5.149 0 40 FKAB ClC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 1632686 PUFFHJWTKOTSBE-UHFFFAOYSA-N 366.891 7.509 0 40 FKAB CC1=CC(C)(C)N(Cc2c(F)c(F)c(F)c(F)c2F)c2ccc(C)cc21 2311509 FWPJSJFMEINXGA-UHFFFAOYSA-N 367.361 5.893 0 40 FKAB Cc1c(-c2cc(=O)oc3ccc(C(C)(C)C)cc23)oc2ccc(Cl)cc12 2429676 XRINDDIFFQPGBZ-UHFFFAOYSA-N 366.844 6.466 0 40 FKAB biogenic S=c1sc2ccccc2n1CSc1nc(-c2ccccc2)cs1 2535315 CULRWWWXWKSQGT-UHFFFAOYSA-N 372.565 6.306 0 40 FKAB Cc1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 2624875 ACYUZDJPPHUCGD-UHFFFAOYSA-N 374.271 5.107 0 40 FKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)(C)C)cc1 4267972 RWOLKYMTOWSQKC-UHFFFAOYSA-N 364.445 5.368 0 40 FKAB C[C@H](C[C@H](CC[C@@H](C[C@H](C)CC(C)(C)C)N(C)C)N(C)C)CC(C)(C)C 4410145 RBOUZWSMOPFOLI-LRSLUSHPSA-N 368.694 6.552 0 40 FKAB O=[S@@](Nc1ccc2c(c1)oc1ccccc12)C12CC3CC(CC(C3)C1)C2 4717761 IDSCAIONINBKAA-FDZRWCMWSA-N 365.498 5.630 0 40 FKAB CC1(C)CC(=O)c2cnc(Nc3ccc(Oc4ccccc4)cc3)nc2C1 4747353 QWQSNNUESNBAPT-UHFFFAOYSA-N 359.429 5.168 0 40 FKAB C/C(Cl)=C\CSc1nc2ccccc2c(=O)n1CC1CCCCC1 4871881 ZCYXRKNATFXZNM-SDNWHVSQSA-N 362.926 5.212 0 40 FKAB Cc1cc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2)c(C)c1 4970938 NZUHICIQAGACLE-UHFFFAOYSA-N 374.509 5.929 0 40 FKAB CCCCc1ccc(N[C@H]2SC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 5234435 HWJPIVRWVIKTQZ-IBGZPJMESA-N 368.502 5.284 0 40 FKAB Cc1ccc(CN[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 6285618 WOHDYCVRZYHXQA-QHCPKHFHSA-N 358.485 5.081 0 40 FKAB O=c1c2c(-c3cccs3)csc2[nH]c(=S)n1CCc1ccccc1 6537691 PTFMKHKGHZNEGU-UHFFFAOYSA-N 370.524 5.092 0 40 FKAB O[C@@H](CCNc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1 6896734 SGRUOMRRDCMEKH-VWLOTQADSA-N 369.464 6.168 0 40 FKAB c1ccc(-c2c[n+](C(c3ccccc3)c3ccccc3)c3n2CCC3)cc1 6927777 PZMQYFAEQWRQAA-UHFFFAOYSA-N 351.473 5.027 0 40 FKAB Cc1cc(-c2ccc(Br)cc2)n2nc(-c3ccccc3)cc2n1 7604608 NDPSAXQKFLBDTP-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1F 9141020 NUIYYRCOWGFSKD-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 10235633 WSPDQFWWSQPHCI-UHFFFAOYSA-N 370.905 5.278 0 40 FKAB O=C1C[C@H](c2ccccc2OCc2ccccc2Cl)c2sccc2N1 12375574 CUSIXSZPRXNNSW-OAHLLOKOSA-N 369.873 5.455 0 40 FKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Sc1ccccc1 14397919 MKCPUXHTJUDQJS-HNNXBMFYSA-N 367.445 5.383 0 40 FKAB Cc1ccc(-c2nc(CNC(=O)c3cccc4ccccc34)cs2)cc1 15832536 HVYNIXUNPDMYKX-UHFFFAOYSA-N 358.466 5.202 0 40 FKAB Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 16401621 HZRWIOOHLJKMHN-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccccc3F)cc12 16993246 SCJOVDYKWJMLHP-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB biogenic COc1ccccc1C(=O)N1CCC[C@@H]1c1cc(-c2ccccc2)cc(C)n1 19690762 QIKKWKLLGCOPIC-JOCHJYFZSA-N 372.468 5.043 0 40 FKAB COc1ccc2c(c1)[C@@H]([C@@H](C(C)=O)C(=O)c1ccccc1)c1ccccc1O2 19880319 NJMXHEIVFQAPSR-PKTZIBPZSA-N 372.420 5.021 0 40 FKAB O=C1CS[C@@H](c2cccc(Cl)c2)N1c1ccc(C(F)(F)F)cc1 19927066 YHPKEAQNMOHWFD-HNNXBMFYSA-N 357.784 5.137 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20456665 HPHQEKDRGHAPGH-CYFREDJKSA-N 373.496 5.231 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 20481482 IUFHBBZADBIEJR-GOSISDBHSA-N 374.267 5.943 0 40 FKAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 23403540 CZTSBJOVDSNHJH-UHFFFAOYSA-N 363.461 5.048 0 40 FKAB Cc1cc(Nc2ccc(Cl)cc2)n2ncc(-c3ccccc3Cl)c2n1 27585575 TZECEKBFLVMGBP-UHFFFAOYSA-N 369.255 5.755 0 40 FKAB Cc1ccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)cc1 38651605 WDDYHCDOMMYZDU-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB O=C(c1ccc(-c2ccccc2F)o1)N(Cc1ccco1)C1CCCC1 58343749 UQADZIDQYWLVNM-UHFFFAOYSA-N 353.393 5.264 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 100432209 FRVBOPHMSZREMI-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB CC(C)c1ccc(CCCNC(=O)COc2cccc3ccccc23)cc1 218916810 VIFWTERKFSIBGV-UHFFFAOYSA-N 361.485 5.091 0 40 FKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)c1 219001893 WTPJIPUHTRGLBT-FQEVSTJZSA-N 357.497 5.580 0 40 FKAB CSc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 222685430 DJNNPSPGVNJHCV-UHFFFAOYSA-N 351.924 5.573 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222996931 KPANCGMACMETNK-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1 223020652 MFZZDQLFRJHOAS-IBGZPJMESA-N 361.869 5.232 0 40 FKAB C[C@H]1CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(Cl)cc21 223238479 XZRRKSZBYVYRNM-JTQLQIEISA-N 358.707 5.132 0 40 FKAB CCCC[C@@H](CC)CNC(=O)CSCc1ccc(Br)cc1 223453571 KOXQGHOPYPIVJC-CQSZACIVSA-N 372.372 5.015 0 40 FKAB Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 224121651 MUDAMDYBQDCIDF-UHFFFAOYSA-N 365.860 5.124 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c3c(cccc13)CC2 224289854 WAHOATIOYJRHQQ-INIZCTEOSA-N 367.448 5.498 0 40 FKAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 225310765 ZPIQHZCUWYHIJE-UHFFFAOYSA-N 363.844 5.142 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225550063 SGIGMSHIDNSJDK-UHFFFAOYSA-N 371.908 5.968 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225803499 RFRKTVYGTWDEEF-SBUREZEXSA-N 371.521 5.941 0 40 FKAB CC1(C)Oc2ccc(-c3ccccc3)cc2[C@H]2O[C@@H](c3ccccc3)CC[C@@H]21 257288418 PUCCBBJQUGYFPS-JBRSBNLGSA-N 370.492 6.734 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408619962 FAFNQVNXMMHYQK-BJMVGYQFSA-N 367.798 6.134 0 40 FKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccccc1F 409119614 QFEDJAIVAGNYKI-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB CCCc1sc2nc(SCC)n(-c3ccc(CC)cc3)c(=O)c2c1C 409122542 ZIHXUNVBPVKPKO-UHFFFAOYSA-N 372.559 5.383 0 40 FKAB O[C@H](c1ccc(Cl)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 1663987 KMNIXXUSNTVJHM-WOJBJXKFSA-N 358.268 5.880 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1cnc(Cl)c(Cl)c1 2662491 WJLJMZTYLYQGOG-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCC(C)C)cc1 2726393 XIPFVPWGEWQPDH-UHFFFAOYSA-N 364.514 5.100 0 40 FKAB CC(C)Nc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104756 ZWOSIXMDNJGYOW-UHFFFAOYSA-N 369.921 5.910 0 40 FKAB Cc1ccc(C(NC(=O)N[C@H](C)c2ccccc2)=C(Cl)Cl)cc1F 3188179 AWJGYYYOAKUXSO-GFCCVEGCSA-N 367.251 5.298 0 40 FKAB COc1ccc(CNCC[C@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)cc1 4085673 LAKDINKJQJHSDQ-LEWJYISDSA-N 361.570 5.433 0 40 FKAB biogenic c1ccc(Oc2ccc(Nc3c4c(nc5ccccc35)CCC4)cc2)cc1 4192752 JBXIXGCPZMQLHE-UHFFFAOYSA-N 352.437 6.259 0 40 FKAB O=C(CSc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 4414818 NPVODFWJASTBKW-UHFFFAOYSA-N 367.470 5.747 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2 4473549 DQVHDHLXOAAOOQ-UHFFFAOYSA-N 371.484 5.385 0 40 FKAB CCCC1CCC(c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2)CC1 4672579 JRSYKENAYMXKMI-UHFFFAOYSA-N 362.435 7.168 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)n(C)c3n2)cc1 4678332 NWQCVQLILJLWBC-UHFFFAOYSA-N 356.256 5.622 0 40 FKAB CC(C)Cc1ccc([C@@H](C)C(=N)Nc2ccc(Br)cc2)cc1 4955979 LZUSYFXNVMPVQU-CQSZACIVSA-N 359.311 5.840 0 40 FKAB CC(C)[C@H]1CC[C@H](C)[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccccc2)C1=O 5217090 SVDDGKGEGASOQK-ASLXYRGWSA-N 362.513 5.931 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5413916 ZVEANVKCIFCMGP-LBPRGKRZSA-N 352.261 5.523 0 40 FKAB CCN(CC)c1ccc(N[C@H](C[C@H](O)c2ccccc2)c2ccccc2)cc1 5479663 ARVBGCIWRJWUQE-RPBOFIJWSA-N 374.528 5.810 0 40 FKAB COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)CC1(CC3)SCCS1 5824291 NJJRJTCHDTYRKU-QRQLOZEOSA-N 366.592 5.423 0 40 FKAB Clc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)c(Cl)c1 6598221 KNTKXQZHEWBSAO-DHZHZOJOSA-N 366.247 6.972 0 40 FKAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccccc1-c1ccccc1 6639411 NZXFEWXFNHWTTD-UHFFFAOYSA-N 354.812 5.197 0 40 FKAB Clc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1 7467649 VKSAWEXDPBDOPW-UHFFFAOYSA-N 353.874 6.022 0 40 FKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Br)cc1 8382776 SEHAUCGOJQLUSA-UHFFFAOYSA-N 370.246 5.253 0 40 FKAB Clc1ccc2c(c1)/C(=C\c1cccnc1)c1cc(Cl)cc(Cl)c1-2 8628667 KHTICSQHPDGZJB-GIDUJCDVSA-N 358.655 6.611 0 40 FKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(Cl)cc1 13165283 VVPVBJMZZYNFHH-SRXBQZRASA-N 356.878 5.183 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 19933776 XUKHUHNZUKFLGB-NRFANRHFSA-N 353.506 5.510 0 40 FKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20490418 YFMIUNUNQIOGSP-UHFFFAOYSA-N 356.897 5.133 0 40 FKAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)o1 27281645 OPZVCTMLYZCOHJ-SJKOYZFVSA-N 368.864 5.343 0 40 FKAB O=C(c1cc2c(F)cccc2s1)N(Cc1ccco1)Cc1ccco1 30470991 NDZQPCORVJSBDI-UHFFFAOYSA-N 355.390 5.069 0 40 FKAB CCOCc1ccccc1CNC(=O)c1sc2ccccc2c1Cl 30509103 NPQUSSOVEVNSIP-UHFFFAOYSA-N 359.878 5.021 0 40 FKAB C[C@H]1CCCN(C(=O)c2ccc(/C=C/c3ccc4ccccc4n3)cc2)C1 40151202 VAEVHJSWMHSQRH-MDNBWPLSSA-N 356.469 5.277 0 40 FKAB CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 65740829 FQLHSYGNONSVOX-UGTOYMOASA-N 354.490 5.207 0 40 FKAB in-vitro C[C@@H]1CCc2c(sc3ncnc(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c23)C1 100273409 GWEZRYUFIJJLIF-HKZYLEAXSA-N 355.551 5.221 0 40 FKAB C[C@@H](NCC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100745532 RWXOIELWFZDPDK-QDSKXPNFSA-N 365.561 5.791 0 40 FKAB C[C@@H](NC(=O)c1cc2cc3ccccc3nc2s1)c1ccc(F)cc1 223135215 FUNOFCZAUOLYOY-GFCCVEGCSA-N 350.418 5.080 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COCc1ccccc1 224745823 OYLKYCXRLCGLOP-UHFFFAOYSA-N 361.441 5.054 0 40 FKAB CCc1ccc(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 225667212 SXNGBBXFXOEXFJ-UHFFFAOYSA-N 373.540 5.898 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 225733363 VPJIVFISZVWUGW-KRWDZBQOSA-N 353.506 5.019 0 40 FKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c2ncccc12 225896166 QJKQXXZYAQYISN-UHFFFAOYSA-N 372.509 5.049 0 40 FKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c(C)c1 408600936 HLEAGZQHSSNMHH-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB Brc1cccc(-c2ccc(-c3nc4ccccc4s3)o2)c1 409191573 ZJKOCGNUQXDSTL-UHFFFAOYSA-N 356.244 5.986 0 40 FKAB O=C(CCC1CCCC1)c1ccc(Br)cc1OC(F)(F)F 575362622 LIAOOQVJCVCWTH-UHFFFAOYSA-N 365.189 5.501 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1cccc2c(Br)cccc12 834921 JQNBSAHEEWUNGR-UHFFFAOYSA-N 360.638 5.508 0 40 FKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccnc1 848969 PCHKXRKYTYTKKE-UHFFFAOYSA-N 365.392 5.295 0 40 FKAB CC(C)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 997026 WMLRYBDBJDLNPX-UHFFFAOYSA-N 356.425 5.871 0 40 FKAB CCCCCCc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O 2126512 ZQDUUOQLCLEYKX-UHFFFAOYSA-N 374.480 6.946 0 40 FKAB biogenic Nc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5s4)c3)sc2c1 2454781 MKYJBTAMWBOZBQ-UHFFFAOYSA-N 374.494 5.404 0 40 FKAB O=C(O)[C@H](Sc1nc2ccccc2nc1-c1ccccc1)c1ccccc1 3066262 JVNHEGSKJXOCDW-HXUWFJFHSA-N 372.449 5.215 0 40 FKAB CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4517382 SUOPJZMEDVCFAM-UHFFFAOYSA-N 360.891 5.438 0 40 FKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971303 XXDNMBNMXVCJHX-HUUCEWRRSA-N 370.493 5.293 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C)sc1C 5357056 UFHLTEOLEAEPDJ-TZMCWYRMSA-N 359.491 5.062 0 40 FKAB CC[C@@]1(C)C[C@@](CCN[C@@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 5477813 FRRPVDBEADNXFW-YYWHXJBOSA-N 351.962 6.002 0 40 FKAB Fc1ccccc1CSc1nnc(-c2ccccc2)n1Cc1ccco1 5477954 OWSZOMUPWBXQMU-UHFFFAOYSA-N 365.433 5.018 0 40 FKAB O=C(CCC1CCCC1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5617247 IQHNUCOPCCGWGE-OAQYLSRUSA-N 369.436 5.019 0 40 FKAB CCc1ccc(Nc2nc(C)nc3scc(-c4cccs4)c23)cc1 5688911 ZOEOIMDDPBEFPR-UHFFFAOYSA-N 351.500 6.034 0 40 FKAB O=C1c2ccccc2S[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 5773569 PIRMSUXWAIWTJC-OAQYLSRUSA-N 365.885 5.787 0 40 FKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O 6629523 BIZLFPITNBBVDW-CPNJWEJPSA-N 368.502 5.103 0 40 FKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1 6846366 VVROECFITBOMAZ-UHFFFAOYSA-N 356.425 5.532 0 40 FKAB CCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 7261637 HQQSBCZHGYZISH-UHFFFAOYSA-N 365.876 5.347 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1F 7350487 SMGGMYASLSGRJN-UHFFFAOYSA-N 366.461 5.522 0 40 FKAB CCSc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 8040676 AIOIIBXPEWMNJL-UHFFFAOYSA-N 365.951 5.115 0 40 FKAB CC(C)OC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 8560799 UOSXDLHWECRPBH-UHFFFAOYSA-N 373.861 5.372 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3C)nc2c1 8590921 YGHCOIRUTNVSRD-UHFFFAOYSA-N 374.415 5.811 0 40 FKAB Cn1c(Cc2cccs2)nnc1SCc1ccc(Cl)c(Cl)c1 9393100 UWIVXCAKAVIIHN-UHFFFAOYSA-N 370.330 5.067 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1occc1COc1ccccc1 11326596 MKWZPUSOIIMUBI-UHFFFAOYSA-N 361.319 5.130 0 40 FKAB Fc1ccccc1-n1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 13281848 QAUGCEFQLWAIGG-UHFFFAOYSA-N 374.806 5.428 0 40 FKAB Cc1nc2sccn2c1C(=O)c1sc2cc(Cl)ccc2c1Cl 13282788 JPTYVKOIXPMWAA-UHFFFAOYSA-N 367.282 5.457 0 40 FKAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1cccc2ccccc12 14132148 QOKJZDVWIZQTMX-XDHOZWIPSA-N 363.413 5.215 0 40 FKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(CC)cc2)cc1OCC 16317323 UKMIRQUYUDFXEQ-OAHLLOKOSA-N 372.534 5.094 0 40 FKAB Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 17076374 NDLCEMYEPUCIAV-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB O=C(Nc1ccc(Br)cc1F)c1cc2cc(Cl)ccc2o1 19199268 LLBRFAJDJAAIFN-UHFFFAOYSA-N 368.589 5.240 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 21146945 YVJFGTOJRMHQKY-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 22072734 OPFDUFOTLOVGRL-UHFFFAOYSA-N 355.800 5.178 0 40 FKAB CC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 26894740 GDBCIBZRYRSSTA-HSZRJFAPSA-N 374.871 5.959 0 40 FKAB Cc1ccc(Sc2nc(-c3ccccc3)sc2-c2ccccc2)cc1 27025026 OOZQMBSVPVFMRX-UHFFFAOYSA-N 359.519 6.937 0 40 FKAB CC(C)Sc1ncc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 28288792 VGMWQJBAWLXSJL-UHFFFAOYSA-N 367.261 5.001 0 40 FKAB COc1ccc(C)cc1[C@H](C)NC(=O)CSc1ccc2ccccc2c1 32748089 UYXRFRFNIVZNBQ-INIZCTEOSA-N 365.498 5.126 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38849532 CEJARGGWULFERN-UHFFFAOYSA-N 356.897 5.277 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)SCc2ccccc2)cc1 44880951 JBBMCQCVBUEEFW-LAUBAEHRSA-N 371.546 5.221 0 40 FKAB CCc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 55142561 HJWBXYHQLYFQQN-UHFFFAOYSA-N 350.465 6.392 0 40 FKAB biogenic,in-vitro Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 67296974 RNWZGRGDGQXKKP-BZZOAKBMSA-N 372.399 5.365 0 40 FKAB CC[C@@H](C)[C@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918405 RVIKYYISNDYLSJ-MFKMUULPSA-N 359.379 5.463 0 40 FKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N/c1cccc2ccccc12 101374839 KJYFNHLAFWFRNL-XTQSDGFTSA-N 374.534 6.523 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 216283687 PIYQJYNSTAGZGW-MRXNPFEDSA-N 360.482 6.069 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223142756 VDMCMFRQDAPUBY-IBGZPJMESA-N 358.938 5.657 0 40 FKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533539 FPVVPLHJEDEESS-UHFFFAOYSA-N 351.490 5.562 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225894706 AUQPGJOSGSKZKT-QFIPXVFZSA-N 372.509 5.049 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1 263621560 ZOUQTPPIGLPWOG-REMZYBCOSA-N 372.449 5.490 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 409177214 DOWPSKDSSYISNK-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CC(C)n1ccnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 514224250 ZUMPAQSIBLVOSH-INIZCTEOSA-N 365.502 5.570 0 40 FKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccccc1Oc1ccccc1)OC2(C)C 2037844361 UIRFWDDAVBWIIS-AIPFFWNZSA-N 352.474 5.352 0 40 FKAB CCOc1ccc2nc(Cl)c(CN(C(=O)CC)C3CCCCC3)cc2c1 1367855 BBOGAVNJBXYEDE-UHFFFAOYSA-N 374.912 5.358 0 40 FKAB CCCCN(C)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773046 HQEZCWOICAAMRI-UHFFFAOYSA-N 360.288 5.840 0 40 FKAB CCCCc1c(C)c2ccc3oc(C(=O)c4ccccc4)c(C)c3c2oc1=O 1818852 FQEBJPGZQHOYCO-UHFFFAOYSA-N 374.436 5.730 0 40 FKAB Cc1cc(Br)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 2134637 LUISJVGZWDQKGD-UHFFFAOYSA-N 367.242 5.644 0 40 FKAB Sc1ncnc2c1sc1nnc(-c3ccccc3)c(-c3ccccc3)c12 2509644 VMDCRKKEHBEEAK-UHFFFAOYSA-N 372.478 5.257 0 40 FKAB Cc1cccc(-c2nn(-c3cccc(C)c3)c(-c3cccc(C)c3)c2Cl)c1 2733515 JCCZIYYGCQDGCY-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB Clc1ccc(-c2nc3ccccc3n2OCc2ccccc2Cl)cc1 3052859 CHSACXMJJRDSAZ-UHFFFAOYSA-N 369.251 5.639 0 40 FKAB CCc1nc(Sc2nc3ccccc3s2)c2c3c(sc2n1)CCC3 3187174 NAHBQPCAWUPPTR-UHFFFAOYSA-N 369.540 5.503 0 40 FKAB COc1ccc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1 3203727 KGGXBIFSXHPETL-UHFFFAOYSA-N 352.457 5.521 0 40 FKAB CC(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@@H]2[C@@H]1c1cccs1 4113953 GAMINHVCFGHOCG-HNMYEQAXSA-N 356.516 5.199 0 40 FKAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)cc1 4733558 MPNLGWHSBCBXMC-UHFFFAOYSA-N 370.239 5.757 0 40 FKAB O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Cl 4886697 DJSKVIYNPNDLDC-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB CC(C)Oc1ccc([C@@H](CCNCc2ccco2)c2ccc(F)cc2)cc1 5477661 LCVKZCNJUUSFRD-QHCPKHFHSA-N 367.464 5.518 0 40 FKAB Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1 5746316 RVSFOEKEPWNSHL-UHFFFAOYSA-N 373.477 5.675 0 40 FKAB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1C(C)C 6324947 UINYDORVIWKYHV-QNQNADBQSA-N 364.514 5.443 0 40 FKAB Fc1ccccc1-c1nnc(SCc2csc(-c3ccccc3)n2)o1 6553441 YVHGQIZJUWRIQJ-UHFFFAOYSA-N 369.446 5.292 0 40 FKAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SCc1cccs1 8325605 QWWMXMDIAXHOPB-UHFFFAOYSA-N 369.467 5.021 0 40 FKAB Cc1ccccc1CSCCNC(=O)c1ccc(-c2ccccc2)cc1 8571142 NUMMPVPYUYORGM-UHFFFAOYSA-N 361.510 5.325 0 40 FKAB Cc1oc(-c2ccccc2)nc1CSc1ncc(-c2ccc(F)cc2)o1 10887834 PTRIAVQWQPJWBJ-UHFFFAOYSA-N 366.417 5.736 0 40 FKAB CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc(-c2ccc(Cl)cc2)o1 11690071 OMYSWKXHLJEXJH-LJQANCHMSA-N 364.832 5.181 0 40 FKAB Clc1ccc(-c2csc(SCc3cccc(Cl)c3)n2)cc1 12129717 MJMDHHBGTWRHNO-UHFFFAOYSA-N 352.311 6.409 0 40 FKAB C[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc2ccccc12 12909366 NQEUDEVIGPCRLR-CVEARBPZSA-N 358.441 5.264 0 40 FKAB Clc1ccc2c(c1)nc(SC[C@@H]1CCCCO1)n2Cc1ccccc1 12970692 CLISZKFZPSTHJA-KRWDZBQOSA-N 372.921 5.399 0 40 FKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1C 14206597 XFCKUOYJQUKOFU-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@]34C)SCCS5)[C@@H]1CC[C@@H]2O 16917276 AZGUMZVYIIAYNT-WDCLZLQXSA-N 366.636 5.566 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(F)(F)F 20482627 GHVSHNURGTWFCU-QGZVFWFLSA-N 351.368 5.118 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20482824 RCMRKIGQTXXUNB-HNAYVOBHSA-N 361.938 5.705 0 40 FKAB C[C@@H](c1cccs1)N(C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 23078131 KKAXHKXLDHHCHK-NSHDSACASA-N 367.396 5.010 0 40 FKAB Cc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccccc3Cl)c2n1 27585579 XKIBYCLMDZREFZ-UHFFFAOYSA-N 369.255 5.755 0 40 FKAB c1ccc(-c2nc(NCc3ccco3)c3oc(-c4ccccc4)nc3n2)cc1 27985672 ZBCDTRKCDNRSKV-UHFFFAOYSA-N 368.396 5.157 0 40 FKAB O=C(O)CCCCCCCCCCc1ccc(C2(C(F)(F)F)N=N2)cc1 31541772 MGTCSIXGLCFXSR-UHFFFAOYSA-N 370.415 6.006 0 40 FKAB in-vitro Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(F)cc1 40968353 BTXGOVDJJWRZIE-UHFFFAOYSA-N 368.477 5.807 0 40 FKAB CC(C)[C@@H]1CC[C@@H](C(C)C)P1CCP1[C@H](C(C)C)CC[C@H]1C(C)C 71769532 IRVIFEWWPYKALC-CMOCDZPBSA-N 370.542 7.636 0 40 FKAB Cc1nc(-c2ccccc2NC(=O)/C=C/c2ccccc2Cl)cs1 208008544 SNVGLXIDXCYMOQ-ZHACJKMWSA-N 354.862 5.424 0 40 FKAB O=C(CCc1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 222670258 BINDVKAEDHVAMC-UHFFFAOYSA-N 365.476 5.678 0 40 FKAB C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)CCCC2 222904798 KJLIKMMBBLITAF-HNNXBMFYSA-N 373.949 5.329 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(C(C)C)cc1 222975295 QBNSGKDICPVFGY-JOCHJYFZSA-N 367.533 5.333 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 223000966 LXAIATZBPXIVMB-YADHBBJMSA-N 353.506 5.345 0 40 FKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)oc1ccccc12 224616739 RZEYFVDPCPCLQG-SFHVURJKSA-N 363.388 5.521 0 40 FKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1(c2ccccc2)CCCC1 224735515 GMWPLQAVKWSIPV-FQEVSTJZSA-N 363.501 5.225 0 40 FKAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224983520 YGELLACCKYZVOQ-UHFFFAOYSA-N 357.497 5.337 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCSCc2ccccc2Cl)c1 225295168 MZNNETMBFLGJMY-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB CCOc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 225497772 LESVYKWYBUKHHT-FQEVSTJZSA-N 372.534 5.168 0 40 FKAB S=C(NCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 408578182 WNUWKCRSZOVLBG-UHFFFAOYSA-N 367.901 5.384 0 40 FKAB CCCN1C(=O)/C(=C\c2cc(C(C)C)c(OCC)cc2C)c2ccccc21 409110316 BNWQVPMJDLHJAL-QNGOZBTKSA-N 363.501 5.814 0 40 FKAB Cc1cc(OCc2ccccc2Cl)c2c3c(c(=O)oc2c1)CCCC3 639748 NRQHVVVLADQRSY-UHFFFAOYSA-N 354.833 5.213 0 40 FKAB biogenic Cc1cc(C)cc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)c1 940009 XFUPYAPHTXAASE-UHFFFAOYSA-N 372.420 5.781 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Oc2ccccc2)cc1 949336 IBOLVWKQGTYFCB-UHFFFAOYSA-N 372.449 5.855 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)cc3)n2)cc1 1284191 HVIUBZWEINFBJO-UHFFFAOYSA-N 352.459 5.194 0 40 FKAB O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1 1590899 ATESSTJCVXDGTE-UHFFFAOYSA-N 373.843 5.445 0 40 FKAB Cc1ccc(C)c(NC(=O)N(C[C@@H](O)c2ccccc2)C2CCCCC2)c1 1741882 QCVBTXJSRSOFTG-JOCHJYFZSA-N 366.505 5.204 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2s1 1953458 PTZIECOJFMXWES-SDNWHVSQSA-N 374.440 5.754 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 2061510 MZDGRPWBVNRJNV-UHFFFAOYSA-N 359.277 6.376 0 40 FKAB Cc1cc2c(cc1C)CSC(c1ccccc1OC(=O)C(C)C)SC2 2158415 RTAHVTKOMKGCDX-UHFFFAOYSA-N 372.555 6.044 0 40 FKAB CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(C(C)(C)C)cc1 2286672 NVYWRYKSUJLZDY-UHFFFAOYSA-N 352.455 5.621 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(Cl)ccc1Cl 2749158 OTKBQSODBRYKBA-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB O=C(COC(=O)c1c(F)cccc1Cl)c1ccc(C2CCCCC2)cc1 3315798 CWXNAILNHWJOPM-UHFFFAOYSA-N 374.839 5.567 0 40 FKAB CCc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn12 3896546 JAKXBOLNZACKMX-UHFFFAOYSA-N 371.488 5.077 0 40 FKAB C[C@H]1C[C@@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)c2ccccc2N1 4046263 JYTDIBJBHJOQQD-ARDPSPKTSA-N 368.480 5.678 0 40 FKAB Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 4199450 BJKRYMSYDSTALD-NRFANRHFSA-N 367.279 6.349 0 40 FKAB CC(C)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 4313419 BQIJQUGKICFGMV-YLJYHZDGSA-N 356.853 5.233 0 40 FKAB COC[C@H]1[C@@H]2CC[C@H]([C@H]1COC)C2(Cc1ccccc1)Cc1ccccc1 4934325 UMROHYYIRSCRMU-NVPYSNMXSA-N 364.529 5.023 0 40 FKAB CCOP(=O)(OCC)C1=C(P(=O)(OCC)OCC)CCCC1 5049402 CQZKWNOFRRMQJR-UHFFFAOYSA-N 354.320 5.304 0 40 FKAB FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3ccc(Cl)cc3)cnn12 5429253 ZNSNLSOTWRXLTA-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB CC(=O)[C@@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5557240 BMMLEGKZMUJWNL-OAHLLOKOSA-N 367.518 5.072 0 40 FKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1 6241124 GZBHGTHTBCUELP-OAHLLOKOSA-N 370.518 5.116 0 40 FKAB O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)C12CC3CC(CC(C3)C1)C2 6383071 AIWZMOMYZQZXSE-UHFFFAOYSA-N 371.484 5.385 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1 6629137 YAWGGVRPZZCJTD-UHFFFAOYSA-N 354.494 5.272 0 40 FKAB O=C(C1CCCCC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 7101974 OUAYKKPWFUIFHW-FQEVSTJZSA-N 366.892 5.250 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1ccccc1 7655707 KEQBZNIXPCZSSO-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB c1ccc2sc(Cc3ccc(Nc4ncnc5sccc45)cc3)nc2c1 7974169 MCUFLKCWRNSEOD-UHFFFAOYSA-N 374.494 5.635 0 40 FKAB COc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1F 8708163 IXBYUDVCDXWGIE-UHFFFAOYSA-N 373.811 5.020 0 40 FKAB Cc1ccc2oc(C(=O)Nc3ncc(Cc4ccccc4)s3)c(C)c2c1 9910720 IKLKNINFVVAHSO-UHFFFAOYSA-N 362.454 5.349 0 40 FKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)cc1 12274529 RVBQNSMGGSSPLO-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\Cc3cccnc3)c2c1 12374237 CPXJGNBQXOGFBX-XTCLZLMSSA-N 370.452 5.167 0 40 FKAB CC(C)C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 12756094 PGSXCHOIWLECBG-GOSISDBHSA-N 370.543 5.318 0 40 FKAB Cc1ccccc1/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1 17299501 WFPGLINMIBVOOJ-RWEWTDSWSA-N 351.409 5.517 0 40 FKAB O=C(O)c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20242135 NMHWMLYGJOSTCS-MFKUBSTISA-N 359.469 5.603 0 40 FKAB O[C@@H](CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 22076569 NUXHNZQHOOGUTO-SFHVURJKSA-N 362.256 5.077 0 40 FKAB CN(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H]1CCCc2ccccc21 29259158 ABPYGPFCRXHUNN-HSZRJFAPSA-N 367.448 5.048 0 40 FKAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)o1 29885027 LHZBFUGJAFMVIM-CXAGYDPISA-N 353.393 5.074 0 40 FKAB Clc1cccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)c1 33171495 AZAITGDCSPYCLX-UHFFFAOYSA-N 359.863 5.166 0 40 FKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 44086450 JFRZVYPSJAGNBM-UHFFFAOYSA-N 356.494 6.140 0 40 FKAB Cc1cc2c(cc1[C@](C)(O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 45329788 QSJOZWPYZHBYNR-XMMPIXPASA-N 366.501 5.298 0 40 FKAB Cc1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 45919901 CRXPXFQFYQZVIQ-UHFFFAOYSA-N 357.034 5.873 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3cc(F)ccc3F)ccc21 51354422 LGGSQTNQHRVFJV-UHFFFAOYSA-N 365.383 5.737 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 58172881 VVBNHYBXBDZDOR-DJJJIMSYSA-N 360.548 5.221 0 40 FKAB CC1=CC(C)(C)N(C(=O)C(C)(C)C)c2ccc(OC(=O)C(C)(C)C)cc21 59090039 HASYIZIJAWYEQR-UHFFFAOYSA-N 357.494 5.213 0 40 FKAB Cc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 59477546 UKAOGRSXEWLOMQ-FMIVXFBMSA-N 360.438 5.517 0 40 FKAB CN(c1ccccc1)c1ccccc1NC(=O)N1CCC[C@H]1c1cccn1C 70013853 XUWHSSVTNNIDQT-QFIPXVFZSA-N 374.488 5.162 0 40 FKAB Cc1cc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1F 71760618 PZDUSRHFKHUEJJ-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)c1 72229509 YFEYEHIOJDBNQP-UHFFFAOYSA-N 367.276 5.025 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 75283158 GLNLIMPGZXQKAS-UHFFFAOYSA-N 355.796 5.453 0 40 FKAB CCN(CC)[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)C(C)C 89967824 VFUXAAVNFGEROP-QGZVFWFLSA-N 353.432 5.032 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 100066772 QBYJBZPUGVGKQQ-CWLNCONASA-N 364.914 5.270 0 40 FKAB biogenic,in-vitro CC(C)(C)C(=O)C[C@]1(O)Sc2ccccc2N=C1/C=C(\O)C(C)(C)C 100122024 KTSLYWUKPHOUAD-VZEGMYIASA-N 361.507 5.047 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 222934923 CSZFYZSTRPWBSG-UWJYYQICSA-N 353.506 5.327 0 40 FKAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3cccc4ccccc34)c2N)cc1 225181868 JJYIFGYUOQYJMO-UHFFFAOYSA-N 367.374 5.602 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1F 225389793 PYAKDXOKYQXUBM-UHFFFAOYSA-N 353.418 5.238 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cc(C)cc(C)c2)cc1 225496910 XVPWDAGVTMQBOK-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCC2)cc1 225513768 MAJRXVZNFMXQNZ-UHFFFAOYSA-N 351.490 5.541 0 40 FKAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 225860302 PSGTZXRZLVPGAF-NRFANRHFSA-N 373.924 5.247 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccccc1 408560641 DRSWBAGEWHRZKN-LNVKXUELSA-N 368.477 5.069 0 40 FKAB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(-c2ccccc2)n1-c1ccccc1 408789994 PMYWSZVKYQPAEG-XMHGGMMESA-N 374.465 5.119 0 40 FKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(SC)cc2)cc1 409000680 ZMYNQYGJWRDLCY-JOCHJYFZSA-N 374.509 5.742 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc4ccccc4c3)o2)cc1 409194873 DPEIAGYKRPQGFH-UHFFFAOYSA-N 357.409 5.573 0 40 FKAB CC(C)c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1 1772715198 VPZNAPPDTFFTKO-UHFFFAOYSA-N 363.504 7.888 0 40 FKAB Cc1cc2cc3c(cc2nc1SCc1c(F)cccc1Cl)OCO3 930016 IJYRTYKVUQQMRR-UHFFFAOYSA-N 361.825 5.357 0 40 FKAB Clc1ccc2nc(CSc3nc4ccccc4s3)c(Cl)n2c1 939017 MIOIZSOGJHMVHH-UHFFFAOYSA-N 366.298 5.543 0 40 FKAB FC(F)(F)c1cc(Oc2ccccc2Cl)nc(-c2ccccn2)n1 1391102 KCIGSSKTLZLPQL-UHFFFAOYSA-N 351.715 5.003 0 40 FKAB CCC(C)(C)C1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 1821097 ZUBFRQUZWIVQSB-UHFFFAOYSA-N 362.517 6.082 0 40 FKAB Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c(Cl)c1 1830389 FVQTXOCYXYZNJM-UHFFFAOYSA-N 362.816 5.757 0 40 FKAB Fc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 2180960 QKXWGLWJZUZESK-UHFFFAOYSA-N 373.456 5.637 0 40 FKAB CSc1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1 2645508 BXZHOSAIJLHKJH-UHFFFAOYSA-N 361.510 5.361 0 40 FKAB COc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1 2689769 QKCUMTHATRWDSO-UHFFFAOYSA-N 365.436 5.260 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCCCC1 2745638 VXPGJIDZLBSHKB-UHFFFAOYSA-N 358.485 5.663 0 40 FKAB CCCC[C@@H](CC)CNC(=O)CCCOc1ccc(Cl)cc1Cl 2746005 BEPUBLHMLXSFOC-CQSZACIVSA-N 360.325 5.485 0 40 FKAB O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1ccc(Cl)cc1Cl 3165819 XTHOLULPJKNCNL-SJCJKPOMSA-N 352.261 5.118 0 40 FKAB O=c1[nH]c(Nc2ccc(F)cc2)c(Sc2ccccc2)c2ccccc12 3262891 UVNGZJLWFFRKIL-UHFFFAOYSA-N 362.429 5.562 0 40 FKAB O=C(Oc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1 3278988 OFICRHZTMYGVRJ-UHFFFAOYSA-N 373.235 5.792 0 40 FKAB Cc1ccc(NC(=O)[C@@H](NCc2ccccc2)c2ccccc2)cc1Cl 3346783 DARFDQLIIJEBIT-NRFANRHFSA-N 364.876 5.118 0 40 FKAB CCC1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 4134094 PVGLIXBJRQBJML-UHFFFAOYSA-N 364.489 5.402 0 40 FKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(F)=C(F)F 5764451 AWUGBSODAQALNP-OZMCLOMFSA-N 366.423 5.360 0 40 FKAB CCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2C)cc1 5953690 DQSWPOUFYKPZBZ-UHFFFAOYSA-N 372.877 5.423 0 40 FKAB CCCCOc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 6273822 ICMUWDJYZYJFLE-UHFFFAOYSA-N 370.449 5.380 0 40 FKAB c1ccc(-c2cn(-c3ncnc4sc(-c5ccccc5)cc34)cn2)cc1 6653696 WBHICFYZTDETQP-UHFFFAOYSA-N 354.438 5.211 0 40 FKAB Cc1ccc(-c2noc(SCc3ccc(Cl)cc3Cl)n2)cc1 7605105 RIGDKNIUKOAPND-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB Cc1sc(NC(=O)c2cc3ccccc3o2)nc1-c1ccc(F)c(F)c1 7967232 UXFIULTZMJCKPJ-UHFFFAOYSA-N 370.380 5.395 0 40 FKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Cl)cc1F 8060914 RJAFUQQTRGHOTD-UHFFFAOYSA-N 352.843 5.225 0 40 FKAB C[C@]12C=CC[C@H]1[C@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@@H]1CC2 8615876 KHAIFVOAJPIDQL-KELBGUDLSA-N 358.481 5.928 0 40 FKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(/C=C/c2ccccc2)s1 8767321 ZXXPCZJLWGPCBK-IZZDOVSWSA-N 356.838 5.006 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ncc(-c2ccccc2)o1 9321352 JZZQLGUQNQMCNK-UHFFFAOYSA-N 366.726 5.266 0 40 FKAB COc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 16243027 RXICCVLHRSCCFI-OAQYLSRUSA-N 362.498 5.080 0 40 FKAB COc1cccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690777 JWLVNMRAAPNPRN-HSZRJFAPSA-N 372.468 5.043 0 40 FKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 20896875 KEVPEORYCVIRGP-UHFFFAOYSA-N 355.434 5.133 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(-c3ccccc3)cc2)C1 26898213 KBUDGPICMAEAGO-FQEVSTJZSA-N 352.478 5.165 0 40 FKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccc(F)cc1 33040284 RKXJHYDCQKQWBH-FQEVSTJZSA-N 373.431 5.261 0 40 FKAB CCn1ncc2ccc(NC(=O)c3cc(F)ccc3-c3ccccc3)cc21 58366522 OMLPUWUAQYHRTO-UHFFFAOYSA-N 359.404 5.115 0 40 FKAB Clc1c(CSc2nnc(N3CCCC3)s2)sc2ccccc12 58366770 LAJVKAZKJGBWAY-UHFFFAOYSA-N 367.952 5.299 0 40 FKAB CCCCN1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214643 NUNNEUHLGVLVPZ-SFHVURJKSA-N 361.530 5.170 0 40 FKAB C[C@@H]1CCc2c(-c3ccccc3)[nH]c(=S)c(C(=O)Nc3ccccc3)c2C1 95117590 ZTANSKYNEPEONM-OAHLLOKOSA-N 374.509 5.788 0 40 FKAB CCCC[C@H](CC)C[C@H](CC)CNC[C@@H](CC)C[C@@H](CC)CCCC 96191799 TUWPUFVJJBETKM-ZJZGAYNASA-N 353.679 7.841 0 40 FKAB Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 101214979 UESRSGGAWUCSIK-RBBKRZOGSA-N 373.887 6.144 0 40 FKAB O=C1[C@H]2C[C@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101464080 COXAAIGTNDLOER-BMFZPTHFSA-N 374.267 5.067 0 40 FKAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)c1ccc2c3c(cccc13)CC2 216850829 VPBYVIGZZIQHFV-LBPRGKRZSA-N 351.833 5.092 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219335522 HVLBVXHTHOOLAI-HSZRJFAPSA-N 367.533 5.333 0 40 FKAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2SC(C)C)c1 219655038 PKBFTYXGTAUFMB-UHFFFAOYSA-N 371.546 5.337 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224452295 DABHPAGOXFHBGI-NRFANRHFSA-N 373.452 5.999 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 224886171 PUPBGHGKAJDDMV-UHFFFAOYSA-N 355.381 5.338 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2ccccc12 225810077 AFILLIUTHWBTOV-GAJHUEQPSA-N 369.505 5.553 0 40 FKAB Cc1cc(-n2cccc2)cc2nc(-c3ccccc3Br)oc12 226247097 GFWGBYKLRZBZKW-UHFFFAOYSA-N 353.219 5.356 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(c5ccccc5)=CC[C@@]43C)[C@H]1CC[C@@H]2O 245239043 DVFACKFNDPANLI-YQHCMSGASA-N 350.546 6.084 0 40 FKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 408627840 OHTXOHYQVGBGCT-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB COc1ccc2ccccc2c1CNc1ccc(Oc2ccccc2)cc1 409114464 JTELQBYQOYKEIN-UHFFFAOYSA-N 355.437 6.253 0 40 FKAB Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)Nc1ccc(Cl)cc1 705993 RADBAVQAJCFQPQ-UHFFFAOYSA-N 350.032 5.256 0 40 FKAB Cc1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 946514 OFRJKRZIYMVWKQ-UHFFFAOYSA-N 360.438 5.649 0 40 FKAB Cc1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)c(=S)n2)cc1 982032 OPMRYKVOQUKUTA-UHFFFAOYSA-N 362.376 5.476 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(C)c1 1266518 OIDJBXQXCFRPPK-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB C[C@@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 1272599 AZJLBFWAQVIHIW-FQEVSTJZSA-N 354.497 5.801 0 40 FKAB O=C(OCc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 1443282 JOOAOMGNADWFDI-UHFFFAOYSA-N 374.827 5.307 0 40 FKAB O=C(COc1cc(Cl)ccc1Cl)Oc1ccc(-c2ccccc2)cc1 1747179 PSXKGUUNKNLCGL-UHFFFAOYSA-N 373.235 5.645 0 40 FKAB c1ccc(-c2nnc(OCc3cccc4ccccc34)c3ccccc23)cc1 2625693 VTSXKNMARDHEKQ-UHFFFAOYSA-N 362.432 6.029 0 40 FKAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2736740 GUBLFVTYRGBURF-GQCTYLIASA-N 365.241 5.362 0 40 FKAB CCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 2753124 LKEZUNQXIIXQLG-AWEZNQCLSA-N 365.539 5.347 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc2oc3ccccc3c2c1 3096362 MDIUUTNLIPGHTH-UHFFFAOYSA-N 372.207 6.504 0 40 FKAB Cc1ccc([C@H](NC(=O)Oc2ccccc2)C(Cl)(Cl)Cl)cc1 3176739 VHAZTZUZJONDGM-AWEZNQCLSA-N 358.652 5.195 0 40 FKAB Cc1ccccc1-n1c(SC(F)F)nnc1-c1ccc(Cl)cc1 3306264 XBKFEFMOTGQEEN-UHFFFAOYSA-N 351.809 5.211 0 40 FKAB Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C)c(C)c3)cc2)cc1 3466612 PXOXHYSJELQNND-UHFFFAOYSA-N 352.455 5.237 0 40 FKAB Cc1ccc(/N=c2\scc(-c3ccccc3)n2-c2cccc(C)c2)cc1 4618921 STCLFCXTQXMCLD-VHXPQNKSSA-N 356.494 6.055 0 40 FKAB Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 4950013 NHKLBBNLRTZWKY-OAQYLSRUSA-N 350.824 5.835 0 40 FKAB C1=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CCCC1 4994797 HJQXROKWIDWMQU-UHFFFAOYSA-N 354.493 6.496 0 40 FKAB Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3cccs3)C2)cc1 5003549 FKXGVXZSRDYQEQ-GOSISDBHSA-N 373.308 6.411 0 40 FKAB CN1c2ccccc2C[C@H](C(=O)Nc2cccc(Cl)c2)c2ccccc21 5334755 WGMVZEOGYYWTMJ-IBGZPJMESA-N 362.860 5.386 0 40 FKAB Cc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C 6035072 BWRCTBZHURGGRH-UHFFFAOYSA-N 360.240 6.123 0 40 FKAB Cc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 6334211 DCSFAOVWYWQBNP-UHFFFAOYSA-N 356.494 6.838 0 40 FKAB CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1 8914559 QCWWYUNIEWYPPE-UHFFFAOYSA-N 368.462 5.028 0 40 FKAB CC(C)(C)CC(C)(C)NCc1ccc(OCc2ccccc2)c(Cl)c1 10475340 VBJSACYKBDSELD-UHFFFAOYSA-N 359.941 6.223 0 40 FKAB CC(C)(C)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12555740 MXGRZSFVBPMQKI-UHFFFAOYSA-N 369.465 5.224 0 40 FKAB CCC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 12772103 OHXQJVQAGMPBQQ-OAQYLSRUSA-N 368.480 5.493 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1C 13930896 JLFXBRCKQIJNKI-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB c1ccc(C(Sc2ccccn2)(c2ccccc2)c2ccccc2)cc1 16477660 RCHGOAXPRTYQFY-UHFFFAOYSA-N 353.490 6.166 0 40 FKAB Cc1cc(C)c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)[nH]c2c1 24461583 IDOMAHLCEHNJBC-UHFFFAOYSA-N 364.470 5.282 0 40 FKAB COc1ccc([C@@H]2CCCN2CCC(=O)Nc2cccc3ccccc23)cc1 24746748 QQHNBFXUHMSWLD-QHCPKHFHSA-N 374.484 5.014 0 40 FKAB CCCOc1ccc(NC(=O)c2oc3cc(C)ccc3c2C)c2cccnc12 32623701 VURFSHVLIMDEKD-UHFFFAOYSA-N 374.440 5.639 0 40 FKAB Cc1ccc(-c2noc(Cc3nc(-c4cc(C)ccc4C)cs3)n2)cc1 33298170 NEINDLLPLLNLFA-UHFFFAOYSA-N 361.470 5.376 0 40 FKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccccc2C)cc1 44086730 HMMOPCGAXXBEPY-UHFFFAOYSA-N 364.514 5.891 0 40 FKAB CCc1cccc(CC)c1NC(=O)CSCc1c(F)cccc1Cl 57684085 QLRJBNPREJYINJ-UHFFFAOYSA-N 365.901 5.476 0 40 FKAB Nc1c(Cl)cc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1Cl 58378099 HXEGJHGFLBPZSR-UHFFFAOYSA-N 372.255 5.254 0 40 FKAB O=C(c1ccccc1)C1CCN(C2c3ccccc3-c3ccccc32)CC1 59391991 DWFRCMPUMKISPC-UHFFFAOYSA-N 353.465 5.351 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@@H](c2ccccc2)C1 100433672 ICBYPXXEXQENKC-MWTRTKDXSA-N 372.493 6.377 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1Cl 222920851 JZIYTPNWPMLBQO-IBGZPJMESA-N 359.897 5.111 0 40 FKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1Cl 224916094 XGAQTVLKLUOHOD-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CC(C)c1ccccc1O[C@@H](Cc1cccc(Cl)c1Cl)C(=O)O 225082985 ORMHETUKIRZOPR-INIZCTEOSA-N 353.245 5.192 0 40 FKAB O=C(c1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccccc1 225225337 KORGOUPUIKFTSX-UHFFFAOYSA-N 353.824 5.322 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cc(Cl)cc(Cl)c1 225345308 SJOLXKTWHGNCHZ-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1 225705144 CQXWRXZSEZMUBN-QFIPXVFZSA-N 363.542 5.796 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2O1 225866585 KSTUMABTJYCDLO-NRFANRHFSA-N 365.517 5.435 0 40 FKAB CC(C)c1ccc2oc(-c3cccc(N4Cc5ccccc5C4=O)c3)nc2c1 226287299 RPEMAGJRORIXNO-UHFFFAOYSA-N 368.436 5.779 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc2c(Cl)cccc12 408620014 GMTRQEIPEPYAIK-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Br)c1 409178930 KQFWOZDAXKPTHY-UHFFFAOYSA-N 367.242 5.396 0 40 FKAB COc1cccc2c(-c3nc4ccccc4s3)c(-c3ccccc3)[nH]c12 409192881 GPRKITYCUTXQOD-UHFFFAOYSA-N 356.450 6.120 0 40 FKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCCCCC1 687016 BZEJNDCLVGYBCW-UHFFFAOYSA-N 367.276 5.409 0 40 FKAB Cc1ccc2nc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)sc2c1 712900 WBFUJHDXWIUXQK-UHFFFAOYSA-N 370.433 5.072 0 40 FKAB c1ccc(-c2cc(-c3nnc(-c4ccncc4)o3)c3ccccc3n2)cc1 876403 WBOMNAACQQQFQO-UHFFFAOYSA-N 350.381 5.014 0 40 FKAB CC(C)c1nc2sc3c(N4CCCCC4)ncnc3c2c2c1CCCC2 1300585 DTIJTIQOWNZCMK-UHFFFAOYSA-N 366.534 5.232 0 40 FKAB O=P1(O)[C@H](c2ccccc2)OC(c2ccccc2)O[C@H]1c1ccccc1 2019615 VXTLIEBHUAJBHQ-NHCUHLMSSA-N 366.353 5.400 0 40 FKAB CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 2063581 QOUKQHAAXUIWLH-UHFFFAOYSA-N 366.302 6.476 0 40 FKAB COc1ccc([C@H](CCNCc2ccc(OC(C)C)cc2)C(C)C)cc1 2332182 BPBDVEZZLKLLGN-HSZRJFAPSA-N 355.522 5.402 0 40 FKAB O=c1oc2cc(O)ccc2c(Cc2ccc(Cl)cc2)c1-c1ccccc1 2581732 OZAJTLUKFFAXHQ-UHFFFAOYSA-N 362.812 5.410 0 40 FKAB biogenic,in-vitro Fc1ccc(CSc2nsc(SCc3ccc(F)cc3)n2)cc1 3111163 JTWHQAITCCQJOM-UHFFFAOYSA-N 366.483 5.401 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1Cl 4194711 AAJGYQIXOPQFKM-UHFFFAOYSA-N 364.857 5.869 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 4689375 FDAQCOYFNJDUAI-UHFFFAOYSA-N 370.246 5.578 0 40 FKAB CCc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 5459053 YILJBYRSIULZSG-FYYLOGMGSA-N 371.459 5.884 0 40 FKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccccc1 6495845 XURKOCXBVAYXGF-UHFFFAOYSA-N 364.404 5.900 0 40 FKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccc(C)cc3c2C)cc1 6810717 VKKKPPLIGZIGPE-UHFFFAOYSA-N 373.452 5.794 0 40 FKAB aggregator CSc1ccc2nc(Nc3cccc(Br)c3)sc2c1 7447775 GTYJIQSJZASGCE-UHFFFAOYSA-N 351.294 5.524 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1cccc(/C=C/c2ccccn2)c1 7644126 YCTGYPKBJWVNII-CCEZHUSRSA-N 364.448 5.586 0 40 FKAB Cc1ccccc1NC(=O)c1cccnc1Sc1ccc(Cl)cc1 8428147 KQKDAYJRQNIDNI-UHFFFAOYSA-N 354.862 5.447 0 40 FKAB CCc1ccc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 10371668 WIJQPTHXFHRXRS-UHFFFAOYSA-N 370.496 5.948 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 11637156 FPDZREUYQSQEMW-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)Oc1ccccc1 13849846 DMTVNRPVBDJUAZ-CQSZACIVSA-N 373.909 5.384 0 40 FKAB CCc1cc(-c2snc(C)c2-c2ccc(OC)cc2)c(O)cc1OC 16756725 IKONQGGVOXGNSB-UHFFFAOYSA-N 355.459 5.071 0 40 FKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(C)c(C)c2)s1 19933149 NYCATRGATBGFEG-UHFFFAOYSA-N 356.516 5.368 0 40 FKAB O=C(Cc1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1cccs1 20018840 BMUKJNIPWQQBDJ-QHCPKHFHSA-N 357.478 5.350 0 40 FKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 22533207 PHFSTYNVGDGFSX-JPYJTQIMSA-N 361.485 5.511 0 40 FKAB CCc1cc2c(SCC(=O)c3ccc(Cl)cc3)nc(C)nc2s1 28164502 FBCGJQXKKSGFSD-UHFFFAOYSA-N 362.907 5.191 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccc(COc2cccc(Cl)c2)o1 28231564 ZEHGXHMIKFKZNT-UHFFFAOYSA-N 362.212 5.418 0 40 FKAB O=C(c1ccco1)N(Cc1cccs1)c1cc(Cl)ccc1Cl 32593562 HGRLBCLZGAKEGQ-UHFFFAOYSA-N 352.242 5.495 0 40 FKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2F)cc1 40485409 IYTVIMLDVREQKB-JOCHJYFZSA-N 373.427 5.187 0 40 FKAB FC(F)(F)c1cnc(NCc2cc(-c3ccccc3)no2)c(Cl)c1 58406801 NXNZPFLDFCCADS-UHFFFAOYSA-N 353.731 5.021 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)oc3c2)cc1 62049590 HXEBNUFJLAHDKE-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB COc1ccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)cc1 67192485 IEIFZLLJOGSJNB-UHFFFAOYSA-N 351.258 5.869 0 40 FKAB Cc1cc(N2CCCC[C@@H]2c2cccc(C)c2C)nc(-c2ccncc2)n1 72307634 MGLONSXYJZXKHA-OAQYLSRUSA-N 358.489 5.195 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2)cc1 106974002 HBCVAJFWNGEEAS-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB C[Si](C)(C)N(SN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C 169808210 HJYSTONGOLZKOR-UHFFFAOYSA-N 352.845 5.493 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCS[C@H](c2ccccc2)CC1 208042453 CFQPAWLMEALLBC-KRWDZBQOSA-N 353.512 5.222 0 40 FKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SC(C)C)CC(C)(C)O2 219657030 CXCCVVXYXYGOPI-SFHVURJKSA-N 369.530 5.528 0 40 FKAB O=C(NCc1ccc2ccccc2c1)/C(=C/c1ccco1)c1ccccc1 222750001 WYTNKGHYKNATAG-XQNSMLJCSA-N 353.421 5.290 0 40 FKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(C)cc1 224464106 RIBHSKVFZMTCJH-UHFFFAOYSA-N 367.489 5.035 0 40 FKAB Clc1ccc(C2=CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1 226762091 HKNJIYANGLLMTO-UHFFFAOYSA-N 365.263 6.581 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2ccccc12 260816981 TYRPLQIRYDXXHS-HKARXFIJSA-N 369.505 5.551 0 40 FKAB CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C)cc2)n1 408724053 DFAJBGQWYVUBLB-UHFFFAOYSA-N 356.425 5.178 0 40 FKAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 408733168 FOCDWBJVCUUYKB-XMMPIXPASA-N 370.496 6.144 0 40 FKAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Cl)c(Cl)c1 408832972 RCFJLUVYXBVZKC-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CCn1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 409128916 LGOFGFLAGMAXJL-UNOMPAQXSA-N 362.454 5.211 0 40 FKAB Cc1ccc(Br)cc1SCC(=O)Nc1ccc(Cl)cc1 938572 MEHMXHXTFWILRY-UHFFFAOYSA-N 370.699 5.142 0 40 FKAB C[C@H]1CC(C)(C)C[C@]2(CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 1397764 VRWPWKKRDRVORF-BBATYDOGSA-N 354.277 5.089 0 40 FKAB CCO[C@@]1(c2ccccc2)c2cccc3cccc(c23)[C@]1(O)c1ccccc1 1654143 RRJHOZWINJAEKQ-FTJBHMTQSA-N 366.460 5.369 0 40 FKAB CCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OC 1688871 QCGIWDQTELRVRW-UHFFFAOYSA-N 374.047 5.044 0 40 FKAB Cc1ccc([C@H](Sc2ccccc2)[C@@H]2CCc3ccccc3C2=O)cc1 2106398 IQVOSGQJDGXWQF-VWNXMTODSA-N 358.506 6.274 0 40 FKAB Cc1ccc(Oc2ccc(NC(=O)c3cccc4ccccc34)cc2)cc1 2663424 CHMITXMTXSFDFN-UHFFFAOYSA-N 353.421 6.193 0 40 FKAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc2ccccc2c1 2737614 HKIPMBZFKKQTLN-KPKJPENVSA-N 352.231 5.254 0 40 FKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)cc4)c3c2c1 4969976 SASORNFFHFNVKQ-UHFFFAOYSA-N 363.464 6.112 0 40 FKAB CC(C)(C)c1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 5066211 ADULCYQLPJACQF-UHFFFAOYSA-N 355.441 5.782 0 40 FKAB O=C1c2ccccc2C(=Cc2ccc(-c3ccccc3)cc2)c2ccccc21 5948040 ZVZOSVZJYABUQZ-UHFFFAOYSA-N 358.440 6.487 0 40 FKAB Cc1ccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)cc1C 6966675 RYZIURMGNMQJHD-UHFFFAOYSA-N 370.909 5.011 0 40 FKAB CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1 8084631 QKNABQFGIAAGHL-BUVRLJJBSA-N 359.425 5.277 0 40 FKAB Cc1cc(CNC(=O)c2ccccc2SCc2ccsc2)ccc1F 10552339 SEIVMJQZRKYKAF-UHFFFAOYSA-N 371.502 5.418 0 40 FKAB O=C(c1cccc(F)c1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185220 UFROLIHXSWCQSX-KRWDZBQOSA-N 370.449 5.300 0 40 FKAB CC(C)c1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12 12407768 HFLOWQVLWMJVGN-UHFFFAOYSA-N 371.469 5.191 0 40 FKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 13675544 MOGGGCHBMUSPJR-UHFFFAOYSA-N 373.496 5.503 0 40 FKAB Clc1nc2ccccc2cc1CN[C@@H](Cc1ccccc1)c1ccccc1 14672875 IGVUGPUJYNUBQY-QHCPKHFHSA-N 372.899 5.962 0 40 FKAB O=Cc1ccccc1OCc1nc2ccccc2nc1-c1ccc(Cl)cc1 16449505 LVWXJOPMXGRMIB-UHFFFAOYSA-N 374.827 5.342 0 40 FKAB CCCCN(C(=O)Nc1cccc2ccccc12)c1ccc(C(=O)O)cc1 16638763 IWNBMHFTSFIJMN-UHFFFAOYSA-N 362.429 5.377 0 40 FKAB Clc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 16842523 NEFCRUJZCCWGBJ-UHFFFAOYSA-N 351.862 5.342 0 40 FKAB CCc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](C)C2 20796585 CNPSUISKPIIVHC-AWEZNQCLSA-N 363.436 5.082 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1 22053423 JWCRISOLSNXKIR-UHFFFAOYSA-N 357.335 5.096 0 40 FKAB CCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(CC)cc2)c1 27989711 MASFSZZMPGUTOC-UHFFFAOYSA-N 365.498 5.556 0 40 FKAB Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 33600830 XJUNXPLJKPMLHU-OAHLLOKOSA-N 356.680 5.145 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 38754150 VPINTKQKBGMROJ-CQSZACIVSA-N 358.652 5.443 0 40 FKAB Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1C 59117867 DWXOSLPHZPGISY-UHFFFAOYSA-N 350.940 5.036 0 40 FKAB CC(C)Sc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72217572 CLNOXWARQBZKFG-LJQANCHMSA-N 370.518 5.446 0 40 FKAB Brc1ccc(-c2nc3ccc(Br)cc3s2)cc1 73638914 AVGMWETZPMEOIJ-UHFFFAOYSA-N 369.081 5.488 0 40 FKAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222931659 SGFSZYABOWNXSG-HXUWFJFHSA-N 355.478 5.179 0 40 FKAB C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)CCC2 223157323 SDKGLPSZXADFHV-HLNOYYKJSA-N 367.492 5.593 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223664461 RWXVGIXLRGAMFJ-UHFFFAOYSA-N 353.506 5.090 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc(Cl)ccc2oc1=O 226041435 XOAXIGOVGSZUFA-UHFFFAOYSA-N 368.603 5.006 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 247438759 WRQLDKYQGFAFGI-ASTIPKKCSA-N 353.849 5.335 0 40 FKAB COc1ccccc1-c1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1 257273575 NHFZNUIWTYNTJL-AZJJULKRSA-N 366.501 5.235 0 40 FKAB Fc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 409206465 JWGBNVPSQXXICN-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB O=C(C[C@@H](SCc1ccco1)c1cccs1)c1ccc(Cl)cc1 703515 CWKHSMGWBXNSLJ-GOSISDBHSA-N 362.903 6.242 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 1048079 NHBLNEIPGMNBEK-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB CN(C)c1ccc(NC(=O)c2cc3sc4ccccc4c3s2)cc1 1103129 WZNNDTGVAQBILT-UHFFFAOYSA-N 352.484 5.434 0 40 FKAB CC(C)Sc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1245871 OMGJETSWRDXXLN-UHFFFAOYSA-N 357.548 5.742 0 40 FKAB CCCCOc1ccccc1NC(=O)COc1ccc(C)cc1C(C)(C)C 1777468 UOQJXVDWCXXFOX-UHFFFAOYSA-N 369.505 5.489 0 40 FKAB Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)ccc1C(C)C 2543557 XBGLNHADCMTWKD-UHFFFAOYSA-N 368.864 5.988 0 40 FKAB Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 3286485 UQDRGGFUGOKKML-UHFFFAOYSA-N 367.861 5.473 0 40 FKAB O=C(CCSc1ccccc1)Nc1nc2ccc3ccccc3c2s1 4078564 NCSDMULFQVPGAR-UHFFFAOYSA-N 364.495 5.570 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc(Cl)s1 4135312 QDFUEVQESVLWBD-UHFFFAOYSA-N 354.818 5.462 0 40 FKAB CCc1cccc(CC)c1NC(=O)CC(c1ccccc1)c1ccccc1 4143981 HENBAOOTNOFESS-UHFFFAOYSA-N 357.497 5.972 0 40 FKAB CCCCCCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 4603701 HUSVJMJTRILLKY-XSFVSMFZSA-N 367.420 5.129 0 40 FKAB CC(C)[C@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 4616747 TXCJJEBHNOEANT-QHCPKHFHSA-N 357.497 5.506 0 40 FKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccccc2C)ccc1O 4733778 DWQKTYDMIAWJIP-UHFFFAOYSA-N 359.429 5.076 0 40 FKAB Clc1ccc(Cc2cn3cc(-c4ccccc4)nc3s2)c(Cl)c1 5012458 VTJYIDNJLKUKFN-UHFFFAOYSA-N 359.281 5.960 0 40 FKAB COc1cc2nc(Nc3nc4c(C)cc(C)cc4s3)sc2cc1OC 5122747 BYTSVSYTQYGNSK-UHFFFAOYSA-N 371.487 5.284 0 40 FKAB COc1cccc(-c2coc3c(C)c4oc(=O)c(C(C)C)c(C)c4cc23)c1 5235604 HWJGZORFYZTRRX-UHFFFAOYSA-N 362.425 5.955 0 40 FKAB CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 5383902 LIUWRPDWBOKYEL-JOCHJYFZSA-N 356.469 5.755 0 40 FKAB Clc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 5459115 CTYAQJOUUZMTCJ-TZIWHRDSSA-N 359.860 5.836 0 40 FKAB CCCCCC1CCC(c2ccc(NC(=O)c3cccs3)cc2)CC1 5951069 OBNBZIDFUVHGNH-UHFFFAOYSA-N 355.547 6.855 0 40 FKAB CCOc1cccc(CNC2CCCCCC2)c1OCc1ccccc1 7539490 MDUHJZJWUULAIJ-UHFFFAOYSA-N 353.506 5.477 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 8040980 YOGOFMNCZPJBMJ-OAHLLOKOSA-N 358.652 5.443 0 40 FKAB CCOc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 8327661 HONPERJBWHBKSO-QGZVFWFLSA-N 361.441 5.158 0 40 FKAB O=C(/C=C/c1ccsc1)N1CCCC[C@@H]1c1nc2ccccc2s1 8345389 GYJQMXPURMWHML-ROJDOSBLSA-N 354.500 5.125 0 40 FKAB CC(C)Sc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 8498364 HGUGRTSSFOBRHO-UHFFFAOYSA-N 374.720 6.400 0 40 FKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9063531 JIKJQRUUJAIYPU-UHFFFAOYSA-N 368.496 5.019 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1Cl 9141809 ATYHOKPGSBKWKM-FPYGCLRLSA-N 360.162 5.664 0 40 FKAB C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 9514638 PNEIBBUVZTWOCQ-HNNXBMFYSA-N 368.864 5.503 0 40 FKAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1c(Cl)cccc1Cl 14230852 VFELHXWQCUIMND-AWEZNQCLSA-N 369.317 5.003 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(OC(C)C)c1 19931769 UKKVWMYKNGFXCF-GOSISDBHSA-N 363.910 5.637 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c(C)c1 22246046 HRKWWHHJNMGRCX-UHFFFAOYSA-N 369.465 5.512 0 40 FKAB Cc1cc(C)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C)c1 23330873 NRPOGNJAHPYLCU-UHFFFAOYSA-N 370.905 5.570 0 40 FKAB COc1ccc([C@H]2CCCN2CCC(=O)Nc2cccc3ccccc23)cc1 24746754 QQHNBFXUHMSWLD-HSZRJFAPSA-N 374.484 5.014 0 40 FKAB Cc1c([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)cccc1C(C)(C)C 30952905 SURFODPNQISRNM-HXUWFJFHSA-N 351.881 5.782 0 40 FKAB COc1ccc(Nc2ccc(NC(=O)c3cc(C)sc3C)cc2)cc1 40007587 WYOFXRRWRXWOKZ-UHFFFAOYSA-N 352.459 5.369 0 40 FKAB Cc1cc(C)n(-c2nc3ccc(-c4nc5ccccc5s4)cc3s2)n1 40542359 KWPVPXSJLRNBCR-UHFFFAOYSA-N 362.483 5.376 0 40 FKAB O=C(CSCc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 57996443 YJDXMMHFVIPHOQ-UHFFFAOYSA-N 359.800 5.231 0 40 FKAB C[C@@H](NC(=O)N(C)Cc1cccc2ccccc12)c1cc2ccccc2o1 72235988 GOWZWSQBKNXQIM-MRXNPFEDSA-N 358.441 5.489 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2cccs2)CC1 75157091 QMOLHYJPIJOAQL-UHFFFAOYSA-N 354.397 5.178 0 40 FKAB COc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1 107040571 QGVBFUBBBZFDMS-UHFFFAOYSA-N 369.464 6.040 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccccc2C(C)C)cc1 222811290 NYVPOQPCIMAIRH-NRFANRHFSA-N 369.505 5.101 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1cc2cc3ccccc3nc2s1 223131408 PPWUEWAAKFANJV-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB Cc1ccc(-c2nnc(NC(=O)CCc3ccc(C(C)C)cc3)s2)cc1 224185264 AMGYSKHASHFIBF-UHFFFAOYSA-N 365.502 5.208 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224294969 OQBFCCHXTNCMTR-MRXNPFEDSA-N 359.425 5.609 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COCCC)c2)cc1 224418690 KDMKANUPLZHNLB-UHFFFAOYSA-N 355.478 5.217 0 40 FKAB CC(C)Oc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 225307760 WYKKRXLQMFAVAS-UHFFFAOYSA-N 369.317 5.267 0 40 FKAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c3ccccc23)CCCC1 225829412 FSYCDSTZRAPYKE-MRXNPFEDSA-N 355.478 5.305 0 40 FKAB Nc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 226310553 PTOYSCNEFFWLLP-UHFFFAOYSA-N 372.664 5.091 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1 409101710 QQQCGAXLCPLDCR-UHFFFAOYSA-N 371.937 5.855 0 40 FKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 409225346 OORGJAAGWHTMLA-UHFFFAOYSA-N 357.862 5.116 0 40 FKAB FC(F)(F)c1ccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)nc1 1987972958 QFLUMJQUCAPCRJ-RTBURBONSA-N 368.358 5.360 0 40 FKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1CC 949014 XCJWKINIZLJQQG-UHFFFAOYSA-N 364.445 5.116 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccco1 974318 NOUVMNCCYBRSEM-UHFFFAOYSA-N 365.282 5.482 0 40 FKAB Cc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)C3CCC3)cc2c1 1367686 DNANNEXKTINUPK-UHFFFAOYSA-N 368.864 5.119 0 40 FKAB COc1cc2c(cc1OC)[C@@H](C(c1ccccc1)c1ccccc1)N(C)CC2 1617792 FWQAJQNEFXJSOZ-VWLOTQADSA-N 373.496 5.065 0 40 FKAB CCO[C@@]1(c2ccccc2)c2cccc3cccc(c23)[C@@]1(O)c1ccccc1 1654141 RRJHOZWINJAEKQ-UIOOFZCWSA-N 366.460 5.369 0 40 FKAB ClC1=C(Cl)[C@]2(Cl)C(c3ccccc3)=C[C@@]1(Cl)C2(Cl)Cl 1670560 YTYROSMTUXHMPY-NWDGAFQWSA-N 374.909 5.916 0 40 FKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 2260525 SXXGAGADOAAORZ-VWLOTQADSA-N 370.496 6.213 0 40 FKAB CCc1ccccc1NC(=O)c1oc2ccc(Br)cc2c1C 2628806 DAXFPTZMAVSQPR-UHFFFAOYSA-N 358.235 5.318 0 40 FKAB CC(C)c1ccc(SCc2c(-c3ccccc3)cn3ccccc23)cc1 3065147 CCVZZBWPEPRNIJ-UHFFFAOYSA-N 357.522 7.022 0 40 FKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(F)cc1F 3226341 CEZLRHPPFRTCHE-UHFFFAOYSA-N 371.770 5.102 0 40 FKAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1C(F)(F)F 3330836 ZTXJCJPURRWYGK-UHFFFAOYSA-N 371.358 5.390 0 40 FKAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1 3909374 NAUJWFFTWNDQPA-NSHDSACASA-N 366.383 5.097 0 40 FKAB CSc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 3909914 WZUMDEFCZCLWEZ-UHFFFAOYSA-N 371.937 6.121 0 40 FKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)CCC)cc3n2)cc1 4554818 ZNVKFMQZOIRDOK-UHFFFAOYSA-N 370.884 5.155 0 40 FKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(=S)nc[nH]c4c23)CO1 5563788 HLYIMFBSDAFBJF-UHFFFAOYSA-N 369.471 5.013 0 40 FKAB Cn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1 7235388 SBRCWVLHRWIEGL-QGZVFWFLSA-N 355.894 5.228 0 40 FKAB COc1cccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C)nn23)c1 7572472 NZJHASCGIHFZKX-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB O=C(/C=C/c1cccs1)N1CCCC[C@H]1c1nc2ccccc2s1 8074085 DCKGDFUZIQHWEC-OFAQMXQXSA-N 354.500 5.125 0 40 FKAB Cc1ccc(C)c(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 8594397 PJPHRPOVJSSXQE-OAQYLSRUSA-N 373.431 5.694 0 40 FKAB CCc1ccc(-c2nc(CSCC(=O)Nc3ccccc3)cs2)cc1 13012070 OVUQTRMDILCYOC-UHFFFAOYSA-N 368.527 5.244 0 40 FKAB COc1cc(C(=O)N(C)c2ccc3ccccc3c2)ccc1OCC(C)C 14196505 YHOLSGKJPLOYIB-UHFFFAOYSA-N 363.457 5.160 0 40 FKAB c1ccc(-c2nc(-c3ccco3)c(-c3ccco3)c3c2CCCCC3)nc1 26897043 PQKNVUTYXQKBLY-UHFFFAOYSA-N 356.425 5.933 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30751909 FVEXLUARTLEFAG-DNVCBOLYSA-N 373.924 5.672 0 40 FKAB Cc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 33526485 YLFLBDSZEKVWQZ-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CC(C)=C1OC(=O)C(C)(C)N2c3ccccc3C(c3ccccc3)=C(C)N12 38337655 WONODJYKIDGJRZ-UHFFFAOYSA-N 360.457 5.090 0 40 FKAB COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(-c2ccccc2)cc1 59483579 IRBNOPRMTUFGKW-LFIBNONCSA-N 369.464 5.355 0 40 FKAB OC1=Nc2ccsc2[C@H](c2ccc(OCc3ccccn3)cc2)SC1 71279078 WATVMPOPOJSFBC-SFHVURJKSA-N 368.483 5.146 0 40 FKAB CCc1cccc(CC)c1NC(=O)N1CC(Cc2ccccc2Cl)C1 75104669 MPPJKYRLEPAUIM-UHFFFAOYSA-N 356.897 5.171 0 40 FKAB O=C(c1c(F)cccc1Cl)N(CCc1cccs1)Cc1ccco1 75154764 AMPNOCPJOFEMAR-UHFFFAOYSA-N 363.841 5.019 0 40 FKAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(O)CSCc1cccc(Oc2ccccc2)c1 102447852 CULVDJPYQHYKQJ-SFYKDHMMSA-N 368.542 5.899 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1 219038543 HAIXXPFPOSBFMO-INIZCTEOSA-N 367.876 5.010 0 40 FKAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225044812 XOEXDNRLTRSVTI-UHFFFAOYSA-N 353.487 5.178 0 40 FKAB COc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1F 225388436 HVUYEBPEWBDWKG-UHFFFAOYSA-N 367.445 5.379 0 40 FKAB Cc1cc(NC(=S)N[C@H](C)c2ccccc2C)ccc1Br 225753126 WPBWPSOSLUYJTG-CYBMUJFWSA-N 363.324 5.114 0 40 FKAB COc1ccc(C2(NC(=S)Nc3ccc(C(C)C)cc3)CCCC2)cc1 225843512 QLIMERARZWUKKF-UHFFFAOYSA-N 368.546 5.575 0 40 FKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 248162198 HPZOHGFNBBOZSE-AYIQCDPPSA-N 371.571 5.386 0 40 FKAB O=C(O)CCCCCCCCCCCCc1ccc(Cl)c(Cl)c1 604220549 ZIKLOTUJDAFTKF-UHFFFAOYSA-N 359.337 6.912 0 40 FKAB Cc1cc(Cl)c(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1Cl 666421964 APCKBGSTXTVQIO-DYVFJYSZSA-N 371.308 5.115 0 40 FKAB Fc1cc(C(F)(F)F)cc(F)c1Oc1ccc(Br)cc1 1504250377 IVODULIJEOJYEB-UHFFFAOYSA-N 353.084 5.538 0 40 FKAB C[C@H]1C[C@@H](N(C(=O)c2cccc(F)c2)c2ccccc2)c2ccccc2N1 752663 BAQGXIWPKJJZLA-KSFYIVLOSA-N 360.432 5.418 0 40 FKAB Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N2C[C@H](C)C[C@@H](C)C2)c1C 1340837 GWEPPLDEGBEBBB-ZIAGYGMSSA-N 368.912 5.149 0 40 FKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1670991 OIHORBOMFNFQBP-YMWIJFBKSA-N 360.538 5.166 0 40 FKAB biogenic c1ccc2c(c1)Cc1cc(NNc3ccc4c(c3)Cc3ccccc3-4)ccc1-2 1719566 CAGLTNAOEQSKLI-UHFFFAOYSA-N 360.460 6.268 0 40 FKAB Cc1ccc2oc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cc(=O)c2c1 2420918 JASOWWZGFQDTCG-UHFFFAOYSA-N 371.219 6.335 0 40 FKAB CN(C)c1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 3195110 IFJAQXKEURKGPR-UHFFFAOYSA-N 352.522 5.600 0 40 FKAB CCc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1 3898220 ANZWKRPCIPJRIX-XMMPIXPASA-N 356.469 5.613 0 40 FKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CCCCC1 4072475 XSBCPCQIRLUNRT-UHFFFAOYSA-N 355.290 5.636 0 40 FKAB CSc1nc2ccc3nc(NC(=O)c4ccc(C)cc4)sc3c2s1 4134744 QGBXASPYHHMUEJ-UHFFFAOYSA-N 371.512 5.189 0 40 FKAB CC(C)(C)C1CCC(OC(=O)CCCC(=O)Nc2ccc(F)cc2)CC1 4689339 PHEKXCGQPMACNQ-UHFFFAOYSA-N 363.473 5.083 0 40 FKAB O=C(O[C@@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1 5682242 FFBGIFBVWIAEIA-XZOQPEGZSA-N 363.501 5.034 0 40 FKAB Clc1ccc(COc2ccccc2-c2ccnc(-c3ccncc3)n2)cc1 5771903 JUZGZLRXPKIHBK-UHFFFAOYSA-N 373.843 5.438 0 40 FKAB CCOCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8253190 HOABTGOWAWRLRH-UHFFFAOYSA-N 368.304 5.089 0 40 FKAB COc1ccc(NC(=O)[C@@H](C)SC/C=C/c2ccccc2)cc1Cl 9595788 SWIJNTZVKSLEGH-VIIAAUOXSA-N 361.894 5.122 0 40 FKAB CCOc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 13669553 FTQRAVZGAQEBIK-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB O=C(O)CCCCCCCCCCCCCCCCCCc1ccccc1 15443124 CZXWTZXPCXQSPH-UHFFFAOYSA-N 374.609 7.945 0 40 FKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc21 17072857 BKUUUHWTJKLYBM-UHFFFAOYSA-N 351.347 5.365 0 40 FKAB CC[C@@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1[C@@H](C)CC 19737626 XRMJWJCEFVDYMB-YJBOKZPZSA-N 365.439 6.488 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C 30873514 VNYDABOUQXJHPA-MRXNPFEDSA-N 354.302 5.811 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CCC2=O 34596097 NIXXKMPUWREKQR-BOLBSKSFSA-N 372.549 5.430 0 40 FKAB biogenic,in-vitro Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 38754046 BZGKJNROFGXRJS-TVXVBNPNSA-N 361.872 5.567 0 40 FKAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2cccc3ccccc23)[nH]n1 44838186 NGHBQKZCHHAPCU-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 58160736 JCHBHBKSLCALMO-LJQANCHMSA-N 372.512 5.518 0 40 FKAB O=C(Nc1ccccc1)[C@@H](Nc1nc2ccccc2s1)c1ccccc1 65487679 CBMUKRTYKPMUDO-IBGZPJMESA-N 359.454 5.088 0 40 FKAB COC(=O)C1=C(Nc2ccc(Cl)cc2)C=C(C)C[C@@H]1c1ccccc1 66091571 XJUNJZUJLREKOI-GOSISDBHSA-N 353.849 5.313 0 40 FKAB C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=C[C@@H]2O 71789079 YWHIUZLVKVDQAM-YCXOGWGTSA-N 360.497 5.259 0 40 FKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Cl)cc1Br 199829374 WCKMFEAVBNAGKB-ZDUSSCGKSA-N 360.679 5.175 0 40 FKAB Cc1ccc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 222758294 GZEFFXVQSHMBHU-UHFFFAOYSA-N 363.482 5.305 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(C)C)cc1 222905713 UDHMMYHMNGIAFS-OAQYLSRUSA-N 353.506 5.904 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222971752 CEMMBBXYXFWWED-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 223442390 MGHOKLAOWJZLNQ-ZWKOTPCHSA-N 373.924 5.527 0 40 FKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 224934979 LNZDUPVYOFGIJJ-UHFFFAOYSA-N 374.937 5.451 0 40 FKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 225679380 BHXLNLNHHLGEJV-UHFFFAOYSA-N 373.496 5.997 0 40 FKAB Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1Br 408621924 MMEJGHCGVPNUBL-UHFFFAOYSA-N 374.665 5.816 0 40 FKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)cc3)cc2)cc1 408677538 RKWMAEWKPYKSGX-UHFFFAOYSA-N 372.468 5.640 0 40 FKAB CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 957211 HJBSRCXVTWUFLB-CCEZHUSRSA-N 373.452 5.158 0 40 FKAB O=C(c1ccccc1)c1ccccc1-c1ccccc1C(=O)c1ccccc1 1765628 GJYFRBOEHCWJKA-UHFFFAOYSA-N 362.428 5.816 0 40 FKAB Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3047467 LPYWWPAEVVAXBC-UHFFFAOYSA-N 356.494 6.344 0 40 FKAB CC(C)CC[C@H](C)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 3347168 VXTMZQVWNLVGRB-INIZCTEOSA-N 359.897 5.474 0 40 FKAB CCSc1nc(-c2ccccc2)nc2c1Cc1c(ccc3ccccc13)O2 4315018 KJNKHDTXXZJVMC-UHFFFAOYSA-N 370.477 6.105 0 40 FKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c(C)c1 4723951 KAELPEKHLFZWPJ-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB CC(C)CSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 5100462 XDSAPHANPXYJSW-DHZHZOJOSA-N 368.527 5.696 0 40 FKAB O=C(c1cccs1)N(Cc1ccccc1)c1nc2c(F)cccc2s1 5299689 GOSOYMRABUBSGO-UHFFFAOYSA-N 368.458 5.344 0 40 FKAB O=C(c1ccccc1)[C@H]1Nc2ccc(Cl)cc2[C@H]2c3ccccc3C[C@H]12 6514723 XUTQDVBWBVTKPY-NNWRFLSQSA-N 359.856 5.321 0 40 FKAB CCn1c(S[C@@H](C)c2nc3ccccc3s2)nnc1-c1ccoc1C 8316401 IMNFWEKINNJYRP-LBPRGKRZSA-N 370.503 5.329 0 40 FKAB CC(C)COc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11074543 XYEHVWUIPWIIRP-UHFFFAOYSA-N 374.484 5.132 0 40 FKAB Cc1ccc(-c2cc(NC(=O)c3oc4ccc(F)cc4c3C)on2)cc1 11914745 TZIJGPFGOZRQPU-UHFFFAOYSA-N 350.349 5.096 0 40 FKAB CCCCc1ccc(NC(=O)CC(=O)Nc2ccc(CCCC)cc2)cc1 12410938 UXGXINOHNPFMNC-UHFFFAOYSA-N 366.505 5.339 0 40 FKAB c1coc(-c2cc(CN3CCc4sccc4[C@H]3c3cccs3)no2)c1 12916074 WTEKBWLOYKDVKF-IBGZPJMESA-N 368.483 5.205 0 40 FKAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2ccc(F)cc2)o1 14198736 PCLCRDUFPISHHI-INIZCTEOSA-N 371.408 5.192 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)C[C@H]1OC(=O)c2ccccc21 14473361 LDCWSLSMYUCDCE-LJQANCHMSA-N 351.446 5.174 0 40 FKAB C[C@@H]1CCc2c(sc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15085192 NLMOBQMMOIAEES-YGRLFVJLSA-N 365.420 5.366 0 40 FKAB CCCCOc1ccccc1C(=O)Nc1ccc(OCC)c2ncccc12 15840867 XSIVIFOBAJMZTE-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 22259174 CEPQSMVJTMOGAP-UHFFFAOYSA-N 366.486 5.354 0 40 FKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 22534172 UQTCSIPZLZBSMN-UHFFFAOYSA-N 367.470 5.403 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(SC(F)F)cc3)no2)cc1 27580961 ULSRPKCMBLSDNF-UHFFFAOYSA-N 360.385 5.217 0 40 FKAB COc1ccccc1Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 35167674 OJPYTLKJTKVONE-NTCAYCPXSA-N 374.871 5.917 0 40 FKAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc(F)cc(F)c1)C1CC1 58700943 LDOCNPOEGYDFCG-NSHDSACASA-N 369.333 5.349 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1NC1CCCCC1 72214047 GLOWWJPETAKXFP-SFHVURJKSA-N 359.514 5.288 0 40 FKAB CSc1ccc(CCC(=O)NCc2ccccc2-c2ccsc2)cc1 96383314 GZZNTLOJGVEOKG-UHFFFAOYSA-N 367.539 5.386 0 40 FKAB CCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 100003481 WGFSWBDOBWRRQU-KDURUIRLSA-N 366.501 6.378 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 216322471 OTLVBULNWMHVRG-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB O=C(NCc1ccc(F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 216337718 KIPBHDPYSHQMMW-XSFVSMFZSA-N 365.835 5.336 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)c(Cl)c1 222914430 KGDBOEIGIJOHNB-LJQANCHMSA-N 359.897 5.742 0 40 FKAB O=C(Nc1cc(Cl)ccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 224056392 CVFRQCOMZAUKRU-UHFFFAOYSA-N 366.635 5.085 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccccc1 225502969 CPTTUZIPKIDWPC-HXUWFJFHSA-N 366.917 5.724 0 40 FKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2ccccc2c1 225532017 JJBJSTUQWYSWQT-HSZRJFAPSA-N 359.469 5.515 0 40 FKAB Cc1cccc([C@H](NC(=S)Nc2c(F)cccc2F)c2ccccc2)c1 225699824 PWJKJLBVSPFFNK-LJQANCHMSA-N 368.452 5.349 0 40 FKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)c2ccccc12 225803454 GRMCSPGQMJUWIJ-QHCPKHFHSA-N 371.521 5.943 0 40 FKAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(C(F)(F)F)c2)c1 408772462 LSWPYIKPTFHRSC-UHFFFAOYSA-N 353.409 5.194 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 408780550 DHJAHMDSDLHZOO-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB Cc1cccc(C)c1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408925825 QTMLTEZGEVEXRK-HMMYKYKNSA-N 361.872 6.136 0 40 FKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(OCC)cc1 409117451 NOVXUUPWRDBPLG-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB Fc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1 409195888 RSZQBHDLERPTJY-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB CCc1cc2c(SCc3ccc(Cl)cc3Cl)ncnc2s1 641535 CIGXUCLJJBZCSS-UHFFFAOYSA-N 355.315 5.853 0 40 FKAB Cc1ccc(NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc1 970890 VBCJOCGDNZQATQ-UHFFFAOYSA-N 364.514 5.595 0 40 FKAB FC(F)(F)c1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 1098203 VAKYJUHHMHLOSR-IBGZPJMESA-N 373.399 6.656 0 40 FKAB CCOP(=O)(OCC)OC(=C(Cl)Cl)C(Cl)(Cl)Cl 1737556 WBXNZQKPPIDPJP-UHFFFAOYSA-N 366.392 5.201 0 40 FKAB CCCCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 1814478 AYJXLBXEHAAFKY-UHFFFAOYSA-N 373.547 5.291 0 40 FKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)c3ccccc3n2)cc1 1861728 GSTDQFNQPQQZIM-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 3893584 CXFJJLIBCDTDHF-UHFFFAOYSA-N 354.475 5.426 0 40 FKAB O=C1NC(=O)/C(=C\c2ccccc2Oc2ccc(Cl)cc2Cl)S1 4050217 METPZWLXKKBBOY-VGOFMYFVSA-N 366.225 5.110 0 40 FKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)[C@H](O)c1ccccc1 4403837 IUZXDEIEFTZAQM-VEYUFSJPSA-N 362.557 6.554 0 40 FKAB biogenic Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1Cc1ccccc1F 4932936 BWWKNRZYEXVORV-UHFFFAOYSA-N 357.452 5.132 0 40 FKAB C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cc2C1 6083377 DUZKSUHSKDKTPP-LLVKDONJSA-N 368.329 5.452 0 40 FKAB CCCCC/C=C/C/C=C/CCCCCCCCCCCC(=O)OC 6591924 UPIRHFZFPVEDCF-ZDVGBALWSA-N 350.587 7.533 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc(Cl)ccc1Cl 6815562 ZYEUNDHOROAYGJ-UHFFFAOYSA-N 369.679 5.499 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1C 6966732 LFVJUJXWZNXQLJ-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1Cl 7763715 VBINVWXJWJNRLB-NSHDSACASA-N 361.923 5.848 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 8060935 MKDUULDIFIGFBV-UHFFFAOYSA-N 360.841 5.472 0 40 FKAB Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 10351492 DRELNXFERBLPRW-MGPUTAFESA-N 356.897 5.025 0 40 FKAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl 12676607 KTYUYCLBYJNXIG-YVEFUNNKSA-N 363.288 5.061 0 40 FKAB CC(C)COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1 12901517 RLKJMHHLCXXTBO-UHFFFAOYSA-N 352.459 5.097 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2csc(-c3ccco3)n2)c1 12920877 FDUNGYYBFOPYON-CQSZACIVSA-N 372.515 5.280 0 40 FKAB COc1ccc(OC)c(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 40096283 JVXFVXKWQAHDIZ-UHFFFAOYSA-N 370.493 5.272 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351352 IXPUWZMXXGSPNT-GCJKJVERSA-N 367.533 5.636 0 40 FKAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102612897 OSTLLWRZYOJDGD-QTOWHEFOSA-N 365.542 5.461 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc(C)c1Cl 137734992 NFBVZDDNIBMXJO-UHFFFAOYSA-N 365.860 5.226 0 40 FKAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 218921648 KGOYMHUYWOJJMR-INIZCTEOSA-N 373.924 5.511 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COCC(C)C 224736638 KIHYCATUVSFYFR-UHFFFAOYSA-N 361.869 5.164 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225517702 XBCZVFZRIUDXAS-QGZVFWFLSA-N 369.480 5.762 0 40 FKAB CCCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@@H](C)C1 225665674 JLBUYDSHFOJCFT-HXOBKFHXSA-N 373.537 5.630 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2cccc(OC(C)C)c2)C(C)C)c(C)c1 225765950 VLACCFMAWYXWLM-OAQYLSRUSA-N 370.562 5.774 0 40 FKAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c2ccccc12 225833684 TUXPYUPUONHPCB-AOMKIAJQSA-N 355.478 5.162 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2F)c1 228955886 CNUAGDLBVBMPRV-UHFFFAOYSA-N 370.346 5.621 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 257265818 MALLRKUVIJXYLQ-FPOVZHCZSA-N 360.501 5.119 0 40 FKAB O=C(NC1CCCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 409025310 SXYKXBHZMBNBPP-CAPFRKAQSA-N 353.893 5.720 0 40 FKAB Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccccc3)sc2C)cc1 409197333 BVAYYAXEMWXYIZ-UHFFFAOYSA-N 364.470 5.029 0 40 FKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 585265471 MVMLHDLLNUGINZ-UHFFFAOYSA-N 359.853 5.232 0 40 FKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(C)cc3)c2c1 1892499 VOZCNTRCFVSDQV-WNAAXNPUSA-N 369.464 6.212 0 40 FKAB CCCCNC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2105761 GHVBPCSXZOONJF-UHFFFAOYSA-N 352.865 5.394 0 40 FKAB Cc1cc(-c2ccc(NC(=O)C(C)C)c(C)c2)ccc1NC(=O)C(C)C 2757039 FAEHOXPJZHDHPA-UHFFFAOYSA-N 352.478 5.159 0 40 FKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccc(F)cc1F 3116610 GKVWBTIDSIKUJW-UHFFFAOYSA-N 373.399 5.649 0 40 FKAB Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)oc2c(Cl)cccc12 3282376 YOSSZYKINBJDIO-UHFFFAOYSA-N 353.727 5.666 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1 3339592 HBIUKEQVARXFCW-UHFFFAOYSA-N 351.446 5.846 0 40 FKAB Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1 3447740 OYBYBYRPENJHEL-UHFFFAOYSA-N 367.499 5.176 0 40 FKAB COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(C)cn23)cc1 3909797 MKOAZOXWCWDHOM-UHFFFAOYSA-N 368.440 5.543 0 40 FKAB C[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110314 YENHYTINCMYKIP-GAZPGATBSA-N 362.966 6.072 0 40 FKAB Clc1ccc2c(c1)[C@@H](O[C@H]1CN3CCC1CC3)c1ccccc1CS2 4146718 BMQGWQJMFCYXPU-FPOVZHCZSA-N 371.933 5.146 0 40 FKAB CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 4578909 GLGSPOATOUUCTE-GKAYAJSDSA-N 354.490 5.063 0 40 FKAB CC(C)(C)c1ccc(COc2ncc(COc3ccccc3)s2)cc1 5383875 VEYULBSUFXHRDN-UHFFFAOYSA-N 353.487 5.599 0 40 FKAB COc1cc2c(cc1NC(=O)Nc1ccc(F)cc1F)oc1ccccc12 5526698 ZYXNRXWZAZUKES-UHFFFAOYSA-N 368.339 5.517 0 40 FKAB CCc1cccc(C)c1NC(=O)COc1ccc(C2SCCS2)cc1 5584199 IMLFGMZMRCYWQL-UHFFFAOYSA-N 373.543 5.054 0 40 FKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc(F)c1 5685201 YMOVSFPYIPETKV-UHFFFAOYSA-N 374.440 5.869 0 40 FKAB Clc1cccc(Cl)c1CSc1nnc(/C=C/c2ccccc2)o1 5772219 FBZCJGMFDNCPAE-MDZDMXLPSA-N 363.269 5.839 0 40 FKAB Fc1nc(F)c(F)c(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1F 5775647 GFJVYHGPUOYEKX-UHFFFAOYSA-N 369.321 5.158 0 40 FKAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c1C 5937360 LWDWWSPIDJGGMT-UHFFFAOYSA-N 362.429 5.187 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6168283 KCCRHWBPIJZZGL-VHDAVVJTSA-N 369.549 5.300 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1 6205106 FGLSELKOWCUGSW-UHFFFAOYSA-N 365.542 5.908 0 40 FKAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(OCc2ccccc2)c1 6231881 BQHVRTWTUGYILI-HSZRJFAPSA-N 357.453 5.073 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 6289097 HBZHSIBAUJWICE-UHFFFAOYSA-N 356.252 5.513 0 40 FKAB CCn1c(SCc2cc(C)ccc2C)nnc1-c1c[nH]c2ccccc12 6791925 HOOHGQIELQKGJF-UHFFFAOYSA-N 362.502 5.355 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccccc1SCc1ccccc1 7684608 SGXXYPHBBUPXJR-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB CCc1ccc([C@H](NC(=O)c2ccc(F)cc2F)c2cccs2)cc1 8062279 JEEATOUNKJMXJF-IBGZPJMESA-N 357.425 5.108 0 40 FKAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl 8923749 YVKKVTZIFPPNLA-UHFFFAOYSA-N 369.100 5.334 0 40 FKAB O=C(CCCc1nc2ccccc2s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 8944579 HFRIFKFQQYDGPT-GVDBMIGSSA-N 356.535 5.094 0 40 FKAB Cc1ccc(CC(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 10700540 OHEMMJCJQUBFPB-UHFFFAOYSA-N 364.495 5.514 0 40 FKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3cc4ccccc4o3)o2)cc1 12887902 BTHWKTZPTYITKT-CQSZACIVSA-N 373.408 5.386 0 40 FKAB COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(C)C 13059848 MXKVIDCEDRFFAX-JXMROGBWSA-N 373.880 5.344 0 40 FKAB CC(C)[C@H](C[C@]1(Cc2ccccc2)CCOC(C)(C)C1)NCc1ccco1 13682158 ZYXKVLNBYOOWPU-LADGPHEKSA-N 369.549 5.602 0 40 FKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccccc1C 16362733 OAHQINOFZUCMMA-IBGZPJMESA-N 361.485 5.433 0 40 FKAB CCn1c(-c2ccccc2)c(C)s/c1=N\c1cccc(C(F)(F)F)c1 16711508 YQSRSVBDZYZHNO-NKFKGCMQSA-N 362.420 5.796 0 40 FKAB Fc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1 17072663 JKWYLFCYPUAXPI-UHFFFAOYSA-N 350.343 5.624 0 40 FKAB CCCCNc1nc(Nc2cccc(C)c2)c2cnn(-c3ccccc3)c2n1 17270479 MBOKJLTUMAGWPH-UHFFFAOYSA-N 372.476 5.080 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C 20489429 FFYJNFOCQVAHEP-INIZCTEOSA-N 354.302 5.811 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 21311979 LWOIAGFCYHLCBM-AWEZNQCLSA-N 365.395 5.543 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(-c2c(C)[nH]c3ccccc23)cs1 22459829 HFXUVWCZXIDIOS-UHFFFAOYSA-N 361.470 5.089 0 40 FKAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@H](C)c3cccs3)c(C)c12 23199994 WOVMCOQLCWKKLU-LLVKDONJSA-N 373.547 5.158 0 40 FKAB Cc1c(C(=O)N(Cc2cccc(F)c2)Cc2ccco2)oc2ccccc12 28231972 OGBRLGITUYZBQG-UHFFFAOYSA-N 363.388 5.316 0 40 FKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC2CCCCC2)n1 36614075 AYJUQMADMSVIAU-UHFFFAOYSA-N 355.791 5.560 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39748170 BCRWRTSJGKVWQX-UHFFFAOYSA-N 368.496 5.108 0 40 FKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)c(C)c3)oc12 67339506 XVVOVFWXPIJLSY-VOTSOKGWSA-N 355.821 5.364 0 40 FKAB Cc1cc(NC(=S)Nc2cccc(Cl)c2F)ccc1Br 71760644 KKPHVDMVRIXNFJ-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C 72214741 GADIMLFFPZYYPJ-SFHVURJKSA-N 361.530 5.026 0 40 FKAB CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 222804714 BRBILLDSFPASSU-HSZRJFAPSA-N 359.469 5.222 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1C(C)C 223330064 PRMPAYIWLWGTMO-ZWKOTPCHSA-N 369.505 5.080 0 40 FKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(C)cccc1C(C)C 224618779 UAMROGNFYZALBF-QFIPXVFZSA-N 365.517 5.793 0 40 FKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2c(ccc3ccccc32)o1 224956073 HKGUITKGGXPCRB-UHFFFAOYSA-N 370.452 5.829 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(C)c1 225476166 SYQIVYZJUYYUAI-YLJYHZDGSA-N 369.505 5.162 0 40 FKAB CCCOc1c(Br)cc(CNc2ccccc2C)cc1OC 314372763 RULFJVYUCUPMRR-UHFFFAOYSA-N 364.283 5.167 0 40 FKAB CCOc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408994877 HLJRZHDJKPBDBM-GAMLAWPCSA-N 363.457 5.080 0 40 FKAB CCCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 409099644 RPORWBSQYHNLHK-UHFFFAOYSA-N 361.873 5.440 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 409174119 SCMIGTCLUHNQGW-GFCCVEGCSA-N 354.302 5.099 0 40 FKAB Cc1cccnc1CNc1cccc2c1[C@@]1(CCc3cccc(C)c31)CC2 1857524194 OBIUYOCWLNBFBH-VWLOTQADSA-N 354.497 5.489 0 40 FKAB CCc1ccccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C 881261 PBXFDSWLEKPNEO-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3F)nc2c1 924409 LULNAQGIKJRWNX-UHFFFAOYSA-N 354.450 5.030 0 40 FKAB Nc1ccccc1Nc1c(Cl)c(Cl)nc(Cl)c1C(F)(F)F 1418720 KLURZDKIMZTXAN-UHFFFAOYSA-N 356.562 5.386 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3)c2c1 1508254 YGUHBUJPDYEQLP-UHFFFAOYSA-N 352.437 5.140 0 40 FKAB Cc1ccc(NC(=O)N2c3ccccc3S[C@H]2c2ccco2)c(C)c1 1573825 RVVYLXMIGDRGQU-IBGZPJMESA-N 350.443 5.739 0 40 FKAB CCCCCc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 1832244 XZWDVXZRWHVUPK-UHFFFAOYSA-N 361.272 5.425 0 40 FKAB C[C@H]1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)S1 1856214 ABCRPRBTFLEVML-NSHDSACASA-N 363.845 5.009 0 40 FKAB O=P1(O)[C@@H](c2ccccc2)OC(c2ccccc2)O[C@@H]1c1ccccc1 2019616 VXTLIEBHUAJBHQ-SFTDATJTSA-N 366.353 5.400 0 40 FKAB Cc1nc2sc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c2c(C)c1C 2151562 BUUJNWIOMQZERM-UHFFFAOYSA-N 372.493 5.702 0 40 FKAB CC(C)c1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1 2310694 NRUWXRFDZKOLJS-UHFFFAOYSA-N 372.899 7.188 0 40 FKAB Clc1ccc(Sc2ccc(Sc3ccc(Cl)cc3)nn2)cc1 3257171 RWLDZUYQUAMWJV-UHFFFAOYSA-N 365.310 6.086 0 40 FKAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc4ccccc4c3)c(O)cc12 3491325 UXNQCLUHTQGXQI-UHFFFAOYSA-N 359.425 5.189 0 40 FKAB O=C(O)c1cc(-c2ccc3noc(-c4ccccc4)c3c2)nc2ccccc12 4539321 CVTOLDORLPLJGZ-UHFFFAOYSA-N 366.376 5.408 0 40 FKAB CCCCCC(=O)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 6264003 QAAHBKSXHYNREQ-MRXNPFEDSA-N 364.489 6.527 0 40 FKAB CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1cccc2ccccc12)CC3 7700640 MBODIBPEPUXJLV-FOWTUZBSSA-N 358.466 5.118 0 40 FKAB CCN(CC)c1ccc2nc(C)c(CN(CC(C)C)CC(C)C)c(O)c2c1 8717357 DRSXJWRYLVIEEC-UHFFFAOYSA-N 371.569 5.209 0 40 FKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 15086005 BWKMQZMQPAZYCZ-IBGZPJMESA-N 367.449 5.215 0 40 FKAB C/C=C\C(=O)N(c1ccc(N(C(=O)/C=C\C)[C@H](C)CC)cc1)[C@@H](C)CC 16891909 VCKUTQXWHQGXHO-SWCMYNNLSA-N 356.510 5.102 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(Cl)cc1 19933178 RERPFPYLSSGKMP-NRFANRHFSA-N 367.876 5.309 0 40 FKAB CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 20038453 HFTCYRWSTHYXNA-INIZCTEOSA-N 372.317 5.059 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Cl 20485871 YQHHWGRSBCUFPD-FXAWDEMLSA-N 373.924 5.628 0 40 FKAB Brc1ccc(Nc2c(-c3cccs3)nc3ccccn23)cc1 35622393 VTZDKDISYQVDMN-UHFFFAOYSA-N 370.275 5.569 0 40 FKAB Cc1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc1 35644229 BIQODEOOGGORRI-OVCLIPMQSA-N 363.269 5.193 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(C)cc1 38757183 ACYKEJCBMKSCGQ-XMMPIXPASA-N 357.497 5.661 0 40 FKAB Cc1cc(C(=O)N(C)C2CCCCCC2)cc(C)c1OCc1cccnc1 58394301 LVTOSGUJJHFIKN-UHFFFAOYSA-N 366.505 5.072 0 40 FKAB Fc1c(Cl)cccc1NC(=S)Nc1ccccc1Br 71760639 AIOWFNKHPJHSDJ-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1Br 72194475 VNMFYEMDLQQLSM-UHFFFAOYSA-N 370.290 5.825 0 40 FKAB C[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc2S1 88222758 SBWYYQXPFTVXQH-LLVKDONJSA-N 358.513 5.013 0 40 FKAB CC(C)c1ccc(C2=C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 102047996 AANZDOQGIADGLK-IBGZPJMESA-N 350.853 5.111 0 40 FKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)n1 170564429 ABJGWJBUSDNXRQ-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB C[C@H]1CCC[C@H](C)N1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216841111 UIFJBXWTFLRWMI-GJZGRUSLSA-N 354.881 5.911 0 40 FKAB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 218911324 KHFLMERPWUFMJX-KRWDZBQOSA-N 361.485 5.394 0 40 FKAB CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 223265150 YUVRCKYXCLMHDL-UHFFFAOYSA-N 355.887 5.073 0 40 FKAB Cc1cccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)c1C 223939272 ZZTGKKNZDUQZKM-UHFFFAOYSA-N 373.496 5.021 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2cccnc12 225859650 HDJVMWAWXWDMAQ-UHFFFAOYSA-N 374.484 5.473 0 40 FKAB Cc1ccc(-c2csc3ncnc(Oc4cccc5cccnc45)c23)cc1 710422 CTFCXIKAWTUGIM-UHFFFAOYSA-N 369.449 6.007 0 40 FKAB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1ccc(F)cc1 944834 NNLXVACXPGZSAB-QFIPXVFZSA-N 357.384 5.320 0 40 FKAB CC(C)(C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 1899469 FURGCGIXXOSXEW-UHFFFAOYSA-N 370.452 6.092 0 40 FKAB CCCCC[C@H](C)NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2086515 MMCMZEGBVBPOIC-SFHVURJKSA-N 360.501 5.909 0 40 FKAB C[C@H](NCC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)c1ccccc1 2134467 SFBCUWBQBAYOEK-GBXCKJPGSA-N 351.534 5.545 0 40 FKAB biogenic O=P1(NC2CCCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205468 DPLSKGUYOIPKHG-UHFFFAOYSA-N 365.413 6.214 0 40 FKAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Br)cc2)o1 3212773 MKFZGQSLRUFPPO-WJDWOHSUSA-N 366.214 5.202 0 40 FKAB CC(C)(C)c1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 3256677 NIYABQGPWJWCPU-UHFFFAOYSA-N 352.459 5.485 0 40 FKAB Nc1ccccc1Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 3336090 HRYVJTWMPJASSO-UHFFFAOYSA-N 360.848 5.519 0 40 FKAB O=C(Nc1ccc(F)cc1)[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 3420594 GLJYVJAOPRIBRX-PKTZIBPZSA-N 374.459 5.173 0 40 FKAB O=C(CSc1nc2ccccc2cc1CC1CCCC1)c1ccccc1 4857787 BSAZADYCPUCBPY-UHFFFAOYSA-N 361.510 5.943 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccccc3C)ccc21 6226178 CABXBNLMEDGXPS-QGZVFWFLSA-N 372.468 5.529 0 40 FKAB Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1 6590077 RMSRNNIVFLVVCY-IAGOWNOFSA-N 350.487 5.517 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1ccccc1)c1ccccc1 6795419 SNRWTPCAIXZURG-FIPQWBAWSA-N 355.481 5.365 0 40 FKAB Cc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)cc1 6845369 UAUXIECJPYLYMJ-UHFFFAOYSA-N 373.452 5.047 0 40 FKAB COc1ccc(NCc2ccccc2Oc2ncnc3sccc23)cc1 7275713 YTEWPZFZBCHEPE-UHFFFAOYSA-N 363.442 5.104 0 40 FKAB COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl 7668584 WWSISPSWZHTWBM-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB CC[C@H]1CCCCN1Cc1c(C)nc2ccc(OCC(C)C)cc2c1O 8717499 XKLMCFBOUQZMRQ-KRWDZBQOSA-N 356.510 5.048 0 40 FKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(Cl)cc1 9417476 VVPVBJMZZYNFHH-CNELAYHGSA-N 356.878 5.183 0 40 FKAB Cc1cccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C 12936055 LSUZJVMILLDGGC-UHFFFAOYSA-N 350.466 5.005 0 40 FKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1/C=C/c1ccccc1 13759585 MHPOIPJBSNLYKQ-OFYULWLWSA-N 351.453 5.755 0 40 FKAB Fc1ccc(CNCc2c(OCc3ccccc3)ccc3ccccc23)cc1 16480645 OJSLXICOMWZSAS-UHFFFAOYSA-N 371.455 5.848 0 40 FKAB Cc1ccc2oc(C(=O)N(Cc3ccccc3)c3ccccn3)c(C)c2c1 16750610 UDUQIANHQRXBBG-UHFFFAOYSA-N 356.425 5.292 0 40 FKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1occc1-c1ccccc1 22678000 XPCGUULHDDQPHJ-UHFFFAOYSA-N 359.347 5.238 0 40 FKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)cc1 23680497 ZVZZXDURCCRAKE-UHFFFAOYSA-N 369.852 5.085 0 40 FKAB O=C(CCC1CCCCC1)N1CCCC[C@H]1c1nc2ccccc2s1 24383971 PSPVCYNSZCGYSJ-SFHVURJKSA-N 356.535 5.710 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1Cl 40913288 KSYTWRMABDFJCC-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(F)cc1F)C1CC1 58700907 ARIOTSDWYXHJSF-NSHDSACASA-N 369.333 5.349 0 40 FKAB O=C(Nc1ccccc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 61429378 AHOMZCMXFIKYAQ-UHFFFAOYSA-N 374.827 5.914 0 40 FKAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)cc2Cl)n1 69323942 JYTNIJLVRYJMIG-HNNXBMFYSA-N 369.317 5.055 0 40 FKAB Cc1ccc(-c2nnc(CN3CCCc4cc(C(F)(F)F)ccc43)o2)cc1 95356866 SHVYXLOHELJERC-UHFFFAOYSA-N 373.378 5.017 0 40 FKAB Clc1ccc(COc2ccc(CNc3ccccc3)cc2)c(Cl)c1 107031313 KSGCCUUFWQBABB-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1C(C)C 223377304 AENLSOSOBJZYFV-SFHVURJKSA-N 353.506 5.164 0 40 FKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)nc2c1 225261068 JOQYBAIWQVOTQN-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c2ccccc12 225858964 QBRDOAFVRRXJQQ-JOCHJYFZSA-N 355.478 5.162 0 40 FKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 408563402 VRNFLUHRCKNMCE-QOCHGBHMSA-N 374.868 5.079 0 40 FKAB C[C@@H](CC(=O)c1ccc(Br)c(C(F)(F)F)c1)CC(C)(C)C 575362635 PECCLHBDWCMLHP-JTQLQIEISA-N 365.233 6.113 0 40 FKAB C[C@@H](NC(=O)c1cc2occc2s1)c1ccccc1Oc1ccccc1 1776005012 XFEVLTWBSINTBI-CQSZACIVSA-N 363.438 5.778 0 40 FKAB Clc1ccc(CSc2nnc(Cc3ccccc3)o2)cc1Cl 868714 RRFWBVWCQQINTL-UHFFFAOYSA-N 351.258 5.260 0 40 FKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Cl)c1 1064312 UIEROXIDAHVXMZ-XFYPZNOGSA-N 373.883 5.822 0 40 FKAB Cc1ccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c(C)c1 2182978 NKWJLVHGMFIAPA-UHFFFAOYSA-N 374.391 5.155 0 40 FKAB Cc1sc(Nc2ccccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 4679970 BHTOJMJHLMMKME-UHFFFAOYSA-N 369.704 6.822 0 40 FKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)cc1 4970016 VIVWRDFJSZUMDS-UHFFFAOYSA-N 357.363 5.519 0 40 FKAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1 5140357 UDERETUPSOSGOU-ISKFKSNPSA-N 370.452 5.246 0 40 FKAB Cc1cccc(-c2c(NC(=O)C3CCCCC3)n(C)c3ccccc3c2=O)c1 5306705 QZBDYDMRJSJUMF-UHFFFAOYSA-N 374.484 5.033 0 40 FKAB c1ccc(CNc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 5348686 GIAWOYBXRMSGDQ-UHFFFAOYSA-N 357.369 5.355 0 40 FKAB CC(C)Cc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 5908802 VADOPYZYWXHOLL-UHFFFAOYSA-N 364.514 5.580 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)C)cc1 6561422 MZJXKJYKYHMJBW-OALUTQOASA-N 366.549 5.783 0 40 FKAB O=C(NC1CCCCCCCCCCC1)c1cccc(C(F)(F)F)c1 6925921 RKZMRHNFGSVMOO-UHFFFAOYSA-N 355.444 6.109 0 40 FKAB Clc1ccc(COc2ccc(CNCc3ccccc3Cl)cc2)cc1 16449741 PYDMMBAAHBWKBA-UHFFFAOYSA-N 372.295 5.862 0 40 FKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 20455025 BDLNKYCBFVURGJ-MGPUTAFESA-N 357.469 5.158 0 40 FKAB O=C(CCN1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl 22199312 BYYSHIMOMKDGCU-OAHLLOKOSA-N 369.317 5.221 0 40 FKAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c(F)cccc3s2)cc1 25716266 PUTYWQWXFJOZEX-QGZVFWFLSA-N 355.434 5.026 0 40 FKAB S=C(Nc1ccccc1)c1c(-c2ccc(Cl)cc2)cn2ccccc12 27752606 YDOSDVUSJHMBGB-UHFFFAOYSA-N 362.885 6.047 0 40 FKAB Cc1ccc2nc(-c3ccc(NC(=O)CCc4cccnc4)cc3)sc2c1 29473608 GHENEYHNJIDALT-UHFFFAOYSA-N 373.481 5.238 0 40 FKAB COC(=O)c1c(-c2csc(-c3sccc3C)n2)c(C)n(C2CC2)c1C 32808917 MVAUMZWAEMHWOO-UHFFFAOYSA-N 372.515 5.387 0 40 FKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 33725810 WBRLCTAFYXPVRU-UHFFFAOYSA-N 370.688 6.422 0 40 FKAB FC(F)(F)c1nc(N[C@H]2CCSc3ccccc32)c2ccccc2n1 70040791 UULJVMWUFJXFFH-AWEZNQCLSA-N 361.392 5.298 0 40 FKAB CC(C)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C(C)C 72212982 KHUDMFJGFBZGMZ-QFIPXVFZSA-N 351.538 5.432 0 40 FKAB O=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 75282877 ONLJFYAQSLBDDB-UHFFFAOYSA-N 355.796 5.310 0 40 FKAB Fc1cccc2c1SCC[C@H]2NCc1cc(-c2ccccc2)cs1 84560167 JGIBGSUWWOQKEH-LJQANCHMSA-N 355.503 5.881 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C(C)(C)C)cc3)cc2)c1 108034463 FKPBJSAAUXNQDQ-UHFFFAOYSA-N 374.480 6.091 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12 222873042 NRBZNMLKBCCBFX-QHCPKHFHSA-N 369.464 5.467 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224967168 GZUUOZRYDUWSBG-NRFANRHFSA-N 366.505 5.090 0 40 FKAB Cc1cc(C)c(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c(C)c1 225136488 CSJSWENBPPZNNN-HSZRJFAPSA-N 360.453 5.354 0 40 FKAB CCC[C@@H](C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191738 TVABPEXGBSPPQT-GFCCVEGCSA-N 365.955 5.361 0 40 FKAB Cc1cccc([C@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2)c1 225600149 VOTWEKOGMVSWCD-XMMPIXPASA-N 369.508 5.713 0 40 FKAB Cc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1Cl 225852454 ARMMLYAYVHEGOO-UHFFFAOYSA-N 358.938 5.713 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc(Cl)c1)N2 245380739 JSDSWYFAEKEBDJ-ROILNYFKSA-N 353.849 5.335 0 40 FKAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 408587139 QYNNYSCFMNKCPG-UHFFFAOYSA-N 374.436 5.182 0 40 FKAB Cc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccccc2)cc1 408829214 FCRNMXNAHJXYKZ-UHFFFAOYSA-N 371.465 5.433 0 40 FKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408831357 PGIIVFDEEKQFFH-UHFFFAOYSA-N 364.272 5.718 0 40 FKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Cl 409018075 XFUCINUCEZLCCB-GIBJHAEVSA-N 367.898 5.352 0 40 FKAB Cc1cccc(NCc2ccccc2OCc2ccccc2Cl)c1C 409118277 ZJOWDCMJLCUSAG-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCCc2ccccc21 853518 DXTUCZUMIZAMJN-UHFFFAOYSA-N 362.281 5.801 0 40 FKAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Cl 854199 KJNDJXDULCDDEB-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB CCOC(=O)Nc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1 1562588 AMNADWIXFLTXEV-UHFFFAOYSA-N 364.879 5.669 0 40 FKAB COc1ccccc1C(=O)c1ccccc1Cc1cccc2ccccc12 1654324 XRSUKYHOFHZYED-UHFFFAOYSA-N 352.433 5.670 0 40 FKAB CCc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc12 1768697 ODNDYEVJUTVLKP-UHFFFAOYSA-N 359.860 6.256 0 40 FKAB CCCCCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1 2054778 KSYSSPTWDYDIPQ-UHFFFAOYSA-N 350.462 5.925 0 40 FKAB COc1ccc(C)cc1N(C(=O)C1CCCC1)c1nc2ccccc2s1 3547590 FLUJJYGHJOZPDV-UHFFFAOYSA-N 366.486 5.468 0 40 FKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccccc1F 4678639 SVOFIZRHXQPZHG-UHFFFAOYSA-N 357.432 5.505 0 40 FKAB CC[C@@]1(C)C[C@@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1 4822036 JUGAGURZUCFILE-GOTSBHOMSA-N 355.497 5.223 0 40 FKAB Cc1ccccc1C(=O)N(c1ccc(F)cc1)c1nc2ccccc2s1 4980025 AWXFUQKRQASBLO-UHFFFAOYSA-N 362.429 5.722 0 40 FKAB Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)o1 5001946 XIXDEHVDPQQSSP-UHFFFAOYSA-N 362.360 5.301 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC[C@H](C)C2)c(C(C)C)c1 5676022 JOWGGWZAKQKXBV-KRWDZBQOSA-N 365.583 5.477 0 40 FKAB Cc1ccc(CSc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 6211929 HASGMXVNQVRBRM-UHFFFAOYSA-N 361.392 5.158 0 40 FKAB O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 6344152 GRGUQHZNRPKOLS-QFIPXVFZSA-N 364.828 5.050 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 6775812 RGKDUNWLUWCUPU-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 7073099 OQFVIGYFADKKPX-MRXNPFEDSA-N 359.469 5.469 0 40 FKAB Cc1ccccc1NC(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11689796 HNZLYSHHCGULCU-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc4cccnc34)o2)cc1 12938122 NNPBNSQUYMAVSE-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB Cc1ccc2cc(CNc3ccc(OCc4ccccc4)cc3)c(=O)[nH]c2c1 13561359 MQWPADFXGHIWAI-UHFFFAOYSA-N 370.452 5.028 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)oc2c1 15833239 HSUFISGWAIIYQA-SNVBAGLBSA-N 354.475 5.192 0 40 FKAB COc1ccccc1Oc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1 16303741 ZCYGCNHSHSSNOA-UHFFFAOYSA-N 366.417 5.160 0 40 FKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1F 17075014 PZJZBYPMCXKDMC-UHFFFAOYSA-N 365.187 5.750 0 40 FKAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4s3)c2C1 19817327 OGWJYBJXSZWUDS-HNNXBMFYSA-N 373.481 5.012 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312163 WSLJUZKSGQKHKD-IBGZPJMESA-N 373.374 5.655 0 40 FKAB Cc1c(C(=O)CSc2ncnc3ccsc23)sc2ccccc12 24713427 SIURDVIXUCQNJF-UHFFFAOYSA-N 356.497 5.189 0 40 FKAB CCCCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 27664002 PPFUEIPPOROTKL-UHFFFAOYSA-N 350.418 5.163 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 30852148 CNDJWLFASXLDNQ-KRWDZBQOSA-N 371.999 5.393 0 40 FKAB CC[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(OC)cc1 30860642 SKCIXHXWWRNVSO-SGXRDAIWSA-N 371.480 5.503 0 40 FKAB c1ccc(-n2c(SCc3nc4ccccc4o3)nc3c2CCCC3)cc1 32564521 GKBYMWWNPWOEJW-UHFFFAOYSA-N 361.470 5.185 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)c(C)c1 44935033 XMUFVQKKMDKWQI-HXUWFJFHSA-N 364.533 5.170 0 40 FKAB COc1ccccc1NC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 59950462 UICNTNPEWBMNJZ-MRXNPFEDSA-N 361.445 5.512 0 40 FKAB Cc1c(-c2ccccc2)sc2nc(-c3cc(F)c(F)c(F)c3)[nH]c(=O)c12 63837088 ZPHSRTLDZKFISJ-UHFFFAOYSA-N 372.371 5.044 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 102027777 HLZNOJRSHYTLRA-KNDCIPHXSA-N 353.849 5.335 0 40 FKAB c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2cccn2)cc1 113771249 YGEDFNCNIQNZNA-UHFFFAOYSA-N 362.436 5.392 0 40 FKAB O=C(Nc1ccccc1Cl)Nc1ccccc1-c1cn2ccsc2n1 206908423 QELZFWJWMZWQRU-UHFFFAOYSA-N 368.849 5.360 0 40 FKAB O=C(Nc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 216571622 QAZWLIKITDDJOP-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 222873132 ILXWMZMNQXFLFF-XMMPIXPASA-N 369.464 5.467 0 40 FKAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(C)C 223259606 AQLJLXCIFZQNKJ-INIZCTEOSA-N 351.490 5.107 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224969529 MAGXGQCZOSHQKT-FQEVSTJZSA-N 372.896 5.126 0 40 FKAB Cc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1Cl 225806541 IKSBNEQAEIAFBB-UHFFFAOYSA-N 360.954 5.691 0 40 FKAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4ccccc34)nc2c1 226269252 QFDQDRALCOXWFQ-UHFFFAOYSA-N 370.330 5.173 0 40 FKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1Cl)N2 226333548 MSLRJSCPYNQFKI-AFVSYHSFSA-N 353.849 5.335 0 40 FKAB COc1ccc(-c2ccc(C(=O)Nc3c(C)cc(C)cc3N)o2)cc1Cl 226348703 NIHHMSZXEBTLDK-UHFFFAOYSA-N 370.836 5.060 0 40 FKAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 408628845 DHZNMCRBERUHRK-SFHVURJKSA-N 366.505 5.206 0 40 FKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1 639365 JWNZKHBGYMZUBL-DQRAZIAOSA-N 362.454 5.099 0 40 FKAB Clc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)cc1 639617 XSZSPGUINNFXLF-LSDHQDQOSA-N 366.873 5.744 0 40 FKAB Cc1cc(C)c2nc(C(F)(F)F)nc(NCc3ccc(Cl)cc3)c2c1 937299 STMLZZMJWJYWPL-UHFFFAOYSA-N 365.786 5.531 0 40 FKAB O=C(Nc1sc2c(c1CN1CCCCC1)CCCC2)c1ccc(F)cc1 948455 YQHCTLBIEIKPSC-UHFFFAOYSA-N 372.509 5.004 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSCc2ccco2)cc1 1085567 SIQJRKYEMGWHAM-UHFFFAOYSA-N 357.862 5.619 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 1392114 ABPRAGYKVFBDCZ-UHFFFAOYSA-N 360.891 5.194 0 40 FKAB Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1C 2079459 VNLFRAYGCACSRI-UHFFFAOYSA-N 367.448 6.046 0 40 FKAB Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 2452730 IYPAYXGXZLJQCB-DHZHZOJOSA-N 363.530 5.585 0 40 FKAB Cc1c(C)c(C)c2c(C)c(Br)c(Br)c(C)c2c1C 3122089 BLHNDBOWFWXDFE-UHFFFAOYSA-N 370.128 6.215 0 40 FKAB CC(C)c1cc(C(C)C)c(NC(=O)[C@@H](C)Cc2ccccc2)c(C(C)C)c1 3180104 MAWIXXLTKRRJSI-IBGZPJMESA-N 365.561 6.874 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCCCC1 3312117 ZHMHWVZSZRJAGG-UHFFFAOYSA-N 362.498 5.996 0 40 FKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 3403862 IKIXGOUFUUSMGH-UHFFFAOYSA-N 356.878 5.262 0 40 FKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1Cc1ccc(Cl)cc1 3644741 NSFMPXIMRSLCTH-UHFFFAOYSA-N 351.755 5.396 0 40 FKAB CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCCS1 4214460 YCNTYPIGYVTFBO-HZPDHXFCSA-N 374.590 7.121 0 40 FKAB in-man CSc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 4251153 AOQGMMIDXIVRQT-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB COc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3 4578418 MMIFJFRUEUWBJS-UHFFFAOYSA-N 364.444 6.198 0 40 FKAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 5033311 MMRIGZNJXFRZRJ-UHFFFAOYSA-N 355.821 5.559 0 40 FKAB CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC1CCCCC1 5510423 OFSPDNIHQQKLPZ-AVQMFFATSA-N 361.614 7.249 0 40 FKAB CCc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 7814879 VWAJRTKTEHKETR-UHFFFAOYSA-N 364.514 5.922 0 40 FKAB COc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(F)cc23)cc1 8024053 UVHFZWMVFQXPNV-UHFFFAOYSA-N 369.399 5.388 0 40 FKAB Cc1ccc(SCCCC(=O)Nc2nc(-c3ccncc3)cs2)cc1 10217893 YXQJDQJPTVCMMT-UHFFFAOYSA-N 369.515 5.025 0 40 FKAB Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C/c1ccccn1 12524996 KSBZMBWEPDHXJC-OUKQBFOZSA-N 359.860 5.612 0 40 FKAB C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1cccc(C(F)(F)F)c1 12686235 NFDRKVGJRMTBDE-ZETCQYMHSA-N 368.207 5.565 0 40 FKAB Cc1cc(C)cc(OCCSCCCC(=O)Nc2c(C)cccc2C)c1 13018173 DRNZTIUGPLGVRR-UHFFFAOYSA-N 371.546 5.451 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5cccc(C)c5)(C4)C2)C3)cc1 18113704 QDAJPLFGAHNWPN-KVEMZPMDSA-N 359.513 5.780 0 40 FKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 19691179 LZTPSSHEJNBYCJ-UHFFFAOYSA-N 374.459 5.216 0 40 FKAB Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20494551 IKOJQQYKLOTLMF-QHCPKHFHSA-N 361.510 5.301 0 40 FKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1Cl 20899698 CUFSAOSNTBOYKN-UHFFFAOYSA-N 368.664 5.025 0 40 FKAB CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCCN2)c(Cl)c1 42771147 QESCJCPREYPAOA-IBGZPJMESA-N 357.925 5.577 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 44881023 VMQCWXLOLRMYRF-UHFFFAOYSA-N 372.635 5.076 0 40 FKAB FC(F)Sc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 58407024 MPDLDLADFWLAJJ-OAHLLOKOSA-N 374.456 5.522 0 40 FKAB O=C(CCNc1ccc(NCCC(=O)c2ccccc2)cc1)c1ccccc1 59371460 FHWNNHIEWBJHDR-UHFFFAOYSA-N 372.468 5.056 0 40 FKAB CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 100003920 FOOZRIVWYIQQMM-BGYRXZFFSA-N 350.502 6.678 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118916906 YWHWYTRNKBGSRE-QTECUETRSA-N 370.665 8.418 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 216361270 UFOUUXJMNQVQGK-WOJBJXKFSA-N 359.897 5.401 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1C 219303404 SPFCFCSDUVAKGK-PZJWPPBQSA-N 353.506 5.264 0 40 FKAB COc1ccc([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222692936 CGMTWVYIIPFPIQ-AWEZNQCLSA-N 363.910 5.098 0 40 FKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1 225344457 IJQYMZDXYDEVMY-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccccc1Oc1ccccc1 225448537 PMZSFDKEJFLUBW-UHFFFAOYSA-N 373.456 5.041 0 40 FKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc2ccccc2c1 225818224 AVVNXWMRZCARCC-UHFFFAOYSA-N 359.853 5.504 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 250576091 OFLWCQNVMZPNAV-BVKOHWRASA-N 361.485 5.805 0 40 FKAB CN(C(=O)NC(=S)c1cccc2ccccc12)c1ccc2ccccc2c1 408732051 OPTWCDYIIXKWCB-UHFFFAOYSA-N 370.477 5.515 0 40 FKAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)c2ccccc21 409114191 DJASZMFKOIWIJK-QNGOZBTKSA-N 373.427 5.312 0 40 FKAB Cc1cc(C)cc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 637576 NXNYJRGLJXXUIN-SJJOOFSGSA-N 352.305 5.098 0 40 FKAB Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1Cl 663217 CWJWQWOKLIZCGY-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)[C@@H](C)c1ccccc1 1321372 QGOAJGBPGUDRQY-WMZHIEFXSA-N 361.485 5.606 0 40 FKAB biogenic Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(C)c2)cc1 1839298 CCCITRVUVIDATQ-UHFFFAOYSA-N 371.263 6.496 0 40 FKAB Cc1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 2230491 PYTOLKMVMDXBJD-UHFFFAOYSA-N 361.257 5.135 0 40 FKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 2764067 KVGZGCXJVSWHQB-UHFFFAOYSA-N 367.832 5.180 0 40 FKAB O=C(c1cn(CCOc2ccc(F)cc2)c2ccccc12)C1CCCCC1 3655929 STLBQXJBLCTVHK-UHFFFAOYSA-N 365.448 5.622 0 40 FKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(C(C)=O)=CC[C@]4(C)[C@@H]3CC[C@]12C 4292910 CPCJRYTXAKLNNM-KBGGNQAYSA-N 358.522 5.086 0 40 FKAB O=C1N(c2ccccc2)C(=O)N(c2ccccc2)[C@@H]2c3ccccc3C=CN12 4866199 RUFDSRVLOIDPKF-OAQYLSRUSA-N 367.408 5.238 0 40 FKAB CC(C)(C)c1ccc(C2=NN=C(c3ccccc3)c3ccccc3N2)cc1 5825368 MBJMGOMZSMDUQQ-UHFFFAOYSA-N 353.469 5.609 0 40 FKAB COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 6301372 MZCZGRBGYPFYJP-UHFFFAOYSA-N 355.821 5.478 0 40 FKAB Cc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(Cl)c1 6844370 MQWODBKFESVWGI-UHFFFAOYSA-N 351.258 5.472 0 40 FKAB CN(Cc1cccs1)c1ncnc2scc(-c3ccc(F)cc3)c12 7780245 AGRJTHUCLQPOEJ-UHFFFAOYSA-N 355.463 5.195 0 40 FKAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C(C)C)cc1 9614996 GHYBJBCXYFHSRO-UHFFFAOYSA-N 365.502 5.118 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1cccnc1Sc1ccc(Cl)cc1 9641723 WTRRSTQYIGQGCV-UHFFFAOYSA-N 372.852 5.586 0 40 FKAB CCCCCc1ccc(-c2ccc([C@@H]3CC[C@@H](CCC)[C@@H](C)C3)cc2)nc1 13943990 BEBHGHCGTNWFFH-NIRIFSCTSA-N 363.589 7.801 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 14013267 LJLLHWULPBQKDN-QFIPXVFZSA-N 361.441 5.583 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 14411286 VFLRTERRFOWNBO-NTCAYCPXSA-N 365.885 6.143 0 40 FKAB Cc1cc(-c2cs/c(=N\c3ccccn3)n2-c2ccccc2)ccc1F 17167554 ONOBQXYGNADERY-FLFQWRMESA-N 361.445 5.281 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=O)CCSc2ccccc2)cc1 20457230 WHLSFXOFQBIAJA-FQEVSTJZSA-N 357.519 5.081 0 40 FKAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 20633005 AHCZRPUPWSDBBI-INIZCTEOSA-N 350.849 5.055 0 40 FKAB Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)c(Cl)c2)c1 27739908 JOSWYODWDBLCKU-UHFFFAOYSA-N 355.890 5.865 0 40 FKAB Clc1ccc(C2=N[C@@H](C3CCCCC3)N3[C@@H]2[C@H]3c2ccccc2)cc1 34895831 YWYLMPYWIUGPLF-YKSPXJAFSA-N 350.893 5.475 0 40 FKAB COc1ccc(C)cc1[C@@H](CC(=O)N(C(C)C)C(C)C)c1ccccc1 38278827 BXYCIYQHBLEYJW-FQEVSTJZSA-N 353.506 5.171 0 40 FKAB in-vitro O=C(COc1cccc2ccccc12)N[C@H](c1ccccc1)C1CCCC1 67192427 ZZPXCXBSKSCHII-XMMPIXPASA-N 359.469 5.266 0 40 FKAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 71761241 DNWIADOASMVFPM-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3C=C4C=CCC[C@]4(C)[C@@H]3CC[C@@]21C 90768788 KMOZZJKTWNSBHG-LTRSYTFFSA-N 354.622 7.804 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2ccccc21 113950560 CVTOBJOLLVPBBK-DHIUTWEWSA-N 359.469 5.191 0 40 FKAB Cn1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 210201422 YIXMNEWXZOOBQO-LICLKQGHSA-N 368.845 5.073 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cccc(OCc2ccccc2Cl)c1 216572923 AXNNFJFMSTUDKX-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(C)c(C)c1 219046833 SUYCYTUYCOHQOF-XMSQKQJNSA-N 361.485 5.491 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(SC)c1 222917072 AJVPTKQVWOYRFI-IBGZPJMESA-N 357.519 5.502 0 40 FKAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc2c(c1)CCCC2 223133568 YRCRNUUCGRMGGH-IBGZPJMESA-N 357.881 5.109 0 40 FKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1CSc1ccccc1 224654918 NVZARNRPZKNJPV-UHFFFAOYSA-N 369.530 5.250 0 40 FKAB Fc1ccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225548483 WTBBELUSNONDSI-UHFFFAOYSA-N 372.509 5.066 0 40 FKAB CCc1ccc(CC)c(CNC(=O)c2cc3c(ccc4ccccc43)o2)c1 225621750 DOUFOJFPZZHCMR-UHFFFAOYSA-N 357.453 5.641 0 40 FKAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225753207 ACMTWHZGHDHDPN-NSHDSACASA-N 372.843 5.715 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1C 225756323 QYYNNAIBNMTSRW-INIZCTEOSA-N 363.324 5.195 0 40 FKAB CCOc1ccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1 225845084 JJTZYHAKIUMOGG-UHFFFAOYSA-N 374.937 5.495 0 40 FKAB CCCO[C@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]12C)OCCO5 253610304 XXOMRYJCPZNLCW-LAAXVVMPSA-N 374.565 5.488 0 40 FKAB COc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 409117805 NFBZGSVALQEKRY-UHFFFAOYSA-N 369.464 6.040 0 40 FKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 1775975285 GNYBOVGEGSJLCP-JQWIXIFHSA-N 366.260 5.531 0 40 FKAB COc1ccc(C(=O)N(c2ccccc2)[C@H]2C[C@@H](C)Nc3ccccc32)cc1 832680 MFBDWJPPFCAIQR-HXOBKFHXSA-N 372.468 5.287 0 40 FKAB CC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(C)cc1 975681 LDAILEPIAICNNJ-GHTZIAJQSA-N 362.494 5.763 0 40 FKAB CCc1ccccc1NC(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12 1022751 AUFKOIQMEYGAAB-HNHZEOAVSA-N 367.492 5.875 0 40 FKAB Cc1ccccc1-c1noc(-c2c(-c3ccccc3Cl)noc2C)n1 1509645 IMFVRAHICBRVCM-UHFFFAOYSA-N 351.793 5.329 0 40 FKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(C(C)C)cc2)cc1 2061997 WAVOSKNTUSJWMY-UHFFFAOYSA-N 370.540 6.452 0 40 FKAB CC(C)(C)c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 2668913 MRWVKYULJASDJE-UHFFFAOYSA-N 370.496 5.961 0 40 FKAB O=C(/C=C/c1ccccc1)OCCOc1ccc(Oc2ccccc2)cc1 3029174 KWTLKCNANCSWFP-LFIBNONCSA-N 360.409 5.114 0 40 FKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccs4)nc32)cc1 3257673 ZWBIZQJIFQCHRW-UHFFFAOYSA-N 373.403 5.785 0 40 FKAB Cc1csc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 3279863 PIPHGVDCRUOGID-UHFFFAOYSA-N 370.524 5.373 0 40 FKAB COc1ccc2oc(C(=O)Nc3nc(-c4cccs4)cs3)c(C)c2c1 3432920 QLQBXVKCAYSWIW-UHFFFAOYSA-N 370.455 5.187 0 40 FKAB Cc1ccc(C(=O)c2c(NC(=O)c3cccc(C)c3)sc(C)c2C)cc1 4129671 SHUZZCKOIBIDGC-UHFFFAOYSA-N 363.482 5.465 0 40 FKAB CCC(CC)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4267362 CBGGJAQVAKYHIE-UHFFFAOYSA-N 368.408 5.199 0 40 FKAB CC(C)(C)c1cc([C@H](c2ccncc2)N2CCCC2)cc(C(C)(C)C)c1O 5481516 XPKQZVBYMQCQSB-NRFANRHFSA-N 366.549 5.567 0 40 FKAB CCc1ccc(-c2csc(NC(=O)[C@H](CC)Oc3ccccc3)n2)cc1 6124655 PJUGQQUCJGFOQG-IBGZPJMESA-N 366.486 5.169 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 6224760 KOYAPJDOOUIURQ-UHFFFAOYSA-N 360.034 5.113 0 40 FKAB CCOc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 7684779 SBAFBLSUQNVGNF-UHFFFAOYSA-N 363.482 5.630 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2Cl)cc1 11914724 VITQZTOULFTIJJ-UHFFFAOYSA-N 371.889 5.322 0 40 FKAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1Cl 12248890 JABCVBUJFXEFGS-UHFFFAOYSA-N 371.270 5.080 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OC 14429311 KOSLGWKUQTYFHG-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)cc1C 17120440 LABJOCMEILQNES-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1 17208664 XCDQUHZRANCXHU-GOSISDBHSA-N 357.457 5.058 0 40 FKAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1coc(-c2ccc(Cl)cc2)n1 23355984 CRMQEOZEKBEYNI-LBPRGKRZSA-N 362.807 5.466 0 40 FKAB ClC(Cl)(Cl)c1cc(C(Cl)(Cl)Cl)c2ccccc2n1 32099673 XITQDHMQIVKTSO-UHFFFAOYSA-N 363.886 5.888 0 40 FKAB Cc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 36616761 NDPSOKSZXAMLMH-UHFFFAOYSA-N 371.337 5.554 0 40 FKAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1c(Cl)cccc1Cl 58217818 IQWHZMMEERKKIH-QFIPXVFZSA-N 367.219 5.461 0 40 FKAB CN(C)c1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 67321949 WDPSZAJEFNZZRT-UHFFFAOYSA-N 374.307 5.382 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(C(C)C)cc1 219323103 SQJBNVUPGGQUBJ-FQEVSTJZSA-N 373.924 5.370 0 40 FKAB O=C(NCc1ccc2ccccc2c1)c1cccc(OCc2ccccc2)c1 222787793 BMZHBLFCPRIARI-UHFFFAOYSA-N 367.448 5.349 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(C)cc1 222930982 QJLDMZSZAXAQRD-QFIPXVFZSA-N 367.533 5.199 0 40 FKAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2O1 223849917 DYQHRSYZPZJMGM-KQDNUWKFSA-N 369.892 5.552 0 40 FKAB C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 224988526 ODXJDHBLHHDCBZ-HNNXBMFYSA-N 373.924 5.672 0 40 FKAB CC(C)Oc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225356695 IUIXPQGBPCICBC-UHFFFAOYSA-N 352.261 5.352 0 40 FKAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 226284558 MSRKJTHUONXUOW-UHFFFAOYSA-N 368.742 5.063 0 40 FKAB Fc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)c(Cl)c1 226307794 ABMDQMCGAINNKG-UHFFFAOYSA-N 358.869 5.378 0 40 FKAB CCN(CC)c1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1Br 226332197 DNTCNVDTBWYZQY-UHFFFAOYSA-N 372.310 5.455 0 40 FKAB O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1cccnc1Cl 408676159 GILWWBBIHUCVNE-UHFFFAOYSA-N 359.212 5.433 0 40 FKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(SC)cc2)cc1 409000682 ZMYNQYGJWRDLCY-QFIPXVFZSA-N 374.509 5.742 0 40 FKAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1ccc(CNc2ccccc2)cc1 621894856 BNPOTHKKYWZQOO-PZJWPPBQSA-N 370.443 5.453 0 40 FKAB Nc1ccc(Br)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250388 JRUPHVBXQHZVRW-UHFFFAOYSA-N 368.099 5.121 0 40 FKAB COc1ccc(-c2c(C)c3cc(Cl)cc(Cl)c3oc2=O)cc1OC 1080956 OLMFBYFLBDJHIF-UHFFFAOYSA-N 365.212 5.092 0 40 FKAB biogenic CCCOc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1OC 1934689 YQRCUZJNLQVTLA-UKTHLTGXSA-N 361.441 5.289 0 40 FKAB Cc1c([C@@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1C 2110976 MYYWIDVMDOBZME-KNQAVFIVSA-N 360.501 5.046 0 40 FKAB biogenic CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1cc(C)cc(C)c1)C3 2123555 KSHNIGXKYRPJPU-UHFFFAOYSA-N 363.457 5.109 0 40 FKAB biogenic Oc1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc2ccccc12 2176620 DIZFALNYAXGZEC-UHFFFAOYSA-N 362.432 6.270 0 40 FKAB O=C(Nc1ccc(OC(F)F)cc1)C(c1ccccc1)c1ccccc1 3190187 XJBSMBZOVPZFIN-UHFFFAOYSA-N 353.368 5.059 0 40 FKAB CSc1ccc(Cl)c(C(=O)OCc2c(Cl)cccc2Cl)c1 3341687 JXJBROYYMTUSSF-UHFFFAOYSA-N 361.677 5.726 0 40 FKAB CC(=O)[C@@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 4081718 HVHYRVHDTSSVNF-UPMLCCBHSA-N 368.561 5.462 0 40 FKAB biogenic CCN(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 4785644 YQZJWOZCQJLDGZ-RPWUZVMVSA-N 365.561 5.888 0 40 FKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C(F)=C(F)F 5750949 AWUGBSODAQALNP-COPBIKPMSA-N 366.423 5.360 0 40 FKAB Cc1nc(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)cs1 5834085 UQNGVAQWZMYBEA-UHFFFAOYSA-N 372.302 5.024 0 40 FKAB CC(=O)n1c(SCn2c(=S)sc3ccccc32)nc2ccccc21 9667823 XHOLWHZNVMHCME-UHFFFAOYSA-N 371.512 5.192 0 40 FKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc2ccccc12 11326494 QLOPCXIRNUJFNY-UHFFFAOYSA-N 360.388 5.205 0 40 FKAB Cc1ccc(-n2c(SCc3ccncc3)nnc2-c2ccccc2)cc1C 12546947 VJMXPOGNIMYZEK-UHFFFAOYSA-N 372.497 5.238 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)c1 12635592 FRZNXIAPSIRHHY-HNNXBMFYSA-N 365.502 5.174 0 40 FKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 14258459 SWSWCVDXXYWJMV-UHFFFAOYSA-N 358.869 5.238 0 40 FKAB Brc1ccc(OCc2ccccc2)c(CNC2CCCCC2)c1 16480502 IRFXYRRHWMSOAK-UHFFFAOYSA-N 374.322 5.450 0 40 FKAB C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)c1nc(C(C)(C)C)no1 24046546 ZMIXZRSWINQOAI-LLVKDONJSA-N 362.886 5.060 0 40 FKAB Cc1ccc(C)c(NC(=O)c2ccccc2-c2nc3ccccc3s2)c1 41155092 TYHTYJATCJWSQE-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccn(-c2ccc(F)cc2)n1 46669810 CINVPMKTLBTWAB-UHFFFAOYSA-N 372.403 5.007 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351559 JHLNADCOBHDTNL-JXFKEZNVSA-N 359.897 5.300 0 40 FKAB CCN(CC)[C@@H](CNc1cc(C)nc2ccccc12)c1ccccc1Cl 89967830 XEFDPPIMBFAPMA-QFIPXVFZSA-N 367.924 5.692 0 40 FKAB CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223074005 FOUVNQOCSDIJES-HSZRJFAPSA-N 365.517 5.300 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1C(C)C 223320049 ZGKFUQNDRDOSKH-GOSISDBHSA-N 369.505 5.000 0 40 FKAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1Cl 224804209 JVFFOYJQIUDAQP-NRFANRHFSA-N 365.860 5.176 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1C 225716566 AYZDSWFGDHMSIU-FQEVSTJZSA-N 356.535 5.528 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C)n1 225861095 MIAZPZWEIIKDQU-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB CCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@H]1CCCCCCCCCC(=O)OCC 256089338 PEZIQWVKZYIKRH-BURNTYAHSA-N 368.558 5.566 0 40 FKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409137531 WZSPTJMPLCHLMB-WOJGMQOQSA-N 354.475 5.093 0 40 FKAB Cc1ccc(-c2nc3ccccc3n2OCc2c(F)cccc2Cl)cc1 1396563 WSLSHCGAGPHXLJ-UHFFFAOYSA-N 366.823 5.433 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 2093582 JEMLKYTWMIRVTA-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB CC(C)c1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 2919344 MSWWFYOZJZSEDP-MSOLQXFVSA-N 370.859 5.340 0 40 FKAB Cc1ccccc1-[n+]1cc(-c2ccc(C(C)(C)C)cc2)n2c1SCCC2 3229498 OSTWTECNRRWHTR-UHFFFAOYSA-N 363.550 5.534 0 40 FKAB c1ccc(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)cc1 5390941 GXFKHXXAXYNQBJ-JOCHJYFZSA-N 359.450 5.773 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 6304852 WPAHCDKAFCRBFI-UHFFFAOYSA-N 358.652 5.443 0 40 FKAB Cc1ccccc1N[P@@]1(=O)OCCCN1Cc1ccc(Cl)cc1 6523262 SUXIXFFDAWGPIE-HSZRJFAPSA-N 350.786 5.091 0 40 FKAB O=C(O)c1cc(/C=C/c2ccc(-c3ccccc3)cc2)nc2ccccc12 6566113 CNHHGLAWUZXGBT-NTCAYCPXSA-N 351.405 5.770 0 40 FKAB CCC(CC)c1nn2cc(-c3ccc(Br)cc3)nc2s1 6748242 FOXFNSWKJGQKHI-UHFFFAOYSA-N 350.285 5.124 0 40 FKAB CCc1cccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 7504072 UNGVBBCOESLRSG-NRFANRHFSA-N 355.441 5.501 0 40 FKAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)s1 7995476 MVBJLDCKQYEHEH-UHFFFAOYSA-N 369.515 5.015 0 40 FKAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 8049222 SRKNSJTVIITLEB-UHFFFAOYSA-N 352.261 5.308 0 40 FKAB CC[C@@H](C)NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 8325901 MOVFBOJPTIDGHZ-CYBMUJFWSA-N 368.304 5.469 0 40 FKAB CC[C@H](C)NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 8326657 MOVFBOJPTIDGHZ-ZDUSSCGKSA-N 368.304 5.469 0 40 FKAB Cc1nn(-c2cccc(F)c2)c2c1[C@H](c1ccc3ccccc3c1)CC(O)=N2 9051082 ZAYSTQVTGVFEBX-FQEVSTJZSA-N 371.415 5.597 0 40 FKAB Cc1cc2oc(=O)cc(CN3c4ccccc4CC[C@H]3C)c2cc1Cl 13059118 CUTKEGULJASZNP-CQSZACIVSA-N 353.849 5.096 0 40 FKAB c1ccc(CN2Cc3cc4ccccc4nc3O[C@@H](c3ccccc3)C2)cc1 13563904 XZSTYAGJDQGISH-XMMPIXPASA-N 366.464 5.371 0 40 FKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 13946180 UOHBYLFUCSFNTN-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C(C)C)nc2onc(C)c12 19714754 ZCOYSBNNJQWGPA-SFHVURJKSA-N 369.440 5.017 0 40 FKAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(SCc2cscn2)cc1 25617111 WUZXUWLXCMZXDI-HNNXBMFYSA-N 368.527 5.269 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 59351282 YPZWYICJMZEEDJ-IAGOWNOFSA-N 359.897 5.218 0 40 FKAB CC1=CC(Nc2ccc(C)cc2)=C(C(=O)OC(C)C)[C@H](c2ccccc2)C1 66088809 AWCMYKYAJVGFRH-NRFANRHFSA-N 361.485 5.746 0 40 FKAB CC[C@@H](c1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193849 GYVYRBJYIFMRDC-HNNXBMFYSA-N 360.442 5.141 0 40 FKAB O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1nccs1 100919532 RMOJNJBMUDGINL-AJHHTPGJSA-N 352.503 5.010 0 40 FKAB CCN1C(=O)[C@H](Cc2ccc(-c3ccccc3Cl)o2)c2ccccc21 101014133 YRLCGORMHNAKHL-QGZVFWFLSA-N 351.833 5.293 0 40 FKAB CC1=C[C@H](C)[C@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@@H]1[C@@H]2C 105365953 YMIQZMUWJPTDGH-PSOAEZCFSA-N 366.457 5.043 0 40 FKAB biogenic CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 147709587 HYENDISPQPMIEQ-UHFFFAOYSA-N 359.469 5.253 0 40 FKAB O=C(c1cc2ccccc2s1)N1CCS[C@@H](c2ccccc2)CC1 208042488 CFQPAWLMEALLBC-QGZVFWFLSA-N 353.512 5.222 0 40 FKAB C[C@@H](NC(=O)c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1 223134718 VAUHHBQCNCWVEW-GFCCVEGCSA-N 366.873 5.594 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1C(C)C 223264799 LLEVGYXPPLJULM-OFAQMXQXSA-N 371.908 5.671 0 40 FKAB CCOc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1Cl 224126089 LSGBYWDFGDTIIS-OAHLLOKOSA-N 359.897 5.225 0 40 FKAB O=C(NC1CCCCCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 224896205 VZFXQIFOEMFCJJ-UHFFFAOYSA-N 374.484 5.851 0 40 FKAB CC(C)c1ccc(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224978082 DQNISLVOQHXRKF-UHFFFAOYSA-N 357.497 5.378 0 40 FKAB CCOc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225499924 DBCWCFLTQHABBC-FQEVSTJZSA-N 372.534 5.168 0 40 FKAB Cc1ccc([C@H](NC(=S)Nc2ncccc2C)c2ccccc2)c(C)c1 225769508 DCVNSSYGGHENDV-HXUWFJFHSA-N 361.514 5.083 0 40 FKAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225840131 WFROAXJSSZYMEA-JOCHJYFZSA-N 357.494 5.408 0 40 FKAB c1ccc([C@@H]2N=C(c3cc4ccccc4s3)O[C@H]2c2ccccc2)cc1 2382215934 VQJYTUADCWTVQR-VXKWHMMOSA-N 355.462 6.161 0 40 FKAB CCOc1ccc(-c2nnc(-c3cccs3)n2-c2ccc(F)cc2)cc1 886496 QKDYOKWUTIILNL-UHFFFAOYSA-N 365.433 5.201 0 40 FKAB Cc1nn(C(=O)COc2ccccc2)c(C)c1Sc1ccc(Cl)cc1 947643 ISXZONPEGARYDB-UHFFFAOYSA-N 372.877 5.024 0 40 FKAB Cc1nn2c(-c3ccc(Br)cc3)ccnc2c1-c1ccccc1 983964 UQUUWULJORAFRA-UHFFFAOYSA-N 364.246 5.134 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 1934623 ZDGDSOJVFZFBNE-JXMROGBWSA-N 359.853 5.098 0 40 FKAB Cc1ccc([C@@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 2403581 PPQXPTGHXYKDST-FQEVSTJZSA-N 366.438 5.878 0 40 FKAB CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OCCCC 3875988 HGWAKQDTQVDVRP-NKSQBSFPSA-N 354.575 6.338 0 40 FKAB Cc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C 4127492 FKJZFJGJFMVFRC-UHFFFAOYSA-N 350.487 5.199 0 40 FKAB CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 4578912 GLGSPOATOUUCTE-KGYLXKDPSA-N 354.490 5.063 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccccc23)cc1C 4970217 KBQCOWVMFMPBOH-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1c(Cl)cccc1Cl 5603392 WQQZBHVOBXXMHM-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccco2)nc2ccccc12 6252796 CTVLLWVBWFUVSI-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB Fc1cc(Cl)ccc1Nc1ncnc2sc(-c3ccccc3)cc12 6602641 CBPWMGSXNZAQDU-UHFFFAOYSA-N 355.825 5.894 0 40 FKAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1Cc1ccccc1 7344667 XXSAAEHEHGFENZ-UHFFFAOYSA-N 359.469 5.418 0 40 FKAB Cc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7699872 CRLKXPSDOIRSFH-UHFFFAOYSA-N 365.860 5.157 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 8771949 NPQCOXQSPGUGTI-OPAMFIHVSA-N 362.473 5.103 0 40 FKAB CCOC(=O)/C=C/c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 12874121 CBKXLTKVTCBJGU-OVCLIPMQSA-N 357.494 5.054 0 40 FKAB C[C@@H](NC(=O)c1cc(Cl)nc2ccccc12)c1cc2ccccc2o1 14701496 DITUDNAMPNGMHU-GFCCVEGCSA-N 350.805 5.125 0 40 FKAB c1ccc(-c2ccc(CNc3ccccc3OC[C@H]3CCCO3)cc2)cc1 19737585 HWFNIMULSCQJNV-JOCHJYFZSA-N 359.469 5.524 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)cc(Cl)c1 20039905 QAJPHMMOBNICLB-INIZCTEOSA-N 352.261 5.406 0 40 FKAB O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1cc2ccccc2o1 22196503 JEOITCHFQRWJNF-OAQYLSRUSA-N 360.388 5.483 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 22515649 IVAHHSZKXRAOMW-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB Cc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1 23126672 BWYAZOOKTPONKR-UHFFFAOYSA-N 366.877 5.328 0 40 FKAB CC(C)=CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 23154341 BQOFSJCMWDMXPL-KRWDZBQOSA-N 352.865 5.036 0 40 FKAB COc1ccc2cc(C(=O)N(C3CC3)[C@@H](C)c3ccc(Cl)cc3)[nH]c2c1 58423792 SHIGSKBMJMHOSX-ZDUSSCGKSA-N 368.864 5.196 0 40 FKAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)[C@H](C)c1cc2ccccc2o1 65702314 BFMRLPSDAWNOPP-OAHLLOKOSA-N 374.440 5.015 0 40 FKAB CCCCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c1 107814960 NJCPEMFQQSAEGF-UHFFFAOYSA-N 372.896 5.371 0 40 FKAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C(C)(C)C)cc1 222796371 OSAIWNKAVQEXEL-QGZVFWFLSA-N 367.533 5.538 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222905688 RXSOHVACKZFZMJ-SJORKVTESA-N 353.531 5.065 0 40 FKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 223011541 RVBBCJAPEIYTSU-QGZVFWFLSA-N 352.261 5.406 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223273477 CPWWVBUVEDKXQD-HXOBKFHXSA-N 365.517 5.163 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)Nc2cccc(Cl)c2)cc1C(C)C 223368777 GPOALXOUUKYPJI-AWEZNQCLSA-N 360.885 5.663 0 40 FKAB CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 223997849 KIXMGSPOHYDLOO-VPFXQZGESA-N 365.517 5.582 0 40 FKAB CCc1ccc(CCC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 224591321 WGNNOXVMENNSBI-NRFANRHFSA-N 365.517 5.380 0 40 FKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(C(C)C)cc3)o2)c1 224844847 PHUWJKWZBGOOHA-UHFFFAOYSA-N 364.445 5.045 0 40 FKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C)c(C)c2)cc1 225496991 SARDKQKWLDYDEP-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)C(C)C 225760325 VLXFVJFLHLYQIG-KRWDZBQOSA-N 366.452 5.698 0 40 FKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc(Cl)c2C)n1 225917689 JIYDYNFAWXPBJU-UHFFFAOYSA-N 366.852 5.051 0 40 FKAB Cc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1Cl 226286467 YNZCIYFVGQMWDY-UHFFFAOYSA-N 374.827 5.617 0 40 FKAB CCCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 409101113 VLQNNNHAHJCVFU-UHFFFAOYSA-N 357.910 5.225 0 40 FKAB O=C(Nc1ccccc1C(F)(F)F)N1CCc2sc(Cl)cc2C1 575615149 AWVOVBRPDNABAY-UHFFFAOYSA-N 360.788 5.011 0 40 FKAB Cc1ccccc1C(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882146 RPCOPLIKTISXRM-UHFFFAOYSA-N 374.465 5.559 0 40 FKAB CC(C)[C@H]1O[C@H](c2cccc(NC(=O)c3cccs3)c2)OCC1(C)C 1080151 FVFSYBBDHHGEMH-IEBWSBKVSA-N 359.491 5.097 0 40 FKAB O=C(Nc1ccc(NC(=O)c2ccccc2)c2ccccc12)c1ccccc1 1727939 XVPMQVGFUKFASI-UHFFFAOYSA-N 366.420 5.344 0 40 FKAB CCCCOc1cc(OCCCC)c2c(-c3ccccc3)cc(=O)oc2c1 1797531 BZGPHSKHVNBEKJ-UHFFFAOYSA-N 366.457 5.818 0 40 FKAB biogenic CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(C(F)(F)F)ccc12 2042639 HIWSRDNBRUFDDW-CQSZACIVSA-N 353.432 5.176 0 40 FKAB CCCCCCc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1 2569867 DFHWCSVHLVOKND-UHFFFAOYSA-N 354.490 6.208 0 40 FKAB Cc1nc(SC/C=C/c2ccccc2)c2c3c(sc2n1)C[C@@H](C)CC3 2655148 BAGZFIDDPYGHTD-MRZGDXHCSA-N 366.555 5.930 0 40 FKAB Cc1ccc(Cn2cc(/C=C3/SC(=S)N=C3O)c3ccccc32)cc1 2977859 OENDIHZDDKQTEF-VCHYOVAHSA-N 364.495 5.327 0 40 FKAB CCOc1ccc(Nc2ncc(-c3nc4cc(Cl)ccc4o3)cn2)cc1 3030992 IAWGNOQCRXLIPA-UHFFFAOYSA-N 366.808 5.081 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 4176525 JBSVODBYUWEREP-UHFFFAOYSA-N 374.465 5.538 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)cc1 4969902 MLGWXDPADRPSFQ-UHFFFAOYSA-N 353.400 5.688 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C)sc1C 5357073 UFHLTEOLEAEPDJ-JSGCOSHPSA-N 359.491 5.062 0 40 FKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1 6241123 GZBHGTHTBCUELP-HNNXBMFYSA-N 370.518 5.116 0 40 FKAB O=C(c1cccnc1Sc1ccccc1)N1CC=C(c2ccccc2)CC1 6588977 WKVLYJYKGKNXBV-UHFFFAOYSA-N 372.493 5.162 0 40 FKAB CCN1C(=O)S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 6654818 WDZRFOBLCAMBRG-ZSOIEALJSA-N 368.241 5.310 0 40 FKAB CCc1cccc2c(C(=O)[C@H](Sc3ncccn3)c3ccccc3)c[nH]c12 6913334 LHVCVKGXEZIKBF-OAQYLSRUSA-N 373.481 5.237 0 40 FKAB Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1Cc1cccs1 7990261 ZAUXOANSSXCXQW-UHFFFAOYSA-N 359.878 5.130 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 8040918 XOVQXWHYJJCFMY-SFHVURJKSA-N 361.441 5.502 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 8493928 WZVSSTOHYYWLSH-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB OC1=Nc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc(F)cc2F)C1 8990449 MLAYHPYVEFSCIK-ZDUSSCGKSA-N 359.763 5.132 0 40 FKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9355394 PGAXKZVBRTYXAF-WAIKUNEKSA-N 352.437 5.474 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 13708610 QICNRCHMDIHCDG-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(F)c(F)c(F)c1F 15963715 FCWKCXAYSOIBQC-UHFFFAOYSA-N 361.294 5.288 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1C[C@@H](C)C[C@H](C)C1 37065735 SQVXINVALFBTPV-QQMNAOGKSA-N 360.501 5.378 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 59351286 YPZWYICJMZEEDJ-IRXDYDNUSA-N 359.897 5.218 0 40 FKAB CCSc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72217151 GTPMROLSDLQABI-SFHVURJKSA-N 356.491 5.057 0 40 FKAB O=C(c1ccc(F)cc1Cl)N(CCc1cccs1)Cc1ccoc1 90612335 JOKWTGKKBHDHQY-UHFFFAOYSA-N 363.841 5.019 0 40 FKAB C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc2c(c1)CCC2 223208371 UYIZJHUWSQORCZ-LJQANCHMSA-N 369.508 5.452 0 40 FKAB Cc1ccc(SCCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 223441537 QLANUYKMPZRMBR-UHFFFAOYSA-N 362.498 5.102 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCC1 225658083 PLCQILCIXCWDQT-UHFFFAOYSA-N 359.510 5.384 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1C 225757737 KJGQVWGETBDBLO-MRXNPFEDSA-N 352.425 5.452 0 40 FKAB COc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1 225847537 LFQPUDGTKQZYJS-UHFFFAOYSA-N 368.546 5.236 0 40 FKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1 225855035 CQAAYWPXLLFBMF-AVRDEDQJSA-N 365.517 5.236 0 40 FKAB CC(C)c1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 226239978 CNGPZHCQLWBXJP-UHFFFAOYSA-N 370.290 6.445 0 40 FKAB C[C@H](Nc1ncnc2c1oc1ccccc12)c1nc(-c2ccccc2)cs1 501247452 RTPCDIYFNJDUKN-ZDUSSCGKSA-N 372.453 5.673 0 40 FKAB COC(=O)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 950679 LEWLWYHQYVYTBF-UHFFFAOYSA-N 374.776 5.001 0 40 FKAB CC(C)(C)c1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 1858197 UHHWRKWCZQQYGG-UHFFFAOYSA-N 366.545 6.798 0 40 FKAB CC1CCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1 2267082 GGDCFXCXSAAPKR-UHFFFAOYSA-N 372.299 5.840 0 40 FKAB Cc1ccc(-n2cnc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)cc1 2358189 NYVAFJCRDSSMEQ-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB O=c1oc2cc(O)ccc2c(Cc2ccccc2)c1-c1ccc(Cl)cc1 2581709 DNLRVCHWGNMSCA-UHFFFAOYSA-N 362.812 5.410 0 40 FKAB biogenic C[C@H](Nc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1)c1ccccc1 2652606 GBDDNKPBYFGYGA-INIZCTEOSA-N 368.505 6.554 0 40 FKAB CCCCC1(CCCC)Nc2ccccc2-c2nnc(SC)nc2O1 3211840 RNCACRQZGAVGQH-UHFFFAOYSA-N 358.511 5.142 0 40 FKAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 6039191 WFJVMRMJXWNNJO-UHFFFAOYSA-N 357.482 5.535 0 40 FKAB Cc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl 6307137 HTIYWKPJKMRKOL-UHFFFAOYSA-N 367.832 5.458 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 6468300 FNZNYYBVSBPMCA-GLEZIHRCSA-N 367.301 5.609 0 40 FKAB CC[C@@H](C)NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 8325961 QQZAHTNDYDTGOQ-CYBMUJFWSA-N 368.304 5.469 0 40 FKAB CC1(C)C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2O1 10542984 DKUDWTAZRSIOIY-OAQYLSRUSA-N 357.453 5.386 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)c4ccccc4)c23)C1 19646407 MOCUYYNLZOLDIE-QWHCGFSZSA-N 368.527 5.180 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 20047886 VFMRFLAZKJDETI-NTKDMRAZSA-N 373.496 5.231 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 21944864 HIJPWYWJYYCSIP-UHFFFAOYSA-N 371.415 5.239 0 40 FKAB CC(C)c1ccc(NC(=O)c2cccnc2NCCc2ccccc2)cc1 22072981 DOXAICAZVRKOSN-UHFFFAOYSA-N 359.473 5.112 0 40 FKAB CCOc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 27525334 PLOFEAHURIGXQE-UHFFFAOYSA-N 357.457 5.205 0 40 FKAB CCOc1ccc2oc(C(=O)N[C@H](CC)c3ccc(C)cc3)c(C)c2c1 32986456 ZWUKJGFQQBNIOV-LJQANCHMSA-N 351.446 5.329 0 40 FKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCc1ccccc1 67207115 YRWDDBVGRQLVGU-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB O=C(c1cccc2cccnc12)N1CCCC[C@H]1c1nc2ccccc2s1 78800592 XQMSYCROQLDJGC-SFHVURJKSA-N 373.481 5.212 0 40 FKAB COc1ccc(CN2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)cc1 96052556 WPIIKMPFRPHYRP-UHFFFAOYSA-N 373.496 5.435 0 40 FKAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)c(C)c1 218926262 FNZWANLRYNOODH-IBGZPJMESA-N 359.897 5.220 0 40 FKAB CCCC[C@H](CC)CNC(=O)CSCc1ccc(Br)cc1 223453625 KOXQGHOPYPIVJC-AWEZNQCLSA-N 372.372 5.015 0 40 FKAB O=C(OC1CCCCCCCCCCC1)c1snnc1-c1cccnc1 223850087 ICYBNUPOYHYEPB-UHFFFAOYSA-N 373.522 5.430 0 40 FKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1Oc1ccccc1 224476229 BEVAJTKEAPPVPH-UHFFFAOYSA-N 373.452 5.375 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)c2ccccc12 225839984 QPOHOUGKNHSMBG-JOCHJYFZSA-N 357.494 5.553 0 40 FKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OCc1ccccc1 253617250 PFVCATKPVAAICJ-CMDGYKDHSA-N 366.589 7.005 0 40 FKAB O=C(NCCc1ccc(-c2ccsc2)s1)C1(c2ccc(F)cc2)CC1 575414108 XSNKFDKEDMMYPI-UHFFFAOYSA-N 371.502 5.006 0 40 FKAB Cc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@H](C)S1 1044125 XXLGDEHSVOVECD-ZDUSSCGKSA-N 359.882 5.178 0 40 FKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1c(C)cccc1C 1339963 XAEFGKNPLLIDMV-UHFFFAOYSA-N 364.514 5.453 0 40 FKAB Clc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 1580842 DDMNDFNQRZDZBU-UHFFFAOYSA-N 360.027 6.017 0 40 FKAB CC(C)c1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2252894 JAVPYZMVIUVMOQ-UHFFFAOYSA-N 370.481 5.821 0 40 FKAB CCc1ccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)cc1 3345983 RWJBFTJPUWAAIQ-UHFFFAOYSA-N 350.487 5.714 0 40 FKAB C1=C2C3=C(O[C@@H](c4ccccc4)[C@@H]2CCC1)/C(=C/c1ccccc1)CCC3 4024421 GTCWXHKGVTZFCQ-RJFLAKOLSA-N 354.493 7.006 0 40 FKAB biogenic COc1ccc(CNCC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1 4073650 ZHEVIZJQOHGJNM-GOTSBHOMSA-N 361.570 5.433 0 40 FKAB biogenic Cc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1 4927627 HLQZDLLFWMZNFY-UHFFFAOYSA-N 351.258 5.644 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccccc3SC)n2)cc1C 5222411 SZSRXKKVWGHQSD-UHFFFAOYSA-N 370.499 5.101 0 40 FKAB CCOc1ccc(-c2csc(NC(=O)c3ccccc3SC)n2)cc1 5222413 RKYCPMWQNZFWLW-UHFFFAOYSA-N 370.499 5.183 0 40 FKAB Clc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5458853 JJSDXACYAZGSPD-PZJWPPBQSA-N 359.860 5.836 0 40 FKAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc(Cl)cc1Cl 5953505 JNWYRPNAPJJXCI-XBXARRHUSA-N 367.228 5.069 0 40 FKAB FC(F)(F)c1cccc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 6970196 SSLPGDRYKIDGIN-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB O=C(Nc1ccccc1)Nc1nnc(/C=C/c2ccccc2Cl)s1 8742857 DKXKPCNWTYIXHK-ZHACJKMWSA-N 356.838 5.006 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13649177 QMWFDJJCQMNJMF-DLBZAZTESA-N 355.547 5.651 0 40 FKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 17086087 PGFPAFMZDWVGTN-KPZWWZAWSA-N 354.519 5.025 0 40 FKAB Clc1cc(Cl)cc(CNc2ccccc2OC[C@H]2CCCO2)c1 19737598 KPNYBCFHPKZZKL-MRXNPFEDSA-N 352.261 5.163 0 40 FKAB Cc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245755 HVMJBNULHNNZKR-UHFFFAOYSA-N 355.438 5.203 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 44845686 MKITZTYTVFAZJX-MSOLQXFVSA-N 367.533 5.752 0 40 FKAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72358013 HAEMCIURKMOPQJ-OAQYLSRUSA-N 368.908 5.180 0 40 FKAB CN(C(=O)NCc1ccc(-c2nc3ccccc3s2)o1)C1CCCCC1 83855603 LBABOBZXKHDKLV-UHFFFAOYSA-N 369.490 5.030 0 40 FKAB Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 95939697 JKFIEQUXGQBZGP-HZPDHXFCSA-N 352.821 5.046 0 40 FKAB CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219649832 XGCCMJFEYMRVLL-QGZVFWFLSA-N 355.503 5.139 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223098223 IQLVNQBKNHCELC-FCHUYYIVSA-N 369.480 5.129 0 40 FKAB CC(C)OC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448122 DUKPRGVUWNEUBR-UHFFFAOYSA-N 362.429 5.370 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2cccnc12 225861277 MSINGPZLTUSCES-UHFFFAOYSA-N 360.457 5.002 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 408579622 ITBMODHFYJHGRF-UHFFFAOYSA-N 370.905 5.895 0 40 FKAB Cc1ccccc1N(Cc1cccs1)C(=O)Nc1ccc2ccccc2c1 831620 AHHVPOIRHVVMPJ-UHFFFAOYSA-N 372.493 6.448 0 40 FKAB COc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)cc1 855416 MDMIPIFZJMCCRT-HTAPYJJXSA-N 372.468 5.287 0 40 FKAB COc1ccc([C@@H](CC(=O)c2ccccc2)SCc2ccco2)cc1 943348 BWOHZFINSMDVCU-OAQYLSRUSA-N 352.455 5.536 0 40 FKAB Cc1ccc(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)cc1 1433810 PAFYJPPLMFMVCZ-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 1467814 ORCYAFOFQNFKSD-KVEMZPMDSA-N 359.513 5.780 0 40 FKAB Fc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4)cc2-3)cc1 2688835 LVYDTLMEWNEDOU-UHFFFAOYSA-N 371.390 5.530 0 40 FKAB CC[C@@H]1CCc2c(sc3ncn4nc([C@H]5C[C@H]5c5ccccc5)nc4c23)C1 2803826 HROCJKXDDUZIEW-COXVUDFISA-N 374.513 5.125 0 40 FKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4070763 KAASKSVTHCKDCH-AOVAMUDZSA-N 373.518 6.008 0 40 FKAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 5552303 GXUDAPVRPIYIGS-RIYZIHGNSA-N 368.241 5.310 0 40 FKAB CCCSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 6138908 SRUNIVKHHRUMNS-UHFFFAOYSA-N 370.349 6.259 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 6231772 SLEGQIMYAHDDRH-ZDUSSCGKSA-N 370.246 5.008 0 40 FKAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 10229389 OBNLJZTZVKVCMM-JCURWCKSSA-N 373.374 5.433 0 40 FKAB CCC[C@H](O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1 12062243 NHKSTYKIAZOYOG-NRFANRHFSA-N 352.478 5.037 0 40 FKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3c(C)cccc3C)cc2)cs1 12563295 PVXHRCQPIFQRHN-OAHLLOKOSA-N 365.502 5.174 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccco1)c1ccccc1 14412720 SHOVGBYMJSXTMM-QGOAFFKASA-N 357.331 5.478 0 40 FKAB COc1ccc(C)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 14673132 UXYXESLDJJASDD-UHFFFAOYSA-N 358.850 5.033 0 40 FKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 15331041 RSHPZJYATALNJB-NSHDSACASA-N 357.759 5.073 0 40 FKAB Cc1cccc(OCCS[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 15492294 CGQNFARJQZSBFW-HNNXBMFYSA-N 363.910 5.096 0 40 FKAB CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OCCOC 16891614 QTRKSBZYBWSRBJ-YPNIWSFNSA-N 356.547 5.184 0 40 FKAB C/C=C/c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC 18186065 YKHRAPAOIXURDR-VOTSOKGWSA-N 359.853 5.259 0 40 FKAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1C 19523966 LAOZVECXVOAFLI-GOSISDBHSA-N 370.522 5.045 0 40 FKAB CC(C)c1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)O)cc1 19894593 YIWLLHXWBYKPQH-UHFFFAOYSA-N 352.459 5.304 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(F)(F)F 20490224 WDRZLFRPQXOOKH-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB Cc1ccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)O)s2)cc1 21006010 GXDIQQLANDIQQF-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB COc1c(Cl)cc(C(=O)Nc2cccc3nc(C)ccc23)cc1Cl 21596069 HKWYTKVNUKHQHP-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB Cc1nn2c(-c3ccc(OCCC(C)C)cc3)ccnc2c1-c1ccccc1 22607312 MZGLQDBMNQGFFM-UHFFFAOYSA-N 371.484 5.797 0 40 FKAB Cc1cccc(C)c1OCC(=O)N(Cc1cccs1)c1ccc(F)cc1 27664454 BOYSNCIOSPJWLS-UHFFFAOYSA-N 369.461 5.116 0 40 FKAB O=C(NC1CCCCC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29504919 APMKTXPYMFMMDY-UHFFFAOYSA-N 364.420 5.210 0 40 FKAB Cc1ccc2[nH]c(=O)c(CNc3ccc(Oc4ccccc4)cc3)cc2c1 57709979 HWHHXXDTCLDDRI-UHFFFAOYSA-N 356.425 5.241 0 40 FKAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(Cl)cc2Cl)c1 59436879 FJFCMVZSBGCAQV-UHFFFAOYSA-N 368.329 5.160 0 40 FKAB CSc1nc2ccccc2n1[C@@H](c1ccccc1)c1ccc(Cl)cc1 59459357 UEKAIAVMUWYIPT-FQEVSTJZSA-N 364.901 6.049 0 40 FKAB CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214922 XHDPYAXMVITFLT-SFHVURJKSA-N 361.530 5.024 0 40 FKAB Cc1cc(F)ccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 98073097 JFYIFWIKDRQILO-INIZCTEOSA-N 361.416 5.107 0 40 FKAB Cc1nc2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)cc2s1 102075494 XMGHRDFWKDMFQM-NYYJTOMGSA-N 360.910 5.121 0 40 FKAB C[C@H](Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102336438 YYVZRCWKGPBHRM-CSLRNZCASA-N 362.517 5.095 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc2c(c1)CCCC2 223086118 CTIJFJQKHJOSLI-YWZLYKJASA-N 371.908 5.254 0 40 FKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225736729 CLRUJSVLQIHWRL-JOCHJYFZSA-N 363.542 5.508 0 40 FKAB CCC[C@H](F)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817198 LIZVKLUXDISLIA-IBGZPJMESA-N 373.471 6.554 0 40 FKAB in-vitro O=C(NCc1nc(C2CCCCC2)cs1)c1ccccc1C(F)(F)F 390830830 NSSLIBSFZXKTAF-UHFFFAOYSA-N 368.424 5.140 0 40 FKAB Cc1ccc(C)c([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)c1 408993925 DUAISZKRIPTSND-FIXSFTCYSA-N 369.464 5.473 0 40 FKAB CCCOc1ccc(CNc2ccccc2Cl)cc1Br 409182249 JZEBUIPLUSVSFD-UHFFFAOYSA-N 354.675 5.503 0 40 FKAB O=C(NCc1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1402138 IOSOOHPPGZWRTJ-UHFFFAOYSA-N 374.871 5.273 0 40 FKAB CCOC1=C(c2ccccc2)Sc2ccc(C)cc2[C@@H]1c1ccc(C)cc1 1598806 MAIHWDZDSQGRCH-QHCPKHFHSA-N 372.533 6.946 0 40 FKAB Cc1c(C)c2cc3c(-c4ccc(-c5ccccc5)cc4)coc3cc2oc1=O 2357714 NJWHENZLYURGCH-UHFFFAOYSA-N 366.416 6.490 0 40 FKAB Cc1ccc(C(=O)[C@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)cc1C 2644965 SOEKSCZLRYTHLB-SFHVURJKSA-N 358.437 5.185 0 40 FKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCC1CCCCC1 2774034 CXRNZQCPQQZGIS-UHFFFAOYSA-N 371.502 5.501 0 40 FKAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 4911556 SNNNEUMXTTXUBL-GOSISDBHSA-N 367.489 5.145 0 40 FKAB CCSc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 5240745 VQOZKAJVCFWYHI-UHFFFAOYSA-N 374.465 5.859 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5547312 CCFXRYSAGHZCBS-SNVBAGLBSA-N 358.652 5.361 0 40 FKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1C 6215875 HUOSZYVXSPUIPS-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 6570358 ICQRNFDEGXSMJV-KRWDZBQOSA-N 352.478 5.107 0 40 FKAB Cc1ccc(C(C)C)c(OCCCN2CCCC[C@H]2c2cccnc2)c1 6624391 YLWNQOPFOUQOMO-QFIPXVFZSA-N 352.522 5.510 0 40 FKAB biogenic Cc1ccnc(N[C@H](c2ccc3c(c2)OCO3)c2c(C)[nH]c3ccccc23)c1 6796991 LPAYQRCLAPQUNT-HSZRJFAPSA-N 371.440 5.110 0 40 FKAB FC(F)(F)c1cccc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)c1 6925957 MWFBLJVWJJWGJZ-UHFFFAOYSA-N 362.395 5.514 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)C(F)(F)F 8053885 KJVGHNKLRQHXPU-UHFFFAOYSA-N 356.756 5.118 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 8335570 SIHSZMUTLHFENB-UHFFFAOYSA-N 372.493 6.141 0 40 FKAB Cc1cccc(OCc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)c1 9251009 NMMBLKQOMHMVJV-UHFFFAOYSA-N 366.486 5.208 0 40 FKAB O=C(CCCSc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 10217803 UEBUMHDHCJNWDJ-UHFFFAOYSA-N 372.490 5.460 0 40 FKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC(F)F 12732737 GLXZBUUENXICQM-JTQLQIEISA-N 357.809 5.061 0 40 FKAB CC(C)(C)c1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 12765626 XMLMHRZSFIFPAM-UHFFFAOYSA-N 356.516 5.350 0 40 FKAB O=C(Cc1cccc(F)c1)Nc1ccccc1SCc1ccccc1 12770486 JVAOSJNKFQIVAY-UHFFFAOYSA-N 351.446 5.299 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CCCc1nc2ccccc2s1 12797616 CRNVDKKCKJBZAK-UHFFFAOYSA-N 352.503 5.690 0 40 FKAB O=C(CCC(=O)c1cccs1)Nc1cccc(Oc2ccccc2)c1 12911293 QJBJVVMQCBYBSW-UHFFFAOYSA-N 351.427 5.142 0 40 FKAB O=C(O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 13166543 OKGBEXAMXSDIRQ-UHFFFAOYSA-N 366.225 5.159 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc2ccccc2o1 13946038 NOLUAYBRJUTEKE-UHFFFAOYSA-N 354.837 5.329 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 14398041 SZSZEDSPNSRXOX-HNNXBMFYSA-N 351.833 5.413 0 40 FKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccn1 14596094 RKXBTAVACSCTTF-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB Cc1ccccc1[C@H](NC(=O)CCCOc1ccccc1)c1ccccc1 20493690 DSOWPACCSDARKZ-XMMPIXPASA-N 359.469 5.060 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)cc1 27664107 WGBIJCAZZQVOFY-UHFFFAOYSA-N 371.889 5.647 0 40 FKAB CCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccc(C)cc3)c(C)c2c1 28404542 PLRJVNPEZHGLCH-UHFFFAOYSA-N 373.456 5.109 0 40 FKAB COCc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 30836329 AWEFZFGTWMMWHR-UHFFFAOYSA-N 363.482 5.378 0 40 FKAB Cc1nc(SCc2ccc(Cl)cc2Cl)n(C[C@@H]2CCCO2)c1C 32719377 ZKOZUISPNDUNRD-HNNXBMFYSA-N 371.333 5.278 0 40 FKAB CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 32751208 GCBFVZDLXUOVMH-QGZVFWFLSA-N 362.395 5.113 0 40 FKAB COc1ccccc1-c1cc2nc(C)cc(Nc3ccc(C)c(C)c3)n2n1 36631424 XAYFHVMBAHKZCD-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)CCCC2 39897758 BOVKYRKWCZGTMX-UHFFFAOYSA-N 355.437 5.049 0 40 FKAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc2cc[nH]c2c1 40286620 OJXUPURONVVIJS-UHFFFAOYSA-N 367.861 5.126 0 40 FKAB Cc1ccc2nc(-c3cc(Cl)c(N)c(Br)c3)sc2c1 45923352 PQHLORBKERHMMH-UHFFFAOYSA-N 353.672 5.270 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351359 OQYFCALUGPQVAK-PGRDOPGGSA-N 361.485 5.491 0 40 FKAB COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)o2)cc1 67299800 XCRGWECFJQVNEA-UHFFFAOYSA-N 359.381 5.177 0 40 FKAB COc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101220294 SJGFGKKZTYWLGZ-UNMCSNQZSA-N 355.441 5.191 0 40 FKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 104105669 HNSZJJAOLVQMQU-CWLNCONASA-N 366.930 5.494 0 40 FKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 106681943 PYKADICYTZKAFX-CCNLRRDASA-N 367.470 5.100 0 40 FKAB CC(C)c1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2)cc1 218963975 RLGURDANTPIRTQ-UHFFFAOYSA-N 353.506 5.061 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(C)C 222920202 DRWTXVWOKGZLEM-OAQYLSRUSA-N 353.506 5.904 0 40 FKAB CCc1ccc(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223380337 YQGVWOIZBJAVKM-QGZVFWFLSA-N 353.506 5.109 0 40 FKAB CCCCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)C)c1 224562087 VLRYKDZIELUIQD-UHFFFAOYSA-N 369.505 5.318 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1CSc1ccc(C)cc1 224659232 RFHNYPDVGUIRBK-INIZCTEOSA-N 357.519 5.214 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225504734 MLRRLSMOHATNGT-GOSISDBHSA-N 351.490 5.623 0 40 FKAB Oc1nc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccccc12 253536122 ISOXQDMHXGNBAF-UHFFFAOYSA-N 367.202 5.025 0 40 FKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(F)(F)F)cc1Cl 408624662 YSTHJSQREDCRKY-UHFFFAOYSA-N 371.830 5.904 0 40 FKAB COc1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1Cl 408972756 WLZJGMOGLMRSLF-UHFFFAOYSA-N 358.290 5.279 0 40 FKAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1C 408988165 HHVYRKZPWGQSJO-UHFFFAOYSA-N 354.475 5.040 0 40 FKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccccc1 409113145 GRYZBAGHGUFPJY-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB Cc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409382291 QXPGWAVRRIESGY-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1Cl 638146 CIQRZIMWTVOHNC-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1c(C)cccc1C 924379 CSOJQLMMIBMWNE-UHFFFAOYSA-N 364.514 5.508 0 40 FKAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)c(Cl)c1 948622 YAEFAQRXWZLKAH-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB COc1ccc(CSc2ncc3c(n2)-c2cc(C)ccc2SC3)cc1 1403607 JQGVIYOGFLSERJ-UHFFFAOYSA-N 366.511 5.359 0 40 FKAB CCn1c2ccccc2c2cc([C@H](C)NC(=O)c3ccc(OC)cc3)ccc21 1410379 JNNLFOXNYBQNAQ-INIZCTEOSA-N 372.468 5.314 0 40 FKAB Cc1cc(C)c([N+](=O)[O-])c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 1439252 MIEVUPFLMJMBCU-UHFFFAOYSA-N 374.440 5.291 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1 2235113 MHIJCPPBVBMANW-UHFFFAOYSA-N 355.821 5.559 0 40 FKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CCCCCC3)sc21 2402761 WDAPKQDJHSUVTE-UHFFFAOYSA-N 367.518 5.156 0 40 FKAB COc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3nc4ccccc4n32)cc1 2914958 KJJUUHRXNFIJGG-HSZRJFAPSA-N 367.452 5.409 0 40 FKAB CC(C)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 4438525 CYEPQGVXLXBRKU-ZCYQVOJMSA-N 368.480 5.879 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2sccc2C)N3)C1 4554591 QYSKWWAONSUICW-PXAZEXFGSA-N 374.575 6.088 0 40 FKAB CSc1nc(-c2sccc2OCc2ccc(Cl)cc2Cl)n[nH]1 5720601 XFOJLFWUFXBXBP-UHFFFAOYSA-N 372.302 5.141 0 40 FKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc(C)c1 6961402 GPGPQVYFWVRABF-UHFFFAOYSA-N 369.530 5.134 0 40 FKAB COc1cccc2cc(C(=O)Nc3nc4c(SC)cccc4s3)oc12 9133683 CPRMQRXSXNJGHA-UHFFFAOYSA-N 370.455 5.025 0 40 FKAB Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)c1 13060121 NFJXZWXCLRCTGM-QFIPXVFZSA-N 361.876 6.035 0 40 FKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 14552577 WNYAMHQABCXDQW-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB CCC(CC)c1nnc(NC(=O)c2csc(-c3ccc(C)cc3)n2)s1 14634746 YFBWKXZHWYWYSI-UHFFFAOYSA-N 372.519 5.126 0 40 FKAB Fc1ccc(CNCc2ccc(OCc3ccccc3Cl)cc2)cc1 16449887 KDLPJMMZJDGQKF-UHFFFAOYSA-N 355.840 5.348 0 40 FKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 19690802 DQGNQPHKKHXQPL-DEOSSOPVSA-N 370.496 5.267 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(F)cc4c32)cc1 21017440 HZUXFNBHWPJENH-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 38755468 DKINTWLOWQCZCB-AWEZNQCLSA-N 351.368 5.037 0 40 FKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(F)cc2)cc1 44087103 YYOOSXKXEQPWNX-UHFFFAOYSA-N 374.484 6.279 0 40 FKAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 72229435 ORHZEQRUOUKWNT-UHFFFAOYSA-N 350.032 5.135 0 40 FKAB CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cc(C)ccc2C)cs1 72289885 FAEWESHCLRHUKG-SFHVURJKSA-N 350.487 5.308 0 40 FKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1Cl 75283522 IGBCJVJPHHMTDW-UHFFFAOYSA-N 358.224 6.038 0 40 FKAB O=C(O)c1cccc(Nc2ccnc3c(Sc4ccccc4)cccc23)c1 78401553 AWNWXXHXALLIRV-UHFFFAOYSA-N 372.449 5.828 0 40 FKAB Clc1ccc(-c2cc(-c3ccco3)cc(-c3ccccc3)n2)cc1Cl 95482120 FTRLCJSXMIXJGN-UHFFFAOYSA-N 366.247 6.982 0 40 FKAB CC[C@]1(C)C[C@@](CCN[C@H](C)c2ccc(Cl)cc2)(C(C)C)CCO1 102760623 FRRPVDBEADNXFW-UIFIKXQLSA-N 351.962 6.002 0 40 FKAB Cc1cc2occ(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C 108914209 PSGPBLAJFRQSBM-NHAYFPRASA-N 353.506 5.348 0 40 FKAB O=C(Nc1ccc(Br)cc1F)C1(c2ccccc2)CCCC1 215814831 PXSRVLACECBJCK-UHFFFAOYSA-N 362.242 5.039 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222907697 WMEPJBBHMLZZGT-SJORKVTESA-N 353.531 5.232 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCc2ccccc21 222934778 FPDNHDKNKXUNTC-VXKWHMMOSA-N 365.517 5.335 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1C(C)C 223358279 IGCHLOMAVCTSDB-MRXNPFEDSA-N 373.924 5.590 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223491962 VTPJMWDKLHRYNZ-GCJKJVERSA-N 353.506 5.209 0 40 FKAB COc1c(Cl)cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1Cl 226246969 PZMDBIZYIBVODM-UHFFFAOYSA-N 373.239 5.909 0 40 FKAB Cc1cc(Br)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 226342577 IHJWDYLIPQEGCL-UHFFFAOYSA-N 363.258 5.968 0 40 FKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCCC1 247939570 PCXUKFJMKJCKEX-HYUJZPPJSA-N 372.512 5.219 0 40 FKAB C[C@]12CC[C@H](Cc3ccccc3)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 253617551 UYEUVWXDRDBSDY-JOUFPCHASA-N 350.590 7.278 0 40 FKAB CCOc1c(Cl)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1Cl 409121372 ZFOCHDOZOWFZHM-ZROIWOOFSA-N 362.256 5.299 0 40 FKAB CC(C)CCC[C@@]1(C)Oc2ccc(CCC(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265767 PMYACWTYQIUKDA-XHBDVGQISA-N 374.521 5.537 0 40 FKAB O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 707827 JMIHJEGISAXHQH-UHFFFAOYSA-N 366.376 5.381 0 40 FKAB Cc1cc(NC(=O)Cc2cccc3ccccc23)ccc1Br 1017028 RBIMGIDNYXNNAV-UHFFFAOYSA-N 354.247 5.092 0 40 FKAB O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1 1095865 UBISEGOOVNDLSO-QHCPKHFHSA-N 370.427 5.095 0 40 FKAB COc1ccc(-c2nc3ccccc3c(C(=O)N3CCC[C@@H](C)C3)c2C)cc1 1480369 OUULYIMFGANQEG-MRXNPFEDSA-N 374.484 5.091 0 40 FKAB CC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 1703591 JDUIVSHBIXUJGP-UHFFFAOYSA-N 350.632 6.065 0 40 FKAB CCCCCc1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 1913767 BIKPFDWGTRRWKY-MDZDMXLPSA-N 370.305 5.230 0 40 FKAB CC(C)c1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1CCC2 2256098 DBGOYQWSKWIJTG-UHFFFAOYSA-N 374.513 5.464 0 40 FKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CCc1ccccc1 2274440 RCDSXWLGYMBQCQ-WMZHIEFXSA-N 370.496 5.598 0 40 FKAB O=C(NC1CCCCCC1)c1cccc(COc2cccc3ccccc23)c1 2753146 LCVVYSKMPSVDCU-UHFFFAOYSA-N 373.496 5.871 0 40 FKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(F)cc1 3116764 FMUIZIDUWBTLNA-UHFFFAOYSA-N 357.837 5.883 0 40 FKAB Brc1cc(Br)c2nc(-c3ccsc3)ccc2c1 4049920 YOUUKDLWDZOGBL-UHFFFAOYSA-N 369.081 5.488 0 40 FKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccccc3Cl)s2)c1C 4070359 NELQRJMSDQUMNA-UHFFFAOYSA-N 371.893 5.344 0 40 FKAB O=[P@]1(O)C=C(c2ccccc2)c2cc(Cl)c(Br)cc2O1 4536364 KOZDBMAZCBAQER-UHFFFAOYSA-N 371.554 5.070 0 40 FKAB Cc1sc2nc(SCc3ccccc3)[nH]c(=O)c2c1-c1ccccc1 4649958 DCGSDCSMUCSNCH-UHFFFAOYSA-N 364.495 5.252 0 40 FKAB CC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)[C@H](C)c1cccs1 5498827 BZQNDPCRIURTJK-OXQOHEQNSA-N 351.556 5.279 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2ccccc2)cc1 5685190 JLXRDECTTZISEH-UKTHLTGXSA-N 368.263 6.312 0 40 FKAB CSc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 6152578 IXQUPIIKBGLGJQ-UHFFFAOYSA-N 356.672 5.077 0 40 FKAB COc1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 6407297 PVDHBSHRFXSBJD-UHFFFAOYSA-N 373.477 6.310 0 40 FKAB Cc1c(NC(=O)Nc2ccccc2)cccc1NC(=O)Nc1ccccc1 6921323 MZAGJFHIXUGZHJ-UHFFFAOYSA-N 360.417 5.283 0 40 FKAB O=C(c1cccs1)N(CC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 8816119 MLTMDDVXHKEMIZ-UHFFFAOYSA-N 369.505 5.750 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ccc2c(c1)OCO2 10406484 MWVGUURKHBRWCW-UHFFFAOYSA-N 353.462 5.233 0 40 FKAB COc1ccc(/C=C(/C(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2)cc1 10449663 HCNLRHGTXTUJGK-LWJGVMBGSA-N 369.464 5.214 0 40 FKAB Cc1ccc(CNCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 10475386 WTNBQFKWANCBRH-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1F 12579879 IZGWGYHGOJLFQI-FXAWDEMLSA-N 368.408 5.269 0 40 FKAB O=C(CCCc1cccs1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 12801620 XSCBUAHKPOTRGO-JOCHJYFZSA-N 361.510 5.245 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 14914712 AYNHTUZCRGMWBB-VIFPVBQESA-N 360.693 5.766 0 40 FKAB CCc1nnc(-c2cc3ccccc3n2Cc2cccc(C(F)(F)F)c2)o1 15881410 DBEDCRNURHFFIP-UHFFFAOYSA-N 371.362 5.321 0 40 FKAB O=C1CS[C@@H](c2ccccc2F)N1c1ccccc1Oc1ccccc1 17198358 DLMOVKXPJGUYDQ-NRFANRHFSA-N 365.429 5.397 0 40 FKAB CSc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)cc1 18185746 LVMDKRFZEHWSHD-UHFFFAOYSA-N 362.498 5.051 0 40 FKAB CC[C@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1[C@H](C)CC 19737627 XRMJWJCEFVDYMB-CRAIPNDOSA-N 365.439 6.488 0 40 FKAB C[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(F)cc1 20456067 JTKTZGREYCFSQK-AWEZNQCLSA-N 364.445 5.899 0 40 FKAB Cc1ccccc1CC(=O)Nc1ccccc1SCc1ccsc1 30065306 BRNIBCOPOUDLDS-UHFFFAOYSA-N 353.512 5.530 0 40 FKAB ClC1(Cl)C[C@@H]1CSc1nc(-c2ccco2)nc2ccccc12 32868677 ULBVNXQNJHHZSR-SNVBAGLBSA-N 351.258 5.176 0 40 FKAB COc1ccc(C2=N[C@@H](c3cccs3)N=C(c3ccccc3)S2)cc1 59488729 KJUSIEFLEAKROQ-SFHVURJKSA-N 364.495 5.396 0 40 FKAB O=C(CCc1ccc(Br)cc1)c1c(Cl)cccc1Cl 85651961 QZKWXHPGSSHXNL-UHFFFAOYSA-N 358.062 5.571 0 40 FKAB COc1ccc(-c2c/c(=N/c3cccc(OC)c3)c3ccccc3o2)cc1 100341061 HCQWIQFHPOIOFE-FLFQWRMESA-N 357.409 5.349 0 40 FKAB biogenic Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 107915616 ADGMPUOGZXKZGA-YLJYHZDGSA-N 350.418 5.130 0 40 FKAB O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 223276840 ZWVPFSAGNHKUHY-UHFFFAOYSA-N 372.251 5.967 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 223442494 MGHOKLAOWJZLNQ-ROUUACIJSA-N 373.924 5.527 0 40 FKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1cccc(C)c1 224108482 RIEXTEMCNRLBML-UHFFFAOYSA-N 361.441 5.143 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224452894 DTODZTKARYFKSM-HSZRJFAPSA-N 374.484 5.085 0 40 FKAB Cc1ccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225389492 IEPSQCIWFZQCAL-UHFFFAOYSA-N 368.546 5.236 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225511108 IYOCNYPWTOBDRB-UHFFFAOYSA-N 351.490 5.461 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225517646 QFNNASKSDUEZSZ-UHFFFAOYSA-N 369.480 5.764 0 40 FKAB CCCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccccc1 408561396 IVNPYSMISDRAFS-LNVKXUELSA-N 368.477 5.069 0 40 FKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 1618095 JQLNFODDCYXPCO-CNAUTRJHSA-N 364.485 6.430 0 40 FKAB Cc1cc(Cl)nc2ccc(Cc3ccc4nc(Cl)cc(C)c4c3)cc12 1701460 RVHRUJSUMLKIHE-UHFFFAOYSA-N 367.279 6.297 0 40 FKAB in-vitro CSc1nc(-c2ccccc2)nc2sc3c(c12)C[C@H](C(C)C)OC3 2221079 PTHKYQQUQWSFNL-CQSZACIVSA-N 356.516 5.178 0 40 FKAB CCCCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2405474 INAGZGONEGSFRK-UHFFFAOYSA-N 350.853 5.490 0 40 FKAB FC(F)(F)c1ccc(CSc2ncnc3c2oc2ccccc23)cc1 2722819 HVEFSWBTZFWZAF-UHFFFAOYSA-N 360.360 5.687 0 40 FKAB Clc1ccc(-c2cc(-c3nnc4n3CCCCC4)c3ccccc3n2)cc1 3265024 BIXSQXUNILNRJU-UHFFFAOYSA-N 374.875 5.540 0 40 FKAB C[C@H]1CCCC[C@@H]1N(C(=O)c1ccccc1Cl)C1=NC(C)(C)CS1 3266682 QBUFMUTVTVOSTG-BBRMVZONSA-N 364.942 5.242 0 40 FKAB CCOc1ccccc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 3455945 MPMVLTDWOKLLDB-UHFFFAOYSA-N 351.446 5.445 0 40 FKAB Cc1ccccc1C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655357 MXNPCOCCQWLMBO-UHFFFAOYSA-N 373.383 5.364 0 40 FKAB c1ccc(C(c2ccccc2)(c2ccccc2)c2cc3ccccc3[nH]2)cc1 4127665 BYPZRRDNSPBCBQ-UHFFFAOYSA-N 359.472 6.551 0 40 FKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4170579 RWCQBUWGKJOPGW-REWPJTCUSA-N 358.441 5.645 0 40 FKAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)OCCOC 4411079 LKTMQTARNSGNGM-FQEVSTJZSA-N 358.563 5.408 0 40 FKAB O=C(OCCN1CCCC12CCCCC2)[C@H](c1ccccc1)[C@H]1C=CCC1 4538934 DMBOPNLNZCYIRI-FCHUYYIVSA-N 367.533 5.078 0 40 FKAB C[C@H]1CC=CC[C@H]1COC(OC[C@@H]1CC=CC[C@@H]1C)[C@@H]1CC=CC[C@@H]1C 4578695 WAEPJRAKLSUPKF-RCTKEMKKSA-N 358.566 6.153 0 40 FKAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(C)cc1C 5952279 VTCOPXARAIGBHJ-UHFFFAOYSA-N 351.475 5.027 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(Br)c3)o2)cc1C 6846296 DFFSIEWEXNJBDH-UHFFFAOYSA-N 370.246 5.578 0 40 FKAB CCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 7261661 RGMZYUUKGATUNS-UHFFFAOYSA-N 372.723 6.116 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1C(F)(F)F 7642054 ZLUKXKVGZRZTFI-UHFFFAOYSA-N 366.339 5.220 0 40 FKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)oc2c1 9141139 HISIGICOVKPRBU-UHFFFAOYSA-N 362.816 5.709 0 40 FKAB CCn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1 9594377 YESOISDXQUKEGS-SFHVURJKSA-N 369.921 5.711 0 40 FKAB Cc1cc(-c2csc(-c3ccsc3)n2)c(C)n1CCCCCC(=O)O 12896914 LCSQZAQXIXGZFY-UHFFFAOYSA-N 374.531 5.602 0 40 FKAB C(=C(\Oc1ccccc1)c1nc2ccccc2s1)\c1ccc2c(c1)OCO2 13408283 CPUGODKJVNXCFG-MOSHPQCFSA-N 373.433 5.602 0 40 FKAB CCOc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 13595424 PQXPJUKBZBOYNB-UHFFFAOYSA-N 357.457 5.095 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(F)cc3F)o2)cc1Cl 17076524 YNQBVPXBFUDLQG-RMKNXTFCSA-N 373.786 5.839 0 40 FKAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577035 SZDBPLAUUSUWTA-UHFFFAOYSA-N 370.468 5.247 0 40 FKAB CC(C)(C)c1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 27993896 FMEFOPABSITZBK-UHFFFAOYSA-N 364.514 5.080 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(C(C)C)cc4)c4c3n2CCCC4)cc1 28047821 GIGLCEZWHGICSN-UHFFFAOYSA-N 368.524 6.843 0 40 FKAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)o1 29885028 LHZBFUGJAFMVIM-SUMWQHHRSA-N 353.393 5.074 0 40 FKAB O=C1C[C@H](c2cccc(Cl)c2)c2snc(-c3ccc(F)cc3)c2N1 35324485 WLOOHWGUECWPBZ-CQSZACIVSA-N 358.825 5.077 0 40 FKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1Cl 48544533 UZOLSFONOBLHMW-FMIVXFBMSA-N 353.805 5.261 0 40 FKAB C[Si](C)(C)C1=C[C@@H]([Si](C)(C)C)C([Si](C)(C)C)=C[C@H]1[Si](C)(C)C 169816689 HDFLQRJSCHMOCV-CRAIPNDOSA-N 368.862 7.024 0 40 FKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214376820 QEKZRICEIDUIPZ-JOEZZVDMSA-N 353.418 5.009 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 223764479 WFYBUZSYORNGCS-OALUTQOASA-N 353.506 5.023 0 40 FKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COC(C)C 224716087 ABUOQVHWOQJEIP-UHFFFAOYSA-N 361.869 5.224 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224935792 MORCCHKCOKOLPZ-FQEVSTJZSA-N 372.896 5.045 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1F 225697858 SHYIQXBSDVYBHO-UHFFFAOYSA-N 358.265 5.313 0 40 FKAB Cc1cc(NC(=S)N[C@@H](C)c2ccccc2C)ccc1Br 225753143 WPBWPSOSLUYJTG-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)c(C)c1 225867091 UCIKODGSGXQSOO-MBSDFSHPSA-N 365.517 5.217 0 40 FKAB CCCCc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 226762404 WDAYRGBMAMKJGG-UHFFFAOYSA-N 360.295 5.477 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408680572 NPGMOXUCONPUGI-MRXNPFEDSA-N 371.786 5.463 0 40 FKAB Cc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1 409193930 IBWDODCIOPVXAH-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 904696 GCPRGRJLPMDWQA-UHFFFAOYSA-N 366.486 5.369 0 40 FKAB COc1cnc(-c2ccccn2)nc1Sc1c(Cl)cccc1Cl 1381872 UUDMVIMMEVTSAD-UHFFFAOYSA-N 364.257 5.005 0 40 FKAB Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc4ccccc4n3)c(C)s2)n1 1399578 VZMYICSSBIRECW-UHFFFAOYSA-N 374.391 5.180 0 40 FKAB CC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C 1412567 GTZVMLBDLMWVMM-RXVVDRJESA-N 362.494 5.763 0 40 FKAB CCc1ccc(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)cc1 1974576 CDWUGXXWOZEYBT-KPKJPENVSA-N 352.434 5.164 0 40 FKAB COc1ccc(CCCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 2049647 MRSGZBUIACOESE-UHFFFAOYSA-N 366.486 5.089 0 40 FKAB c1ccc2c(C3=NNC4(CCCCCCCCCCC4)S3)cccc2c1 2052222 QTGPVWHJSGJJNR-UHFFFAOYSA-N 366.574 6.839 0 40 FKAB COc1ccc(-c2c(-c3ccccc3)c3cc(C)ccc3oc2=O)cc1OC 2581742 RLFRFJYAYVDRLC-UHFFFAOYSA-N 372.420 5.453 0 40 FKAB biogenic COc1ccc(-c2nnc(SCc3ccccc3C)n2C(C)C)cc1 3364569 SYMSYIOJZJJTJJ-UHFFFAOYSA-N 353.491 5.135 0 40 FKAB Cc1ccc(NC(=O)[C@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1 3440674 GKCYSKLBXNEFMU-DNQXCXABSA-N 370.496 5.342 0 40 FKAB Clc1ccc(Nc2c(-c3cccs3)nc3ccc(Cl)cn23)cc1 3909923 VYJNYTKJFCONLV-UHFFFAOYSA-N 360.269 6.113 0 40 FKAB CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccccc1 4043163 HMULUHVFBQLXOY-DEOSSOPVSA-N 367.533 5.652 0 40 FKAB biogenic S=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl 4046459 GHQICPHXQQASJG-UHFFFAOYSA-N 367.905 5.134 0 40 FKAB CC(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@H]2[C@@H]1c1cccs1 4113955 GAMINHVCFGHOCG-JENULPTLSA-N 356.516 5.199 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccnc2)N3)C1 4122632 NFVCBBGNDMXPBY-CXAGYDPISA-N 355.507 5.113 0 40 FKAB CCOc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1 4140751 PWSKOGHHXQJEBR-UHFFFAOYSA-N 357.413 5.145 0 40 FKAB Fc1ccc(-c2csc3ncnc(Oc4cccc5cccnc45)c23)cc1 4748064 LMILEPKXRMPLBX-UHFFFAOYSA-N 373.412 5.838 0 40 FKAB C[C@H]1CCc2c(sc3ncnc(Nc4ccccc4OC(F)F)c23)C1 5935528 SECVRQKXKQXJKK-JTQLQIEISA-N 361.417 5.161 0 40 FKAB COc1cc(SC)ccc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5937305 GOCKRZSJZGNTSB-SNVBAGLBSA-N 370.301 5.215 0 40 FKAB S=C(Nc1ccc(Cl)c(Cl)c1)SCc1ccc2c(c1)OCO2 6513385 PFGIIZKUXHDGOT-UHFFFAOYSA-N 372.298 5.352 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc(C)cc(C)c2)cc1 6845718 XMUDLFZOYMDDCV-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1C1CC1 8334193 IQSTULOEEBHWSL-PXLXIMEGSA-N 354.453 5.659 0 40 FKAB Fc1ccc(-c2cnc(CSc3ncc(-c4ccc(F)cc4)o3)o2)cc1 10848215 DYDXSGMUUKWMNA-UHFFFAOYSA-N 370.380 5.567 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11479452 RDYBRFZRTVTRHS-UHFFFAOYSA-N 358.800 5.014 0 40 FKAB CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccccc1C 13325549 CSFOPKNJDQFOEN-UHFFFAOYSA-N 361.873 5.358 0 40 FKAB Cc1cc(C)cc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 13364402 FJFMICZASQXJBC-NRFANRHFSA-N 373.431 5.694 0 40 FKAB Cc1ccc(-c2cc(Nc3ccc(O)cc3)nc(SCC(C)C)n2)cc1 15859166 UANYPFLYOULWAS-UHFFFAOYSA-N 365.502 5.649 0 40 FKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(CC)cc2)cc1OCC 16317324 UKMIRQUYUDFXEQ-HNNXBMFYSA-N 372.534 5.094 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2ccc(Cl)cc2s1 16399370 XFPLDTIHZPWWTA-UHFFFAOYSA-N 371.771 5.613 0 40 FKAB CCCCCOc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1 19738209 BHQXTVHCQIDMML-UHFFFAOYSA-N 355.522 6.293 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(Cl)cc1 20041681 ICRJEAGMQJWQIT-FQEVSTJZSA-N 367.876 5.309 0 40 FKAB Cc1cc2oc(C(=O)Nc3nc4c(s3)CCCC4)c(C)c2cc1Cl 20894583 NQLPIWZPDUUWFR-UHFFFAOYSA-N 360.866 5.291 0 40 FKAB Cc1nc2cc(NCc3cc(=O)oc4cc(C)c(C(C)C)cc34)ccc2o1 21794731 MOVDWYWQWCDFLC-UHFFFAOYSA-N 362.429 5.287 0 40 FKAB COc1ccc2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)[nH]c2c1 32760634 HKYYHPFCIMVYET-UHFFFAOYSA-N 357.413 5.172 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 33597033 PUFBECYWDSUZHU-HNNXBMFYSA-N 372.843 5.797 0 40 FKAB Cc1ccc2c(c1C)O[C@@H](C)C=C2COc1ccc(-c2ccccc2)cc1 41105105 UDJODLSTOKCENF-SFHVURJKSA-N 356.465 6.214 0 40 FKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 59267347 HRXHZHIFKHNLHA-NSHDSACASA-N 357.759 5.073 0 40 FKAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(C2SCCS2)cc1 95947638 AUEBQTDVFBLZSM-UHFFFAOYSA-N 373.547 5.119 0 40 FKAB O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1ccccc1N1CCCCC1 96402191 RNEUPZBXDRCLPS-ICFOKQHNSA-N 374.406 5.261 0 40 FKAB COc1cccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 104172000 CSIWMQUUJZZHIW-HSZRJFAPSA-N 371.461 5.946 0 40 FKAB CCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccccc1 105713442 BQUOKEKSWAUABQ-DYTRJAOYSA-N 363.313 6.166 0 40 FKAB COc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 107024389 XOXGUZSMGDXAFH-UHFFFAOYSA-N 353.849 5.540 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(C(C)C)cc1 222975353 QBNSGKDICPVFGY-QFIPXVFZSA-N 367.533 5.333 0 40 FKAB CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223108441 GPDWLIZMIMPUKC-FQEVSTJZSA-N 353.531 5.559 0 40 FKAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224177859 VQSOIQXMNBBPQC-INIZCTEOSA-N 369.505 5.100 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 225820021 WSFUGIVMIGHRDG-LEWJYISDSA-N 369.505 5.045 0 40 FKAB O=C(CCCCCn1cccc1)N1CCC[C@@H]1c1nc2ccccc2s1 604418617 KUUVMGGKBUEGLQ-GOSISDBHSA-N 367.518 5.022 0 40 FKAB O=C(O[C@H]1C[C]2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 1560411611 MVRBTTQQJLECBR-GOTSBHOMSA-N 360.477 5.308 0 40 FKAB CC1(C)C[C@@H]2CN(C(=O)CC3CCCCC3)CC[C@@H]2N1c1cccc(F)c1 1615154993 HEXZCXWADQLXPU-NQIIRXRSSA-N 372.528 5.002 0 40 FKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 706348 UCLSRUFXHQSWMM-OSXLHZELSA-N 373.883 5.822 0 40 FKAB C[C@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)Nc2ccccc2)C1 722372 IWDRTHCMEZSHIP-ZDUSSCGKSA-N 370.518 5.110 0 40 FKAB CCOc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2c1 944847 IFDROHWKTOLHIQ-UHFFFAOYSA-N 367.257 5.254 0 40 FKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C)c(Cl)c1 1265730 VZSKZACDWIDYNJ-GQCTYLIASA-N 370.663 5.616 0 40 FKAB CCCc1cc2c(=S)c(-c3cc4ccccc4o3)coc2cc1OC 1504398 ZBFSDYUVKWGOTI-UHFFFAOYSA-N 350.439 6.537 0 40 FKAB biogenic CCN(CC)[P@@]1(=O)OC(c2ccccc2)=CCN1c1ccc(OC)cc1 1577782 WAUAUSFQZXLBJF-AREMUKBSSA-N 372.405 5.023 0 40 FKAB Cc1ccc(C(=O)c2ccccc2Cc2cccc3ccccc23)c(C)c1 1656976 WGCWXXTWCQWHSI-UHFFFAOYSA-N 350.461 6.278 0 40 FKAB CCCSc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 2221587 MOWXRBPQMUTPIP-MRXNPFEDSA-N 354.566 5.157 0 40 FKAB CC1(C)C[C@](C)(c2ccc(F)cc2)c2ccccc2N1C(=O)c1ccccc1 2323058 NWTGVHIXICBDTD-RUZDIDTESA-N 373.471 5.961 0 40 FKAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)cc1 2354179 NEBGTEKZYWRZQU-UHFFFAOYSA-N 355.397 5.078 0 40 FKAB COc1ccc(-c2c(-c3ccccc3)c3ccc(C)cc3oc2=O)cc1OC 2581743 QZZYUBZQWOPIPV-UHFFFAOYSA-N 372.420 5.453 0 40 FKAB biogenic O=C(NC1CCCCCC1)c1cccc(COc2ccc3c(c2)CCC3)c1 2769952 XGIRKGFNHJTHOH-UHFFFAOYSA-N 363.501 5.207 0 40 FKAB C[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2C1 5688287 WBWBTRGMFZCZSA-HNNXBMFYSA-N 354.519 5.116 0 40 FKAB CCN(CC)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 6949571 HAOHCSUDNWLCDT-UHFFFAOYSA-N 372.512 5.299 0 40 FKAB O=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1Cc1ccco1 7112553 GUVFFNJMXKDRIP-GOSISDBHSA-N 372.346 5.065 0 40 FKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccco2)cc1 7523691 XTZWWHMKHYTYNI-UHFFFAOYSA-N 362.256 5.455 0 40 FKAB C[C@H]1CCCC[C@H]1NC(=S)N(C)C(c1ccccc1)c1ccccc1 7637420 HUWABKCWWUAPQK-FXAWDEMLSA-N 352.547 5.161 0 40 FKAB Cc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1 8076332 VUHRYJGDWDMVIB-UHFFFAOYSA-N 366.471 5.078 0 40 FKAB C[n+]1ccc(/C=C/c2cn(Cc3ccccc3)c3ccc(Cl)cc23)cc1 8741485 RFFMPAQTSBRLFY-UHFFFAOYSA-N 359.880 5.338 0 40 FKAB O=C(Cc1cccs1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185239 YOAPFVCLEUNUNS-INIZCTEOSA-N 372.515 5.151 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)c(F)c3)ccc2c1 12739866 POYDNZWMLQDODI-KGLIPLIRSA-N 369.411 5.108 0 40 FKAB Cc1cccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)c1 13756284 FDUDNSFVACSUCO-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB C[C@H]1CCc2c(-c3n[nH]c(=S)n3[C@@H](C)c3ccccc3)csc2C1 13950203 ANPFXFLVVYEHRV-STQMWFEESA-N 355.532 5.403 0 40 FKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Cc1ccccc1 14257880 RQKSDIRJDAZFSQ-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccccc1Cl 14638750 IGQZOHJLRUMTAZ-UHFFFAOYSA-N 367.832 5.050 0 40 FKAB Cc1cc(C)c(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(Cl)c1 20010429 BGFZBXGGHGSVJT-VOTSOKGWSA-N 354.664 5.916 0 40 FKAB Fc1ccc(CCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 22076511 KNPFYYKPGNTDLO-UHFFFAOYSA-N 364.247 5.725 0 40 FKAB Cc1cccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCCCC2)c1 22757476 PXKYJKJVBYDUFL-UHFFFAOYSA-N 355.869 5.659 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2n1 28577064 NWSATMPYRFXDMK-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OC 33660471 CRJWLSPSSWISET-UHFFFAOYSA-N 369.848 5.543 0 40 FKAB COc1ccc(Nc2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)cc1 40216765 NZCYODGTCXJBRX-UHFFFAOYSA-N 358.445 5.074 0 40 FKAB COc1cc(Cl)c(C)cc1NC(=O)Nc1ccccc1C(F)(F)F 51354251 LEAWJQVNKGUQAE-UHFFFAOYSA-N 358.747 5.320 0 40 FKAB Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1 71326096 GGDLFUIYKKFCCO-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB O=C(c1ccco1)c1coc2ccc(OCc3ccc(Cl)cc3)cc12 96184248 OFNBKMQIMXIKST-UHFFFAOYSA-N 352.773 5.489 0 40 FKAB Cc1c(-c2nnc3sc(-c4ccc(C(C)C)cc4)nn23)oc2ccccc12 96194103 IXKFKUKEHAJYFW-UHFFFAOYSA-N 374.469 5.698 0 40 FKAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 218938211 XWCMKQPJTCZJSB-HNNXBMFYSA-N 359.897 5.202 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1Cl 222995917 IMYMCTZCARQFJL-CVEARBPZSA-N 371.908 5.172 0 40 FKAB CC(C)Oc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 223019374 XMEACJOIQGFRHV-UHFFFAOYSA-N 367.873 5.138 0 40 FKAB CC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957978 FQDKJXSQNRQOQX-ZDUSSCGKSA-N 354.837 5.190 0 40 FKAB CCCOC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225484787 NJWNXPYGULMKPU-UHFFFAOYSA-N 374.484 5.042 0 40 FKAB CCCOC1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCCCC1 225658424 BJDGCVQXYATRDN-GOSISDBHSA-N 361.526 5.549 0 40 FKAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1C 225756654 MVRTYJRSZUURFL-MRXNPFEDSA-N 352.425 5.452 0 40 FKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)NC2CCCCC2)c1 225758051 ZAFXYUBZQOUMCV-UHFFFAOYSA-N 374.868 5.595 0 40 FKAB Fc1ccc(C2(CNC(=S)Nc3cccc(Cl)c3)CCCC2)cc1 225809837 CBDCZHVXKSDILW-UHFFFAOYSA-N 362.901 5.278 0 40 FKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225847155 JPSOMSHYUSHBBN-HSZRJFAPSA-N 371.521 5.941 0 40 FKAB CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409113801 FPLSWNBVXHPUCM-UHFFFAOYSA-N 363.457 5.888 0 40 FKAB CC(C)c1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1 876009 FOLWIFWMAIFKDF-UHFFFAOYSA-N 358.438 5.203 0 40 FKAB O=C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1cccs1 1071100 ACNQOTRADIFHKT-UHFFFAOYSA-N 362.479 5.738 0 40 FKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NC(C)C)ncnc32)cc1 1447732 MOHOPMSFEJTUGK-UHFFFAOYSA-N 372.472 5.307 0 40 FKAB CC(C)(C)c1ccc(SC(=O)Nc2cccc(Cl)c2Cl)cc1 1738545 WERVYJMRGDNPFQ-UHFFFAOYSA-N 354.302 6.615 0 40 FKAB CCc1c(C)sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1C(=O)OC 2084240 MCWOGLKZVQKVLM-FMIVXFBMSA-N 371.502 5.181 0 40 FKAB CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 2094042 PLTJMXYDPLVCKQ-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 2465609 HZSVNSHDFDKZCS-YWZLYKJASA-N 358.869 5.036 0 40 FKAB Cc1ccc(F)cc1NC(=O)CCCSc1nc2ccccc2s1 2621162 FHCBLPRIUVNAMS-UHFFFAOYSA-N 360.479 5.255 0 40 FKAB COc1ccc(C)c2sc(NC(=O)c3cc(Cl)ccc3Cl)nc12 2713923 LUIKQIFNGNWZLG-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB O=S(=O)(NC1CCCCCCCCCCC1)c1ccc2ccccc2c1 3184365 BRZUVORICLFJJW-UHFFFAOYSA-N 373.562 5.791 0 40 FKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 4031742 UTWPTPDFROVACM-UHFFFAOYSA-N 372.449 5.418 0 40 FKAB Cc1ccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 4482021 SITHMOVLUSCACU-CQQIWXSWSA-N 352.305 5.098 0 40 FKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 4666407 FBGSJYXMIUXBMT-ZDUSSCGKSA-N 350.289 5.934 0 40 FKAB COc1ccc(/C=C\c2cc(/C=C\c3ccc(OC)cc3)c(N)cc2N)cc1 4830625 RXBPXGIEMLRJMB-UIYSNZQUSA-N 372.468 5.209 0 40 FKAB Cc1cccc(C(=O)Oc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 4866250 AFHHRBWFIFGXAJ-UHFFFAOYSA-N 359.450 5.799 0 40 FKAB O=c1c2snc(-c3ccc(Cl)cc3)c2ncn1CCC1=CCCCC1 4881331 RFAUPHDBJUBECY-UHFFFAOYSA-N 371.893 5.064 0 40 FKAB C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2 4899325 NNLZRTQGMULSBB-UZQXPDGISA-N 365.561 5.682 0 40 FKAB Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1 5258498 CSUHMEZIJHAPIP-UHFFFAOYSA-N 352.433 5.481 0 40 FKAB COc1cc2c(cc1OC)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)CC2 5428734 TUKNVSPTFVGHSE-LBPRGKRZSA-N 366.288 5.130 0 40 FKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1-c1ccccc1 5471307 WCESHIWDKQXUMW-GOSISDBHSA-N 373.496 6.057 0 40 FKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 5881178 YMBHXVGGTJBPFG-SNVBAGLBSA-N 374.720 5.444 0 40 FKAB O=C(O)c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 7097214 WVODSHVBWGHTJF-IMSXRSKXSA-N 367.448 5.878 0 40 FKAB Clc1ccc(-c2noc(CSc3nc4ccccc4s3)n2)cc1 7338887 ALLQSSJLWSNDFZ-UHFFFAOYSA-N 359.863 5.292 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 8040919 XOVQXWHYJJCFMY-GOSISDBHSA-N 361.441 5.502 0 40 FKAB Cc1ccc(Cl)cc1-n1ncc2c(Nc3cccc(Cl)c3)ncnc21 10386699 CGYHYWCJPRWWCA-UHFFFAOYSA-N 370.243 5.174 0 40 FKAB COc1ccccc1NC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 11009207 MQPBKICVAWZRMI-OAQYLSRUSA-N 364.420 5.088 0 40 FKAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1c(Cl)cccc1Cl 12676588 KTYUYCLBYJNXIG-SJCJKPOMSA-N 363.288 5.061 0 40 FKAB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 12775650 LFGLNXLWOPZNSE-MRXNPFEDSA-N 358.466 5.239 0 40 FKAB CC(C)[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1 12870532 LYCLPIROTNNXRW-GOSISDBHSA-N 374.506 5.067 0 40 FKAB CSc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 12993843 KUPJMHSKHBHUCC-UHFFFAOYSA-N 370.499 5.005 0 40 FKAB COc1cc2c(cc1NC(=S)Nc1cccc(C)c1)oc1ccccc12 13479183 YNKWSOWJVFVFSC-UHFFFAOYSA-N 362.454 5.712 0 40 FKAB FC(F)(F)c1ccc(Cl)c(NC(=S)Nc2ccc(Cl)cc2)c1 13792009 KSWDXXJXKYBSBH-UHFFFAOYSA-N 365.207 5.821 0 40 FKAB O=C(Nc1ccccc1)Nc1ccccc1COC(=O)Nc1ccccc1 19075414 JZRMGXUGDZADRF-UHFFFAOYSA-N 361.401 5.079 0 40 FKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(Cl)c1Cl 32611703 PQHRQTBICPXWRW-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccccc1C(F)(F)F 32753679 QWYGPCXSLHDJEK-UHFFFAOYSA-N 350.727 5.159 0 40 FKAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)sc2nc(C(F)(F)F)ccc12 32809494 CWUNPYPYURQVFQ-CMPLNLGQSA-N 370.440 5.274 0 40 FKAB COc1ccc(-c2nc(CSc3ccc(F)cc3)cs2)c(OC)c1 36729246 OUILQYPQZKSYPI-UHFFFAOYSA-N 361.463 5.259 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cccnc3SC)ccc21 48247905 HGPZILRDZCQLTP-UHFFFAOYSA-N 361.470 5.184 0 40 FKAB CC1(C)[C@@H]2CC[C@H](C2)[C@]1(O)CSCc1cccc(Oc2ccccc2)c1 102447856 CULVDJPYQHYKQJ-DNVFCKCGSA-N 368.542 5.899 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222971540 ILWZFAIBVCQYCI-XMSQKQJNSA-N 365.517 5.217 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc2c(c1)CCCC2 223086062 CTIJFJQKHJOSLI-MGPUTAFESA-N 371.908 5.254 0 40 FKAB COCc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 223444132 QWNXTZNAYHTLDI-UHFFFAOYSA-N 370.301 5.012 0 40 FKAB Cc1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1C 224244483 SLXCFSUIEXABAQ-UHFFFAOYSA-N 361.510 6.026 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224286385 UZAMBXLBSXRYLS-INIZCTEOSA-N 367.448 5.498 0 40 FKAB CCCOC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225431994 DMJKIZKQBBCOCC-UHFFFAOYSA-N 362.429 5.372 0 40 FKAB CCC1(CC)C[C@H](NC(=O)Cc2ccccc2Cl)c2ccccc2O1 225434432 GMOHELXOJFOOKF-SFHVURJKSA-N 357.881 5.081 0 40 FKAB COc1cc(C)c(C(=O)NCc2ccc(Cl)cc2Cl)cc1C(C)C 225656851 RJOSZTLLZXTXFR-UHFFFAOYSA-N 366.288 5.364 0 40 FKAB FC(F)(F)c1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 225849632 QRZNLRXBIRHAPR-UHFFFAOYSA-N 370.465 5.523 0 40 FKAB Clc1ccc(-c2ccc(CNc3ccccc3N3CCOCC3)o2)cc1 226240311 BTKKQGKBIFIMIT-UHFFFAOYSA-N 368.864 5.049 0 40 FKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc(F)cc1Cl 390826691 OPJNZNMHLQWAGY-OAHLLOKOSA-N 351.855 5.122 0 40 FKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 409114967 FXNMUEWYXXVZSX-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1ccccc1NCc1ccc(OCc2ccccc2Cl)c(Cl)c1 409121720 VTCKJJWTWLMRHT-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1cc(-c2nnc(CN[C@H]3CC(C)(C)CCc4ccccc43)o2)c(C)o1 516238205 SXOIZCFYIWWCLR-IBGZPJMESA-N 365.477 5.140 0 40 FKAB Cc1cc(=O)oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc12 842813 KFGQFOBSGBDRLM-UHFFFAOYSA-N 358.393 5.473 0 40 FKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C(F)(F)F)c1 949557 LUGRCBIQBTUZCN-UHFFFAOYSA-N 374.362 5.482 0 40 FKAB S=C(Nc1cccc(Cl)c1)N1CCS[C@H]1c1ccc(Cl)cc1 1441163 ZNPZZYPUCSBDMF-HNNXBMFYSA-N 369.342 5.438 0 40 FKAB Fc1ccccc1Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 1444405 STMHCRSDMYOSHL-UHFFFAOYSA-N 366.823 5.456 0 40 FKAB CCCCCCc1c(C)c2ccc(O[C@@H]3CCCCC3=O)c(C)c2oc1=O 2094581 AJZGNTQMBHDQGP-OAQYLSRUSA-N 370.489 5.423 0 40 FKAB biogenic CSc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 2186305 QKVCNPXZSACQTB-UHFFFAOYSA-N 374.553 6.051 0 40 FKAB CC(C)(C)C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 2415651 RHSZMDRXCZEYFA-UHFFFAOYSA-N 356.516 5.573 0 40 FKAB Cc1ccccc1NC(=O)OCc1cccnc1Oc1ccc(Cl)cc1 3105763 WKGKZXOKDMWIDV-UHFFFAOYSA-N 368.820 5.584 0 40 FKAB Cc1csc(NC(=O)c2cccc(CSc3ccc(Cl)cc3)c2)n1 3326634 KGNGJNVHJRCUAR-UHFFFAOYSA-N 374.918 5.650 0 40 FKAB Cc1ccc(N[C@@H](c2c[nH]c3ccccc23)P2(=O)O[C@@H](C)[C@H](C)O2)cc1 3877393 SUJTZZWELBPEGF-AUSJPIAWSA-N 370.389 5.604 0 40 FKAB C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4555389 NDHOPVCXDQDCPC-HEGQMBHGSA-N 357.497 5.072 0 40 FKAB C[C@@H]1C[C@](C)(C(=O)NCc2ccco2)[C@H](c2ccccc2)c2ccccc21 4852546 ALRCIZCYZVAYTB-BSDZUQITSA-N 359.469 5.241 0 40 FKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(C)c4C)c3c2c1 4970204 VBNUOBUMDLPMQQ-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3)o2)cc1 7070870 IHHGTCWMXXPKMS-UHFFFAOYSA-N 368.436 5.247 0 40 FKAB O=C(NCc1ccc(F)cc1)c1ccccc1SCc1ccccc1 7684688 GWKAJHCXYNGPGM-UHFFFAOYSA-N 351.446 5.048 0 40 FKAB COc1ccc(-c2nc3cc(NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 8335547 WNTKNKYVDUDREM-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB C[C@@H](NCc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 8535350 DPKVWQHIINHQNP-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB CCc1sc(-c2nnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1C 8734816 QURFDMKPAFAQMU-LBPRGKRZSA-N 361.898 5.173 0 40 FKAB Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 9198859 FTAGUNKNNBUVDX-UHFFFAOYSA-N 365.285 5.568 0 40 FKAB CN(C(=O)/C=C/c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 10802812 MRLJXQAACUZRNU-QZMUEMGWSA-N 351.446 5.148 0 40 FKAB CC(C)(C)c1ccc(Oc2ccccc2/C=C2\SC(=O)NC2=O)cc1 12856075 MVVSIZNXRWQGKM-ATVHPVEESA-N 353.443 5.100 0 40 FKAB COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC(C)C 13057394 SSXWKZYAZSBOCE-JXMROGBWSA-N 359.853 5.096 0 40 FKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 13710469 XMAXXEGQJJTBMK-LBPRGKRZSA-N 371.786 5.382 0 40 FKAB S=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 13935948 JFKAXLDBRDHHPY-UHFFFAOYSA-N 352.890 5.744 0 40 FKAB COc1ccc(CCNc2ncnc3sc(-c4ccccc4)cc23)cc1 15346388 DLCPFKQURKCMMX-UHFFFAOYSA-N 361.470 5.022 0 40 FKAB Clc1snnc1CSc1nnc(-c2ccccc2)c2ccccc12 15518620 VQRWHQDFQLKYJE-UHFFFAOYSA-N 370.890 5.094 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(C)cc3)c2C)cc1 17076373 ODYNBSGESVIEHI-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB Cc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 17185956 QRZWTSWVWDYTRW-MOSHPQCFSA-N 359.450 5.385 0 40 FKAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1nc(-c2ccccc2)cs1 32597911 CPKQKGVAOXXTBD-KRWDZBQOSA-N 372.902 5.242 0 40 FKAB c1ccc(-c2cc(Nc3ccc4[nH]nc(-c5cccs5)c4c3)ncn2)cc1 41181220 WXNWWZHLSIUSCA-UHFFFAOYSA-N 369.453 5.492 0 40 FKAB CC[C@H]1CCCCN1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 95350314 ZCNYYUKFXNLSBT-IBGZPJMESA-N 356.441 5.201 0 40 FKAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 101220588 YQZRUXTVMXMGLO-UNMCSNQZSA-N 373.431 5.330 0 40 FKAB COc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)ccc1O 103930109 WPBNWMCMRZJJMA-NRFANRHFSA-N 364.445 5.272 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 216304735 WUHJWFLBAGRMKC-LLVKDONJSA-N 371.786 5.327 0 40 FKAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc2c(c1)CCCC2 223126792 IZLCZIIBABXSGA-QFIPXVFZSA-N 365.517 5.335 0 40 FKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223438930 HOMTVGAEYUEZEN-OAHLLOKOSA-N 361.466 6.014 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1ccccc1SCc1ccccc1 224092783 PLFLIXBTJWDWCG-SFHVURJKSA-N 355.547 5.925 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882163 NNZCJISPJBGVQH-CQSZACIVSA-N 373.758 5.035 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616253 DKMUQQQFXYXQPZ-SFHVURJKSA-N 363.542 5.588 0 40 FKAB CCOc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1 225848258 VYAKHZNJNARELM-UHFFFAOYSA-N 354.519 5.150 0 40 FKAB Clc1ccc(C2=N[C@H]3SC(c4ccc(Cl)cc4)=N[C@H]3S2)cc1 226757334 PTLPAFCOKOUSQS-HOTGVXAUSA-N 365.310 5.333 0 40 FKAB CC(C)CN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3ccccc3F)CC[C@@H]21 257233188 GOEUBHKNWCBLJT-SESVDKBCSA-N 370.443 5.178 0 40 FKAB CCc1ccc(NC(=O)c2ccc(-c3nc(C)sc3CC)cc2)cc1 408580219 NCHIFZNUDNLFBX-UHFFFAOYSA-N 350.487 5.496 0 40 FKAB c1ccc(Nc2ccccc2Nc2ccccc2Nc2ccccc2)cc1 1857793312 PUKLYMOOIRJRDS-UHFFFAOYSA-N 351.453 6.917 0 40 FKAB Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(Cl)cc4)c12)CCCC3 1805008 IXBVQFPHRNHTRV-UHFFFAOYSA-N 364.828 6.047 0 40 FKAB biogenic Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5o4)c(O)c3)oc2c1 1856472 BLBAPADRSOTHJN-UHFFFAOYSA-N 356.381 5.625 0 40 FKAB Cc1cc2ncn(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2cc1C 2357385 IJZSYEWMTHBAAF-QFIPXVFZSA-N 372.493 5.827 0 40 FKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)c(Cl)c1)C3 2418776 WKPKGMSVWMHPEB-UHFFFAOYSA-N 369.848 5.064 0 40 FKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(C2CCCCC2)cc1 2534575 NNLVWBSSZGUBTF-UHFFFAOYSA-N 359.922 6.119 0 40 FKAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc12 2697182 AXUDGGNSIMEVOA-UHFFFAOYSA-N 361.832 5.215 0 40 FKAB Clc1ccc(-c2onc3ccc(-c4ccnn4-c4ccccc4)cc23)cc1 3047150 VKKJGSVNJYOHAG-UHFFFAOYSA-N 371.827 6.001 0 40 FKAB c1ccc2c(c1)Cc1cccc(C3c4ccccc4Oc4ccccc43)c1O2 4023375 BEERYHVOMSJLOH-UHFFFAOYSA-N 362.428 6.669 0 40 FKAB biogenic CCCCCCN(CCCCCC)CC[C@H](O)c1ccc2ccccc2c1 4416112 UNMRNNPYWJZACC-VWLOTQADSA-N 369.593 6.726 0 40 FKAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(-c2ccccc2)cc1 4678500 NNHISYOGFRNNHC-UHFFFAOYSA-N 357.432 5.505 0 40 FKAB O=C(Nc1ccccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 4771077 OSKXBTZEGSXZRU-UHFFFAOYSA-N 374.827 5.081 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccc(C)cc2s1 5418109 BMJNUTDYYNSNKZ-UHFFFAOYSA-N 367.257 5.172 0 40 FKAB COc1ccc(C(C)=O)cc1Nc1cc(C)nc2cc(C(F)(F)F)ccc12 5520777 HGQPVMZRQDANJB-UHFFFAOYSA-N 374.362 5.517 0 40 FKAB Cc1ccc2c(c1)Oc1nc3ccccc3nc1N2Cc1cccc(F)c1 5798945 FCYFZWWLDXGSEJ-UHFFFAOYSA-N 357.388 5.521 0 40 FKAB C[C@H](Oc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 5862036 WJYFIACHOQNSRI-INIZCTEOSA-N 365.860 5.013 0 40 FKAB O=C(Nc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12 5936954 IYXPVFIRHUQSTJ-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 6629921 OKLBSUCWDVFWLX-UHFFFAOYSA-N 351.277 5.400 0 40 FKAB COc1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 6762573 UWBSJRANKHKYAO-UHFFFAOYSA-N 362.212 5.514 0 40 FKAB CCN(C(=O)Nc1ccc(OC)cc1)c1nc(-c2ccc(C)cc2)cs1 6826699 DCYSXQRAXZQYNC-UHFFFAOYSA-N 367.474 5.186 0 40 FKAB Cc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 7525168 OVPTUSJMAPFDOW-UHFFFAOYSA-N 351.877 5.517 0 40 FKAB CCCCN1C(=O)c2ccccc2[C@H]1NC1CCCCCCCCCCC1 9553770 QXYBYBITFIHHJH-QHCPKHFHSA-N 370.581 6.204 0 40 FKAB Cc1cccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)c1 15732372 QOHIWTUFMKWEJT-UHFFFAOYSA-N 352.397 5.255 0 40 FKAB c1ccc(COc2ccc3ccccc3c2CNC2CCCCCC2)cc1 16480615 GOTCDSZEEKOISH-UHFFFAOYSA-N 359.513 6.231 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)Cc3c(C)noc3C)cc2)c(C)c1 19598383 UCIVYPCUMMRATM-UHFFFAOYSA-N 366.486 5.241 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 19932866 CVFGZACZBTWODS-UHFFFAOYSA-N 358.441 5.315 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl 20482554 ADOJMHMOPJXUFM-ZDUSSCGKSA-N 358.652 5.443 0 40 FKAB CSc1ccccc1NC(=O)CCSCc1nc2ccccc2s1 32778830 YGAFDFSKQSYXRH-UHFFFAOYSA-N 374.556 5.280 0 40 FKAB CC(C)(C)c1cc(C(C)(C)C)c2[nH]c(C(C)(C)C)c(C[C@H](N)C(=O)O)c2c1 39414687 IQMAPACPGQFJNG-KRWDZBQOSA-N 372.553 5.015 0 40 FKAB c1ccc(CSc2nc3ccccc3nc2SCc2ccccc2)cc1 71405107 OQBVLYSCQHOGBW-UHFFFAOYSA-N 374.534 6.214 0 40 FKAB O=C(NCc1cccc(O)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 71820079 ZHZJNXCJSCLYAZ-UHFFFAOYSA-N 371.358 5.008 0 40 FKAB CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(C)cc1 222693465 UOVFLAFGHOVXBV-LJQANCHMSA-N 361.938 5.788 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1)c1ccc(C)cc1C 223001174 XYEYJGONRIAPCT-FCHUYYIVSA-N 353.506 5.345 0 40 FKAB CCc1ccc(CCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223350500 OYMSISDOXHHZIX-SFHVURJKSA-N 367.533 5.499 0 40 FKAB Cc1cccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225393681 XCXLHYKDVDEIIU-UHFFFAOYSA-N 368.546 5.236 0 40 FKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225820003 WSFUGIVMIGHRDG-NHCUHLMSSA-N 369.505 5.045 0 40 FKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408801020 SEKCUVCOFOSYHG-UHFFFAOYSA-N 371.913 5.535 0 40 FKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccccc1OCC 954335 MHWYNARWYMGRMI-UHFFFAOYSA-N 370.836 5.207 0 40 FKAB COc1cc(NCCCCCCC[C@H]2CCCCN2)c2ncccc2c1 1640923 HFSDPLBOZQMDFJ-IBGZPJMESA-N 355.526 5.138 0 40 FKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccccc4)ccc23)cc1 2226716 CNXLERFPRNCJOF-UHFFFAOYSA-N 372.420 5.356 0 40 FKAB biogenic Fc1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 2695669 XDVXBKRWYUTBNJ-UHFFFAOYSA-N 366.439 5.968 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCCCCC1 2755657 NOPKWIDVFVREOY-UHFFFAOYSA-N 372.512 6.053 0 40 FKAB Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 3047484 RGVZJXCMZGALPY-UHFFFAOYSA-N 370.521 6.355 0 40 FKAB CC(C)CC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1 3328229 ZPBBJBFTIURJCC-UHFFFAOYSA-N 351.475 5.538 0 40 FKAB Cc1ccc(NC(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc1Cl 3359886 QTVIXUGCOAROTH-UHFFFAOYSA-N 358.913 5.016 0 40 FKAB O=C(OCc1cccc(C(F)(F)F)c1)C1(c2cccc(F)c2)CCCC1 3367949 OWQRWMZWDTZIJE-UHFFFAOYSA-N 366.354 5.400 0 40 FKAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 3881696 OKMHWOWJDRPCCT-PZCAJWILSA-N 356.506 5.165 0 40 FKAB biogenic CCOc1cc(CNCc2ccco2)ccc1OCc1ccccc1Cl 4942812 MZESSUVGQFEMEV-UHFFFAOYSA-N 371.864 5.201 0 40 FKAB Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c(C)c1 5737564 VCFDQNUCJDHNHB-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB C(=C1\CCCC[C@H]2C1=NN(c1ccccc1)[C@H]2c1ccco1)\c1ccco1 5947342 DBTDHOIKTFMTBK-QCWADUCCSA-N 358.441 6.064 0 40 FKAB S=c1[nH]c(Cc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 6193825 QTRURUXVTANJHX-UHFFFAOYSA-N 372.537 6.155 0 40 FKAB CCc1ccccc1-n1c(CC23CC4CC(CC(C4)C2)C3)n[nH]c1=S 6243735 MVFXASZECJLJGC-UHFFFAOYSA-N 353.535 5.251 0 40 FKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCC1 6329663 KZBVXTIROQSCBZ-UHFFFAOYSA-N 355.290 5.636 0 40 FKAB CCc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 6547491 JNIAWAQYEHFJCO-UHFFFAOYSA-N 374.267 5.674 0 40 FKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccccc2Cl)S1 8277658 SRGDVFULZKJOQW-OQLLNIDSSA-N 363.269 5.193 0 40 FKAB Clc1ccc(OCc2ccccc2Cl)c(CNCc2cccnc2)c1 8435789 VXGDMZRGWVOGKV-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3nnc(-c4ccccc4)o3)sc2c1 9062141 GKZVABNPZDTCQW-UHFFFAOYSA-N 369.833 5.165 0 40 FKAB CC[C@@H]1C[C@@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1/C(C)=N\O 12412594 GIIPSNRPRUJDDZ-IUIWVMKNSA-N 372.553 5.882 0 40 FKAB CC(C)c1ccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)nc2)cc1 12562844 BIFXKEZCCBNFII-UHFFFAOYSA-N 373.500 6.324 0 40 FKAB CC(C)(C)c1cc(CCC(=O)N2C3CCC2CC3)cc(C(C)(C)C)c1O 12973669 FBFMGZWOGGGZCW-UHFFFAOYSA-N 357.538 5.073 0 40 FKAB Cc1sc2c(c1C)CN(C1CCCCC1)CN2C(=O)c1ccccc1 20193355 OIAYRGVQVIEBFT-UHFFFAOYSA-N 354.519 5.118 0 40 FKAB CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1Cl 20482631 YWJVBBFDLJGQLL-UHFFFAOYSA-N 372.635 5.076 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312086 DLQGYPSYSWXGMC-KRWDZBQOSA-N 351.368 5.118 0 40 FKAB O=C(Cc1csc(-c2ccco2)n1)N(Cc1ccccc1)c1ccccc1 22963216 KTWPNROXXQGBHI-UHFFFAOYSA-N 374.465 5.179 0 40 FKAB COc1ccc(Nc2c(-c3cccs3)nc3ccc(C)cn23)cc1OC 35616561 RXSHSJLPMBRRKK-UHFFFAOYSA-N 365.458 5.132 0 40 FKAB Cc1ccc(F)c(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 36718424 YBBUBFJOHFMHSD-UHFFFAOYSA-N 370.449 5.284 0 40 FKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 40945051 MZJYPKLWJQZGOL-KRWDZBQOSA-N 353.506 5.733 0 40 FKAB CC(=O)Oc1ccccc1/C=C/c1cc(Cl)ccc1Br 65733946 HLFSLKCOGBEHAK-VOTSOKGWSA-N 351.627 5.198 0 40 FKAB in-vitro CC(C)(C)Sc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72217357 CKMGOHAJLXCRDH-GOSISDBHSA-N 370.518 5.446 0 40 FKAB CC1=Nc2c(cnn2-c2ccccc2)[C@@H](c2ccc(O)c(Cl)c2)S1 95476355 MVDYOPWQYJBIGQ-QGZVFWFLSA-N 355.850 5.117 0 40 FKAB C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc2c(c1)CCCC2 222907088 QTNHRIASMFMKPW-ZDSQJECRSA-N 371.480 5.576 0 40 FKAB CC(C)Oc1cccc(CCCNC(=O)C2(c3ccccc3)CCCC2)c1 224956791 QLHSLDWYVLNSFS-UHFFFAOYSA-N 365.517 5.035 0 40 FKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)C(C)C 225760869 POAHDOKXUZOCGA-KRWDZBQOSA-N 350.890 5.471 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225821165 XBRVQXQDYJNMDX-QHCPKHFHSA-N 371.521 5.654 0 40 FKAB CC/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253617483 PCFLWNUQAQQXOU-BSULDKDISA-N 358.566 6.297 0 40 FKAB Fc1cccc(Cc2ccc(C3CCN(C[C@@H]4CC=CCC4)CC3)nc2)c1 257292828 QNCMKOPQBNHFCM-LJQANCHMSA-N 364.508 5.347 0 40 FKAB Cc1cccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 409119018 QJQTYVLDTGHFDI-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CC(C)C 649246 HKBIIVBRCOLJGH-UHFFFAOYSA-N 359.491 5.310 0 40 FKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 683084 BROGWVFHJOMCRA-LLVKDONJSA-N 357.759 5.073 0 40 FKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C)(C)C 709087 AETWSZLOPRFRHJ-UHFFFAOYSA-N 365.882 5.230 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccccc1OC 948603 ZQSUHOJXBBRVMA-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Clc1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)c(Cl)c1 2266674 SFMGRMHXIFBAED-UHFFFAOYSA-N 372.299 5.984 0 40 FKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1 2723037 PXPZZDDGNZNQME-UHFFFAOYSA-N 373.481 5.065 0 40 FKAB Cc1ccc(C(C)C)c(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 3092227 MQTAFTPTDSSFIH-UHFFFAOYSA-N 353.506 5.225 0 40 FKAB CC(C)COc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 4550003 BDEFHGNOQTUCSU-UHFFFAOYSA-N 371.786 5.646 0 40 FKAB Cc1ccc(/C=C/c2nn(-c3ccccc3)c3c(=O)ccccc23)c(C)c1 4667343 MPUCQDYMEREZBF-CCEZHUSRSA-N 352.437 5.173 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 6415413 PJFHYCMYSZTKOV-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c(C)c1 6501524 SYGCACXDOPRGIY-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(Nc1ccccc1OC(F)F)c1ccccc1Oc1ccccc1 6786018 GXHSCSQDWGCYHG-UHFFFAOYSA-N 355.340 5.333 0 40 FKAB COc1ccc(NC(=O)c2c(-c3ccccc3)oc3ccc(OC)cc23)cc1 11866411 TWRDXWHFOMQNPL-UHFFFAOYSA-N 373.408 5.369 0 40 FKAB biogenic Clc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(Cl)c1 12523849 YBAHOOGEMCUKBJ-IBGZPJMESA-N 366.251 5.983 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1 12653662 RUOLWGJVKGOPSA-HNNXBMFYSA-N 364.514 5.788 0 40 FKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC(F)F 12732733 GLXZBUUENXICQM-SNVBAGLBSA-N 357.809 5.061 0 40 FKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N=C(C)C3=C(O)C2)cc1OC 18222717 FZOPDJSDXHQRNW-OAHLLOKOSA-N 362.429 5.272 0 40 FKAB O=C(CSc1cccc2ccccc12)Nc1c(Cl)cccc1Cl 32695747 WDZCNVZKDGQDJM-UHFFFAOYSA-N 362.281 5.877 0 40 FKAB CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1C 39968753 FBMZNTANRAHSQX-QGZVFWFLSA-N 350.890 5.534 0 40 FKAB COCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1 40146388 JCKUNKQVOCKZDS-UHFFFAOYSA-N 370.499 5.001 0 40 FKAB COc1ccc(-c2nc3c(Cl)cccc3s2)cc1Br 45920887 IDKBEEMUJPMKIO-UHFFFAOYSA-N 354.656 5.388 0 40 FKAB CCC[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 58113825 WSRHXLHLASHNPY-SFHVURJKSA-N 373.500 5.339 0 40 FKAB C[C@]12CC3CC(C(=O)Nc4ccc(Cl)cc4Cl)(C1)C[C@](C)(C3)C2 101042938 WUWGSZZXGHBSPV-PCJZUQFSSA-N 352.305 5.929 0 40 FKAB Cc1cc2c(cc1C)N[C@@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 102880385 HFKRUVNDSLALST-QFIPXVFZSA-N 362.473 5.880 0 40 FKAB C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 106013708 NDHOPVCXDQDCPC-MNVNNWCQSA-N 357.497 5.072 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219321901 NTOPGRRFRHCTRQ-OALUTQOASA-N 359.897 5.382 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 222865300 AKMIJCQGDQKUCM-KRWDZBQOSA-N 355.437 5.077 0 40 FKAB CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222979657 FMETUTJHATVOOM-MRXNPFEDSA-N 353.531 5.557 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 223684197 PCOBCIKMBGGPEC-DENIHFKCSA-N 367.533 5.789 0 40 FKAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccc2ccccc2c1 224290478 UBORRGJUXAPJII-UHFFFAOYSA-N 374.375 5.205 0 40 FKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 224572466 WLHAWQIZWKDRQY-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224624075 YSUSJPJERCWEPF-HXUWFJFHSA-N 365.860 5.388 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224942402 IKZUPPFHJIZKKD-HSZRJFAPSA-N 365.517 5.704 0 40 FKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1C 225378826 WXCFLSDQCKVHGM-IBGZPJMESA-N 364.316 5.810 0 40 FKAB O=C(CCc1ccccc1F)Nc1ccc(CSc2ccccc2)cc1 225661562 CPWZSKZSMBWQJK-UHFFFAOYSA-N 365.473 5.689 0 40 FKAB CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C 225776774 JSWWGYJDAUYKIY-HSZRJFAPSA-N 359.469 5.222 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 248332402 IRMKYIKRTDTRSN-MENMYXSPSA-N 361.485 5.387 0 40 FKAB CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 256109116 KRYOQEAJTHSPKQ-ROXDYWFKSA-N 366.718 9.668 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 408706175 WQZGEGSVRAVWNV-UHFFFAOYSA-N 372.679 5.122 0 40 FKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 409095499 IBGOJIUNLCJCOD-UHFFFAOYSA-N 371.937 5.471 0 40 FKAB O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1Cc1ccc(Cl)cc1 409228941 HLSHLPSHWFEVFC-KPKJPENVSA-N 370.282 5.291 0 40 FKAB CCOc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 995639 DOHVABKMNVLNOQ-OAQYLSRUSA-N 363.482 5.557 0 40 FKAB COc1ccccc1C1=COc2cc(OCc3ccc(C)cc3)ccc2[C@H]1O 1322198 XXSCFIHQVZYJOK-XMMPIXPASA-N 374.436 5.050 0 40 FKAB biogenic CCN(CC)C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1670735 FOPPHWOMVMHHTN-XMMPIXPASA-N 359.513 5.048 0 40 FKAB CSc1ncc(Br)c(Nc2ccc(Cl)c(Cl)c2)n1 1679409 WETOVCDWESMINS-UHFFFAOYSA-N 365.083 5.011 0 40 FKAB COc1cc2c(cc1OC)C([C@@H](C)c1ccc(CC(C)C)cc1)=NCC2 1822706 BZTQWDPAEGAWRE-INIZCTEOSA-N 351.490 5.051 0 40 FKAB biogenic CC(=O)c1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1 1892212 PFQQAMNCAVOJKP-NJNXFGOHSA-N 373.839 6.188 0 40 FKAB CCCCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 1917313 PEGYGKUPERYVSG-UHFFFAOYSA-N 353.491 5.090 0 40 FKAB FC(F)Sc1nc(-c2ccc(Br)cc2)nc2ccccc12 2646153 PCEOZNNDMYHUHC-UHFFFAOYSA-N 367.218 5.374 0 40 FKAB O=C(c1ccc(Cl)cc1)c1ccc(OCc2cccc3ccccc23)cc1 2659121 WGRAWJNPKAQDFT-UHFFFAOYSA-N 372.851 6.303 0 40 FKAB CCN(c1ccccc1)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 3342742 GBMUCIHLQPIRBL-QHCPKHFHSA-N 358.485 5.510 0 40 FKAB Clc1ccccc1-c1ccc(-c2nn3c(-c4ccco4)nnc3s2)o1 3651220 MOJIIMCSZNUDLU-UHFFFAOYSA-N 368.805 5.026 0 40 FKAB CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 3850060 OLFAUBNLGRKABZ-TVSPITPHSA-N 360.538 5.037 0 40 FKAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NC1CCCC1 4085216 KIIWRGZHIQVJTJ-JLHYYAGUSA-N 373.855 5.130 0 40 FKAB O=C(c1ccccc1)c1oc(-c2ccccc2)c(Cl)c1-c1ccccc1 4602171 GBFSNSDWECFHLX-UHFFFAOYSA-N 358.824 6.498 0 40 FKAB COc1ccccc1-c1n[nH]c(SCc2ccc(C(C)(C)C)cc2)n1 4751441 ZTMIPZFETNZGRE-UHFFFAOYSA-N 353.491 5.070 0 40 FKAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 5256440 CBUIVSWWNFSEHG-JOCHJYFZSA-N 359.473 5.050 0 40 FKAB O=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 5603092 HFYRCOXROKMXKQ-FOCLMDBBSA-N 361.872 5.582 0 40 FKAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 6236091 BSQFZNUZTQKJOP-LBPRGKRZSA-N 366.288 5.524 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2C)cc1OCC 6309165 KICXSFUNIJRKCI-HNNXBMFYSA-N 367.445 5.030 0 40 FKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(Cl)c1 6480392 RYFZELVHBYNNLG-UHFFFAOYSA-N 357.649 5.509 0 40 FKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)c3ccc[nH]3)nc2c1 6589452 KSNGLNTVTAHDGV-UHFFFAOYSA-N 374.465 5.214 0 40 FKAB Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F 7847902 WNBADSXMERNBCR-UHFFFAOYSA-N 365.810 6.809 0 40 FKAB C[C@H]1CN(c2nc3ccccc3cc2-c2ccc(Cl)cc2)C[C@@H](C)O1 12857843 YMPXXDXDSQETEC-GASCZTMLSA-N 352.865 5.169 0 40 FKAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)c1cccc(Cl)c1 12980053 IQSRKPOUGULPAK-VIFPVBQESA-N 357.620 5.075 0 40 FKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 14664130 RSDMLGKEGHTVAW-UHFFFAOYSA-N 361.441 5.305 0 40 FKAB Cc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1 15345866 XJLCPJSAKSXYQM-UHFFFAOYSA-N 366.848 5.491 0 40 FKAB CCCCN(CCCC)C(=O)c1sc2nc(-c3ccccc3)cn2c1C 16740398 RVTVXQQGGBXJCF-UHFFFAOYSA-N 369.534 5.414 0 40 FKAB Clc1ccccc1CN1CN=C(c2ccccc2)N(c2ccccc2)C1 19960602 GJQLOORHCHIDJW-UHFFFAOYSA-N 361.876 5.024 0 40 FKAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 20485769 CYXVKEGMONEHGT-UHFFFAOYSA-N 359.853 5.067 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Cl 20485865 YQHHWGRSBCUFPD-YLJYHZDGSA-N 373.924 5.628 0 40 FKAB Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1 24383819 LHTAAZJPWYMVES-GOSISDBHSA-N 350.487 5.281 0 40 FKAB C[C@H](Nc1ccc(Oc2ccccc2Cl)cc1)c1nc(C(C)(C)C)no1 26994288 NGIUQWHTVXUSBJ-ZDUSSCGKSA-N 371.868 5.986 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc(C)c1Cl 40913200 CNBBYVKSKSLAPD-HNNXBMFYSA-N 361.869 5.150 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 44786858 HOFUWJRUACBRQR-LJQANCHMSA-N 370.924 5.116 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCCC[C@H]1c1ccncc1 58261165 FHCLARSFELDXKJ-QHCPKHFHSA-N 373.500 5.153 0 40 FKAB CC[C@H](c1ccccc1)c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194280 ABERMHFZSYRECS-OAHLLOKOSA-N 374.469 5.449 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(F)(F)F 223011757 JSBRDOIVVAUPLC-INIZCTEOSA-N 371.786 5.463 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223248889 JNSOWRYUZLWMTL-ROUUACIJSA-N 365.517 5.252 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Sc2ccccc2)c2ccccc2O1 223507653 RUDAEZOSETTYSK-QFBILLFUSA-N 369.530 5.366 0 40 FKAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)cc1 224458083 YSKKSMGRSQIJJK-FMIVXFBMSA-N 361.407 5.333 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225324440 WHFKOFOPJOMIET-UHFFFAOYSA-N 358.652 5.227 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1Cl 225535982 BNLYISLYZKXWOI-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB Fc1ccc(C2(CNC(=S)Nc3ccccc3Cl)CCCC2)cc1 225809812 BEEVQDVYYRRZIE-UHFFFAOYSA-N 362.901 5.278 0 40 FKAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@@H](C)C1 225809971 VDFWQDLNRKXSTQ-OPAMFIHVSA-N 355.478 5.161 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2)cc1OCC 408566164 DUEOMFFNBSJTIP-GXDHUFHOSA-N 353.462 5.088 0 40 FKAB Cc1ccccc1NCc1c(OCc2ccccc2F)ccc2ccccc12 409121059 VRWRXCSQFFBNRL-UHFFFAOYSA-N 371.455 6.478 0 40 FKAB C[n+]1c(/C=C2\C=C(c3ccccc3)OC3=C2CCCC3)sc2ccccc21 685944257 HITDGIBRVLAGQT-FBMGVBCBSA-N 372.513 6.009 0 40 FKAB CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 1772492497 ZBPQBCXWLUSWGS-LODXKARKSA-N 360.538 5.310 0 40 FKAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc2ccccc12 702212 WHQVBBPIXDOCGU-UHFFFAOYSA-N 372.424 5.317 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(C)c1 1865574 FEQKKDDKHGXYOD-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB COc1cc2c(cc1NC(=O)Cc1c[nH]c3ccccc13)oc1ccccc12 2630634 LJVJWFUDHORNIE-UHFFFAOYSA-N 370.408 5.257 0 40 FKAB O=C(Nc1ccc(Cl)cc1F)C1(c2ccc(Cl)cc2)CCCC1 3235388 YGGGXOATGNUDON-UHFFFAOYSA-N 352.236 5.583 0 40 FKAB Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 3280873 IWBBFPBBYIJLHZ-UHFFFAOYSA-N 361.470 5.187 0 40 FKAB O=C(NC1CCCC1)c1ccccc1OCc1ccc(Cl)cc1Cl 3326628 MYVYRCBYTFNPNG-UHFFFAOYSA-N 364.272 5.245 0 40 FKAB CCCCOc1ccc([C@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 4348633 BTBXXZMSOPRQCC-RPWUZVMVSA-N 367.533 5.169 0 40 FKAB c1ccc(C2=NN(c3ccccc3)[C@@]3(Nc4ccccc4S3)S2)cc1 4499166 VJNVEAFWPSYUCY-HXUWFJFHSA-N 361.495 5.431 0 40 FKAB CC(C)c1ccc(OCc2cccc(C(=O)NC3CCCCCC3)c2)cc1 4614385 KISVVROITMXPFK-UHFFFAOYSA-N 365.517 5.842 0 40 FKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@@H]2c1ccco1 5487306 RMDCBTWLCKAMDK-HXUWFJFHSA-N 353.425 5.565 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 7511500 SXJVKSQEUBJROG-UHFFFAOYSA-N 360.693 5.768 0 40 FKAB CC(C)(C)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1 9087985 ALKUMULVWZOVCW-UHFFFAOYSA-N 353.469 6.338 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)Nc2ccccc2)[C@@H]1c1ccccc1 9667380 RFJKIRGCZZAQNI-NRFANRHFSA-N 368.440 5.428 0 40 FKAB Clc1cccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1 13284555 LKTWSYTXPODFFM-UHFFFAOYSA-N 365.263 6.718 0 40 FKAB Cc1cc2oc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c(C)c2cc1C 15833220 YCGGAGCGPARHIB-JTQLQIEISA-N 354.475 5.192 0 40 FKAB CCCCOc1cccc(C(=O)Nc2ccc(OCC)c3ncccc23)c1 15840843 NVGIYNYBCFMNEI-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 20104998 RQNUKOMSDPPWSQ-MRXNPFEDSA-N 370.301 5.511 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1c(Cl)cccc1Cl 20481952 BBBHKNIGRMQAFO-OAHLLOKOSA-N 352.261 5.406 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)cc1C 20672087 ARYNRFQQRJPJLM-UHFFFAOYSA-N 359.473 5.388 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 21311984 LWOIAGFCYHLCBM-CQSZACIVSA-N 365.395 5.543 0 40 FKAB CN(Cc1cccc(Cl)c1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 23489910 WUHRDBLVFUQIRR-UHFFFAOYSA-N 352.305 5.168 0 40 FKAB Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1 24383822 LHTAAZJPWYMVES-SFHVURJKSA-N 350.487 5.281 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30751913 FVEXLUARTLEFAG-BEFAXECRSA-N 373.924 5.672 0 40 FKAB CCCCc1ccc2nc(NC(=O)COc3cc(C)cc(C)c3)sc2c1 32119137 KJAMBSTXWRHJQB-UHFFFAOYSA-N 368.502 5.273 0 40 FKAB Cc1ccc([C@@H](NC(=O)COc2cc(C)cc(C)c2C)c2ccccc2)cc1 38754935 ODTYOOIEWQQTIK-VWLOTQADSA-N 373.496 5.205 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(C)c1 44847022 XJZCRSFFUDZYTC-QHCPKHFHSA-N 361.485 5.055 0 40 FKAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1c[nH]c2ccccc12 96115398 RSPPOKOFEZVSEI-LJQANCHMSA-N 363.848 5.110 0 40 FKAB biogenic ClC1(Cl)[C@@H]2[C@H](c3ccccc3)c3ccccc3O[C@]21c1ccccc1 100929118 OHYNJWCJIONDAU-NJDAHSKKSA-N 367.275 5.910 0 40 FKAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1 219130946 YGKLBRSCZKVUQU-RUZDIDTESA-N 371.524 6.093 0 40 FKAB COc1ccc(Cl)cc1NC(=O)CCCSc1ccc(Cl)cc1 222684038 WFEIPNFUAXOVLV-UHFFFAOYSA-N 370.301 5.513 0 40 FKAB Cc1ccccc1[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 223133518 RJFHRFJSDAOJRA-XMMPIXPASA-N 369.508 5.713 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225508906 YTNMAXIVHFBFKI-UHFFFAOYSA-N 351.490 5.624 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225518814 KTWCXLYIAQWSAZ-MRXNPFEDSA-N 355.453 5.454 0 40 FKAB CC(C)COc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12 225943915 PCHQSYDGKUMSFK-UHFFFAOYSA-N 361.485 5.791 0 40 FKAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc4ccccc4c3)oc12 226269519 DZRNMADLEAMICB-UHFFFAOYSA-N 370.330 5.457 0 40 FKAB CCc1ccc2oc(C3=CCN(Cc4ccc(F)cc4Cl)CC3)nc2c1 226307825 OYNKRLVLEVTCSA-UHFFFAOYSA-N 370.855 5.472 0 40 FKAB CCc1ccc2oc(-c3ccc(OC)cc3)cc(=Nc3ccc(O)cc3)c2c1 254749492 SSMOTAROQUNPMO-UHFFFAOYSA-N 371.436 5.609 0 40 FKAB Cc1ccccc1CSCC(=O)NC(c1ccccc1)c1ccccc1 408564003 BYJOTSLVPZTFGT-UHFFFAOYSA-N 361.510 5.134 0 40 FKAB COc1ccc2oc(C(=O)Nc3cnccc3Oc3ccccc3)c(C)c2c1 523319065 IKGAQJYDXFOFJD-UHFFFAOYSA-N 374.396 5.189 0 40 FKAB O=C(c1ccccc1)[C@H](Sc1cccc2cccnc12)c1ccccc1 644998 WXWVWLKCEREGRF-HSZRJFAPSA-N 355.462 5.951 0 40 FKAB COc1ccc(Cl)cc1Nc1nc(C)nc2sc3c(c12)CCCC3 756828 FUJODSVHSZAOPL-UHFFFAOYSA-N 359.882 5.284 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(F)cc1 865361 ARWCSTKQPCMPRB-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB COc1ccccc1[C@@H](Nc1cccc(C)n1)c1c(C)[nH]c2ccccc12 1281092 JSDTZFUVHPRMHN-HSZRJFAPSA-N 357.457 5.390 0 40 FKAB COc1ccc([C@H](C)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 1295474 LYEDNWOKJZIYAU-YADARESESA-N 367.533 5.263 0 40 FKAB biogenic Clc1nncc(SCc2ccccc2)c1SCc1ccccc1 1693181 QDHXRHUGDGBXDW-UHFFFAOYSA-N 358.919 5.715 0 40 FKAB O=P(Nc1ccc2c(c1)OCO2)(Oc1ccccc1)Oc1ccccc1 1867138 FYKHWWRBZSOOEU-UHFFFAOYSA-N 369.313 5.093 0 40 FKAB CC(C)[C@H](CC(=O)NCC[C@@]1(C(C)C)CCOC(C)(C)C1)c1ccco1 2148348 NHZYBKGTVOGHHW-PGRDOPGGSA-N 363.542 5.147 0 40 FKAB biogenic Clc1ccccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 2225444 SDEKENXXSHSRTI-UHFFFAOYSA-N 356.816 5.289 0 40 FKAB Cc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3cc2oc1=O 2225519 PUTQADLPKURAHY-UHFFFAOYSA-N 369.214 5.586 0 40 FKAB Cc1ccc2c(c1)c1c3n2CCN(C(=S)Nc2ccccc2)[C@@H]3CCC1 2250775 UDOLHNJOUCFEJV-HXUWFJFHSA-N 361.514 5.040 0 40 FKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccccc1F 2704844 MWHVMCSRNNESLB-UHFFFAOYSA-N 359.356 5.055 0 40 FKAB O[C@@H](COc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 3121240 KWYGSMXZCLPZGI-HXUWFJFHSA-N 367.448 5.388 0 40 FKAB CSc1nc2ccc(NC(=O)Cc3coc4cc(C)ccc34)cc2s1 3306331 CANVBBYNCJKZAX-UHFFFAOYSA-N 368.483 5.254 0 40 FKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)CC(C)(C)CC3=O)cc1 3324396 ZVYFJAQTAWKTRO-UHFFFAOYSA-N 361.510 5.916 0 40 FKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(C(C)C)cc3)N=C(O)CCN21 4000159 IJKOSMWGYHBYIX-OSVJCPFSSA-N 374.528 5.986 0 40 FKAB biogenic CCCCCOc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 4275357 LPJVJKYMWUQQKV-UHFFFAOYSA-N 368.502 5.734 0 40 FKAB Clc1ccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCO4)n2c1 4735113 RMARHYJKYXXDTB-UHFFFAOYSA-N 369.833 5.189 0 40 FKAB COc1ccccc1-c1cnoc1-c1ccc(OCc2ccccc2)cc1O 5450989 RBQYKBXQFHGRMV-UHFFFAOYSA-N 373.408 5.302 0 40 FKAB biogenic Oc1cc(OCc2ccccc2F)ccc1-c1ncncc1-c1ccccc1 5557449 ZCFPSOGTJWIAIF-UHFFFAOYSA-N 372.399 5.234 0 40 FKAB biogenic CCCc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 6623189 PMJICHDFYOLOFG-UHFFFAOYSA-N 359.535 5.687 0 40 FKAB Cc1cccc(C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)c1 6809636 NPMCWARBKUEVME-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB C[C@@H]1CCc2c(sc3nc(-c4ccccc4F)cc(-c4ccco4)c23)C1 7148298 MSUWYFCUACPUBX-CYBMUJFWSA-N 363.457 6.487 0 40 FKAB COc1ccc(C)cc1[C@H](C)Nc1nc(-c2ccncc2)nc2ccccc12 12808155 WPWMACWYLFEDIQ-INIZCTEOSA-N 370.456 5.182 0 40 FKAB c1ccc(Oc2cccc(CNCc3ccccc3Cn3cccn3)c2)cc1 12980759 QPSAPBNERFUETL-UHFFFAOYSA-N 369.468 5.014 0 40 FKAB CCCCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 14258353 QREICRGZNCWMSC-UHFFFAOYSA-N 352.261 5.597 0 40 FKAB Fc1cccc2c1ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12 21017485 PWGKORFMUALDPC-UHFFFAOYSA-N 373.818 6.033 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 21311968 QDISLZOKLMKUCF-ZDUSSCGKSA-N 351.368 5.235 0 40 FKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(Cl)ccc1Cl 22237499 SZMRCJUSUIXGAD-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB COc1ccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 27792850 SHBXYXLCVPBCTK-UHFFFAOYSA-N 374.484 5.235 0 40 FKAB Clc1ccc(-c2nc(CSc3nc4ccccc4s3)no2)cc1 29296210 NIHQAECLGPGQLD-UHFFFAOYSA-N 359.863 5.292 0 40 FKAB Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)c2ccccc2)cc1 36293499 BQVVTRJNONOVJU-UHFFFAOYSA-N 362.498 5.340 0 40 FKAB COc1ccc(N(Cc2ccccc2)c2cc(Cl)nc3ccccc23)cc1 40448074 WPLDXXPDPROLIX-UHFFFAOYSA-N 374.871 6.235 0 40 FKAB Cc1ccccc1C(=O)O[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1 57222614 YIFAYJNANLGLDI-NRFANRHFSA-N 373.496 5.243 0 40 FKAB Cc1cccc(NC(=O)[C@@H](C)SC(c2ccccc2)c2ccccc2)c1 58018091 OVTAJPKYNCSKHD-GOSISDBHSA-N 361.510 5.845 0 40 FKAB CCn1c(S[C@@H]2CCCc3ccccc32)nnc1-c1ccccc1OC 58196872 RUODGQBEBDWNNU-LJQANCHMSA-N 365.502 5.143 0 40 FKAB O=C(CCSCc1ccccn1)Nc1ccccc1Oc1ccccc1 59361531 NVEHFDOBEZCZCI-UHFFFAOYSA-N 364.470 5.136 0 40 FKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC 71404823 RCJMCGHUQPLZNR-JDPCYWKWSA-N 370.577 7.418 0 40 FKAB C[C@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 72045030 DEUPWGNAKTXWQR-HBIYDYFMSA-N 366.461 5.182 0 40 FKAB CC(=O)Nc1ccc(NCc2c(OC(F)F)ccc3ccccc23)cc1 75825922 FWXUNCLEXVHJPQ-UHFFFAOYSA-N 356.372 5.012 0 40 FKAB CCOc1ccccc1NC(=O)NCc1ccccc1-c1ccsc1 96122950 HCRKTFHRNQDTJW-UHFFFAOYSA-N 352.459 5.136 0 40 FKAB COc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101220297 SJGFGKKZTYWLGZ-RBBKRZOGSA-N 355.441 5.191 0 40 FKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926518 YRMMDRYFJOUBOL-TUTYLCCDSA-N 360.582 5.335 0 40 FKAB C[C@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216841080 UIFJBXWTFLRWMI-GASCZTMLSA-N 354.881 5.911 0 40 FKAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 218960715 SKZGYSHUJJCZCE-QGZVFWFLSA-N 353.506 5.364 0 40 FKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1-c1ccccc1 222911008 SPHAWZUVIUSIOR-GOSISDBHSA-N 371.480 5.638 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222963914 YWQUVJGTSKCPCF-NQIIRXRSSA-N 367.533 5.636 0 40 FKAB C[C@H](NC(=O)c1cc2cc3ccccc3nc2s1)c1ccc(F)cc1 223135280 FUNOFCZAUOLYOY-LBPRGKRZSA-N 350.418 5.080 0 40 FKAB COc1ccc(C(=O)NC2CCCCC2)cc1CSc1ccc(C)cc1 224333612 YQAWDPBDZKGLTJ-UHFFFAOYSA-N 369.530 5.358 0 40 FKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224364396 PEVPAJLBOVGOJD-QGZVFWFLSA-N 351.490 5.314 0 40 FKAB CCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957822 UKUJSJSNGHKXAY-UHFFFAOYSA-N 354.837 5.192 0 40 FKAB COc1ccc(CCCc2nnc(SCc3ccccc3Cl)o2)cc1 409014568 NATNFIDRRUIVGB-UHFFFAOYSA-N 374.893 5.199 0 40 FKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 409096007 FDXSTDKNKYLBOF-UHFFFAOYSA-N 373.909 5.489 0 40 FKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Br)c1OC 409111015 ZZHDVSMJXVUMLW-UHFFFAOYSA-N 364.283 5.085 0 40 FKAB C[C@H]1C[C@H]1c1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)o1 585091580 JREMBPQYEKFAAR-KIJIUPMESA-N 367.470 5.300 0 40 FKAB COc1ccc(N[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 1776111119 LGJLUTXKXUGMLI-FQEVSTJZSA-N 351.833 5.385 0 40 FKAB Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCCC3 691585 DCODCUKSELBRBC-UHFFFAOYSA-N 365.502 5.098 0 40 FKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc2ccccc12 1263166 HYVVVPRTSNUGMR-HNNXBMFYSA-N 362.498 5.480 0 40 FKAB Cc1ccccc1NC(=O)Oc1ccc(Cl)cc1C(=O)c1ccccc1 1590812 GMVMDKKFDKWKNC-UHFFFAOYSA-N 365.816 5.490 0 40 FKAB Cc1cc(C)c(C)c(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 1754103 QKAFGGXDNRJONY-UHFFFAOYSA-N 357.759 5.895 0 40 FKAB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)cc1 2066902 OXZKFCMFLVPUSD-SANMLTNESA-N 369.508 6.130 0 40 FKAB CCn1c(SCc2ccc(C)c(C)c2)nc2sc(C)c(C)c2c1=O 2388488 IZEGHIPKUQJMIY-UHFFFAOYSA-N 358.532 5.004 0 40 FKAB Cc1ccc(CNc2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)cc1 2645420 WKCRQIQOILBMFG-UHFFFAOYSA-N 368.505 6.302 0 40 FKAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1c(F)cccc1F 2713965 KQHGIMVBSGMOSC-UHFFFAOYSA-N 359.184 5.134 0 40 FKAB COc1cccc(N(C(=O)c2cccs2)c2nc3ccccc3s2)c1 3241577 OBKNWEPTTGZTBB-UHFFFAOYSA-N 366.467 5.345 0 40 FKAB Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 3371647 WBCUCIBFJPLPMS-OAHLLOKOSA-N 351.475 5.016 0 40 FKAB O=C(c1ccco1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 3655968 HJJUOJJCOGDIMZ-UHFFFAOYSA-N 365.816 5.198 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2ncsc2c1 4032386 KGMAXOCUXZDNLC-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB Brc1cc(Br)c2nc3c(cc2c1)CCCCCC3 4051021 KJUAGBXOOGUUDW-UHFFFAOYSA-N 369.100 5.419 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC 4177150 DWXMFYHXRGZGCD-UHFFFAOYSA-N 354.233 5.043 0 40 FKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c(C)c1 4540023 WZESQKZWIZUCGI-JOCHJYFZSA-N 371.436 5.010 0 40 FKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5413906 ZVEANVKCIFCMGP-GFCCVEGCSA-N 352.261 5.523 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 6212268 RDNSRKZEHCWHAQ-UHFFFAOYSA-N 356.897 5.490 0 40 FKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)sc1Cl 6496245 IQAPFVCGXVXVPX-UHFFFAOYSA-N 355.271 5.431 0 40 FKAB Clc1ccc(C2=Nc3ccccc3S[C@H](c3ccco3)C2)cc1Cl 6576147 VFGPIUNLHCSLBX-IBGZPJMESA-N 374.292 6.944 0 40 FKAB CC(C)CCN(CCC(C)C)c1ncnc2sc3c(c12)CCCCC3 6906689 ZQOQGHINNCEOAN-UHFFFAOYSA-N 359.583 5.859 0 40 FKAB CCCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 7261612 BHZBIWIUKQSKBR-UHFFFAOYSA-N 353.893 5.962 0 40 FKAB Cc1ccc(CSc2nnc(NC(=O)c3cc(C)ccc3C)s2)cc1 7723291 VINFTDADULFJJL-UHFFFAOYSA-N 369.515 5.008 0 40 FKAB Cc1ccc(-c2csc3ncnc(SCc4cc(C)on4)c23)cc1 7931564 RQHGZBXWPGVWFB-UHFFFAOYSA-N 353.472 5.255 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 8499107 NPMZEBVKTGEMPI-HNNXBMFYSA-N 358.652 5.443 0 40 FKAB FC(F)(F)c1cc(-c2cccnc2)nc2c(-c3ccc(Cl)cc3)cnn12 9925825 QUHSPZUENQDTTB-UHFFFAOYSA-N 374.753 5.131 0 40 FKAB Cc1ccc(CCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 10110408 DFILXVZGBOPKJB-LYBHJNIJSA-N 355.481 5.285 0 40 FKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)cc1 10215074 OEEUMMUJRBYRAO-WIYYLYMNSA-N 364.832 5.484 0 40 FKAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 11260527 YYQKZLBBZNVTTH-UHFFFAOYSA-N 372.390 5.207 0 40 FKAB CCOc1ccc(-c2nc3n(c2-c2ccccc2)Cc2ccccc2-3)cc1 13803648 SGPRBPNXVNKHJW-UHFFFAOYSA-N 352.437 5.645 0 40 FKAB CCc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 16740472 NBCQTCJSJDQDHY-UHFFFAOYSA-N 353.425 5.112 0 40 FKAB O[C@H](COc1ccccc1-c1nc2ccccc2s1)c1ccccc1F 32810198 FIJBDYYIQMYSEO-GOSISDBHSA-N 365.429 5.215 0 40 FKAB CCN(CC)c1nc(/C=C\c2ccccc2Cl)nc2ccc(OC)cc12 33824727 BGYUONPMCOIZSI-RAXLEYEMSA-N 367.880 5.308 0 40 FKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2nc3ccc(C)cc3s2)cc1 35671964 MZWIYQFKOUHUNV-UHFFFAOYSA-N 363.442 5.129 0 40 FKAB O=C(Nc1ccccc1)c1ccc(CSc2nncc3ccccc23)cc1 44156968 ZQPFODCUMBXADB-UHFFFAOYSA-N 371.465 5.174 0 40 FKAB Cc1oc(C2CCN([C@H](C)c3ccc(F)cc3)CC2)nc1-c1ccccc1 72304925 DESFETUWJFVYKZ-MRXNPFEDSA-N 364.464 5.730 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCc2cc(F)ccc21 84625296 XVVNKTMZAFNOKV-FQEVSTJZSA-N 354.469 5.882 0 40 FKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2[C@@H]1c1cccs1 100689355 FGTOGVSRWGKPNV-IBGZPJMESA-N 356.454 5.063 0 40 FKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 216334392 BTECYTYGTJHLLR-MRXNPFEDSA-N 351.368 5.118 0 40 FKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)c(C)c1 219299493 BOEIUUUWTFMDIV-GHTZIAJQSA-N 353.506 5.462 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 222896131 MKHQWAWQYNFBSY-FCHUYYIVSA-N 353.506 5.310 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223473519 KFDCANCNGLQSGH-UZLBHIALSA-N 359.897 5.300 0 40 FKAB Cc1ccc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1C 225110439 SOUQZHXUNPCVTD-JOCHJYFZSA-N 362.425 5.170 0 40 FKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1C 225789887 SAOZLRCENGDQPB-HNNXBMFYSA-N 362.926 5.019 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c2ccccc12 225830254 XCQUXYWHASOHOQ-UHFFFAOYSA-N 355.478 5.307 0 40 FKAB CCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408989795 MCTSUHBCZVYSNO-UHFFFAOYSA-N 368.502 5.512 0 40 FKAB O=C(CSc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1 1392125 WXUZKAKATDRGNV-UHFFFAOYSA-N 360.891 5.194 0 40 FKAB Cc1ccc(Cn2ncc3c(Nc4ccc(C(C)C)cc4)ncnc32)cc1 1473032 HAOXYMLIDHKBAV-UHFFFAOYSA-N 357.461 5.050 0 40 FKAB CCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O 1481024 OERYXSKNRYFTLQ-UHFFFAOYSA-N 356.425 5.515 0 40 FKAB O=C1O[C@@](c2ccccc2)(c2cccc3ccccc23)C[C@@H]1c1ccccc1 1587887 PNJGNAASVBVSPS-BVAGGSTKSA-N 364.444 5.814 0 40 FKAB CCN(CC)c1ccc(N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 1666865 OEDDKYYTZPXGJB-BJKOFHAPSA-N 360.501 5.420 0 40 FKAB O=c1oc2ccc(Cl)cc2c(-c2ccccc2)c1-c1cccc(Cl)c1 2581734 IKBAGJPDMNSXHO-UHFFFAOYSA-N 367.231 6.434 0 40 FKAB biogenic COc1ccc(Nc2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)cc1 2646345 GGOJNFTVHHAKQX-UHFFFAOYSA-N 370.477 6.134 0 40 FKAB c1ccc(-c2csc3ncnc(N[C@H]4CCCc5ccccc54)c23)cc1 3365331 JPRMSNCDZKNHHA-IBGZPJMESA-N 357.482 5.848 0 40 FKAB O=C(c1ccc(F)cc1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 4318353 LWLNKFVUOFWRQO-SJBKTWHCSA-N 371.883 5.581 0 40 FKAB C[C@H]1C[C@]2(c3ccccc3)[C@H](c3ccccc3)C(=O)N2c2ccccc2S1 4659030 GCODYFLTABRQQV-YJGRUCBDSA-N 371.505 5.597 0 40 FKAB CC[C@@]1(C)Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5529317 CGPCWSZRLBYPDI-FXAWDEMLSA-N 356.853 5.018 0 40 FKAB Cc1occc1-c1nnc(S[C@H](C)c2ccccc2)n1-c1ccccc1 5883086 BTDXVLXSOHZMJP-MRXNPFEDSA-N 361.470 5.689 0 40 FKAB COc1ccccc1/C=C1\C[C@H](C)Cc2c1nc1ccccc1c2C(=O)O 6468435 LVMJFZSQONUCBN-BXWAGETQSA-N 359.425 5.065 0 40 FKAB CCCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 12419886 DFHWBTWCVMBOMR-SFHVURJKSA-N 361.489 5.055 0 40 FKAB CC(=O)c1ccccc1[C@@H](C)c1ccc(Br)c2ccccc12 16952847 HSPMSMQEQJDROB-CYBMUJFWSA-N 353.259 5.957 0 40 FKAB CC[C@H](C)Nc1ccc(NC(=S)Nc2ccc(N[C@H](C)CC)cc2)cc1 17023490 JISDNEYCWNQCOJ-IYBDPMFKSA-N 370.566 5.916 0 40 FKAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 18024351 MUZUZXBNNZQLPH-JZAZDWQXSA-N 358.696 5.135 0 40 FKAB Cc1ccccc1-c1ncc(CNC2(c3ccccc3F)CCCC2)cn1 19237564 RGPRNSFJQBHZGD-UHFFFAOYSA-N 361.464 5.150 0 40 FKAB CC(C)Oc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 20108578 ATJGHRNCODDFKV-UHFFFAOYSA-N 353.506 5.020 0 40 FKAB O=C(Nc1nnc(C2CCCCC2)s1)Nc1ccccc1C(F)(F)F 27924941 PTPHMQHLSUASMB-UHFFFAOYSA-N 370.400 5.249 0 40 FKAB CC1(C)C[C@@H](NCC[C@](C)(Cc2ccccc2)Cc2cccs2)CCO1 32069955 TYKICFSRGFZJSE-NZQKXSOJSA-N 371.590 5.477 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1OCc1ccccc1 44843754 VZJGIIJSXMCTEP-UHFFFAOYSA-N 365.860 5.191 0 40 FKAB CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C)cc1 44900939 KGJVHNMKOVAMRV-GOSISDBHSA-N 365.901 5.288 0 40 FKAB CC(=O)c1c(C)cc(C)c(CNc2cccc(-c3ccnc(C)n3)c2)c1C 48300708 IONWKFCPQYLPKR-UHFFFAOYSA-N 359.473 5.192 0 40 FKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72214558 FLDZYMYCWPJIKH-GOSISDBHSA-N 361.530 5.024 0 40 FKAB Cc1oc2ccc(OCc3c(Cl)cccc3Cl)cc2c1[C@H](C)NO 72434045 QHXFTASKJJVXOW-JTQLQIEISA-N 366.244 5.667 0 40 FKAB Clc1ccc2nc(-c3cccc(I)c3)sc2c1 73638925 CKTHEMWMXSEJND-UHFFFAOYSA-N 371.630 5.221 0 40 FKAB O=C(CCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 109710979 YEPIQPLAMPVHSR-UHFFFAOYSA-N 357.169 5.283 0 40 FKAB c1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 136667674 KONVULMFIGMCMR-UHFFFAOYSA-N 354.478 6.103 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 222972140 QMWGNOOWWSHKSM-RTWAWAEBSA-N 353.506 5.345 0 40 FKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C 223397229 CHKABGRRIXKJPN-CVEARBPZSA-N 361.938 5.623 0 40 FKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 224961905 IYTJFPYGLWEJRJ-SFHVURJKSA-N 374.484 5.236 0 40 FKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224969490 MAGXGQCZOSHQKT-HXUWFJFHSA-N 372.896 5.126 0 40 FKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 225883457 JVXHIUPBLIRGFH-OAQYLSRUSA-N 353.506 5.401 0 40 FKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccc(N)c1C 226303465 KYWPFIMEVVAHAA-UHFFFAOYSA-N 374.528 5.606 0 40 FKAB CCCC(CCC)C(=O)Nc1ccccc1OC(=O)C(CCC)CCC 670420604 XMCIXIFDHSJBGY-UHFFFAOYSA-N 361.526 5.963 0 40 FKAB Cc1ccc(C(=O)Oc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc1 958694 NMYUXNOBTSFARY-UHFFFAOYSA-N 370.404 5.296 0 40 FKAB COc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc1 2407346 RUADVFLFSJPNHO-UHFFFAOYSA-N 358.445 5.160 0 40 FKAB Cc1ccc(N[C@@H](c2ccc(O)cc2)P2(=O)OCC(C)(C)CO2)cc1 3110447 POQMTFJTSNEBAR-GOSISDBHSA-N 361.378 5.077 0 40 FKAB Cc1ccccc1Nc1c(-c2c(F)cccc2Cl)nc2cccc(C)n12 3911625 CXYOFRHTGSQHGG-UHFFFAOYSA-N 365.839 6.154 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 4034033 XQDHFYGUKWOXLW-UHFFFAOYSA-N 371.440 5.269 0 40 FKAB O=C(Nc1cccc(CCc2ccncc2)c1)c1csc2c1CCCC2 4708838 DOAMYOKQSRHGGY-UHFFFAOYSA-N 362.498 5.059 0 40 FKAB CC[C@@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5557253 HCWZKEIINMVGPC-CQSZACIVSA-N 353.535 5.893 0 40 FKAB C[C@@H](CCc1ccc(OC(=O)c2ccccc2)cc1)OC(=O)c1ccccc1 5762823 NCAAUHIYNZZUAB-SFHVURJKSA-N 374.436 5.084 0 40 FKAB O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1 5899685 OWZCXPBKICEPSD-UHFFFAOYSA-N 374.484 5.094 0 40 FKAB O=C(O)C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 6252531 IBWQADLJYPNBNY-RGEXLXHISA-N 371.461 5.979 0 40 FKAB CC(C)COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1 6327014 MUHOBSKMQMOGHT-XQNSMLJCSA-N 369.464 5.940 0 40 FKAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 6587313 CIYHPEWTPLAZKP-VIAIDJOKSA-N 373.540 5.617 0 40 FKAB CCc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)cc1 6870928 GAJDKTFQJOSZJS-UHFFFAOYSA-N 366.530 5.048 0 40 FKAB O=C(CSCc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl 7094127 AQNKHMMVIWFHGV-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB Cc1ccc(C)c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8188510 JOFRNECEFRTORO-HNNXBMFYSA-N 370.543 5.225 0 40 FKAB Cc1cc(NC(=O)[C@@H](SCc2cccc(Cl)c2)c2ccccc2)no1 10275576 KXHHPSOPLMMMEJ-SFHVURJKSA-N 372.877 5.250 0 40 FKAB Cc1cccc(Cc2cnc(NC(=O)c3oc4ccccc4c3C)s2)c1 12080515 OGNLXPKHWYORQT-UHFFFAOYSA-N 362.454 5.349 0 40 FKAB C[C@H]1CCc2c(sc3nc(-c4ccc(F)cc4)cc(-c4ccco4)c23)C1 12633509 LGKROXDJGPWGEX-ZDUSSCGKSA-N 363.457 6.487 0 40 FKAB C=Cc1ccc(CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 16842584 KEZOVHNHLDPSFV-UHFFFAOYSA-N 373.481 5.340 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)cc1 17041043 KSKUZZLPYBMMMF-UHFFFAOYSA-N 369.420 5.533 0 40 FKAB biogenic CC(C)Oc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 20111048 OOQNDWAPTQOLRQ-UHFFFAOYSA-N 373.496 5.312 0 40 FKAB Cc1cc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Cl 22508943 VYUVVSSQVQMOBY-LJQANCHMSA-N 359.897 5.239 0 40 FKAB CCCCc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 22511217 IMZZBRBVXSPQDY-IBGZPJMESA-N 364.533 5.513 0 40 FKAB Cc1cc2oc(C(=O)Nc3cccc4ccccc34)cc(=O)c2cc1Cl 27756086 PHECAUCCXNSZGP-UHFFFAOYSA-N 363.800 5.160 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)C[C@@H](C)O3)cc1 30836276 PGHAVLRCECLPSD-MWTRTKDXSA-N 370.452 5.090 0 40 FKAB CCc1ccc(C(=O)C[C@H](Nc2ccccc2)c2ccc(OC)cc2)cc1 32117624 JIYLUHOFIPDKKQ-QHCPKHFHSA-N 359.469 5.684 0 40 FKAB CC(C)c1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 32553806 LUIPILTUBQFRDB-FMIVXFBMSA-N 374.484 5.371 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2c(c1)OCO2 40096312 JJCIDYHQJXRSFU-UHFFFAOYSA-N 368.477 5.026 0 40 FKAB O=C1N[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Nc2ccccc21 70037632 LUFIGBSJRBGVNL-KRWDZBQOSA-N 374.387 5.288 0 40 FKAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccccc1Cl 96117486 TVHCPEGXRRWVEA-INIZCTEOSA-N 359.256 5.282 0 40 FKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCC 106971836 VUNBFIIUVLTVQC-UHFFFAOYSA-N 374.695 6.056 0 40 FKAB Cc1cccn2cc(-c3ccccc3NC(=O)/C=C/c3ccc(F)cc3)nc12 206900736 HKLOTKCTTACHIB-JLHYYAGUSA-N 371.415 5.101 0 40 FKAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 216477871 VAHMTZAKGSMZTL-UHFFFAOYSA-N 367.445 5.490 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 222997415 ZISGOUPFEWDPCU-YADHBBJMSA-N 353.506 5.364 0 40 FKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccc2)on1 224063842 NOVPXDLCEJPSQR-UHFFFAOYSA-N 356.381 5.386 0 40 FKAB CC(C)Sc1nnc(NC(=O)c2cc3c(ccc4ccccc43)o2)s1 225261684 RCIRTLWUVGYHIV-UHFFFAOYSA-N 369.471 5.190 0 40 FKAB CO[C@]1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCC[C@H](C)C1 225637949 BPOAYYVNUOGDBK-GAJHUEQPSA-N 367.489 5.108 0 40 FKAB Cc1cc(C)c(C(=O)NCCSCc2c(F)cccc2Cl)cc1C 225642311 WOUXEFQFICZPNV-UHFFFAOYSA-N 365.901 5.068 0 40 FKAB CCCn1c(SCCc2ccccc2)nnc1-c1ccc(Cl)cc1 409102895 WMHYMQYTNRYZFN-UHFFFAOYSA-N 357.910 5.343 0 40 FKAB Clc1ccccc1NCc1ccc(OCc2ccccc2)c(Cl)c1 409181935 GSEZEFZBKBHHPK-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 809273 LYFDGPNLUUKNLW-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB C[C@@H]1C[C@@H](Nc2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 855421 KBDDQGYSDPGCQE-IIBYNOLFSA-N 360.432 5.418 0 40 FKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(Cl)c1 949056 NFWZMXYKGHQRCK-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB Cc1cc(C)cc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c1 1015322 NXNYJRGLJXXUIN-YUCXICBCSA-N 352.305 5.098 0 40 FKAB Cc1cccc2cc(CN(C(=O)C3CCC3)C3CCCCC3)c(Cl)nc12 1364898 FGCRJZFANUTYOF-UHFFFAOYSA-N 370.924 5.658 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)OC(=O)Nc1ccccc1 1394793 LCFSVQZEOYTHCW-CYBMUJFWSA-N 372.877 6.082 0 40 FKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1Cl 1413971 XVXUGKRJNRBDSK-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB C[C@H](c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)N1CCCC1 1710683 JYLXDTRVBITDJY-OAHLLOKOSA-N 351.881 5.789 0 40 FKAB CCCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 2175363 GZBRHIHYJLXKGG-MIZVFFBBSA-N 356.878 5.354 0 40 FKAB Cc1cccc(-c2nnc3sc(CSc4cc(C)ccc4C)nn23)c1 2183283 UDSMBJJZOYMEIL-UHFFFAOYSA-N 366.515 5.070 0 40 FKAB Cc1cccc(-c2nn(-c3cccc(F)c3)c(-c3cccc(C)c3)c2C)c1 2733588 XULUVCNJLMLULO-UHFFFAOYSA-N 356.444 6.271 0 40 FKAB COc1ccc(C2(c3ccc(OC)c(Cl)c3)CCCCC2)cc1Cl 3076052 CCTYNNWFYQJEDE-UHFFFAOYSA-N 365.300 6.261 0 40 FKAB c1ccc(OCP(COc2ccccc2)COc2ccccc2)cc1 3099508 VIMQNIIFSFKGDT-UHFFFAOYSA-N 352.370 5.578 0 40 FKAB O=C(Nc1ccccc1)C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1 3196258 JRYUJCXXGYTQNU-CZIZESTLSA-N 358.485 5.243 0 40 FKAB S=C(Nc1ccccc1)C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1 3205363 IASZJTAVGOCARV-CZIZESTLSA-N 374.553 6.043 0 40 FKAB Cc1ccc(SCc2nc3ccc(Cl)cn3c2Br)cc1 4032111 GXFODXAENUFMKZ-UHFFFAOYSA-N 367.699 5.351 0 40 FKAB FC(F)(F)c1cccc(Oc2nnc(-c3ccccc3)c3ccccc23)c1 4105943 VAKBICSGFMGSBO-UHFFFAOYSA-N 366.342 6.108 0 40 FKAB O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1Cc1ccc(Cl)cc1 4110162 RTCYGBDFNBHVLG-MRXNPFEDSA-N 371.811 5.133 0 40 FKAB Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2cnn3C)c(C)c1 4272729 DMJQKKLUDIYWJU-UHFFFAOYSA-N 372.476 5.084 0 40 FKAB O=C1S/C(=C/c2cccn2-c2ccccc2)C(=O)N1CC1CCCCC1 4675818 VIWFTBQARYMHBZ-XMHGGMMESA-N 366.486 5.094 0 40 FKAB CCN(CC)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 5321879 OIXYTPRRJUHDAQ-UHFFFAOYSA-N 371.695 5.745 0 40 FKAB CCc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 6124629 VGASOPWKXGCCNW-UHFFFAOYSA-N 356.878 5.207 0 40 FKAB S=C(c1ccc(OCc2ccccc2Cl)c(Cl)c1)N1CCCC1 6227068 VPGWDIVEDUNPOW-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB CC(C)C(=O)c1cn(CCCOc2ccccc2Cl)c2ccccc12 6306642 JVMUBEGOHIEPMC-UHFFFAOYSA-N 355.865 5.603 0 40 FKAB Cc1cc(C)cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 6386112 NVRAXXOKVQZXQO-UHFFFAOYSA-N 354.302 5.482 0 40 FKAB O=C(Nc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1OC(F)F 6509985 SOWADAJFGJLTIJ-UHFFFAOYSA-N 368.113 5.125 0 40 FKAB Cc1ccc(Sc2ncccc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 6834188 DMGBTJBBXKUQQA-HNNXBMFYSA-N 366.461 5.171 0 40 FKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)cc1 12923302 MCUSGQNBHRLSBH-UHFFFAOYSA-N 372.877 5.245 0 40 FKAB CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN12 13895419 CYEPQGVXLXBRKU-NOZRDPDXSA-N 368.480 5.879 0 40 FKAB Nc1cc(Br)ccc1Oc1ccccc1Cc1ccccc1 14630974 PWOAACAFTPUGTN-UHFFFAOYSA-N 354.247 5.414 0 40 FKAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccccc3)o2)c(Cl)c1 14774331 DFSRGXWVGBOWBK-UHFFFAOYSA-N 354.837 5.183 0 40 FKAB Cc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c(C)c1 17025970 PVAQDHGKTPPYQC-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB CC[C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H](CC)c1ccc2c(c1)C[C@H](C)O2 17303461 LHXPONQGAROOEF-WWLNLUSPSA-N 350.502 6.021 0 40 FKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2cccs2)cc1Cl 20395266 UTAIDBHSHVCUAH-UHFFFAOYSA-N 369.873 5.388 0 40 FKAB Brc1ccc2nc(-c3ccccn3)cc(-c3ccccc3)c2c1 32616743 KPAMTPDUBJWDJY-UHFFFAOYSA-N 361.242 5.726 0 40 FKAB Cc1c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)sc2nc(C(F)(F)F)ccc12 32809496 CWUNPYPYURQVFQ-JQWIXIFHSA-N 370.440 5.274 0 40 FKAB Clc1ccc(CNc2ccc(Br)c(Cl)c2)c(Cl)c1 59720553 AAGYOGCCLHKIOI-UHFFFAOYSA-N 365.485 6.021 0 40 FKAB O=C(NC1CCCCC1)c1cccc(-c2nc3ccc(F)cc3s2)c1 59843073 LONQYBYMGAOHLD-UHFFFAOYSA-N 354.450 5.165 0 40 FKAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212167 HUKVHZBVXSXJLX-GOSISDBHSA-N 354.450 5.336 0 40 FKAB CC1=CC(C)(C)N(C(=O)c2ccc(-c3ccccc3)cc2)c2ccc(O)cc21 95115707 NEHDVURPGVLYND-UHFFFAOYSA-N 369.464 5.902 0 40 FKAB S=c1nc(-c2ccccc2)o/c(=N\C2CCCCC2)n1C1CCCCC1 104215312 QRHQIOYWEQJXOH-XDOYNYLZSA-N 369.534 5.611 0 40 FKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCc2sccc2[C@@H]1c1ccccc1 104804752 IRVYYJQZXYIVKJ-FCQWJQKHSA-N 351.515 5.049 0 40 FKAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc(Cl)cc1F 222637351 GSHIXYLQVIMCKQ-GOSISDBHSA-N 373.855 5.436 0 40 FKAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222749489 FIAXPSRRJPZDRR-UHFFFAOYSA-N 355.890 5.292 0 40 FKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(Cl)ccc2Cl)cc1 222873984 OQTFVRMAYIKMJH-QGZVFWFLSA-N 352.261 5.352 0 40 FKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc2c(c1)CCCC2 223083490 RTCRRZONQMJLKX-QHCPKHFHSA-N 365.517 5.335 0 40 FKAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224172845 DOIJCKRHDPBFIT-UHFFFAOYSA-N 369.505 5.054 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)c1 225259081 IHKNWPKCOIHWPC-UHFFFAOYSA-N 355.441 5.407 0 40 FKAB CCCOC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496653 FXXKGZUZHDPGIN-UHFFFAOYSA-N 360.457 5.037 0 40 FKAB O=C(O)c1cccc(-c2cccc(C(F)(F)F)c2)c1OCc1ccccc1 257343744 ZUFWNUGFMHDGAI-UHFFFAOYSA-N 372.342 5.650 0 40 FKAB CC1(C)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C=C(Cl)Cl 711044 NMLDMJRWJYCYGL-CMPLNLGQSA-N 352.183 5.235 0 40 FKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2cccc3ccc(C)nc23)c(C)c1 784040 CJUMOVUDKDXADY-QGZVFWFLSA-N 364.514 5.588 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1 859807 REXDGKCQVGWYAN-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 860942 LVBAOLIZLDRMDA-UHFFFAOYSA-N 372.399 5.302 0 40 FKAB Cc1cc(Cn2cnc3ccccc32)c(C)cc1Cn1cnc2ccccc21 1437067 LHOKFDSSPCGZIY-UHFFFAOYSA-N 366.468 5.099 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(Br)c1 1462198 HFNMPEPMGZZIQK-FNORWQNLSA-N 371.061 5.408 0 40 FKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cccc(C)c3C)c1-2 1804463 KIQRLXFMLNXXIT-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB CC(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 2219019 JFHPYKVXMHEXLX-UHFFFAOYSA-N 356.444 6.673 0 40 FKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)C(C)(C)C)cc1 2721204 AKDZINYOFKGBHQ-UHFFFAOYSA-N 366.530 5.398 0 40 FKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 3043483 JINZSTIFDQNQOX-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCCc2ccccc21 3451511 MZCCGEZKQQUPOJ-UHFFFAOYSA-N 371.358 5.558 0 40 FKAB Brc1ccc(-c2ccc(-c3ccc4ccccc4n3)cc2)cc1 4051040 VDNUETIWAVTYEY-UHFFFAOYSA-N 360.254 6.331 0 40 FKAB CCCCCN(CCCCC)CCNc1cc(OC)cc2cccnc12 4522430 LWSYWDCAZURHPN-UHFFFAOYSA-N 357.542 5.338 0 40 FKAB CC(C)[C@H]1CC[C@H](C)c2cnn(Cn3ncc4c3[C@@H](C(C)C)CC[C@H]4C)c21 4671508 GSTLFXOMMNFYHO-FCGDIQPGSA-N 368.569 5.859 0 40 FKAB CC(C)(C)C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 4704956 SDMMGACJYVAWCC-UHFFFAOYSA-N 355.865 5.603 0 40 FKAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1Oc1ccccc1 5689613 NHHDEOMEOCYYHN-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB Cc1ccc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c(C)c1 7677491 NETBGESKGBCQBE-OAHLLOKOSA-N 370.543 5.225 0 40 FKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=S)c1ccccc1 9434786 VEEQKUBKHAMLHU-UWJYYQICSA-N 358.510 5.814 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(C(F)(F)F)cc1 12257308 IANMZHJWTSBRQZ-UHFFFAOYSA-N 361.319 5.026 0 40 FKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc2c(Cl)cccc12 14258249 DNHQHDSNMLYXBZ-UHFFFAOYSA-N 350.632 6.052 0 40 FKAB Cc1ccc(-c2nnc(C3CCN(Cc4ccc(Cl)cc4)CC3)o2)s1 19217838 JGCRDZNRHKXHGV-UHFFFAOYSA-N 373.909 5.140 0 40 FKAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 20491894 DIXQBPSAEXOWBW-UHFFFAOYSA-N 351.833 5.622 0 40 FKAB CCCc1ccc(OCc2ccc(C(=O)N([C@@H](C)CC)[C@H](C)CC)o2)cc1 36611221 PDBDTXDDABIHFJ-HDICACEKSA-N 371.521 5.850 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 36611850 HYANSMFAVDMLSI-AWEZNQCLSA-N 364.514 5.028 0 40 FKAB Cn1c(CNC(c2ccccc2)c2ccccc2)nc2cc(Cl)ccc21 43272794 VTDYDUOXCWEXBY-UHFFFAOYSA-N 361.876 5.106 0 40 FKAB CC(C)(C)c1cc([C@H]2NN=C(c3ccccc3)S2)cc(C(C)(C)C)c1O 59408993 WZHWBBOHQHXTDE-FQEVSTJZSA-N 368.546 5.684 0 40 FKAB O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)c1ccccc1F 84500215 GOWICGZWLJLFSX-UHFFFAOYSA-N 363.763 5.386 0 40 FKAB O=C(Nc1ccc(F)cc1C(F)(F)F)C(c1ccccc1)c1ccccc1 98073278 CGUXEZQWTCEWFI-UHFFFAOYSA-N 373.349 5.615 0 40 FKAB CCCCCCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccccc1 101328848 ASKHUOXVGXCBDK-GHVJWSGMSA-N 366.530 6.038 0 40 FKAB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC 101652084 UCLGIKKXOIONJU-RABNCREUSA-N 351.534 5.656 0 40 FKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(F)cc3)ccc21 164783865 UGPGBILRECBMPT-UHFFFAOYSA-N 363.461 5.762 0 40 FKAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 218967410 MZOXUWFADQTWRQ-SFHVURJKSA-N 353.506 5.166 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc2ccccc12 222865237 AKMIJCQGDQKUCM-QGZVFWFLSA-N 355.437 5.077 0 40 FKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc(C(F)(F)F)c1 222934267 NNOWHZJRTFENIF-FNORWQNLSA-N 374.189 5.342 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 222968226 PPPOGYJWUWWUSS-LEWJYISDSA-N 353.506 5.364 0 40 FKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222996679 AKXNMOPWBYZDGB-AVRDEDQJSA-N 365.517 5.217 0 40 FKAB CCc1ccc(CC)c(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 222996795 JEZIJCAOLUOGFG-XIEYBQDHSA-N 369.508 5.668 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C 225361617 GSZKUUFDPFEYNI-CQSZACIVSA-N 350.289 5.420 0 40 FKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C 225660047 OKZYIGWMYXOCRW-UHFFFAOYSA-N 361.526 5.632 0 40 FKAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1C 225714849 QQQNRDZWDCSSAQ-KRWDZBQOSA-N 362.926 5.403 0 40 FKAB CCc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 226308578 AVDSHFFCMDQGRG-UHFFFAOYSA-N 367.831 5.186 0 40 FKAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1[C@@H](C)CCC[C@H]1C 226330334 MTMVFYNXDLGWKK-GASCZTMLSA-N 371.912 5.250 0 40 FKAB Cc1ccc(-c2c3c(nc4c2[C@@H](O)c2ccccc2-4)CC(C)(C)CC3=O)cc1 408990054 VBZGLCYYRWVNOM-DEOSSOPVSA-N 369.464 5.274 0 40 FKAB Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(Cl)cc3)C2)c(O)c1 1254308 OCLWVSHCVSTEPG-UHFFFAOYSA-N 360.844 5.999 0 40 FKAB Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nc3cc(C)c(C)cc32)cc1 1383362 IPHAFTBBGVGZFA-UHFFFAOYSA-N 361.876 5.725 0 40 FKAB Fc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 1388796 JNWNTLUGMSGLPF-UHFFFAOYSA-N 360.457 6.175 0 40 FKAB CCN(CC)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1666900 UMKRQXBBEFYXRM-HSZRJFAPSA-N 358.485 5.569 0 40 FKAB C=COC(=O)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1674583 WXSIDIDMEDMNQQ-UHFFFAOYSA-N 352.453 6.326 0 40 FKAB Cc1cc(OCCCC(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1787184 WITYBJQVHUOBFU-UHFFFAOYSA-N 352.261 5.408 0 40 FKAB C[C@@H](C(=O)OC/C=C/c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 2061790 YQDCBKOZTABFIV-VSRDTVRMSA-N 370.448 5.278 0 40 FKAB Cc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N\c3cccc(C)c3C)c2c1 2887272 LSUJHNNWSWODCE-XTCLZLMSSA-N 373.883 6.911 0 40 FKAB CC[C@@H](C)c1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 3439001 DGIARQVCCBXDJT-GOSISDBHSA-N 372.464 5.693 0 40 FKAB COC(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C 4105457 JQLRMKFLQSOEOF-UHFFFAOYSA-N 359.731 5.638 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1cc2sccc2n1Cc1ccccc1 4970951 AJGTYQUVUCNPHY-UHFFFAOYSA-N 366.873 5.657 0 40 FKAB O=C(c1cc(-c2cccc3ccccc23)nc2ccccc12)N1CCCC1 5171724 QIRBGYDVESSTDP-UHFFFAOYSA-N 352.437 5.291 0 40 FKAB CCn1c(S)nnc1-c1cc(-c2cc(C)ccc2C)nc2ccccc12 5432289 WJLOORLELDRJHW-UHFFFAOYSA-N 360.486 5.086 0 40 FKAB aggregator CCc1ccc(-c2cs/c(=N\c3ccccc3)n2[C@@H](C)COC)cc1 5559385 CKKNLRIVIFUCSB-XGNMISCSSA-N 352.503 5.219 0 40 FKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCc1ccccc1 6681141 RCDSXWLGYMBQCQ-XXBNENTESA-N 370.496 5.598 0 40 FKAB Cc1cc(C)cc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)c1 7593584 OYSFMWVOBPPDPU-UHFFFAOYSA-N 350.487 5.768 0 40 FKAB O=C(c1cc2ccccc2[nH]1)N1CCc2sccc2[C@H]1c1cccs1 7947875 WZOVVEIIKPREQH-IBGZPJMESA-N 364.495 5.079 0 40 FKAB CC(=O)c1cc(F)ccc1Oc1c(-c2ccccc2)c2ccccc2[nH]c1=O 8134348 UBQAGQOCTXYBPC-UHFFFAOYSA-N 373.383 5.329 0 40 FKAB CCc1cccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c1 8594417 CXXNLUJZWPNVAB-OAQYLSRUSA-N 373.431 5.640 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1(c2ccccc2)CCCC1 10372790 ZPOPUYLTVFKSRO-UHFFFAOYSA-N 355.437 6.037 0 40 FKAB CCc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 12997322 UXPWKXIUSQCVKS-LJQANCHMSA-N 353.512 5.160 0 40 FKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(Br)cc1 13786582 MNINEIABCBDNJP-UHFFFAOYSA-N 355.688 5.220 0 40 FKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Cl)c1 14257924 HZPWPQGZCRNROS-UHFFFAOYSA-N 362.816 5.078 0 40 FKAB Cc1ccc(OCCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 14396357 DWBPVQYKOSMDGQ-UHFFFAOYSA-N 361.441 5.585 0 40 FKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccsc1)CC(O)=N2 15106629 LQVPWVUQUIQJKX-AWEZNQCLSA-N 368.483 5.494 0 40 FKAB CCCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc12 15840895 UZGBRVNKHYTXPF-UHFFFAOYSA-N 362.473 5.573 0 40 FKAB Cc1ccc(Cn2c(-c3ccc(F)cc3)cs/c2=N\c2ccccc2)cc1 16733553 QWKJWUSUVXQVCV-BZZOAKBMSA-N 374.484 5.945 0 40 FKAB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=O)CC(C)(C)C2 16740290 BZCSNESPGXXCPV-UHFFFAOYSA-N 366.244 5.302 0 40 FKAB O=C(c1cccs1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19342708 HGJDPZNEVDYZIC-KRWDZBQOSA-N 370.449 5.300 0 40 FKAB Clc1ccccc1-c1nnc([C@H](Nc2ccccc2)c2ccccc2)o1 20509724 RTIIHKVTSZJJOY-LJQANCHMSA-N 361.832 5.592 0 40 FKAB O=C1CCCC[C@H]1Sc1ncnc2scc(-c3ccc(F)cc3)c12 21671992 KCVFUJRQNSMAQY-OAHLLOKOSA-N 358.463 5.101 0 40 FKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2ccccc2C3)cc1 23042839 UNVBBPJNWVJFBE-UHFFFAOYSA-N 353.490 6.413 0 40 FKAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 32838770 JNBXOBVSAAMOSA-IBGZPJMESA-N 359.469 5.227 0 40 FKAB CC(C)[C@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 48289719 DPZUAIWISVWJMH-FQEVSTJZSA-N 358.844 5.621 0 40 FKAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217608 FUCNIXMECDAXCJ-HXUWFJFHSA-N 360.482 5.210 0 40 FKAB O=C(Nc1cccc2cnccc12)N[C@H](c1ccc(Cl)cc1)C1CC1 84494056 ZMCCONJFSGPWMD-IBGZPJMESA-N 351.837 5.161 0 40 FKAB O=[S@](Cc1csc(-c2cccs2)n1)Cc1cccc2ccccc12 84598488 UWTDIUVKBZQWOI-XMMPIXPASA-N 369.536 5.474 0 40 FKAB CC[C@@H](C(=O)N(CCc1cccs1)Cc1ccoc1)c1ccccc1 90612317 SMXZZIVBQBBJPZ-HXUWFJFHSA-N 353.487 5.106 0 40 FKAB C/C(=C\c1ccccc1)c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194390 IXUAQRNFXSHISN-OUKQBFOZSA-N 372.453 5.468 0 40 FKAB Cc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100846458 ORCYAFOFQNFKSD-SCAKWATOSA-N 359.513 5.780 0 40 FKAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(Cl)cc2Cl)cc1 222875668 APBJUIHUPKZZCH-SFHVURJKSA-N 366.288 5.030 0 40 FKAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225054844 WIYSGAJEGIDAKB-UHFFFAOYSA-N 359.878 5.017 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl 225511766 ATEFBNCWMRPPHS-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225552939 ZKMUGOCQYVIJET-UHFFFAOYSA-N 371.908 5.968 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225658174 OBSHFQPZBLRPTH-KRWDZBQOSA-N 354.563 5.853 0 40 FKAB CCNc1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1 226284209 HFIQQZQCVSJUEA-UHFFFAOYSA-N 367.246 5.842 0 40 FKAB Cc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Cl 226343421 OFGDJQASUOLKHA-UHFFFAOYSA-N 356.050 5.608 0 40 FKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(C)c2C)cc1 408579903 LGNRYITXDHMNJP-UHFFFAOYSA-N 350.487 5.550 0 40 FKAB CCc1cccc2c(/C=C3\SC(=O)N(c4ccc(C)cc4)C3=O)c[nH]c12 409148060 XACSHZOOPKISBD-WQRHYEAKSA-N 362.454 5.280 0 40 FKAB Cc1ccc(NC(=O)OC2CCCCC2)cc1NC(=O)OC1CCCC1 831483 MGOYMQSDMIVZTH-UHFFFAOYSA-N 360.454 5.367 0 40 FKAB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 2573031 QHEFZMJWIHYYGN-NRFANRHFSA-N 352.886 6.446 0 40 FKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 3885039 SUQNGDIEEBYGGF-FMIVXFBMSA-N 370.235 5.727 0 40 FKAB C/C(=C\c1nsc(Nc2ccc(F)c(Cl)c2)n1)NCc1ccccc1 4575927 FJRIRMILFGAJFZ-FMIVXFBMSA-N 374.872 5.225 0 40 FKAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1ccc(Cl)cc1 4817424 IDMRNQJNHYZNKB-KONDSOJQSA-N 352.865 5.208 0 40 FKAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 4911550 SNNNEUMXTTXUBL-SFHVURJKSA-N 367.489 5.145 0 40 FKAB Cn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc2sccc21 4971174 PHPZWTIYXQQYEV-UHFFFAOYSA-N 358.772 5.164 0 40 FKAB COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccccc2Cl)cc1 5210672 NJYMDUYPGNTDHQ-UHFFFAOYSA-N 373.279 5.888 0 40 FKAB COc1ccc(-c2cn3c(N=O)c(-c4ccccc4)c4c3n2CCCC4)cc1 5576416 KHOQWBUQCSLFED-UHFFFAOYSA-N 371.440 5.818 0 40 FKAB FC(F)(F)c1cc(NC(=S)Nc2ccccc2)cc(C(F)(F)F)c1 5660550 ZUKDBBOPRWJXSK-UHFFFAOYSA-N 364.314 5.533 0 40 FKAB C/C(=C/c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 5931970 BRHPOMKOYBHVEM-RIXQQTFQSA-N 354.453 5.497 0 40 FKAB CCCn1c(NC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21 6153918 GSLQUJUFQOJVMO-UHFFFAOYSA-N 355.441 5.366 0 40 FKAB CC(=O)Nc1ccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 6265963 CQHCYFMGKJVMRX-QHCPKHFHSA-N 370.456 5.031 0 40 FKAB CCOc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 6963715 YILDHJKVHBGAEC-GJYPPUQNSA-N 369.848 5.263 0 40 FKAB CCCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 7261220 WZHSOAPWUICJGN-UHFFFAOYSA-N 351.465 5.838 0 40 FKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@H]2CCCC[C@H]21 7987576 IYFJSEBFOVBBRR-WZONZLPQSA-N 371.484 5.092 0 40 FKAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Cl)cc2)cc1 9871400 VSWSWENBZASLRE-IBGZPJMESA-N 358.869 5.498 0 40 FKAB Cc1cc(C)nc(S[C@@H](C)C(=O)n2c3ccccc3c3ccccc32)n1 10381945 BKXPGFCMXUEJCO-HNNXBMFYSA-N 361.470 5.022 0 40 FKAB Cc1cc(C)nc(S[C@H](C)C(=O)n2c3ccccc3c3ccccc32)n1 10381947 BKXPGFCMXUEJCO-OAHLLOKOSA-N 361.470 5.022 0 40 FKAB Cc1csc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1 10554596 RKGVNOQYWWRAOT-UHFFFAOYSA-N 363.417 5.058 0 40 FKAB C[C@@H](SCc1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 12591732 RKXAHEMBCODWQV-SNVBAGLBSA-N 374.720 5.907 0 40 FKAB CC(=O)c1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12807430 FWSZGLGCYKYHQM-NRFANRHFSA-N 361.466 5.361 0 40 FKAB CCc1ccccc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC 12818697 NQKYNJPEPGINHQ-UHFFFAOYSA-N 369.515 5.050 0 40 FKAB CCCCOc1ccc(NC(=O)c2ccccc2OCC)c2cccnc12 15841159 CTCYTLHZOHQIJJ-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB CC(C)(C)c1ccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc1 16974131 MKWQPRFLTNWHIM-UHFFFAOYSA-N 369.468 6.044 0 40 FKAB O[C@@](CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 20219106 KTCSCPRRKZKCIY-NRFANRHFSA-N 372.295 5.019 0 40 FKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(C(C)(C)C)nc32)cc1C 20395202 CVCUOLYWAIIQMD-UHFFFAOYSA-N 361.411 5.662 0 40 FKAB Cc1occc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 21759275 DAQBIEJTBHBULM-UHFFFAOYSA-N 357.356 5.033 0 40 FKAB Cc1ccc(CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)o1 23495882 IJXGVZGARRXACW-UHFFFAOYSA-N 363.335 5.139 0 40 FKAB CC(=O)Nc1cccc([C@H](C)OC(=O)CCSc2ccc(C)c(C)c2)c1 48331606 PPTQNSQSAMFGBU-INIZCTEOSA-N 371.502 5.048 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccc(OC)cc3C)ccc21 51355878 LLRKYPSBRHWINY-UHFFFAOYSA-N 373.456 5.775 0 40 FKAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1sccc1C1CC1 70036846 REYGCFUFZAYIDH-INIZCTEOSA-N 363.429 5.034 0 40 FKAB CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215696 VTFLRMYIGAHHSN-IBGZPJMESA-N 373.541 5.313 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1C(F)(F)F 96171187 ROZTXPCAOLMHNG-UHFFFAOYSA-N 353.771 5.490 0 40 FKAB Cc1cc2oc(=O)cc(COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)c2cc1C(C)C 108858455 YEFFADSCHKFGFX-ULQDDVLXSA-N 368.473 5.094 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(C(C)C)cc1 219373870 VBXVEOLTKOSNQD-QFIPXVFZSA-N 367.533 5.333 0 40 FKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224977185 DFSNAGDZGZKJOW-JOCHJYFZSA-N 366.505 5.090 0 40 FKAB Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225177160 ARXAKGMBNHJRFR-UHFFFAOYSA-N 371.284 5.159 0 40 FKAB S=C(Nc1ccc(Cl)cc1)NC1(c2ccccc2Cl)CCCC1 225845045 WNHGQZNNIUYXMG-UHFFFAOYSA-N 365.329 5.749 0 40 FKAB COc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1Cl 225853413 PBYFXOXRXJJKBX-UHFFFAOYSA-N 374.937 5.413 0 40 FKAB CC1(C)Oc2c(-c3ccccc3)cccc2[C@H]2O[C@@H](c3ccccc3)CC[C@@H]21 257309732 UCEBDJHEEABCLX-JBRSBNLGSA-N 370.492 6.734 0 40 FKAB Cc1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 408585696 HIWFKMFQMXJXLP-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408585855 JKAWQVDHGOFDSL-UHFFFAOYSA-N 357.759 5.400 0 40 FKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 409203247 XCBLWSIRVJSZFE-UHFFFAOYSA-N 359.803 5.809 0 40 FKAB Clc1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1Cl 409392363 PHFYLJVIYVEEIB-UHFFFAOYSA-N 359.281 6.315 0 40 FKAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 668629 RECVSQXXASZBDO-OAHLLOKOSA-N 364.876 5.570 0 40 FKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 753248 RMXMYGUOHMFUGV-UHFFFAOYSA-N 364.150 5.030 0 40 FKAB COc1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 984738 NURKBLZKRNZLHL-JOCHJYFZSA-N 361.466 5.759 0 40 FKAB CC(=O)C[C@H]1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc12 1722263 PSUHDCHDMUHPFQ-AJTFRIOCSA-N 364.488 6.666 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2c1 2073168 CXWCLNAVVRGXLA-UHFFFAOYSA-N 366.464 6.079 0 40 FKAB COc1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 2713359 KVNZCEDZONNODQ-UHFFFAOYSA-N 364.448 5.913 0 40 FKAB C[C@@H]1C[C@@H](N(C(=O)Cc2ccccc2)c2ccccc2)c2ccccc2N1 3213962 SUTOOAKGISNEJH-WZONZLPQSA-N 356.469 5.208 0 40 FKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)c1C 4070356 MOSCCHPBTYZGEQ-UHFFFAOYSA-N 371.893 5.344 0 40 FKAB CC[C@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 5083837 QZOCTJXBURESGE-SFHVURJKSA-N 361.470 5.195 0 40 FKAB COc1ccc([C@@H](CCNCc2ccc(Cl)cc2)CCC(C)C)cc1 5477886 MJWDNTRVQDVXSP-HXUWFJFHSA-N 359.941 6.048 0 40 FKAB FC(F)(F)Oc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 5935718 DPXIFBQFZRQRND-UHFFFAOYSA-N 364.367 5.103 0 40 FKAB CC(=O)c1ccc(N(C(=O)C2CCCC2)c2nc3ccccc3s2)cc1 7593665 CBQCDHNPRUWQNJ-UHFFFAOYSA-N 364.470 5.354 0 40 FKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 8498294 HEHHSORUHXKYRM-NSHDSACASA-N 372.679 5.670 0 40 FKAB CC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c1 11689983 ARTRKYABRREFJR-UHFFFAOYSA-N 367.832 5.374 0 40 FKAB Cc1ccc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc3c2CCCC3)cc1 13566372 VWSOAYQTKAJFTD-YQQQUEKLSA-N 365.542 5.486 0 40 FKAB Fc1ccc(COc2cccc(CNCCc3c[nH]c4ccccc34)c2)cc1 16525354 SVRDDOYJZACNGH-UHFFFAOYSA-N 374.459 5.218 0 40 FKAB COc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1OC 17076357 YHILBOAUARGBSE-UHFFFAOYSA-N 372.534 5.760 0 40 FKAB Cc1cccc(-n2nc(C)c3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1 20632893 COIFOHPGGVIEDU-INIZCTEOSA-N 350.849 5.055 0 40 FKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1Cc2ccccc2S1 21531348 VBUZTRGEFKQYAA-FQEVSTJZSA-N 372.449 5.150 0 40 FKAB Cc1cc(C)cc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 22257982 BURLAQVEZKQRLJ-UHFFFAOYSA-N 365.860 5.788 0 40 FKAB Cc1ccccc1CSc1nccn2nc(-c3cccc(Cl)c3)cc12 38651602 QRFIFSGPOKDZGQ-UHFFFAOYSA-N 365.889 5.650 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 38753803 CYVYBUQMJNFQHG-NSHDSACASA-N 372.292 5.243 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1OC 38754456 BKUDDTPTGNYWBO-OAHLLOKOSA-N 373.518 5.255 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3)c2c1 46086266 NEPRLVCBQODOCH-UHFFFAOYSA-N 357.837 5.826 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351818 TVGJMYBLXHIGEF-YADHBBJMSA-N 367.533 5.717 0 40 FKAB OC1=Nc2ccsc2[C@H](c2cccc(OCc3ccccn3)c2)SC1 71281406 UKNUWTKPXWTBFK-SFHVURJKSA-N 368.483 5.146 0 40 FKAB Cc1cc(NC(=S)Nc2cc(F)ccc2C)ccc1Br 71761605 WHKWHXKVAWOBPR-UHFFFAOYSA-N 353.260 5.014 0 40 FKAB C[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1cc(F)ccc1F 71818661 USZOYDIMROZFAJ-LBPRGKRZSA-N 372.392 5.175 0 40 FKAB CCN(c1ccc(C)cc1)c1ccc(C(=O)N2CCCC(C)(C)C2)cc1 78582403 KSFCSTWXGIWVME-UHFFFAOYSA-N 350.506 5.415 0 40 FKAB CCN(CC)c1ccc2cc(-c3nc4cc(C)c(C)cc4o3)c(=O)oc2c1 95933188 MMRQSPGNSYZEAX-UHFFFAOYSA-N 362.429 5.064 0 40 FKAB O=C(O)c1cc2cc(Br)ccc2nc1-c1cc2ccccc2o1 96026318 VBVCHBALXUHWMI-UHFFFAOYSA-N 368.186 5.109 0 40 FKAB CC(C)c1ccc(O[P@@](C)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 101957845 JGJPEDCOKWQYTF-JOCHJYFZSA-N 358.205 6.431 0 40 FKAB COc1ccc(C(=O)CCc2ccc(-c3cccc(Cl)c3)o2)cc1OC 199766838 UDOGSJIGXRHEGV-UHFFFAOYSA-N 370.832 5.433 0 40 FKAB Cc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(C)c1 216412974 VVTLFHCQIHASHF-UHFFFAOYSA-N 370.496 5.509 0 40 FKAB O=C(NC1CCCCCCC1)c1cccc(OCc2ccccc2Cl)c1 219840759 JVAOQNIBDQCCQP-UHFFFAOYSA-N 371.908 5.762 0 40 FKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C(C)C)cc3)N21 222642202 AHMJIWIHTRRBKG-DFQSSKMNSA-N 351.519 5.184 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)CSCc1ccc(Br)cc1 223453331 QSNQNNKLQOLSMG-UHFFFAOYSA-N 372.372 5.013 0 40 FKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225510826 YVGFUXYEBGSKGQ-LJQANCHMSA-N 365.517 5.931 0 40 FKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 225672657 BVCSWQDVUXPBOH-MRXNPFEDSA-N 360.910 5.237 0 40 FKAB CC(C)Oc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 225731532 IZECRWHXCZRHPI-UHFFFAOYSA-N 367.873 5.138 0 40 FKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c2ccccc12 225803429 GRMCSPGQMJUWIJ-HSZRJFAPSA-N 371.521 5.943 0 40 FKAB CCc1ccccc1NCc1ccc(-c2ccc(Br)cc2)o1 226240084 NPSDDBDKOREGKL-UHFFFAOYSA-N 356.263 5.884 0 40 FKAB CC(=O)c1ccc(Nc2nc3ccccc3c3c2ncn3CC(C)C)cc1 261829807 RXQASGZYQBMCPZ-UHFFFAOYSA-N 358.445 5.187 0 40 FKAB Cc1ccc(C)c2sc(NC(=O)c3cccc4c(Cl)cccc34)nc12 408620548 HGRCBSSNILKTKE-UHFFFAOYSA-N 366.873 5.972 0 40 FKAB COc1c(C(=O)Nc2ccc(F)cc2)cc2ccccc2c1Br 408621972 OBQVKCBCFRVSLW-UHFFFAOYSA-N 374.209 5.002 0 40 FKAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)c1 409000517 TVYUXCRLXHBGBK-BDTNDASRSA-N 355.437 5.164 0 40 FKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409015607 SQSPUGXIXMMFSE-YAFRSCOQSA-N 361.850 5.435 0 40 FKAB CC(C)c1cc(C(C)C)c(C(=O)C(F)(F)C(F)(F)F)c(C(C)C)c1 575242822 JWQGJEFLIGFVJK-UHFFFAOYSA-N 350.371 6.437 0 40 FKAB Cc1cccc(C)c1NC(=O)c1cc(-c2cccs2)nc2ccccc12 992719 ORWZMXYADWEVPV-UHFFFAOYSA-N 358.466 5.832 0 40 FKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccs1 1255593 WNWSCIOVLIFRBD-UHFFFAOYSA-N 354.397 5.010 0 40 FKAB CCCc1nc(N2CCCCC2)c2sc(=S)n(-c3ccccc3)c2n1 1444441 PPQTVOZHUPXBLF-UHFFFAOYSA-N 370.547 5.154 0 40 FKAB CCCSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 1901948 MDWYZWKQLVGHJT-UHFFFAOYSA-N 368.546 5.190 0 40 FKAB CC(C)(C)c1cc(NCCc2ccccc2)n2ncc(-c3ccccc3)c2n1 2226198 UTYCDDWPNJGPEI-UHFFFAOYSA-N 370.500 5.348 0 40 FKAB COc1cccc(-c2nc(N[C@H]3CCCC[C@H]3C)c3ccccc3n2)c1O 2263889 VSMOWZPIDRUSGX-PBHICJAKSA-N 363.461 5.002 0 40 FKAB CC(C)Sc1cc(SC(C)C)c(SC(C)C)cc1SC(C)C 2526464 GTFNUNQIHYSXTJ-UHFFFAOYSA-N 374.706 7.689 0 40 FKAB Clc1ccc(-c2cnc(Nc3ccc(Br)cc3)s2)cc1 2570939 JTESVKXOBFYKFK-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB O=c1[nH]c(Cc2ccc(F)cc2)nc2scc(-c3ccc(Cl)cc3)c12 2637184 MLZDNEOWQRFQFA-UHFFFAOYSA-N 370.836 5.035 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)c2ccccc2)c1 3176843 JCVVTISWNURKAX-UHFFFAOYSA-N 371.480 5.776 0 40 FKAB CC(C)c1ccc(C(=O)COC(=O)c2csc3c2CC[C@@H](C)C3)cc1 3417689 XJNMJZISWPBDTL-CQSZACIVSA-N 356.487 5.036 0 40 FKAB C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 4477954 YRMXCILLNZAXNX-WNLYKICVSA-N 371.524 5.318 0 40 FKAB COc1ccc(-c2nnc(Nc3cc(C)ccc3C)c3ccccc23)cc1 4663198 FSUCMDIZXXWYEB-UHFFFAOYSA-N 355.441 5.666 0 40 FKAB Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 4733805 ZVMLXRCEUFQBCO-UHFFFAOYSA-N 368.267 6.360 0 40 FKAB CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 5378165 YTFUSKKFMOVPSQ-BAFDNMDASA-N 366.411 5.108 0 40 FKAB CCCCC1=N[C@H]2Sc3c(NCC(C)C)ncnc3[C@@H]2C2=C1CCC2 6309819 SUEYEKHOZVQLKN-JXFKEZNVSA-N 356.539 5.185 0 40 FKAB O=C(CCSc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 6434819 ITYCZWCDLMROJX-UHFFFAOYSA-N 359.800 5.480 0 40 FKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 7072914 DUEVHJKAQOQONP-GFCCVEGCSA-N 352.261 5.524 0 40 FKAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 7785282 NWOUTVXSUFSSPA-KRWDZBQOSA-N 360.457 5.191 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N(C)C3CCCCC3)c2c1 8471914 ZYTZXOSQIKLRDE-UHFFFAOYSA-N 358.485 5.615 0 40 FKAB C[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F 9417453 UOXSGRGLBXGIEQ-MRXNPFEDSA-N 353.412 5.395 0 40 FKAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1sc2ccccc2c1Cl 15831358 CWRZEXPRIDMEEM-UHFFFAOYSA-N 372.808 5.601 0 40 FKAB COc1ccc([C@@H]2C[C@]23CCC[C@@]2(C[C@@H]2c2ccc(OC)cc2)C3=O)cc1 15885463 POPRWUSLIHMTDH-COSOUPRKSA-N 362.469 5.104 0 40 FKAB biogenic Cc1ccc(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)cc1 17075317 ZRMDWCACNROYKQ-UHFFFAOYSA-N 366.508 6.499 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccc(Cl)cc3)n2)cc1 17076378 LLTKKYHTBFWCRD-UHFFFAOYSA-N 372.899 6.536 0 40 FKAB Clc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1Cl 19293160 PRNYJYDRQQICCT-KBPBESRZSA-N 367.326 5.488 0 40 FKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 20808376 HGWWUTOSERYCPM-UHFFFAOYSA-N 370.452 5.872 0 40 FKAB CCCc1cc(Nc2ccc(OC)cc2)n2ncc(-c3ccccc3)c2n1 23114889 UIZDHUXYIUDNMG-UHFFFAOYSA-N 358.445 5.101 0 40 FKAB O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCCC[C@@H]1C(F)(F)F 84374436 LWCHLSPIPBJEGL-UONOGXRCSA-N 369.412 5.053 0 40 FKAB Cc1cc(C)c2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 100278182 TZXFIAVQRGFFJR-GAJHUEQPSA-N 352.522 5.266 0 40 FKAB COc1ccc([C@@H]2C[C@@]23CCC[C@]2(C[C@@H]2c2ccc(OC)cc2)C3=O)cc1 100741174 POPRWUSLIHMTDH-GXSHZHGVSA-N 362.469 5.104 0 40 FKAB biogenic COc1ccc(NCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 107041201 GELQPDRENSPUTE-UHFFFAOYSA-N 367.420 5.034 0 40 FKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 223412490 BDSGIPSWDOOHDY-HNNXBMFYSA-N 361.466 5.846 0 40 FKAB CC1(C)COc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2OC1 225360136 KANXDOIAXJDQOH-UHFFFAOYSA-N 366.244 5.043 0 40 FKAB CCOc1cccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225765402 NEJFIDPGVGSDAX-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225810029 AFILLIUTHWBTOV-UZUQRXQVSA-N 369.505 5.553 0 40 FKAB Cc1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408596675 SSBLQNMURXAQJU-UHFFFAOYSA-N 373.692 5.082 0 40 FKAB CCCc1sc(=Nc2cccc(C)c2)[nH]c1-c1ccc(OC)c(OC)c1 408755351 KQQGZHMBYGIRHW-UHFFFAOYSA-N 368.502 5.254 0 40 FKAB CCc1ccc(-n2c(C)nnc2SCc2cccc3ccccc23)cc1 409108359 WORWBPCGZSVBRF-UHFFFAOYSA-N 359.498 5.584 0 40 FKAB O=C(c1ccc(Br)cc1OC(F)(F)F)C1CCCCC1 575362677 YERLTILRTAJDOI-UHFFFAOYSA-N 351.162 5.111 0 40 FKAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(C)c3)ccc21 585105855 UIYNFEVIRKDVAZ-SFHVURJKSA-N 363.501 5.103 0 40 FKAB O=C(CCC1CCCC1)Nc1nc(-c2ccc3ccccc3c2)cs1 673068 VERPFCUDEOLKJA-UHFFFAOYSA-N 350.487 5.872 0 40 FKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc(F)cc1 822377 FVBYBKCKHOMPTI-JTSKRJEESA-N 374.459 5.347 0 40 FKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1OCC 936425 FEHIHIQGHGAYAJ-YRNVUSSQSA-N 359.853 5.098 0 40 FKAB COc1ccc(-c2csc(NNc3ccc(Cl)cc3Cl)n2)cc1 1395173 PMLYPHYJTZODGQ-UHFFFAOYSA-N 366.273 5.565 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnn1C(=O)c1ccccc1 1402530 XKISVPXAVOCPLK-GFCCVEGCSA-N 361.228 5.018 0 40 FKAB CC(C)OP(=O)(OC(C)C)C(=O)Nc1cc(Cl)ccc1Cl 1679141 NVIKINKSKIRSJR-UHFFFAOYSA-N 354.170 5.568 0 40 FKAB CN(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807518 AGUVSZFEVITMHD-UHFFFAOYSA-N 359.860 5.587 0 40 FKAB CC(C)CCSc1c(-c2ccc3ccccc3n2)cnc2ccccc12 2365333 HWMXOMZRFGQQPS-UHFFFAOYSA-N 358.510 6.588 0 40 FKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)cc1C 2733284 UNQHRTZMMSCUPT-UHFFFAOYSA-N 374.434 6.410 0 40 FKAB Fc1ccc(CN(Cc2ccco2)C(=S)Nc2ccccc2)cc1Cl 2769522 CNRSRQRWACQUFP-UHFFFAOYSA-N 374.868 5.471 0 40 FKAB CN1c2ccccc2N(C)C1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3205223 PDSRWWZFOYDPBC-UHFFFAOYSA-N 352.522 5.572 0 40 FKAB Cc1cc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)s2)c(C)c1 4070357 PFVPBTZOFONJHN-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4783592 OIHORBOMFNFQBP-CMMFVDGISA-N 360.538 5.166 0 40 FKAB in-vitro Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)c(Cl)c1 4866037 UKLNIAYRVVKLQX-UHFFFAOYSA-N 369.704 6.822 0 40 FKAB O=C(Oc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4917463 SAMCUSABSUFHNS-UHFFFAOYSA-N 359.812 5.774 0 40 FKAB CCCN1C(=O)c2cccc3c(Sc4ccccc4C)ccc(c23)C1=O 5430814 XKVCHFNKAPBCGF-UHFFFAOYSA-N 361.466 5.305 0 40 FKAB CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1ccccc1C 5455563 ZOQZSZXPAUACJB-UHFFFAOYSA-N 354.837 5.279 0 40 FKAB O=[S@@]1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 5722755 OPMACWLLFAYQRX-DVECYGJZSA-N 371.914 5.775 0 40 FKAB Oc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1 6095542 XUBABWJOIJRXNS-FMQUCBEESA-N 351.243 5.704 0 40 FKAB in-vitro O=C(CCc1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1cccs1 12266401 SJGLYKIQBCPBSP-JOCHJYFZSA-N 360.482 5.068 0 40 FKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12403992 HTEDHDXDXIPNOV-NOZRDPDXSA-N 368.480 6.052 0 40 FKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1oc2ccc(Cl)cc2c1C 12553741 RJRLTKIVYVDHJJ-UHFFFAOYSA-N 368.864 5.556 0 40 FKAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N(C)C)CC[C@@H](C)C3 12812857 MSCMMUQSMVBMHM-CYBMUJFWSA-N 364.514 5.098 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3)o2)cc1Cl 16346756 UPFKGNUOIWOQSU-CSKARUKUSA-N 372.251 6.214 0 40 FKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1C 16362751 DVLPMWDEUUDIHM-UHFFFAOYSA-N 353.506 5.395 0 40 FKAB COC(=O)CCCCCCCCSc1ccnc2cc(Cl)ccc12 30834231 BAIAYBFPANQECA-UHFFFAOYSA-N 365.926 5.884 0 40 FKAB Cc1occc1-c1nnc(SCc2ccc(Cl)c3cccnc23)o1 31650294 ACSAMVJECWCQDI-UHFFFAOYSA-N 357.822 5.132 0 40 FKAB O=C(Nc1cccc2c1CCCC2)c1ccccc1SC[C@@H]1CCCO1 32744439 DWJHWGCIBADOCY-KRWDZBQOSA-N 367.514 5.089 0 40 FKAB CN(c1ccccc1)c1ccccc1NC(=O)CSCc1cccs1 32931782 WEDFGHCPEXWHMK-UHFFFAOYSA-N 368.527 5.388 0 40 FKAB Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1Cl 47970291 GROBWQFBWFBWDQ-CQSZACIVSA-N 369.852 5.201 0 40 FKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)cc1Cl 48544541 ATRUNPRBHJNJDY-DHZHZOJOSA-N 358.224 5.905 0 40 FKAB Cc1cc(C)c2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[nH]c2c1 85345363 QXUZKGUMZZKMFO-UHFFFAOYSA-N 357.240 6.414 0 40 FKAB CC(C)n1cc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)cn1 96012378 GAOKGJHMOBTJMB-UHFFFAOYSA-N 361.854 5.114 0 40 FKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 96586413 AFSOFTDKCPFMEX-LBPRGKRZSA-N 364.272 5.278 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 100403451 FIWPMZXDLSBTPB-QFUCXCTJSA-N 351.515 5.206 0 40 FKAB CC1(C)[C@H]2C[C@H]1CC[C@@H]2CCOC(=O)COc1ccc(Cl)cc1Cl 104176544 MMNWATKUJSJOBZ-NFAWXSAZSA-N 371.304 5.378 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OC 106993078 ZOXQLQDISXIVNB-UHFFFAOYSA-N 374.695 6.056 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C 223402853 WCBJTGUQLPKDPW-DIWDRYHZSA-N 369.508 6.030 0 40 FKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccccc3C)nc2c1 226281992 JNWDBTGESMJOFH-UHFFFAOYSA-N 362.351 5.027 0 40 FKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 257278016 OAJYGSNFBDSBII-UNWVZKJWSA-N 368.492 6.199 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccccc1)c1ccccc1 409268626 WUBXAXAVFNPJOB-HMMYKYKNSA-N 367.370 5.885 0 40 FKAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl 682490 DVWFVMZRDZCBCS-UHFFFAOYSA-N 351.016 5.258 0 40 FKAB CCSc1nnc(COc2ccc(Cl)c(C)c2)n1C1CCCCC1 938158 HCZSJIXJJKMVLY-UHFFFAOYSA-N 365.930 5.436 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C)c(C)c1 1770407 KJEFCBLSHHRWIU-UHFFFAOYSA-N 368.864 5.734 0 40 FKAB CCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3ccccc3nc21 2447482 WXFQCWITGKNTIZ-UHFFFAOYSA-N 372.472 5.154 0 40 FKAB O=C(c1cn(CCOc2ccccc2Cl)c2ccccc12)C(F)(F)F 2488072 YAIYWVROEHTIGQ-UHFFFAOYSA-N 367.754 5.119 0 40 FKAB Cc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2ccc(Cl)cc2)cc1 3909943 ODZABBWBVQUWFG-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C1CCCCC1 4072472 BCGQUCSRKLRJHE-UHFFFAOYSA-N 352.459 5.188 0 40 FKAB CCSc1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 4585860 OXMUSDHXLKCBDS-UHFFFAOYSA-N 368.483 5.067 0 40 FKAB c1ccc(-c2ccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)cc2)cc1 4729001 AQESHMDCMHVRIJ-HHHXNRCGSA-N 374.487 6.709 0 40 FKAB COc1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccc(C)o3)cc2)c1 5002026 UGCPEKSVINJFFC-UHFFFAOYSA-N 374.396 5.171 0 40 FKAB CCCCCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 5030281 PIKYKWILJLPBKJ-UHFFFAOYSA-N 364.880 5.880 0 40 FKAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1 5198883 ONUXYYWKWPSGHA-KBXCAEBGSA-N 354.519 5.062 0 40 FKAB COc1ccc([C@@H](CCNCc2ccc(F)cc2)c2ccc(F)cc2)cc1 5518083 WSPPSTYUUVYFNI-QHCPKHFHSA-N 367.439 5.285 0 40 FKAB CCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21 5524073 LNWQWSTZGXVQTB-UHFFFAOYSA-N 357.544 6.070 0 40 FKAB COc1cc2c(cc1[C@@H](C)c1ccc(OCc3ccccc3)cc1)OCO2 6437407 PIELRBUQBZPBSW-INIZCTEOSA-N 362.425 5.155 0 40 FKAB CCn1nc(C)c2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 6635526 CMCGPJYGHIZZFP-UHFFFAOYSA-N 363.427 5.246 0 40 FKAB Cc1ccccc1C(=O)Nc1ccccc1SCc1ccc(Cl)cc1 10542797 RPHINPSSVPKAAV-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB C[C@@H](SCc1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 11340662 JEBOOWWVBJFUOE-SNVBAGLBSA-N 374.720 5.907 0 40 FKAB CN(Cc1ccc(Cl)nc1)c1ncnc2scc(-c3ccccc3)c12 12813684 YXYJDJLZOUDEQO-UHFFFAOYSA-N 366.877 5.043 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 12988522 MKTKNCMUVZLJAI-UHFFFAOYSA-N 360.244 5.048 0 40 FKAB CCCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 27663463 PHCJNOXDODCEQW-UHFFFAOYSA-N 369.461 5.523 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 30757141 BLVNVGNBXVIMCQ-JOCHJYFZSA-N 361.485 5.761 0 40 FKAB COc1c(Br)cc(Cl)cc1NC(=O)CCC1CCCC1 32885746 NCZGPWWSTJAXNQ-UHFFFAOYSA-N 360.679 5.020 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C 44856405 JVZCZPRUTWNVHW-HXUWFJFHSA-N 364.533 5.026 0 40 FKAB CC(C)(C)c1cc([C@@H]2NN=C(c3ccccc3)S2)cc(C(C)(C)C)c1O 59408991 WZHWBBOHQHXTDE-HXUWFJFHSA-N 368.546 5.684 0 40 FKAB FC(F)(F)c1ccccc1Nc1nc(-c2ccccc2Cl)cs1 67321782 VAXUNZCPDYIXAT-UHFFFAOYSA-N 354.784 6.226 0 40 FKAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118930409 GIYJTJPCTWLLOH-RHCGTSLQSA-N 360.538 5.166 0 40 FKAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cc3ccccc3o2)CCS1 219280736 VRGLTTPQUJLYHA-FQEVSTJZSA-N 351.471 5.062 0 40 FKAB COc1ccccc1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 226363427 NAWGTOWFQNKHQJ-UHFFFAOYSA-N 367.857 5.792 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(Nc1ccccn1)c1ccccc1 263621559 ZOUQTPPIGLPWOG-CQBMSCNUSA-N 372.449 5.490 0 40 FKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 408563216 ACZKYRWXDAJAKW-KRWDZBQOSA-N 363.482 5.907 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1Cl 408588397 VXTOEXZYCUYSGR-UHFFFAOYSA-N 358.652 5.688 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409114856 JQGNTYBTSYYAPJ-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB C[C@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(C(F)F)nc1 657961678 TUQCVZXGPFDHGX-LBPRGKRZSA-N 355.388 5.725 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 892287 FEKQCZMJWTYLFM-UHFFFAOYSA-N 370.427 5.910 0 40 FKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Sc1ccccc1 1388501 UINMMRDETTZBOD-UHFFFAOYSA-N 374.918 5.582 0 40 FKAB CCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)Nc2ccccc21 1902043 UOZNFQGLDVSMHC-AVRDEDQJSA-N 350.506 5.935 0 40 FKAB Cc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1C 2413173 OFOAUKHDSJXHQG-UHFFFAOYSA-N 361.470 5.265 0 40 FKAB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 3318456 ZQMVVLJGCPMOHI-UHFFFAOYSA-N 365.256 5.331 0 40 FKAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc2ccccc12 4088266 JRJFEDJIENYKFS-UHFFFAOYSA-N 358.422 5.108 0 40 FKAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(Cl)cc1 4138297 GUUAPVGVCBCPEJ-UHFFFAOYSA-N 353.853 5.022 0 40 FKAB Cc1ccc(Cl)c(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c1 4179437 TWOSCEVNKOELDG-NRFANRHFSA-N 350.801 5.099 0 40 FKAB c1ccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4403575 CBFSOKBLQATTRC-UHFFFAOYSA-N 350.461 6.195 0 40 FKAB C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 4543749 RXZHJRRWSMGDQV-GFXBCDTMSA-N 361.872 5.758 0 40 FKAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c[nH]c2ccccc12 4691464 RRSZEFIZTHQMOR-WAIKUNEKSA-N 356.469 5.683 0 40 FKAB O=C(/C=C/c1ccccc1)Oc1ccc2ccccc2c1Br 5734026 YQHMQEOFKWOWJQ-JLHYYAGUSA-N 353.215 5.221 0 40 FKAB CCOc1ccccc1NC(=O)[C@H](NC1CCCCCC1)c1ccccc1 7848695 QHGVJXUTGSXXCI-JOCHJYFZSA-N 366.505 5.078 0 40 FKAB C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 8221735 ZFKULNWBQFXRIJ-JTQLQIEISA-N 369.715 5.150 0 40 FKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 8335555 MCLYPIJNTLZGIX-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3ccccc3n2)cc1 9885546 RARHOLFWGXYBDE-UHFFFAOYSA-N 371.465 5.342 0 40 FKAB CC(C)(C)c1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 10333148 LWRLXJHLSUGGHA-UHFFFAOYSA-N 350.289 5.862 0 40 FKAB CC(C)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10338434 HEWBOPBSSUFETR-UHFFFAOYSA-N 361.510 6.355 0 40 FKAB O=C(NC1CC1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccc(F)cc1 12475937 IFUULAZSZHTHJU-MRXNPFEDSA-N 370.276 5.245 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12654298 VBWAQBZDGGCZAO-HFKUYRRBSA-N 363.542 5.079 0 40 FKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Cl)cc1Cl 12759313 CULOUKNKNPXXRD-UHFFFAOYSA-N 357.240 5.616 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C\c4ccccc4)c3)oc2c1 13616718 LAEFCSNTHQKQKL-RAXLEYEMSA-N 368.436 5.764 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 14153215 XSVQERMNEDZMIQ-IZZDOVSWSA-N 371.524 6.187 0 40 FKAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 14665417 XVVUAQRFDDRTNZ-CYBMUJFWSA-N 361.869 5.052 0 40 FKAB Nc1c(-c2nc3ccccc3nc2-c2ccc(Cl)cc2)oc2ccccc12 16525283 HQMUIGQLZZSHTR-UHFFFAOYSA-N 371.827 5.946 0 40 FKAB CCC(=O)N(CC)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712025 WUZOSPBWTYSPLN-LEWJYISDSA-N 373.443 5.110 0 40 FKAB CCCCOc1cccc(NCc2ccc(OC[C@H]3CCCO3)cc2)c1 19738355 DCFFNRGBEFORFU-JOCHJYFZSA-N 355.478 5.035 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1Cl 20108162 UGZYIPQSJXFKNM-OAHLLOKOSA-N 352.261 5.406 0 40 FKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(Cl)c1 27747009 WUVAZWIXYJLLNP-HXUWFJFHSA-N 374.871 5.383 0 40 FKAB CCOc1ccc2oc(C(=O)N[C@@H](CC)c3ccc(C)cc3)c(C)c2c1 32986454 ZWUKJGFQQBNIOV-IBGZPJMESA-N 351.446 5.329 0 40 FKAB CCCOc1ccc(Br)cc1CNc1ccc(C)c(Cl)c1 37188444 NVAVOPDWCOOKKO-UHFFFAOYSA-N 368.702 5.812 0 40 FKAB Cc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 38772625 ZDGIWUXZJFKILF-UHFFFAOYSA-N 361.510 5.777 0 40 FKAB C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)c2cc(Cl)ccc2S1 40150724 GFIYCNVWRYVHTP-CYBMUJFWSA-N 370.905 5.281 0 40 FKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(SC)c1 44949879 BBCRGHPYLVQFRZ-IBGZPJMESA-N 351.471 5.358 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4c5c(cccc35)CC4)o2)cc1C 106377664 CTFPFVWVWGANMT-UHFFFAOYSA-N 367.448 6.068 0 40 FKAB O=C(Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1OCc1ccccc1 219765620 MOXAHZKSFDIQGE-UHFFFAOYSA-N 373.786 5.450 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465359 GZLKGXOWOHOSQB-APWZRJJASA-N 359.897 5.300 0 40 FKAB CCCCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224165688 CAKCHUGUVPTOAF-UHFFFAOYSA-N 369.505 5.102 0 40 FKAB CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(OC)c(C)c1 225211109 NUQVPYFFQKKYBP-HXUWFJFHSA-N 351.490 5.083 0 40 FKAB CCc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225298895 NXDIRAXVXTVOBK-UHFFFAOYSA-N 364.967 5.122 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225508986 QPYJGZMNYYIEIA-SFHVURJKSA-N 351.490 5.623 0 40 FKAB Cc1ccc(C2(C(=O)Nc3cc(C)c(OC(C)C)c(C)c3)CCCC2)cc1 225514264 YACOZLMSLXOQNT-UHFFFAOYSA-N 365.517 5.850 0 40 FKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)c(C)c1 225667899 KVFIEXRDKUKOLD-NRFANRHFSA-N 353.506 5.625 0 40 FKAB CC(=O)O[C@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 253617257 PISMGMNRZZPIQZ-NQNIXMJNSA-N 360.538 5.310 0 40 FKAB Brc1cnc(OCc2ccccc2)c(OCc2ccccc2)c1 585656383 QETQJINSHFBNRZ-UHFFFAOYSA-N 370.246 5.002 0 40 FKAB Fc1ccc(Oc2ccc(-c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 1775977744 WBAWWTVQDIYNFB-UHFFFAOYSA-N 365.404 6.548 0 40 FKAB Nc1ccccc1SCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 1085564 HQYAANXKBBXSPZ-UHFFFAOYSA-N 368.889 5.467 0 40 FKAB C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807505 PNUAAIFWELAVJV-KSSFIOAISA-N 351.881 5.941 0 40 FKAB c1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2263200 GUQJSAWBMJHPOG-UHFFFAOYSA-N 366.468 5.216 0 40 FKAB CCO[P@]1(=O)C(c2ccccc2)=C(C(=O)OC)C[C@H]1c1ccccc1 2266025 LDDAIZZDLBKFJB-BVZFJXPGSA-N 356.358 5.030 0 40 FKAB Cc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 2431036 IDMRLFKKGXWCRX-UHFFFAOYSA-N 362.260 5.147 0 40 FKAB S=C(Nc1cccc2ccccc12)NC1CCCCCCCCCCC1 3092276 MHMHNKQVSVQQOO-UHFFFAOYSA-N 368.590 6.800 0 40 FKAB CCc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 3193911 CLZZXBNNROYKFJ-UHFFFAOYSA-N 373.496 5.592 0 40 FKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1Cl 3560979 IBZHMJPPCVHHBQ-UHFFFAOYSA-N 350.123 5.144 0 40 FKAB CCCCSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 4649954 VCRKKUXRSSYDJR-UHFFFAOYSA-N 350.896 5.197 0 40 FKAB Oc1cc(OCc2ccccc2F)ccc1-c1n[nH]cc1-c1ccccc1 5217080 VLQMESBSTCBVLW-UHFFFAOYSA-N 360.388 5.167 0 40 FKAB CCCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 7261355 ZBMBGXIZYOJQFJ-UHFFFAOYSA-N 352.305 5.852 0 40 FKAB Cc1cc2occ(CC(=O)Oc3ccc4oc5ccccc5c4c3)c2cc1C 7814807 QMTWSEGHBHIUFR-UHFFFAOYSA-N 370.404 6.097 0 40 FKAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111751 AGTYKYQYVSFSAC-KRWDZBQOSA-N 355.547 5.403 0 40 FKAB Cc1ccc(-n2nc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c2C)cc1 12740678 BOSYTSQJYBFSPF-UHFFFAOYSA-N 374.271 5.357 0 40 FKAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C(c1ccccc1)c1ccccc1 12814379 FUDCQDKNPWJGJG-MSOLQXFVSA-N 361.407 5.056 0 40 FKAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3ccc(C)cc3C)n2)cc1 12971859 JPZRHEXQXGKPTN-QFIPXVFZSA-N 362.473 5.304 0 40 FKAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 13946178 JNJNCWUGOWXINX-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cc1ccc(CN(Cc2ccncc2)Cc2cccc3cccnc23)cc1 13989290 QXLMRGUOUBHUPP-UHFFFAOYSA-N 353.469 5.141 0 40 FKAB S=C(Nc1ccccc1Cl)N(Cc1ccccc1)c1ccccc1 16316256 SQSNXAVKBIGHNP-UHFFFAOYSA-N 352.890 5.744 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 20491132 GISLLSFOUHXHJW-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1 30116555 UDTHOBDBLQFGDB-XUXNNNHQSA-N 351.412 5.099 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2)cc1 30872725 LJIUTBSWHPGEKZ-JOCHJYFZSA-N 369.505 5.101 0 40 FKAB CCCOc1ccc(NC(=O)c2oc3ccccc3c2C)c2cccnc12 32624398 ZZHZMVXWNYWACO-UHFFFAOYSA-N 360.413 5.331 0 40 FKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1ccsc1 32768916 WPNVVTJALPVOSW-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB FC(F)(F)Sc1ccc(NCc2ccccc2Br)cc1 35041242 NSYVQRHTQDGZGW-UHFFFAOYSA-N 362.214 5.673 0 40 FKAB Cc1c(-c2csc(C[C@H](C)n3cc(Cl)cn3)n2)oc2ccccc12 58438639 BJUOJLWABLULBS-NSHDSACASA-N 357.866 5.518 0 40 FKAB C[C@@H](NC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccc2ccccc2c1 59037284 YSBHWYITEOALBP-OAHLLOKOSA-N 361.489 5.160 0 40 FKAB CC[C@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)c1ccccc1 206897139 SZXCGKYXIDUMRC-SFHVURJKSA-N 355.441 5.134 0 40 FKAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222907517 OKSYEXFGHVFZPM-HXUWFJFHSA-N 355.478 5.179 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 223008225 OQJXLHQTUHLSKU-INIZCTEOSA-N 372.679 5.751 0 40 FKAB Cc1ccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)O)cc1 225130539 PBKNWWQVXFPLCO-FQEVSTJZSA-N 364.466 5.221 0 40 FKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1)C[C@]2(C)NC(=O)C1CCCC1 257331269 XSBVMSRXUXMSQI-BQSWGBOTSA-N 355.522 5.018 0 40 FKAB Clc1ccc2c(c1)NCC21CN(C(c2ccccc2)c2ccccc2)C1 306145897 UZMSQPPBYNNZKE-UHFFFAOYSA-N 360.888 5.109 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 408629352 YCMZJQQZMONBMB-OQOKOFKUSA-N 366.549 5.610 0 40 FKAB O=c1oc2ccccc2cc1-c1nc(-c2ccccc2)c2ccccc2n1 1889291337 AIIYMQUKYORJMA-UHFFFAOYSA-N 350.377 5.070 0 40 FKAB Cc1sc2nc(Cc3ccc(Cl)cc3)[nH]c(=O)c2c1-c1ccccc1 634219 YZMSYKUYUBUWEX-UHFFFAOYSA-N 366.873 5.204 0 40 FKAB CCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1 1396713 GUHCWPAQANNICY-UHFFFAOYSA-N 352.143 5.026 0 40 FKAB CCCCc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1 2493526 DDWHEMHUFIYPEX-GFUHDUPZSA-N 370.521 6.773 0 40 FKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1-c1ccccc1 2576860 HEKGDMWOXJIGNQ-UHFFFAOYSA-N 367.231 6.434 0 40 FKAB biogenic C[C@@H](NC(=S)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1 3477539 KNFANBPLNLLQNR-GOSISDBHSA-N 360.526 5.121 0 40 FKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@H](C)CC[C@H]21 4026745 KPIXKDQLMOSNMI-BOVNMFPKSA-N 368.561 7.167 0 40 FKAB biogenic CC[C@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1cc2c(cc1Cl)OCO2 4748218 DHABYFASWXICCE-DHSIGJKJSA-N 364.869 5.301 0 40 FKAB CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccccc1F 4817081 OSEMGXGVNGHUDP-IBGZPJMESA-N 365.385 5.980 0 40 FKAB O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)C1CCCCC1 5257037 SRJSDNFZMGMVRJ-LJQANCHMSA-N 372.306 5.235 0 40 FKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 5471292 AMDYMBHEBJDINN-CYBMUJFWSA-N 361.869 5.052 0 40 FKAB CCNC(=O)/C=C(C)\C=C\C=C(C)\C=C/c1c(C)cc(OC)c(C)c1C 5650408 IYIYMCASGKQOCZ-CBEMYHMWSA-N 353.506 5.219 0 40 FKAB Fc1ccc(Sc2nc(-c3ccccc3)nnc2-c2ccccc2)cc1 5685043 XOVMQFXCRHHNMI-UHFFFAOYSA-N 359.429 5.496 0 40 FKAB O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1cccs1)c1ccccc1 5771963 RWAZEHPUSYCDCQ-CIAFOILYSA-N 363.526 5.374 0 40 FKAB O=C1CS[C@@H](/C=C/c2ccccc2)N1c1cc(Cl)ccc1Cl 5870249 AYNDJIQANFPQDL-NADMHLTPSA-N 350.270 5.113 0 40 FKAB O=C(CCCSc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 6172301 ARSGIPKTMRSETR-UHFFFAOYSA-N 364.879 5.207 0 40 FKAB Cc1cc(NC2CCCCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 6233281 SKCDTOLFBMDGBS-UHFFFAOYSA-N 354.885 5.411 0 40 FKAB Cc1csc(N(C(=O)CSc2ccccc2C)c2ccccc2)n1 6588798 CZJJTWPEOJSPBV-UHFFFAOYSA-N 354.500 5.217 0 40 FKAB Cc1nn(-c2cccc(F)c2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 8873656 OSJDXWXHOJOMSZ-UHFFFAOYSA-N 371.337 5.554 0 40 FKAB CC(C)c1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1 8902971 XWWAECQKOVYXHJ-UHFFFAOYSA-N 370.452 5.799 0 40 FKAB Cc1ccc(-c2nnc([C@@H](C)Sc3c(Cl)cccc3Cl)o2)cc1 9589180 QZMIQFWBUYHCOQ-LLVKDONJSA-N 365.285 6.205 0 40 FKAB CCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 11211481 ZGWNJDWVYOGYHT-UHFFFAOYSA-N 374.444 5.087 0 40 FKAB O=C(CCCc1cccs1)N1CCc2sccc2[C@@H]1c1ccccc1 12887542 QQZQPIBOPGWSBR-NRFANRHFSA-N 367.539 5.307 0 40 FKAB Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)cc1 13925367 HDOLFUCRQOPLGB-PDGQHHTCSA-N 363.800 5.253 0 40 FKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1ccccc1Cl 14244024 OBTAZHXHAFPSMG-UHFFFAOYSA-N 363.869 6.000 0 40 FKAB CCc1ccc(-n2c(N)c(-c3nc4ccccc4s3)sc2=S)cc1 16742631 ZYTDIVDLSWMTPF-UHFFFAOYSA-N 369.540 5.690 0 40 FKAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4cccc(Cl)c4)C3)o2)s1 19217623 BJWJECOMNZPUIH-HNNXBMFYSA-N 373.909 5.140 0 40 FKAB Clc1ccccc1OCCNc1ccc(OCCc2ccccc2)cc1 19738287 VTSCLHRUUREWMQ-UHFFFAOYSA-N 367.876 5.452 0 40 FKAB Cc1noc2c1N=C(c1ccc(F)cc1)C[C@@H](c1ccccc1Cl)C2 19872792 GTYMSOMJONMQGC-CQSZACIVSA-N 354.812 5.626 0 40 FKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 27548438 LLSSGDAQRIIWOP-FXAWDEMLSA-N 350.805 5.175 0 40 FKAB Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 33688421 QCQILCXDQIMZCZ-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Cc1ccc(-c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1C 33737735 DWBPSSZQRQNUOY-UHFFFAOYSA-N 374.465 5.939 0 40 FKAB COc1ccc(-c2csc(C(=O)Nc3ccccc3)c2-n2cccc2)cc1 38654662 HXOYZVJKGXJPPT-UHFFFAOYSA-N 374.465 5.467 0 40 FKAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 58160692 MPAUIXLAVDZIEW-QWRGUYRKSA-N 371.695 5.325 0 40 FKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 69950332 KIMIGRLINLIRFY-UHFFFAOYSA-N 371.396 5.329 0 40 FKAB c1ccc(CN2CCCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 72217327 OZLVOGNJRPRSRL-JOCHJYFZSA-N 366.574 6.234 0 40 FKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccccc2)C[C@@H](c2ccco2)C1 100141942 YFJCWIGMZAHKFW-MWTRTKDXSA-N 356.425 5.909 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(Cl)cc2)cc1 199422221 RREYDSDKFYBKEP-HNNXBMFYSA-N 372.896 5.457 0 40 FKAB CCSc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222694037 GHGZBUKATLZIHO-UHFFFAOYSA-N 365.951 5.963 0 40 FKAB CC(C)OC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225450023 QANNEOQJSAJLIG-UHFFFAOYSA-N 360.457 5.036 0 40 FKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225821002 VBXUKAMAMYTLST-QFIPXVFZSA-N 357.494 5.407 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCCC2)cc1 225933302 AUUBZLAYPDACNK-UHFFFAOYSA-N 363.379 5.344 0 40 FKAB CCOc1c(Br)cc(CNc2ccccc2CC)cc1OC 314224706 BJFJJOJVPGYFSW-UHFFFAOYSA-N 364.283 5.031 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408680571 NPGMOXUCONPUGI-INIZCTEOSA-N 371.786 5.463 0 40 FKAB Cc1ccc(COc2cccc(CNc3cc(Cl)ccc3C)c2)cc1 409120835 VADOSIDXIBURSZ-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB COc1cc(C=O)ccc1Oc1nnc(-c2ccc(F)cc2)c2ccccc12 707056 CAMNGLUVJNFDAA-UHFFFAOYSA-N 374.371 5.049 0 40 FKAB Cc1ccc(NCn2nc(-c3ccc(C(C)(C)C)cc3)oc2=S)cc1C 712728 HLTDDGBSRPBHNO-UHFFFAOYSA-N 367.518 5.857 0 40 FKAB Cc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)c(Br)c1 920302 OGBIAEUEOJKQCN-UHFFFAOYSA-N 369.262 5.175 0 40 FKAB COc1cccc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)c1 944685 RRBMLFJXEUNDQX-UHFFFAOYSA-N 356.425 5.715 0 40 FKAB COc1ccc([C@H](C)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 1295476 LYEDNWOKJZIYAU-CYFREDJKSA-N 367.533 5.263 0 40 FKAB biogenic COc1ccc(-c2csc(N3CCC(Cc4ccccc4)CC3)n2)cc1 1456411 LZHOJFQHZGYPBS-UHFFFAOYSA-N 364.514 5.278 0 40 FKAB COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Cl 1986221 WJLJYJIMNXQBIN-XVNBXDOJSA-N 356.636 5.307 0 40 FKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)c(C)c1)CO3 2113831 BKRLZHCIBYUNJW-UHFFFAOYSA-N 363.457 5.027 0 40 FKAB biogenic COc1ccccc1[C@@H](Nc1ccc(C)cc1)c1c(C)[nH]c2ccccc12 2546242 KXKWKWNZIOPFFK-XMMPIXPASA-N 356.469 5.995 0 40 FKAB Cc1nc(SC/C=C/c2ccccc2)c2c3c(sc2n1)C[C@H](C)CC3 2655150 BAGZFIDDPYGHTD-VIIAAUOXSA-N 366.555 5.930 0 40 FKAB CC(C)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 3353976 KWRUYPUKDGXCFQ-QGZVFWFLSA-N 370.707 5.703 0 40 FKAB O=C(c1cc(F)c(F)c(F)c1F)N(Cc1ccccc1)c1ccccc1 3367696 IBKDDGPOWIANQD-UHFFFAOYSA-N 359.322 5.090 0 40 FKAB C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 4414712 XOVIGEUBTMKYRB-GFCCVEGCSA-N 358.463 5.069 0 40 FKAB CCCC[C@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 4549844 HEEABNGUQKTAQA-DEOSSOPVSA-N 371.524 6.040 0 40 FKAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccc(F)cc2)n1 5518217 BYYADXJENGJXQW-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccccc1 5589740 NNKRPEWRUNUJRC-IBGZPJMESA-N 369.251 5.765 0 40 FKAB FC(F)(F)c1cc(NC(=S)NCCC2=CCCCC2)ccc1Cl 6471151 QKQPYYFAFMJGEC-UHFFFAOYSA-N 362.848 5.536 0 40 FKAB Cc1occc1-c1nnc(SCc2csc(-c3ccsc3)n2)o1 7644294 PPIXFBRIXGZGDS-UHFFFAOYSA-N 361.473 5.115 0 40 FKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 7795577 DXWCBLDKIIFBQR-LLVKDONJSA-N 355.463 5.181 0 40 FKAB Clc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1Cl 12563430 KGAZSYFAPIVJIN-HXUWFJFHSA-N 366.251 5.983 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccc(CSc2ccccc2)o1 12908322 HASDEBXTFPQNDF-UHFFFAOYSA-N 365.498 5.949 0 40 FKAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(Cl)cc1 14388747 IKUXWEWRZMIZHK-ZDUSSCGKSA-N 358.894 5.150 0 40 FKAB COC(=O)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)s1 16216870 OCSMJHBUYWSOBV-UHFFFAOYSA-N 369.442 5.022 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)cc1C 20796604 MFHPJEJTPSKEJA-ZDUSSCGKSA-N 363.436 5.137 0 40 FKAB Cc1ccc(OCc2nc(-c3cccs3)oc2C)c2c1[C@@H](C)CC2=O 24037152 PYFOQNNULSMKIC-LBPRGKRZSA-N 353.443 5.289 0 40 FKAB C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(-n2cccc2)cc1 32609616 DBSDUNYXXATJOY-CYBMUJFWSA-N 359.256 5.275 0 40 FKAB Cc1ccc2nc(NC(=O)c3ccc(COc4ccccc4)cc3)sc2c1 32958360 PKYDOFCWFGBFOA-UHFFFAOYSA-N 374.465 5.436 0 40 FKAB Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 36246365 BOYDXJQAFZNRSW-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Clc1cccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1 67321872 IORXOHGRCIEGHI-UHFFFAOYSA-N 355.677 6.514 0 40 FKAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348625 VJCKSZJXHPUYGP-JOCHJYFZSA-N 370.496 5.001 0 40 FKAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)oc1ccccc12 95454969 SQXZHWUFDWISSR-SFHVURJKSA-N 374.444 5.295 0 40 FKAB CC(C)c1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171060 UQPKBZMTIXUVFX-UHFFFAOYSA-N 356.775 6.126 0 40 FKAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(C)cc1C 225361795 XYJPELYDLMFGMU-LJQANCHMSA-N 364.316 5.810 0 40 FKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(Br)c2)cc1C 225706129 FMXGLSYBOLIXJZ-ZDUSSCGKSA-N 363.324 5.114 0 40 FKAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c2cccnc12 225905212 YXCPXIMENOWERF-QFIPXVFZSA-N 372.509 5.194 0 40 FKAB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 226365973 LNZTZBLWGCHYCT-UHFFFAOYSA-N 369.420 5.092 0 40 FKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 409114484 HRDAZDYIMUWNAF-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1oc2ccc(OCc3ccc(Cl)cc3Cl)cc2c1C(=O)O 639326 VLNKGYVMUWTEAV-UHFFFAOYSA-N 351.185 5.325 0 40 FKAB biogenic Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)c(C)c3)nc2c1 822713 NORIIIRNINSWEB-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)cc1 888359 BKKSHCMHZSMGOZ-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB CC(C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 1095933 KFRPHAKIBGWXGP-UHFFFAOYSA-N 364.308 5.303 0 40 FKAB CCCC[C@@H](CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 2069842 AKJJSRJYCPQONY-MRXNPFEDSA-N 368.477 5.102 0 40 FKAB O=C(Nc1ccc(Nc2ccccc2)cc1)C1(c2ccccc2)CCCC1 2512590 YEOFSQXYZIVRPV-UHFFFAOYSA-N 356.469 5.881 0 40 FKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)C(C)C)cc1 2721201 RGHZJNTZVMQSBA-UHFFFAOYSA-N 352.503 5.008 0 40 FKAB CCCCC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 2739915 RAODYQZSHVTSQI-HNNXBMFYSA-N 352.503 5.662 0 40 FKAB Clc1ccc(CSc2nnc(SC[C@H]3CCCCO3)s2)cc1 3280139 PCOBFSIPQWYQRC-CYBMUJFWSA-N 372.968 5.145 0 40 FKAB CC1(C)Cc2ccccc2C(/C=C2\NC3(CCCCC3)Cc3ccccc32)=N1 4450982 CGQUMPUWJUCCIY-JLPGSUDCSA-N 370.540 5.700 0 40 FKAB CC(C)C(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 4527467 WNNCPUXHSDIRMB-UHFFFAOYSA-N 355.438 5.287 0 40 FKAB CCCC[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 4549845 HEEABNGUQKTAQA-XMMPIXPASA-N 371.524 6.040 0 40 FKAB Cc1cc(C)c(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c(C)c1 4567328 IJUYGZWXCRYIKB-VCHYOVAHSA-N 371.889 5.502 0 40 FKAB CCCCOc1ccc(C(=O)[C@H](CN2CCCCC2)c2ccccc2)cc1 4577728 QWQUZZQJNYOOBQ-HSZRJFAPSA-N 365.517 5.318 0 40 FKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccccc1 4593276 PGPPFKWQIHASKT-UHFFFAOYSA-N 353.421 5.567 0 40 FKAB FC(F)(F)c1cc(-c2cccs2)nc(SCc2ccccc2)n1 4776542 ZUOIYRLAMAVBJO-UHFFFAOYSA-N 352.406 5.516 0 40 FKAB COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 5178427 HQIGUEZJTGGOOI-UHFFFAOYSA-N 368.742 5.130 0 40 FKAB CC(C)CC[C@@H](CCN[C@@H](C)c1cccs1)[C@@H]1CCOC(C)(C)C1 5266744 LUPYCHXACSWWHP-GBESFXJTSA-N 351.600 6.046 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc(C)ccc2C)cc1 6204964 YAZFPCGMRUUAER-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(C)C)cc2)c1 6263856 KBELOTHJFVXXIJ-UHFFFAOYSA-N 358.869 5.454 0 40 FKAB Cc1ccc(OCCCn2c(/C=C/c3ccco3)nc3ccccc32)cc1 6389840 CRWQLJHZDQVBSN-BUHFOSPRSA-N 358.441 5.577 0 40 FKAB CCCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OCC 6880739 GNIDZNBYKSLPNN-UHFFFAOYSA-N 354.277 5.793 0 40 FKAB COc1cccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)c1OC 7669091 FCIALAZAXDHXCK-BUHFOSPRSA-N 367.489 5.603 0 40 FKAB O=C(Nc1nc2ccc(Cl)cc2s1)C1(c2ccc(F)cc2)CCCC1 7985331 HSULZWGYFBINSR-UHFFFAOYSA-N 374.868 5.539 0 40 FKAB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C(C)C 8334091 ZZVFBEBDADGIAZ-RQZCQDPDSA-N 374.893 5.580 0 40 FKAB Cc1ccc(COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 8372938 DNIDSTFLMNFZGF-UHFFFAOYSA-N 354.789 5.078 0 40 FKAB CC(C)c1cc(C(=O)Nc2cccc(Cl)c2F)c2cnn(C(C)C)c2n1 12743990 HNKXAGZIYLHQLT-UHFFFAOYSA-N 374.847 5.180 0 40 FKAB CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1 12882913 LVJIPRXHRMBQJQ-UHFFFAOYSA-N 370.468 5.101 0 40 FKAB CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14771440 WWTIBKBYMUJLRB-UHFFFAOYSA-N 372.877 5.288 0 40 FKAB CN(C)c1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 15720131 QFDILNSQLYJEDC-UHFFFAOYSA-N 368.527 5.359 0 40 FKAB Clc1ccc(OCc2ccccc2)c(CNCCc2ccccc2)c1 16479337 IGIVFTZPGAOPNX-UHFFFAOYSA-N 351.877 5.251 0 40 FKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(F)ccc1F 17338379 RNIOSLTUQLBFHC-UHFFFAOYSA-N 364.804 5.302 0 40 FKAB CCCCOc1cccc(NC[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 19738343 SJZCQQOYJOYNNO-CQSZACIVSA-N 368.304 6.052 0 40 FKAB O=C(O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 33341837 ZJSNNXVCGBDALG-SFQUDFHCSA-N 369.214 5.334 0 40 FKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccccc2)n1 40556473 HOJGZYDCJOUZNI-UHFFFAOYSA-N 372.519 5.303 0 40 FKAB CC(C)C(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1 65565289 COGFTTUBGMHGFR-UHFFFAOYSA-N 372.881 5.197 0 40 FKAB Cc1nc(-c2cccc(NC(=O)[C@@H](c3ccccc3)n3cccc3)c2)cs1 70636913 GGAWBCAFRCRZHF-OAQYLSRUSA-N 373.481 5.148 0 40 FKAB CC(C)Sc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72217571 CLNOXWARQBZKFG-IBGZPJMESA-N 370.518 5.446 0 40 FKAB CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccc2ccccc12 72289138 JKUKLURDKNGWAL-QFIPXVFZSA-N 362.473 5.063 0 40 FKAB CCOc1ccc(CNCc2ccc(-c3ccccc3F)s2)cc1OC 96998250 QPHUBSKCEQMBAO-UHFFFAOYSA-N 371.477 5.251 0 40 FKAB COc1c2occc2c(OC/C=C(/C)CCC=C(C)C)c2ccc(=O)oc12 104957729 OQHQALGVQDTJDN-GDNBJRDFSA-N 368.429 5.619 0 40 FKAB biogenic,in-vitro Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 219525745 AEYREVLMWVHXKS-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB O=C(Nc1cccc2ccccc12)c1cnc(-c2ccc(Cl)cc2)nc1 222602789 RNLUANLROXHXSB-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223021826 MDXRTDSUHWLJEK-VGSWGCGISA-N 367.558 5.622 0 40 FKAB CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc2c(c1)CCCC2 223109594 TWIOGIXQPXIMNN-OAQYLSRUSA-N 351.490 5.234 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 223316337 KVWQDMCUQVVCHP-UTKZUKDTSA-N 351.490 5.080 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)cc1 224938622 SRSHAYKDPSNQMG-UHFFFAOYSA-N 363.288 5.165 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(Br)c1 225321775 KTIDBISABFMEKO-UHFFFAOYSA-N 373.077 5.327 0 40 FKAB O=C(c1ccc(Br)cc1C(F)(F)F)C(Cl)(Cl)Cl 575362478 PJNAXFYJWVSANH-UHFFFAOYSA-N 370.379 5.021 0 40 FKAB Cc1cc(C)cc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 675340 AELJOULOWJNMDE-UHFFFAOYSA-N 360.295 5.616 0 40 FKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1 756783 SENZMBQKIJMWGH-UHFFFAOYSA-N 374.875 5.341 0 40 FKAB Ic1ccc2c(c1)[C@H]1c3cccc4cccc(c34)[C@@H]21 988512 JKFPYEGOQFMNLZ-QZTJIDSGSA-N 354.190 5.035 0 40 FKAB COc1ccc(-c2cn3cc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1 1322702 ZKCSMZUAIYFYOT-UHFFFAOYSA-N 372.468 5.428 0 40 FKAB biogenic Cc1cc2c(cc1C)-c1c(sn(-c3ccc(F)cc3)c1=S)C(C)(C)N2 2070724 XZDDXNADWFRCGE-UHFFFAOYSA-N 370.518 6.352 0 40 FKAB CCCCCCc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O 2129598 KNOZNBGKEMUTFJ-UHFFFAOYSA-N 354.402 5.036 0 40 FKAB biogenic CCC[C@H]1C[C@@H](c2nc(-c3ccc(Br)cc3)cs2)CCO1 2230370 LKRYDJIMQIOOJR-ZFWWWQNUSA-N 366.324 5.635 0 40 FKAB O=C(COc1ccc(Cl)cc1C1CCCCC1)NCc1cccs1 2654009 ZLJGJBGNNMGSJV-UHFFFAOYSA-N 363.910 5.144 0 40 FKAB CCCCCCOc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 3274930 BKSBCVHMZSDBCT-SAPNQHFASA-N 355.459 5.052 0 40 FKAB Cc1ccc(C)c(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 3321462 GHJDPNDIDDJVNI-SOFGYWHQSA-N 363.240 5.050 0 40 FKAB Cc1cc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)c(C)o1 3343061 YUUBYRMJLWTLQP-UHFFFAOYSA-N 359.494 6.719 0 40 FKAB O=C(Nc1ccccc1)OCCCCCCCCCCCN1CCCCC1 4286316 DBRNTIMPLXFMHQ-UHFFFAOYSA-N 374.569 6.232 0 40 FKAB Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3ccc(C(=O)O)cc3)o2)o1 4862821 SZISJIBJIWPBQL-UHFFFAOYSA-N 362.381 5.628 0 40 FKAB CC1(C)Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 5446695 YEUUYZMMNDCVAH-QFIPXVFZSA-N 354.453 5.633 0 40 FKAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1-c1ccccc1 5628661 MBJFKCFFQZHNMN-UHFFFAOYSA-N 360.438 5.226 0 40 FKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2)cc1 6085499 JARLTRJWOZHKNT-UHFFFAOYSA-N 374.480 5.296 0 40 FKAB CC(C)c1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1 6331930 AOEKAHSLEZDQAB-UHFFFAOYSA-N 350.487 5.885 0 40 FKAB Cc1ccc(C(C)C)c(OCCCSCc2nc3ccccc3[nH]2)c1 6752663 QANUDVXKGPXMRU-UHFFFAOYSA-N 354.519 5.697 0 40 FKAB Cc1ccc(-c2csc(NC(=O)Nc3ccc(Cl)cc3Cl)n2)o1 7777124 BMQWRZXJRZQRDC-UHFFFAOYSA-N 368.245 5.662 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 7996234 UDQMIRXMUSEXDD-AWEZNQCLSA-N 350.487 5.884 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9064421 SVXWLVSPEWOUBG-QGZVFWFLSA-N 350.506 5.615 0 40 FKAB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C(C)(C)C)cc1 10276206 SBXISEJYGGGRST-SFHVURJKSA-N 364.533 5.071 0 40 FKAB Cc1ccc(Cl)cc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11264586 UZCBHDVVJWEEGS-HXUWFJFHSA-N 370.905 5.028 0 40 FKAB COCc1c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)oc2ccccc12 12595367 RBLAZZLQVQILGD-IBGZPJMESA-N 369.848 5.114 0 40 FKAB Cc1ccc(-c2cs/c(=N\C3CCCCC3)n2C2CCCCC2)cc1 13302194 LCCNRWDKSKGPJR-FCQUAONHSA-N 354.563 6.264 0 40 FKAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665483 FUVMYWYHMAASKO-INIZCTEOSA-N 355.478 5.177 0 40 FKAB O=C(O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl 20138978 FCBUFKRBHTWUHO-UHFFFAOYSA-N 360.196 5.097 0 40 FKAB Cc1c(C(=O)Nc2ccccc2SC(F)F)oc2c(F)cccc12 23268192 RHJFBMKNJKZLBY-UHFFFAOYSA-N 351.349 5.447 0 40 FKAB COc1ccc(-c2nc(CSCc3cccc4cccnc34)co2)cc1 31424682 WNDRNSSNGRYLKY-UHFFFAOYSA-N 362.454 5.332 0 40 FKAB COP(=O)(CCCCCCCCCCP(=O)(OC)OC)OC 38594928 MGDZAMFHKWQZNO-UHFFFAOYSA-N 358.352 5.079 0 40 FKAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1 39370714 JEHUPTTXCYYZAN-UHFFFAOYSA-N 372.428 5.134 0 40 FKAB CC(C)c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 41007104 KIEYVFMDWVICOL-UHFFFAOYSA-N 358.235 5.571 0 40 FKAB Cc1ccccc1-c1nnc(S[C@@H](C)Cc2ccc3ccccc3n2)o1 72312921 YTVSRFMWUKHOOR-HNNXBMFYSA-N 361.470 5.317 0 40 FKAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 78458568 LQSYOJGRUXKTPH-JTSKRJEESA-N 361.485 5.437 0 40 FKAB CN(CCCNc1cc(C(F)(F)F)nc2ccccc12)C1CCCCC1 89346026 JTYYNZAOFAITGG-UHFFFAOYSA-N 365.443 5.320 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@@H]1CC=C2CCc1ccccc1 118915041 VBTNPIPMZUSOJR-XMIRPNQRSA-N 360.585 7.364 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl 225544023 VSSXJAGBAZFCGJ-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB Cc1ccc(SCCCNC(=S)Nc2cccc(Cl)c2)cc1 225586649 TUBNTFCULPYUHL-UHFFFAOYSA-N 350.940 5.117 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC(C)CC1 225856228 JFZIUJFYDUOJCD-UHFFFAOYSA-N 373.415 5.028 0 40 FKAB Cc1ccccc1-n1nc(C(=O)O)cc1-c1ccc(-c2ccccc2)cc1 408724269 JHLUAQSRRUGEGG-UHFFFAOYSA-N 354.409 5.213 0 40 FKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc4ccccc34)sc2c1 675092 GXPLGYRMIMXFRS-UHFFFAOYSA-N 367.857 5.969 0 40 FKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 944028 GSLMZJMNBGQOKC-VMPITWQZSA-N 360.162 5.664 0 40 FKAB Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)no1 998411 VCYPMQDWWGCEPE-UHFFFAOYSA-N 357.413 5.067 0 40 FKAB aggregator CC(C)(C)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccn1 1020475 XYXFGFRCKGSNJJ-UHFFFAOYSA-N 358.485 5.222 0 40 FKAB O[C@H](c1ccccc1)c1oc2ccccc2c1-c1cnn(-c2ccccc2)c1 1081969 NBDOSILRDJUOQH-HSZRJFAPSA-N 366.420 5.367 0 40 FKAB Cc1cc(C)c(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c(C)c1 2121247 PRMOSFXBJIDBQU-UHFFFAOYSA-N 363.457 5.000 0 40 FKAB biogenic CCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1-c1ccccc1 3057286 RBKJPYFXMQUXJF-UHFFFAOYSA-N 374.465 5.884 0 40 FKAB Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 3067987 FEYIBZAXJPGFQX-OAQYLSRUSA-N 367.851 6.214 0 40 FKAB Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)c(Br)c1 3326619 AUQQNRFCYJDYTI-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC 4171228 UCLGIKKXOIONJU-OTGYPNLISA-N 351.534 5.656 0 40 FKAB CCCOP(=O)(CCCP(=O)(OCCC)OCCC)OCCC 4403936 JDWYCHWTZFAXHK-UHFFFAOYSA-N 372.379 5.469 0 40 FKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](CC)C4)N2)cc1 4545448 HCLXPEYUCAMXBA-KZULUSFZSA-N 356.491 5.091 0 40 FKAB Cc1ccc(NC(=O)CCCCCCCCCC[C@H]2CCCO2)c(C)c1 4812224 RGGVLVLKEUBHJE-NRFANRHFSA-N 359.554 6.322 0 40 FKAB CCCCOCCCn1c(-c2cccs2)cs/c1=N\c1cccnc1 5694139 MFIBCOWAAFTAGB-VZCXRCSSSA-N 373.547 5.112 0 40 FKAB COc1cc2sc(NC(=O)c3ccc4ccccc4c3)nc2cc1Cl 6441339 RLNMMRPKYVZDBD-UHFFFAOYSA-N 368.845 5.364 0 40 FKAB Cc1ccc(C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 6809635 AIMALNMSSGYBTJ-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1SCc1ccccc1 7684518 WMAWOYMKTJPHMV-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB C[C@@H](NCc1ccccc1OCc1ccccc1Cl)c1ccccc1 8535353 ZYKWVQKQBCQISX-QGZVFWFLSA-N 351.877 5.770 0 40 FKAB Cc1cc(O)c2c(c1)C[C@H]1[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 8615954 PAYRXRMDYUKQEC-FOCUCWDZSA-N 352.518 5.326 0 40 FKAB CCc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 9141287 XTYBCDYVOKKFMM-UHFFFAOYSA-N 358.466 5.778 0 40 FKAB Cc1cc(Cl)ccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11080677 WMEKWJZHEOHCKC-HXUWFJFHSA-N 370.905 5.028 0 40 FKAB O=C(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 12290545 NGNPHNWIFLLNLJ-KCZVDYSFSA-N 353.893 5.442 0 40 FKAB O=C(CCC1CCCCC1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12377359 PGZICMLLKZWLMQ-VRXIZKAYSA-N 373.540 5.760 0 40 FKAB O=C(CNc1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 12521938 ZIBKWQSPDMMNGV-UHFFFAOYSA-N 352.821 5.183 0 40 FKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)cc1 12910910 CTPKRSUQGFGWGN-UHFFFAOYSA-N 369.424 5.225 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258383 LODWOMSBEPFPFL-UHFFFAOYSA-N 357.759 5.398 0 40 FKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)oc2ccc(Cl)cc12 15833226 DZJUSLZUIPWROJ-VIFPVBQESA-N 360.866 5.228 0 40 FKAB CC(C)Oc1ccc(NCc2ccccc2OCCc2ccccc2)cc1 19738267 JBBPYRPSVGJFEJ-UHFFFAOYSA-N 361.485 5.707 0 40 FKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NC1CCCCCCC1 20050784 JNRYTFWSINRSNS-UHFFFAOYSA-N 360.350 5.456 0 40 FKAB Cc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 27525997 NWAOXVXDKHEHDZ-UHFFFAOYSA-N 360.888 6.373 0 40 FKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795299 TZEUCWZARXSWBS-UHFFFAOYSA-N 367.876 6.078 0 40 FKAB CCC(CC)C(=O)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 27913905 NIPBTSNJWUCWNZ-UHFFFAOYSA-N 374.506 6.052 0 40 FKAB CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)c3ccccc3)s2)c1 32779001 AAIZFPKTXCNRNN-LBPRGKRZSA-N 370.503 5.093 0 40 FKAB Cc1cccc(C)c1NC(=O)CCCSc1ncccc1C(F)(F)F 48331953 ZUIRFYWFKGPFCA-UHFFFAOYSA-N 368.424 5.228 0 40 FKAB C[C@@H]1CCCCN1C(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 59843078 ZVFXIHIXTCRSTI-CYBMUJFWSA-N 354.450 5.117 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(Br)cc2)c(Cl)c1 71761743 JIZOUTJDMPZNJQ-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB Cc1ccc(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)o1 89652370 KFKAYVLECZNKFY-NSHDSACASA-N 355.381 5.138 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(Oc2ccccn2)c1 96122670 XIOJPWPQJQQHKQ-UHFFFAOYSA-N 366.420 5.793 0 40 FKAB C[C@@]12CC3CC(C(=O)Nc4ccc(Cl)cc4Cl)(C1)C[C@@](C)(C3)C2 101042937 WUWGSZZXGHBSPV-GYLWBPJWSA-N 352.305 5.929 0 40 FKAB CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCCC2 223014416 NJWQXWKHNSSJHX-QZMUEMGWSA-N 353.893 5.500 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1cc2cc3ccccc3nc2s1 223133860 MEDFIAXZJCEPBF-UHFFFAOYSA-N 360.482 6.134 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223151875 YZEZLLUCRIWVIW-KGLIPLIRSA-N 359.922 5.187 0 40 FKAB CCc1ccc(CC)c(CNC(=O)CSCc2ccc(Cl)cc2)c1 223257621 GRPSYLFQQXVENW-UHFFFAOYSA-N 361.938 5.014 0 40 FKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccccc1OC 223330767 USODYAVECCHWAZ-OXJNMPFZSA-N 369.505 5.028 0 40 FKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 223684137 PCOBCIKMBGGPEC-SIKLNZKXSA-N 367.533 5.789 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OC 224435951 KGPUAMANUVUEEO-UHFFFAOYSA-N 355.478 5.388 0 40 FKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224438048 NHCSLRAAEYLUIO-FQEVSTJZSA-N 359.425 5.691 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(C)c1 225476283 SYQIVYZJUYYUAI-PXNSSMCTSA-N 369.505 5.162 0 40 FKAB CCCOc1ccccc1CCCNC(=S)Nc1ccccc1Cl 225624442 LEERNFJETAQZGW-UHFFFAOYSA-N 362.926 5.048 0 40 FKAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(Cl)c(Cl)c1 225646917 DHSGDOXSRCCXBR-UHFFFAOYSA-N 363.269 5.047 0 40 FKAB CCOc1cccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225765376 NEJFIDPGVGSDAX-HXUWFJFHSA-N 356.535 5.386 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2F)c1 228957923 WMGPNBISPMQYKD-UHFFFAOYSA-N 370.346 5.621 0 40 FKAB Cc1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408573957 GDUMGBYCCKIWLA-IZZDOVSWSA-N 371.524 6.115 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1 408629060 KMNIHRLSTHQSCV-CQSZACIVSA-N 373.294 5.080 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)COc2cccc3ccccc23)cc1 408629278 UPHGWCIUMHNZET-SFHVURJKSA-N 374.484 5.236 0 40 FKAB CCOc1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1 409121139 YPAOAKXQJINYIG-UHFFFAOYSA-N 351.421 5.416 0 40 FKAB CC(C)n1ccnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 514224251 ZUMPAQSIBLVOSH-MRXNPFEDSA-N 365.502 5.570 0 40 FKAB CC(C)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 976865 ARELVRSBZSKTJB-UHFFFAOYSA-N 373.909 5.248 0 40 FKAB O=C(/C=C/c1cccc(Br)c1)Nc1cccc(C(F)(F)F)c1 1000165 DWSNNYOSUHLUNI-BQYQJAHWSA-N 370.168 5.120 0 40 FKAB COc1ccc(C2=C(C)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC 1321739 CRUJUVBDNKOWQA-QHCPKHFHSA-N 358.437 5.659 0 40 FKAB biogenic O=S1(=O)CC[C@@H](Sc2c(Cl)cccc2Cl)c2ccsc21 1398517 CTSBGBNQFWWYQP-LLVKDONJSA-N 365.328 5.066 0 40 FKAB COc1cccc(-c2coc3cc4oc(=O)cc(-c5ccccc5)c4cc23)c1 2114938 TYSQJMUESKZBTP-UHFFFAOYSA-N 368.388 5.882 0 40 FKAB biogenic Cc1cccc(-n2ncc3c(Nc4ccc5ccccc5c4)ncnc32)c1 2313621 VXFNFUXMAJIYPR-UHFFFAOYSA-N 351.413 5.021 0 40 FKAB CC(=O)Nc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 3298149 BRJZJVXFKKEFGW-UHFFFAOYSA-N 361.426 5.109 0 40 FKAB CCCCn1c(NCc2ccc(Br)cc2)nc2ccccc21 3643107 MZGMVRBRTAJCGC-UHFFFAOYSA-N 358.283 5.211 0 40 FKAB c1ccc(C2(c3ccccc3)O[C@H](c3cccs3)Oc3ccccc32)cc1 4414428 NMTSQKVJWPBERV-HSZRJFAPSA-N 370.473 6.148 0 40 FKAB COc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC)cc3)N2C)cc1 4777734 LGWKVDLUCCAJJF-SZPZYZBQSA-N 367.533 5.122 0 40 FKAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 4980685 GWWNHPTXJAWKAF-ZUOKHONESA-N 354.885 5.170 0 40 FKAB Cn1c(C(=O)NCCc2ccc3oc4ccccc4c3c2)cc2ccccc21 6659261 XGJSOLUNAGFUSK-UHFFFAOYSA-N 368.436 5.050 0 40 FKAB CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2CC)cc1OC 7653234 FRYOLEYXGRIBHC-UHFFFAOYSA-N 361.869 5.261 0 40 FKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)cc1 9660008 IERKFGCCKXKFKO-UHFFFAOYSA-N 361.441 5.287 0 40 FKAB biogenic Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c(C)n(C)c3ccccc23)o1 9668893 QFZITZKZYBOHNJ-HSZRJFAPSA-N 370.452 5.134 0 40 FKAB COc1nc2ccc(Cl)cc2cc1Cc1ccc(Br)cc1 12534591 PEQDZEQIAMEPRP-UHFFFAOYSA-N 362.654 5.250 0 40 FKAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2c1 12864828 VBANLTKSTSHBNA-KBPBESRZSA-N 369.411 5.108 0 40 FKAB Cc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccsc2)cc1Cl 13656076 VEXXPDKOFFZALQ-CQSZACIVSA-N 357.866 5.328 0 40 FKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3cccc(F)c3)n2)cc1 17074863 AJLBNYFFEXESFW-UHFFFAOYSA-N 364.370 5.683 0 40 FKAB CC[C@H](C)Oc1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 19738612 RNCOUJHRLPXTMN-JTSKRJEESA-N 355.478 5.034 0 40 FKAB COc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 20460920 MYIPRURIHMEYKR-LWJGVMBGSA-N 357.453 5.113 0 40 FKAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)Cc1cccs1 24458971 TVAJDHJWBZMVJJ-UHFFFAOYSA-N 366.269 5.491 0 40 FKAB CCOC(=O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C 35623063 CUINMXUHRMLOPD-UHFFFAOYSA-N 354.431 5.164 0 40 FKAB COc1ccccc1-c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)no1 57994721 LHARVNJJKONHAY-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC(C)C)cn1 72214681 DULBAIIRTIPUFQ-SFHVURJKSA-N 361.530 5.026 0 40 FKAB Cc1cc(C)c2nc(-c3cc(Br)ccc3Cl)sc2c1 73635593 BJYBJYHHMRYUAS-UHFFFAOYSA-N 352.684 5.996 0 40 FKAB O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC[C@@H]1c1ccsc1 84445384 PQSHWLRGLMBKTJ-GFCCVEGCSA-N 364.879 5.095 0 40 FKAB O=C(c1cccc2ccccc12)N1CCC(CSCc2ccco2)CC1 85472412 DTSVOEQSYHYNRN-UHFFFAOYSA-N 365.498 5.218 0 40 FKAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 101217119 RNZIOCZUKBKLJP-UNMCSNQZSA-N 369.468 5.581 0 40 FKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCC=C[C@]4(C)[C@H]3CC[C@@]21C 118922847 MRKRQGONFROXPO-CJPSHIORSA-N 370.665 8.274 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C 222695843 HATSDMZBIYOJBA-INIZCTEOSA-N 361.938 5.707 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc2ccccc2c1 222796359 IDLRUDVEECWBOI-HSZRJFAPSA-N 369.464 5.467 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(F)cc1 222929601 AZEJKEUGUYFYPB-NRFANRHFSA-N 371.496 5.030 0 40 FKAB O=C(O)[C@H](Cc1cccc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 225059038 BYSGSLMSWOUEEF-FQEVSTJZSA-N 352.817 5.082 0 40 FKAB Cc1cc(C)cc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225301588 XVTMBXMEUWRQMZ-UHFFFAOYSA-N 364.967 5.177 0 40 FKAB O=C(c1ccc(-c2ccsc2)cc1)N1CCC(c2cccs2)CC1 225622495 LWXHLUSPQNDTBI-UHFFFAOYSA-N 353.512 5.496 0 40 FKAB CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225694857 GJXAVZXITXJITC-HSZRJFAPSA-N 369.505 5.416 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408566967 JKNFZTUUJQKGDW-DHZHZOJOSA-N 373.880 5.488 0 40 FKAB COc1cccc(Oc2ccc(C(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 408600251 ASPUSJDCAIDWAQ-UHFFFAOYSA-N 373.235 6.025 0 40 FKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2c(ccc3ccccc32)o1 408617159 IAPPKJKDMXQJLY-UHFFFAOYSA-N 355.315 5.857 0 40 FKAB CCCc1sc(Nc2ccc(F)cc2)nc1-c1ccc(OC)c(OC)c1 408757474 XQBNFLFXDWIPQT-UHFFFAOYSA-N 372.465 5.663 0 40 FKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(Cl)cc1 409114559 IHURPFDPLXKRSF-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB Cc1c(Cl)cccc1NCc1cccc(OCc2cccc(Cl)c2)c1 409116049 NXVHJMYXHDKQDA-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB c1ccc(COc2ccc3ccccc3c2-c2nc3ccccc3s2)cc1 409192426 CIVPIMNPCARONJ-UHFFFAOYSA-N 367.473 6.696 0 40 FKAB COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1OC 843743 SDULCAFJIMGOQE-UHFFFAOYSA-N 356.425 5.428 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)c(C)c1 856118 NLNQHKAHNXAURE-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB O=Cc1ccc(OC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 911159 RAESBAUWDAZTHZ-UHFFFAOYSA-N 351.210 5.240 0 40 FKAB O=C(Nc1ccccc1-c1ccccc1)c1ccccc1Oc1ccccc1 2654486 ULHQNQKUNRUVDL-UHFFFAOYSA-N 365.432 6.398 0 40 FKAB CSc1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2Cl)c1 3409856 FUHBIAZERCWOJG-UHFFFAOYSA-N 374.720 5.341 0 40 FKAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1OC 4425859 PXSOSFINSXGGIW-QFIPXVFZSA-N 372.468 5.368 0 40 FKAB CC(C)(C)c1ccc(S[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 4648756 RDKBHFSHTVXDHU-NHCUHLMSSA-N 367.558 5.817 0 40 FKAB CCCCC/C=C/C/C=C/CCCCCCCC1=NC(C)(C)CN1C(C)C 4683553 FJQBQHDALVQQQD-IWCZYTNJSA-N 374.657 7.701 0 40 FKAB Cc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1Cl 4689074 NNMZMGOFVGQPBC-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)cc1C 4969898 OAJRTQABJOMVKC-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB Oc1cc(OC2CCCCC2)ccc1-c1csc(-c2ccccc2)n1 5604589 XAMMKBAFAQNDHW-UHFFFAOYSA-N 351.471 5.894 0 40 FKAB O=C(O[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1 5682240 FFBGIFBVWIAEIA-GOTSBHOMSA-N 363.501 5.034 0 40 FKAB O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1ccc(F)cc1 5705071 LIPZVCMMXVVMIA-VGOFMYFVSA-N 358.372 5.390 0 40 FKAB aggregator Cc1cc(-c2csc(Cc3nc4ccccc4n3C)n2)c(C)n1C1CC1 7119351 GESRDFBJPXKQLG-UHFFFAOYSA-N 362.502 5.041 0 40 FKAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 7699835 SQDIKMWDMXZNKG-MRXNPFEDSA-N 365.860 5.410 0 40 FKAB Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C2CC2)cc1 10351489 DRELNXFERBLPRW-YWZLYKJASA-N 356.897 5.025 0 40 FKAB Oc1c(-c2ccccc2)sc2nc(-c3ccccc3)c3ccccc3[n+]12 12138905 NHMRPLCMDQBNSJ-UHFFFAOYSA-O 355.442 5.075 0 40 FKAB Clc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)c(Cl)c1 12622356 FSJZDKSAAFUTJL-UHFFFAOYSA-N 367.279 5.982 0 40 FKAB O=C(OCc1ccc(Cl)cc1)/C(=C/c1cccs1)c1cccs1 12692057 HGDZGOCWJBFJAL-LFIBNONCSA-N 360.887 5.747 0 40 FKAB Cc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccccc4[C@H]3C2)o1 13688120 HKTXXPVZRAWXCN-QPPBQGQZSA-N 372.468 5.954 0 40 FKAB CCn1c(SCc2cccc(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 13849870 HWVVFQPXMNSVLK-CQSZACIVSA-N 373.909 5.384 0 40 FKAB S=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1Cl 16306986 OIJUMTZGVZMFIW-UHFFFAOYSA-N 350.874 5.720 0 40 FKAB CCc1ccccc1-n1nc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 17074216 SJFYBBOVVBKYEB-UHFFFAOYSA-N 360.407 6.047 0 40 FKAB C[C@@H]1O[P@](=O)(Nc2cc(Cl)ccc2Cl)O[C@@H]2CCCC[C@@H]12 17289448 UARSWUVSJHAZAE-IOWMXKFDSA-N 350.182 5.508 0 40 FKAB CC(C)c1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 19453200 GBXQLPKBKXHXJW-UHFFFAOYSA-N 367.518 5.301 0 40 FKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20110648 BMMRYQHIZBKUND-IBGZPJMESA-N 365.498 5.748 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 20492831 BNSUTILZPLOQKY-IBGZPJMESA-N 359.469 5.373 0 40 FKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(F)cc1Br 24454818 GWZYMMGBPAHUHV-SNVBAGLBSA-N 370.649 5.075 0 40 FKAB Clc1cccc(-c2nc(CSC3=Nc4ccccc4CS3)co2)c1 26112980 RGJPQXOJRHNYIT-UHFFFAOYSA-N 372.902 6.163 0 40 FKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccco3)c3ccccn3)oc2c1 28287794 KQLRNGSVBRUIFP-UHFFFAOYSA-N 360.413 5.193 0 40 FKAB CCN(CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccc(C(C)(C)C)cc1 28290548 XUHRCQWYNGMHFR-JOCHJYFZSA-N 366.549 5.105 0 40 FKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccccc4C)no3)nn2)cc1 33262439 GVXRQXBEPVQPAA-UHFFFAOYSA-N 374.469 5.103 0 40 FKAB Cc1ccc(SCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 33758511 QGACCLZHROVMHK-UHFFFAOYSA-N 367.901 6.193 0 40 FKAB Cc1ccc(C)c(Cn2cnc3c(-c4ccccc4C)csc3c2=O)c1 44166965 KOAAHGUFJOFELP-UHFFFAOYSA-N 360.482 5.099 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 57316751 UTYKQWJFHWSLFP-LLVKDONJSA-N 362.351 5.509 0 40 FKAB COc1ccc2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57353006 QPOYDHKVUVWELX-UHFFFAOYSA-N 373.437 5.857 0 40 FKAB Cc1ccccc1O[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 59267348 HRXHZHIFKHNLHA-LLVKDONJSA-N 357.759 5.073 0 40 FKAB C[C@@H](NCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100744610 GUYRJBUAYYRZRL-OIBXWCBGSA-N 351.534 5.716 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 107039580 BLWKXIIXNDVJRO-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 118915120 ZULBOIQTAAUGKN-FMASACEBSA-N 374.565 5.510 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 223923689 GOYXBGJRKLSWPB-GOSISDBHSA-N 353.506 5.023 0 40 FKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224448730 YWYMODBJKVWBAS-IBGZPJMESA-N 363.388 5.521 0 40 FKAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225466435 UHTWXODWNZKSRU-OAHLLOKOSA-N 370.518 5.064 0 40 FKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225705855 PPZPZRJVJZELKW-IBGZPJMESA-N 355.906 5.443 0 40 FKAB Cc1ccc(SCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 408562903 GOAWFUBNGREONP-UHFFFAOYSA-N 361.510 5.383 0 40 FKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1Cl 643409 QJQRRYWELURSBG-UHFFFAOYSA-N 374.918 5.503 0 40 FKAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)CCC3 944669 BHAHSINNKOZPQZ-UHFFFAOYSA-N 374.918 5.117 0 40 FKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1 1085570 LPOGKGYHDDPNLA-UHFFFAOYSA-N 353.874 5.885 0 40 FKAB CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@H](CC)C2 1102547 TVBGJYKRIPHCFS-CQSZACIVSA-N 371.502 5.000 0 40 FKAB Cc1oc2ccc(OC(=O)c3ccccc3Cl)cc2c1C(=O)OC(C)C 1447852 ASIMLHBUJITYEV-UHFFFAOYSA-N 372.804 5.179 0 40 FKAB biogenic CC(C)Oc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 1765358 QSEPBBQVDLAYGZ-UHFFFAOYSA-N 372.424 5.582 0 40 FKAB CN(C)CCC[C@@]1(c2ccccc2)SC(C)(C)c2ccc(Cl)cc21 2035069 GTGALXALPOFVHS-NRFANRHFSA-N 359.966 5.907 0 40 FKAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1 2750114 RSCWMEVTHSRYCI-UHFFFAOYSA-N 366.486 5.414 0 40 FKAB CCOP(=O)(OCC)[C@@](C)(CC)Nc1ccc(Cl)c(Cl)c1 3154447 UNIFSARPSLSTCQ-AWEZNQCLSA-N 354.214 5.798 0 40 FKAB O=P1(NCc2ccco2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3198603 HEVMPCZKZWQSFY-UHFFFAOYSA-N 363.353 5.675 0 40 FKAB Clc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 4161542 UMXSBNCYZQQNRP-UHFFFAOYSA-N 371.676 5.989 0 40 FKAB Cc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 5214093 VVHGNHYRTPXDGV-NVNXTCNLSA-N 364.253 5.543 0 40 FKAB CCOc1ccc(C(C)=O)cc1CSc1ncnc2sc(C)c(C)c12 6113152 PXERKULPMYEIIC-UHFFFAOYSA-N 372.515 5.202 0 40 FKAB CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 6313320 CMPYMYWMGAQADD-UHFFFAOYSA-N 367.832 5.018 0 40 FKAB Cc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2n1-c1ccccc1 8161723 BHCJFFXHBRZXCN-UHFFFAOYSA-N 367.408 5.332 0 40 FKAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 10445544 DXMOBXAOKXBFPH-UHFFFAOYSA-N 373.408 5.323 0 40 FKAB O=C(OCc1ncc(-c2ccccc2)o1)C1(c2ccc(Cl)cc2)CCC1 11387393 OVUKAZOPBCTYOC-UHFFFAOYSA-N 367.832 5.160 0 40 FKAB FC(F)c1cc([C@@H]2CN(CC3CCCCC3)C[C@H]2c2ccccc2)n[nH]1 12129066 KWSDWJBHWDTUQH-ZWKOTPCHSA-N 359.464 5.111 0 40 FKAB Cc1ccc(-c2nnc(CSc3ccnc4cc(Cl)ccc34)o2)o1 12462517 ARNCETILADYOQC-UHFFFAOYSA-N 357.822 5.132 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3ccco3)c2C1)CC[C@H](C)C4 12610185 QVYMBIMOWWZZOU-UONOGXRCSA-N 351.515 6.196 0 40 FKAB Cc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c(C)c1 13810412 SITHMOVLUSCACU-BYNSBNAKSA-N 352.305 5.098 0 40 FKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccccc2Cl)cc1 22072416 JWOHFQQYVZDVTM-UHFFFAOYSA-N 365.864 5.854 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1Cl 22530550 MIDJTAZDRXKFSO-IBGZPJMESA-N 374.267 5.943 0 40 FKAB Cc1cc(C)c(Nc2nnc(SCc3cccnc3)s2)c(Cl)c1 27814282 FBXSVAHYCMVUKJ-UHFFFAOYSA-N 362.911 5.239 0 40 FKAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2cccnc2)nc2ccccc12 32646494 JPKMSAOPZULIAO-UHFFFAOYSA-N 364.408 5.030 0 40 FKAB Fc1ccc(CN[C@H](c2ccc3c(c2)CCC3)c2cccs2)c(F)c1 32845182 WLGMCRKDYDZHPO-OAQYLSRUSA-N 355.453 5.394 0 40 FKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(F)cc1 33652618 TWYZOCFOYYKDLN-FQEVSTJZSA-N 368.791 5.260 0 40 FKAB Cc1ccccc1[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 38752737 OJVWZLINFZTUIJ-HSZRJFAPSA-N 357.497 5.812 0 40 FKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C 218987851 MWHVCZWXXXXACJ-IBGZPJMESA-N 359.469 5.373 0 40 FKAB Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 219857869 UPEICYDBZLGRLW-UHFFFAOYSA-N 363.288 5.157 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1 225061185 ZMKNSJZTYZEZCW-FQEVSTJZSA-N 352.817 5.082 0 40 FKAB CCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225621009 WXHCWFUUYZJOTE-HSZRJFAPSA-N 369.505 5.416 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)n1 225862824 FGTNFTPVJKYPAQ-UHFFFAOYSA-N 372.896 5.283 0 40 FKAB Cc1cccc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)oc12 226044070 WVBMIQNUVWZCJA-UHFFFAOYSA-N 357.409 5.573 0 40 FKAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1Cl)N2 226333544 MSLRJSCPYNQFKI-NQJLJZTISA-N 353.849 5.335 0 40 FKAB Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 408831156 OUTGBNJMWRMGOV-UHFFFAOYSA-N 350.245 5.212 0 40 FKAB OC1=NC(=S)S/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 1260255 SULFIKDZDGQWBD-SDQBBNPISA-N 356.255 5.583 0 40 FKAB CC(C)(Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2273253 DDVVQVMGLBIAEF-OAHLLOKOSA-N 354.302 5.457 0 40 FKAB O=C(Nc1ccccc1)N(Cc1ccccc1)c1nc2ccccc2s1 2455305 QZBOVIQYHULBBW-UHFFFAOYSA-N 359.454 5.535 0 40 FKAB O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)c1ccc(Cl)cc1Cl 3165817 XTHOLULPJKNCNL-PXAZEXFGSA-N 352.261 5.118 0 40 FKAB CC[C@H](C)NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3178174 KCTCJMNSLAPMOR-INIZCTEOSA-N 355.443 6.397 0 40 FKAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 3264086 YTVFAPQKKNGBEQ-UHFFFAOYSA-N 370.477 6.038 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1Br 3552076 FPWGLLREERTOTG-UHFFFAOYSA-N 362.267 5.008 0 40 FKAB Fc1cccc2sc(Nc3nc(-c4ccc(Cl)s4)cs3)nc12 4137671 LAHKACHHQPQUDO-UHFFFAOYSA-N 367.883 6.017 0 40 FKAB CCc1cc2ccccc2nc1SCC(=O)Nc1c(C)cccc1C 4849208 QOBPBTQROHOOOE-UHFFFAOYSA-N 350.487 5.145 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccccc23)cc1 4970020 FDBPPJMXMXQQJZ-UHFFFAOYSA-N 363.464 6.166 0 40 FKAB CC[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 5901276 PFCCXWOYRUCPOX-OAHLLOKOSA-N 357.457 5.220 0 40 FKAB biogenic CCC[C@@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 7003021 MKNACGOTWMNWRG-JOCHJYFZSA-N 351.469 5.259 0 40 FKAB C[C@H](NCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 8534225 AJQZKUYFBDKVRC-FQEVSTJZSA-N 367.492 6.270 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc2[nH]cnc2c1 8718774 SOIMHAURHHIBCT-UHFFFAOYSA-N 370.437 5.092 0 40 FKAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1C(F)(F)F 11618723 LQCSRGVFDVVRQG-UHFFFAOYSA-N 370.374 5.423 0 40 FKAB CCCc1ccc(N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 12543918 FTSQUGCIRNQQDQ-GFCCVEGCSA-N 351.277 5.385 0 40 FKAB O=C(OCc1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12546951 RMSJIDZFCWQPPS-UHFFFAOYSA-N 374.827 5.307 0 40 FKAB Cc1ccc(Sc2ccc(NC(=O)Cc3cccc(F)c3)cc2)c(C)c1 12585868 HSAYDXCTAIIDMN-UHFFFAOYSA-N 365.473 5.775 0 40 FKAB COC[C@H](C)n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1 12618971 JHYYKJYKNUHWRI-LCIOQVQZSA-N 364.923 5.371 0 40 FKAB Fc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1Cl 13689281 SIXIYBWXVYRDRP-UHFFFAOYSA-N 370.796 5.059 0 40 FKAB O[C@]12CCCC[C@H]1[C@@H](c1ccc(F)cc1)N(C/C=C/c1ccccc1)CC2 13769944 WJIDANGHKXCJLA-JXOCAGRKSA-N 365.492 5.207 0 40 FKAB C/C=C/CSc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 15554213 OTXPXGZGTFVOGC-SNAWJCMRSA-N 350.487 5.177 0 40 FKAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20137659 KBDHPHINAGYQCF-UHFFFAOYSA-N 366.244 5.241 0 40 FKAB O=C1C[C@@H](c2ccc(Cl)cc2)c2snc(-c3cccc(F)c3)c2N1 35324499 RUSASLBXFXPRNC-AWEZNQCLSA-N 358.825 5.077 0 40 FKAB Cc1cccc(-c2csc3c(=O)n(Cc4ccc(C)cc4C)cnc23)c1 44166760 DXPZIMGRKFEFND-UHFFFAOYSA-N 360.482 5.099 0 40 FKAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CCc2c(Cl)cccc21 65747518 ZAKIXZSSMDXHIQ-NRFANRHFSA-N 364.876 5.071 0 40 FKAB Clc1ccccc1-c1csc(Nc2ccc(Br)cc2)n1 67321779 KFDKYWFLLOAWRN-UHFFFAOYSA-N 365.683 5.970 0 40 FKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3O)nc2c1 70462056 ZNFITKMQHPEJLT-UHFFFAOYSA-N 352.434 5.308 0 40 FKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72214977 NRSXOTMCVAQGOU-SFHVURJKSA-N 361.530 5.169 0 40 FKAB CCCCOc1cccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)c1 72229460 BGAJQDYYAJPIKO-UHFFFAOYSA-N 353.249 5.007 0 40 FKAB CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118931869 LMGRIFIYAJHRKP-NMQWMWRVSA-N 358.610 7.041 0 40 FKAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 225362152 OFSCYBAXWCFXPU-RUZDIDTESA-N 373.496 5.150 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccc(Cl)cc1 225376758 POUAQJLYQAYFON-UHFFFAOYSA-N 370.707 5.328 0 40 FKAB CCOc1ccccc1NC(=S)N[C@H](CC(C)C)c1ccc(OC)cc1 225497728 OERLIFAZJRCOAA-LJQANCHMSA-N 372.534 5.168 0 40 FKAB Fc1cccc(F)c1NC(=S)NCCCc1cccc2ccccc12 225808842 PXODCYKQEFDHPO-UHFFFAOYSA-N 356.441 5.037 0 40 FKAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCC[C@H](C)C1 225810002 VDFWQDLNRKXSTQ-KSFYIVLOSA-N 355.478 5.161 0 40 FKAB CCCOc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl 408585449 DWXMXFWFXPZHIL-UHFFFAOYSA-N 358.652 5.688 0 40 FKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1 408629059 KMNIHRLSTHQSCV-AWEZNQCLSA-N 373.294 5.080 0 40 FKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1cccc(F)c1 409114454 HLYYZTLKJYXSNW-UHFFFAOYSA-N 365.448 5.724 0 40 FKAB Cc1ccccc1C[C@@]1(C)CCc2cc(-c3ccc(C(=O)O)cc3)ccc2O1 585265859 SOKZDVIEIVDOCQ-RUZDIDTESA-N 372.464 5.687 0 40 FKAB CC1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 903715 GGJOUERPEMZCOT-UHFFFAOYSA-N 359.922 5.504 0 40 FKAB Cc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c(C(C)(C)C)c1 951472 LJIVLHZFYHNREL-UHFFFAOYSA-N 368.502 5.228 0 40 FKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Cl)c1 1064307 UIEROXIDAHVXMZ-RABUFTMVSA-N 373.883 5.822 0 40 FKAB CC(C)c1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1 1505469 HCQLQIIYGSSZLB-UHFFFAOYSA-N 372.493 6.339 0 40 FKAB CCC(CC)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 2363067 VBIOYUDJOYPCCT-UHFFFAOYSA-N 363.573 6.224 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1C 2961488 KCKANTPYIQREQP-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 3243441 YTEZSLKJBXSBOP-FQEVSTJZSA-N 350.801 5.121 0 40 FKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(SC(F)F)cc1 3304714 YUWZHBHGINHEMX-UHFFFAOYSA-N 362.228 5.489 0 40 FKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1nc2ccccc2s1 4134684 GOCWCRRVCFSOGP-UHFFFAOYSA-N 371.421 5.357 0 40 FKAB CCCCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 4184726 XSABLDVNWXMEQG-UHFFFAOYSA-N 356.853 5.975 0 40 FKAB Cc1ccc(-c2cs/c(=N\c3ccc(C)cc3C)n2C(C)(C)C)cc1 4619310 MAUSPCNOZSFCBN-LNVKXUELSA-N 350.531 6.129 0 40 FKAB N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(Cl)cc1 4772808 MYIJKJILLVBCII-UHFFFAOYSA-N 367.619 5.125 0 40 FKAB Cc1ccc(NC(=O)CCCCCCCCCC[C@@H]2CCCO2)c(C)c1 4812221 RGGVLVLKEUBHJE-OAQYLSRUSA-N 359.554 6.322 0 40 FKAB CC(C)c1ccccc1NC(=S)N(C)Cc1ccc(OC(F)F)cc1 9368772 SHEDYGWIINGFHD-UHFFFAOYSA-N 364.461 5.240 0 40 FKAB Cc1ccc(C)c(NCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)c1 13573957 RDVPODALQRXCEU-YVLHZVERSA-N 372.877 5.063 0 40 FKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 16346644 LBVMLIIAJBIKLD-ZRDIBKRKSA-N 367.832 5.569 0 40 FKAB C[C@H](CCCN(C)Cc1ccccc1)Nc1ccnc2cc(Cl)ccc12 16955396 WWYGIZAIIQNKMF-QGZVFWFLSA-N 367.924 5.601 0 40 FKAB O=C(Nc1cccnc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 20429031 CWQFTNDAIYJAMN-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(C2CC2)nc2ccccc12 23786037 XQFIIUAHEJJOSK-UHFFFAOYSA-N 368.839 5.177 0 40 FKAB COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1 25765251 SBZBEEHRUOEPSO-UHFFFAOYSA-N 361.228 5.111 0 40 FKAB O=C(CSc1nc2ccccc2o1)Nc1ccc2oc3ccccc3c2c1 32109769 XBXLWJVCGLGMGU-UHFFFAOYSA-N 374.421 5.458 0 40 FKAB Cc1cc(Nc2ccc(F)cc2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217012 XCBJBCPCQNABFO-UHFFFAOYSA-N 366.827 5.549 0 40 FKAB Cc1cc2oc(C(=O)Nc3ccc(C(C)C)c(C)c3)cc(=O)c2cc1Cl 72427558 NPMWAPMCHZHGEJ-UHFFFAOYSA-N 369.848 5.439 0 40 FKAB CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1 102732016 MDGGSVYMSXMPHL-QGZVFWFLSA-N 354.475 5.555 0 40 FKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(F)cc2)cc1 106983536 CLQWBJKQOOHCRA-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB O=C(c1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccccc2)CC1 211141927 PPNWNUFHNVOASM-KRWDZBQOSA-N 365.420 5.026 0 40 FKAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC)c(C)c1 224460898 KOJNKGAPZAEWKE-HXUWFJFHSA-N 369.505 5.082 0 40 FKAB CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1C 224574537 TWZBIBGIUHKZHU-XMMPIXPASA-N 373.496 5.530 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccccc2Cl)ccc1OCC 224726170 LMPSTUJDJGVGOR-UHFFFAOYSA-N 361.869 5.308 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c(C)c1 225264142 LIAHTKHXUINNEI-UHFFFAOYSA-N 369.468 5.716 0 40 FKAB CCOC1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCC(C)CC1 225721551 QBACTLBYHZKZDF-GXPWMBGSSA-N 361.526 5.405 0 40 FKAB Cc1cccc(C2(NC(=S)Nc3ccc(C(C)C)cc3)CCCC2)c1 225843434 DXCMLNUMYJBEOU-UHFFFAOYSA-N 352.547 5.874 0 40 FKAB CCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225866571 JXOCPWBVMUBDDF-UHFFFAOYSA-N 366.505 5.328 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 2069855 CSICQPKGKDHTOE-SFHVURJKSA-N 366.505 5.711 0 40 FKAB COC(=O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 2267817 HLCJPKIVAPGXAV-UHFFFAOYSA-N 369.464 5.847 0 40 FKAB Cc1cc(C)c2nc(S[C@@H](C)C(=O)N(C)c3ccccc3)cc(C)c2c1 2663195 KYSCOEDYFPVLKZ-KRWDZBQOSA-N 364.514 5.304 0 40 FKAB COc1cc(C(=O)Oc2ccc3c(c2)CCC3)cc(Cl)c1OCC(C)C 3324353 SCIKSJIEEHJQJB-UHFFFAOYSA-N 374.864 5.091 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 3368256 ZHZVZGDRGHJZEV-ZDUSSCGKSA-N 366.288 5.831 0 40 FKAB CCOCc1c(C(=O)Nc2nc3ccc(C)cc3s2)oc2ccccc12 3435728 KLIHQDVWFOCTJK-UHFFFAOYSA-N 366.442 5.140 0 40 FKAB Cc1ccc(Nc2c(-c3c(F)cccc3Cl)nc3cccc(C)n23)cc1 3911621 ZUGFDOPBNGTXEZ-UHFFFAOYSA-N 365.839 6.154 0 40 FKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 4503176 CPKNMMCRTQKUKR-UHFFFAOYSA-N 372.855 6.116 0 40 FKAB CCCCCn1cc(C(=O)C(=O)Nc2c(C)cccc2C)c2ccccc21 4653549 JNDIQZROVUKBDK-UHFFFAOYSA-N 362.473 5.270 0 40 FKAB CCCCCCc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O 5235566 VLJKQLBJMICEBW-UHFFFAOYSA-N 354.490 6.576 0 40 FKAB CCCCCC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl 5645613 MSYMGOYHEJMCIM-UHFFFAOYSA-N 356.853 5.975 0 40 FKAB COc1cccc2c1Oc1nc(-c3ccc(C(C)C)cc3)nc(S)c1C2 5862745 QXXGVSQRMDDZHY-UHFFFAOYSA-N 364.470 5.261 0 40 FKAB Cc1cc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(C)o1 5992141 CKCXEUSNTCADRI-UHFFFAOYSA-N 373.408 5.084 0 40 FKAB CC(C)c1ccccc1NC(=S)NCCc1ccc(Cl)cc1Cl 6541242 BLOFBGUOBZCGBF-UHFFFAOYSA-N 367.345 5.646 0 40 FKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)nc2c1 6554899 MBDDAKHPKNXBRT-CYBMUJFWSA-N 370.880 6.256 0 40 FKAB CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 6620698 RVGLYFJVKNEISU-UHFFFAOYSA-N 350.274 5.353 0 40 FKAB Cc1ccc(Cl)c(NC(=O)CNc2ccc3ccccc3c2)c1Cl 6784496 IJWWKMRCSFLZBA-UHFFFAOYSA-N 359.256 5.506 0 40 FKAB CC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@H]1c1ccccc1 9698438 SFMMGGUZCYIHIO-LJQANCHMSA-N 359.454 5.098 0 40 FKAB COc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)cc(Cl)c1OC(C)C 11214386 GFQWWMKCLQAUIF-LJQANCHMSA-N 373.880 5.017 0 40 FKAB Cc1c(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc2c1C(=O)O 11690121 PHCZQUNFVDSOKJ-UHFFFAOYSA-N 365.335 5.447 0 40 FKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 12360375 UFQISGODMCVDRI-XWOWWNTKSA-N 374.311 5.634 0 40 FKAB CCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 12637230 LFDQZQXFJOZTSS-GOSISDBHSA-N 361.489 5.055 0 40 FKAB CC[C@H](NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccc(Cl)cc1 12914891 FOIFOLYZXBPFLL-HNNXBMFYSA-N 373.909 5.151 0 40 FKAB CCCCc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 13687298 NPNNJVMAAZUJMM-UHFFFAOYSA-N 359.469 5.861 0 40 FKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 13710612 MHDCVKZCKBJGNU-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB O=C(O)c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 23425400 GCIXRJJXHZPDFP-ZZXKWVIFSA-N 360.196 5.116 0 40 FKAB Cc1cc(NC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)no1 32841228 RCSZCXKXNHQIOT-SFHVURJKSA-N 355.463 5.079 0 40 FKAB CC[C@H](C)CO[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@H](C)CC 35099552 BSQWVXZDAUXJLE-MSYCTHLASA-N 364.533 6.235 0 40 FKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 35671919 WFIYWNPMDQQFDZ-UHFFFAOYSA-N 360.335 5.230 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 44845676 MKITZTYTVFAZJX-ROUUACIJSA-N 367.533 5.752 0 40 FKAB CCn1c(C)cc(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1C 58514472 AYZHXZYVSTZSHO-UHFFFAOYSA-N 371.531 5.293 0 40 FKAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)C12CC3CC(CC(C3)C1)C2 61056408 YFJUICHDQPDYTE-UHFFFAOYSA-N 371.484 5.156 0 40 FKAB O=C(OCc1ccno1)c1ccccc1Oc1ccc(Cl)cc1Cl 65674085 KGJQZSFWXKZJGT-UHFFFAOYSA-N 364.184 5.131 0 40 FKAB C[C@H](Oc1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 75609903 KCDCZPSALNMUFM-JTQLQIEISA-N 352.287 5.035 0 40 FKAB CCc1ccccc1NC(=O)NCc1sc(-c2ccccc2F)nc1C 85471000 XBVBVTZPDSWNHA-UHFFFAOYSA-N 369.465 5.142 0 40 FKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(C)C 222920255 DRWTXVWOKGZLEM-NRFANRHFSA-N 353.506 5.904 0 40 FKAB Cc1nc(-c2cccc(NC(=S)N[C@@H](C)c3ccccc3)c2)cs1 225180023 LMLGQCBNCJSBOB-ZDUSSCGKSA-N 353.516 5.166 0 40 FKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225804233 JWZCPLKMONGNLN-INIZCTEOSA-N 351.490 5.096 0 40 FKAB Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1-c1ccc(C(=O)O)o1 226355918 OGMMEZGNCAYCPB-UHFFFAOYSA-N 363.413 5.329 0 40 FKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1C 244975111 ICBRNUDYFZOGKA-UNMCSNQZSA-N 360.482 5.607 0 40 FKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl 840267 ZQAQDOSESHSOIY-RABUFTMVSA-N 373.883 5.822 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(-c3ccncc3)n2-c2ccccc2)cc1 976623 RXIDNYDFTMWECK-UHFFFAOYSA-N 354.457 5.294 0 40 FKAB CCCC[C@@H](CC)CNP(=O)(Oc1ccccc1)Oc1ccccc1 1675286 PYXAOGFFDJUJLS-GOSISDBHSA-N 361.422 6.059 0 40 FKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OC)c1C 2317437 CYJBBEQTPODHFZ-UHFFFAOYSA-N 370.452 5.736 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2cccnc2)cc1 3350754 ZXEHHWJOIJFHHX-UHFFFAOYSA-N 362.502 5.437 0 40 FKAB O=C(CCCSc1ccccc1)NC(c1ccccc1)c1ccccc1 3353982 OAOPXINFEVDZHM-UHFFFAOYSA-N 361.510 5.465 0 40 FKAB O=C(c1ccco1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 3655978 KWVFTAGPDZUASO-UHFFFAOYSA-N 353.780 5.306 0 40 FKAB Cc1ccc2nc(-c3ccccc3F)c(Nc3ccc(Cl)cc3)n2c1 3909949 IBQXIWQTSPKKNX-UHFFFAOYSA-N 351.812 5.846 0 40 FKAB CCOc1cccc2sc(Nc3nc4ccc(OC)cc4s3)nc12 4137654 CEOJRWZBBLBTSE-UHFFFAOYSA-N 357.460 5.057 0 40 FKAB CC1(C)[C@H]2CC[C@@H](CCOC(=O)COc3ccc(Cl)cc3Cl)[C@@H]1C2 4416320 MMNWATKUJSJOBZ-YDHLFZDLSA-N 371.304 5.378 0 40 FKAB Clc1ccc(-c2nc(Nc3ccccc3)c3oc4ccccc4c3n2)cc1 5157428 WVVNHCXWWKNBMU-UHFFFAOYSA-N 371.827 6.440 0 40 FKAB CCc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 5464146 QOVTZSHVIZDOLE-UHFFFAOYSA-N 354.302 5.428 0 40 FKAB O=C(OCc1nc2ccccc2s1)c1c2c(nc3ccccc13)CCCC2 5781904 OHKLQAMJTDOIPN-UHFFFAOYSA-N 374.465 5.080 0 40 FKAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 6221180 HYSXIOXNCRAMOM-MDWZMJQESA-N 367.807 5.923 0 40 FKAB COc1ccc(CSC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 6411231 SLMXZXUEIITJBN-UHFFFAOYSA-N 357.422 5.344 0 40 FKAB C[C@H]1CCc2c(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)csc2C1 6558395 BWJYLVYHUXWXDZ-NSHDSACASA-N 372.490 5.388 0 40 FKAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(C(C)(C)C)cc1 6936714 BMXZPSNHZJZUMR-HNNXBMFYSA-N 356.535 5.430 0 40 FKAB COc1cc(/C=C/c2nc3cc(Cl)ccc3s2)cc(OC)c1OC 7717289 HTTFYWKERBRVDV-QPJJXVBHSA-N 361.850 5.146 0 40 FKAB Clc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)c(Cl)c1 8436460 ZSJPVYMZHRUHGA-IBGZPJMESA-N 374.292 6.944 0 40 FKAB CCCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 9065862 VMIQFFFRAKCHLJ-QFIPXVFZSA-N 368.546 5.333 0 40 FKAB CN(Cc1ccccc1Cl)c1ncnc2sc3c(c12)CCCCC3 13096390 OTXQXEWNKCVJOE-UHFFFAOYSA-N 357.910 5.250 0 40 FKAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2-c2ccccc2)cc1 13563216 WSOOFVQQOJRHLQ-GHVJWSGMSA-N 358.466 5.447 0 40 FKAB Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1Cl 20156816 VKKGTTCJPNXERH-UHFFFAOYSA-N 350.643 5.836 0 40 FKAB COc1ccc(C)cc1NC(=O)c1ccc(CSc2ccccc2)cc1 20238834 ZOYBPWUOJMWESQ-UHFFFAOYSA-N 363.482 5.548 0 40 FKAB CN(Cc1ccsc1)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 35400258 ATYBVWIFXJCLQM-OAQYLSRUSA-N 360.482 5.285 0 40 FKAB CC1CCN(c2nc3ccccc3nc2Oc2ccccc2Cl)CC1 45900745 ZHMDFZRHRYAPDQ-UHFFFAOYSA-N 353.853 5.312 0 40 FKAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72358012 HAEMCIURKMOPQJ-NRFANRHFSA-N 368.908 5.180 0 40 FKAB Cc1ccc(F)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 98073339 LPUXTBLWOUPSPS-INIZCTEOSA-N 361.416 5.107 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1NC(=O)C(F)(F)F 100846037 LCBKQVBEBWMNFK-AGCBMJJTSA-N 371.830 5.325 0 40 FKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 106960781 QFPUFNDZBTVMHL-UHFFFAOYSA-N 367.876 5.848 0 40 FKAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](Cc4ccccc4)CC[C@]3(C)[C@H]1CC2 118915204 UYEUVWXDRDBSDY-JXFGHYCFSA-N 350.590 7.278 0 40 FKAB biogenic O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 201402678 DDVQBMJWMYCZHI-UHFFFAOYSA-N 363.071 5.872 0 40 FKAB Cc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc(C)c1Cl 218924238 PJCJDYMFQLNEIX-UHFFFAOYSA-N 373.880 5.296 0 40 FKAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 222901817 IOCUCRKMDOOFAP-MARXPDLDSA-N 374.311 5.763 0 40 FKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2)cc1C(C)C 223267729 ZMJSRFCEBBLURI-KRWDZBQOSA-N 371.546 5.238 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924701 MOOBFSNXWVMYBH-QHCPKHFHSA-N 374.484 5.236 0 40 FKAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl 225375938 FIUXMPLDYJKKCH-CQSZACIVSA-N 350.289 5.064 0 40 FKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528058 QJXUKWLZVMVJLY-UHFFFAOYSA-N 364.272 5.453 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225549971 RBKVMUFDTGYCCF-UHFFFAOYSA-N 357.881 5.579 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(C)c(C)cc3C)ccc21 225648367 CKAXQJJZLHIMFK-UHFFFAOYSA-N 356.469 5.992 0 40 FKAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCC1 225852176 KTMPMIVLVAZHKN-UHFFFAOYSA-N 369.505 5.695 0 40 FKAB Cc1nc2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2n1C 225894375 BMKTWTOPBJUHQJ-UHFFFAOYSA-N 373.481 5.285 0 40 FKAB CC(C)c1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 226299955 NCQLZSWKTJPZNV-UHFFFAOYSA-N 368.893 5.220 0 40 FKAB S=C(NCc1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 408588858 ZTGYZRONRNVPOB-UHFFFAOYSA-N 368.889 5.619 0 40 FKAB O=C1/C(=C/c2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 409195738 KNXCSIUMRSOMPF-LDADJPATSA-N 366.247 6.212 0 40 FKAB COC(=O)c1cc(CC=C(C)C)c(O)c(C/C=C(\C)CCC=C(C)C)c1 601014576 ZDDYPNINFTUGHJ-WOJGMQOQSA-N 356.506 5.923 0 40 FKAB biogenic,in-vitro COc1ccc(Oc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1 794515 QFAUPWXYSSSMKD-UHFFFAOYSA-N 358.397 5.106 0 40 FKAB Cc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1 844837 QPRZJIMXMVWCAO-UHFFFAOYSA-N 374.444 5.591 0 40 FKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)ccc1C)CO3 2122012 FDJJPGOWJBIUNJ-UHFFFAOYSA-N 363.457 5.027 0 40 FKAB biogenic C(CSc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1 2560369 XBMCYJDHTDKVJI-UHFFFAOYSA-N 366.576 7.205 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(SC(F)F)cc1 2647636 KUXSQYULXXWUDN-UHFFFAOYSA-N 359.397 5.415 0 40 FKAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 4910687 BSCWFZMESQLVPW-INIZCTEOSA-N 371.452 5.112 0 40 FKAB Cc1sc2nc([C@H](C)Oc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1C 5171631 XVJBEQWDWYMIGG-QMMMGPOBSA-N 369.273 5.048 0 40 FKAB Cc1cc(C)cc(N2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)c1 5484994 VFYZQSHHEWBJKJ-UHFFFAOYSA-N 369.848 5.037 0 40 FKAB O=C(Nc1cccc(Cl)c1)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 5684635 GWKZPDGDETZWEX-IBGZPJMESA-N 372.251 6.332 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC 6261362 VNHPBXQBKLVFLW-UHFFFAOYSA-N 363.413 5.057 0 40 FKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc4ccccc4c3)sc2c1 6279402 LAMXSTBWCRXDMI-UHFFFAOYSA-N 351.858 6.269 0 40 FKAB Cc1ccc(Cl)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 6426479 JBWHRGAMWYPEGP-UHFFFAOYSA-N 363.166 5.965 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(Cl)c(C)c3)cc2)cc1 6479735 GLHZNQPZEWIHEN-UHFFFAOYSA-N 366.844 5.755 0 40 FKAB CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 6907241 FLEDXHCUVHRPKF-MRXNPFEDSA-N 364.518 5.043 0 40 FKAB Cc1ccc(Oc2ccccc2NC(=O)c2ccccc2C(F)(F)F)cc1 7166454 KXGXJSCGARQONA-UHFFFAOYSA-N 371.358 6.058 0 40 FKAB C[C@@H](NC(=O)CSc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 7416357 VSKHNKPFBMWEFS-LLVKDONJSA-N 363.841 5.195 0 40 FKAB COc1cc(OC)c(NC(=S)Nc2cccc(Cl)c2C)cc1Cl 8330247 RSFYBFCVHLNBLG-UHFFFAOYSA-N 371.289 5.128 0 40 FKAB CCSc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 8498866 FQKRYMUBUAWMKL-UHFFFAOYSA-N 361.510 5.641 0 40 FKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCC[C@H](C)C1 8572552 GRLPCGKDEINVJF-INIZCTEOSA-N 362.473 5.273 0 40 FKAB CCCC(=O)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl 9668716 KOLBPGPMIBUKFT-UHFFFAOYSA-N 365.285 6.009 0 40 FKAB Cc1cccc(C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)cc1 13988250 ZZWMYFNIWMLCDR-UHFFFAOYSA-N 372.468 5.425 0 40 FKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)oc2c1 16348557 WRMOOTOIRHMGFM-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757600 PMYFCASRXOTVJJ-INIZCTEOSA-N 373.481 5.157 0 40 FKAB Brc1ccsc1/C=C\c1sccc1Br 17118114 VDOQKHMSNJVSJS-UPHRSURJSA-N 350.100 5.505 0 40 FKAB COc1ccc([C@H](NC(=O)c2cc(Cl)ccc2Cl)C(C)C)cc1 18087697 VFZUZDZKYXXTND-QGZVFWFLSA-N 352.261 5.129 0 40 FKAB CCCCOc1cccc(NC[C@H](C)Oc2ccc(Cl)cc2Cl)c1 19738344 SJZCQQOYJOYNNO-AWEZNQCLSA-N 368.304 6.052 0 40 FKAB CC(C)N1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19802390 KZUYNEYIJRBPII-IBGZPJMESA-N 372.965 5.114 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 20105828 CNKKFYZOZHOGLF-QVKFZJNVSA-N 351.421 5.014 0 40 FKAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)cc1 20796659 VRGIILFFCYBAHI-UHFFFAOYSA-N 363.436 5.219 0 40 FKAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(Cl)cc1 22072310 VPKXJWREHOCNAN-UHFFFAOYSA-N 351.837 5.348 0 40 FKAB CC1CCN(Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)CC1 22512411 WXGRWYPPMXPLGN-UHFFFAOYSA-N 358.485 5.324 0 40 FKAB CC(C)c1ccc(-c2nc(C(=O)N3CCc4sccc4C3)cs2)cc1 22992008 INVHYLLSNLTVJZ-UHFFFAOYSA-N 368.527 5.194 0 40 FKAB CCCn1c(SCc2cc(C)no2)nc2ccc(C(F)(F)F)cc21 45660127 QHWVQXFMYKNKRO-UHFFFAOYSA-N 355.385 5.054 0 40 FKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1C 67259427 BOCKSINULHVMMS-UHFFFAOYSA-N 364.514 5.421 0 40 FKAB FC(F)(F)c1ccccc1-c1cc2c(n1Cc1ccccc1)CCCC2 95951738 AABWHEPDGYAHRG-UHFFFAOYSA-N 355.403 6.101 0 40 FKAB Cc1ccc([C@]2(CCN[C@H](C)c3ccccc3)CCO[C@H](C(C)C)C2)cc1 102809898 NKGXTFCIHUTLTA-IEZKXTBUSA-N 365.561 5.809 0 40 FKAB biogenic COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223265185 HSXACCQMKIICBV-XLNAKTSKSA-N 367.489 5.026 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCC 224725587 PXRGJRGAQZXQQJ-UHFFFAOYSA-N 355.478 5.271 0 40 FKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 224987798 QIMAGDQRBNPXKI-UHFFFAOYSA-N 358.652 5.443 0 40 FKAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1 225353744 PJHRLXCUIXXPMY-UHFFFAOYSA-N 368.329 5.273 0 40 FKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225519386 KTWCXLYIAQWSAZ-INIZCTEOSA-N 355.453 5.454 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1OC 225677633 HDZYEGLRRMVIGG-FZKQIMNGSA-N 363.910 5.097 0 40 FKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 225859383 GWUIYEKAGUXQMQ-UHFFFAOYSA-N 352.478 5.019 0 40 FKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2Cl)c1 228956395 UAIOSMYVNBKQNI-UHFFFAOYSA-N 353.249 5.770 0 40 FKAB Cn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cn1 253505350 JHTFPRFKUMCPIU-LFBHBSJHSA-N 368.565 5.207 0 40 FKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 257265820 MALLRKUVIJXYLQ-TZIWHRDSSA-N 360.501 5.119 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 842360 RHLDUTGAGKRHRC-UHFFFAOYSA-N 372.424 5.454 0 40 FKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)nc2c1 848957 ITAJGQHVQBCAJZ-UHFFFAOYSA-N 357.413 5.013 0 40 FKAB CC(C)(C)c1ccc(COC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2050962 MFGPJVHYFXUVBT-UHFFFAOYSA-N 352.261 6.040 0 40 FKAB Cc1ccc(NC(=O)CCCCCCCCCC[C@H]2COCCO2)cc1 4025885 NXDJFCQNKNCNCK-NRFANRHFSA-N 361.526 5.250 0 40 FKAB biogenic CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)cc(C)c3)ccc21 4123402 HYMRVOQZNUWVEN-UHFFFAOYSA-N 372.468 5.449 0 40 FKAB CCOc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 4124698 WDMWMANYMDACIW-UHFFFAOYSA-N 369.468 5.617 0 40 FKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1Cl 4798159 AIWLWRKJNPSWTF-FQEVSTJZSA-N 366.823 5.559 0 40 FKAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1ccccc1Cl 5218609 CROLGMNCQXTWCB-KONDSOJQSA-N 352.865 5.208 0 40 FKAB CCOC(=O)c1c(-c2ccccc2)oc2c(-c3ccccc3)cc(O)cc12 5233987 WFLVUOOBVFSYOH-UHFFFAOYSA-N 358.393 5.649 0 40 FKAB biogenic S=c1n(CN2CCCCC2)nc(-c2ccccc2)n1C1CCCCC1 6658535 YLVLLELHEAWEKV-UHFFFAOYSA-N 356.539 5.030 0 40 FKAB O=C(Nc1nccs1)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 12376950 TVBASXQHVRRQRE-UHFFFAOYSA-N 357.438 5.124 0 40 FKAB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccccc1 12741426 FASYYMGRKIELSJ-CCEZHUSRSA-N 358.828 5.210 0 40 FKAB CCc1cccc(C)c1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 13004699 UTPNJQHYHFFWLI-HSZRJFAPSA-N 372.512 5.070 0 40 FKAB Cc1ccc(-c2cnn3c(Nc4ccc(C)c(Cl)c4)cc(C)nc23)cc1 27585852 IEXDNORWGBUCFD-UHFFFAOYSA-N 362.864 5.719 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1F 28210904 AMTQOZUKWPJNKE-UHFFFAOYSA-N 353.649 5.028 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(CC)CC 28284535 TYHDGTOOSSPHJF-UHFFFAOYSA-N 373.518 5.583 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 30865092 LATXOPQUEFSCAW-PXAZEXFGSA-N 351.874 5.227 0 40 FKAB O=C(Cc1cccc2ccccc12)N(Cc1ccc2cc[nH]c2c1)C1CC1 32093823 NGJCKZMGNWFXIS-UHFFFAOYSA-N 354.453 5.055 0 40 FKAB Cc1cc2c(cc1[C@@](C)(O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 45329791 QSJOZWPYZHBYNR-DEOSSOPVSA-N 366.501 5.298 0 40 FKAB CCC[C@@H](NC(=O)c1cccc(COC)c1)c1cccc(C(F)(F)F)c1 58218980 CJXXPQBADLECSS-GOSISDBHSA-N 365.395 5.123 0 40 FKAB Cc1cccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1F 98073075 CHMBKTYTQUZMJV-MRXNPFEDSA-N 361.416 5.107 0 40 FKAB Cc1cc(=O)oc2cc(NC(=O)C34CC5C[C@](C)(C3)C[C@](C)(C5)C4)ccc12 102516485 MMTLCBKXLXTLOG-XCAKMYDFSA-N 365.473 5.037 0 40 FKAB CC1(C)CC(O)=C[C@@]2(C1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 103526472 SCHHRCFWQAPNPZ-UTKZUKDTSA-N 366.486 5.250 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)c1ccc(C)cc1C 219613257 UDQROLXAXQJOBO-VQTJNVASSA-N 359.897 5.382 0 40 FKAB O=C(CCc1cccc2ccccc12)NCCSc1ccc(Cl)cc1 222660603 XAXYHBZIWNNEOI-UHFFFAOYSA-N 369.917 5.334 0 40 FKAB C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222903431 GJUJGUZTYHFNHP-CQSZACIVSA-N 359.922 5.188 0 40 FKAB CC(C)(C)c1ccccc1O[C@H](Cc1cccc(Cl)c1Cl)C(=O)O 225082547 UAYNGILEWOCQJU-MRXNPFEDSA-N 367.272 5.366 0 40 FKAB CCOc1ccccc1NC(=S)N[C@@H](CC(C)C)c1ccc(OC)cc1 225497693 OERLIFAZJRCOAA-IBGZPJMESA-N 372.534 5.168 0 40 FKAB COc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1OC 225763936 SIAJHGFRIDVDGV-FQEVSTJZSA-N 372.534 5.004 0 40 FKAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2ccccc12 225833649 TUXPYUPUONHPCB-ZHRRBRCNSA-N 355.478 5.162 0 40 FKAB Cc1cccc(C[C@]2(C)CCc3cc(-c4ccccc4C(=O)O)ccc3O2)c1 257279902 OIQBBVBVSBXDEG-VWLOTQADSA-N 372.464 5.687 0 40 FKAB Cc1cc(Br)ccc1NCc1cc(Cl)c(O)c(Cl)c1 408611821 RSGSODPRRTZMEB-UHFFFAOYSA-N 361.066 5.382 0 40 FKAB Clc1ccc(CSc2nnc(COc3ccccc3Cl)o2)cc1 409015952 PWUHGIHQTCPTRD-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB Cc1cccc(-n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 409116981 MSOJCNNNMZPEPN-UHFFFAOYSA-N 364.301 5.483 0 40 FKAB O=c1[nH]nc(Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc12 1391264 HOONCJVIJIICHV-UHFFFAOYSA-N 371.223 5.081 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)COc3cccc(Cl)c3)cc2)cc1 1747851 SFOYGRRZERZPDH-UHFFFAOYSA-N 352.817 5.300 0 40 FKAB COc1ccc(-c2c/c(=N\c3cc(C)ccc3C)c3cc(C)ccc3o2)cc1 1805919 WIPBEFAGZCXGLQ-WNAAXNPUSA-N 369.464 6.266 0 40 FKAB COc1ccc2oc(-c3ccccc3)c/c(=N\c3nc(C)c(C)s3)c2c1 1992305 WJXWRDVFECCQHV-PTGBLXJZSA-N 362.454 5.414 0 40 FKAB Clc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1Cl 2269576 WOKWRMSSCJDUAC-UHFFFAOYSA-N 358.272 5.594 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)cs1 3120970 QUVDHRNSGKMLMJ-UHFFFAOYSA-N 373.275 5.133 0 40 FKAB Cc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)s1 3264592 MSSDJKQJJAZRRU-UHFFFAOYSA-N 362.406 5.049 0 40 FKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1C 4676725 CEHHYXMVLDZPOO-UHFFFAOYSA-N 372.424 5.129 0 40 FKAB Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 4800429 PVEQEICUEGRSDT-UHFFFAOYSA-N 364.301 5.005 0 40 FKAB CC(C)c1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 5414085 RDMMNKYVZMCDDY-UHFFFAOYSA-N 359.469 5.095 0 40 FKAB COc1ccccc1Nc1nnc(S[C@@H](C)c2ccc(F)cc2)s1 6035749 LNDZJQJHNAAGRP-NSHDSACASA-N 361.467 5.283 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6215654 ONZIUJHCEFRNKG-HNNXBMFYSA-N 367.832 5.538 0 40 FKAB O=C(CSc1ccc(Br)cc1)Nc1ccccc1C(F)F 6227016 SKNBNNXJRCZBNS-UHFFFAOYSA-N 372.234 5.118 0 40 FKAB Cc1cc(C)c2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1 6273629 ITPXQYDOLBCGMQ-UHFFFAOYSA-N 352.793 5.097 0 40 FKAB O=C(Nc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 6340699 XAHPBBXPYZXCSW-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 7790086 WYIGEYBMILLHSJ-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 8494160 LGXNSHFKTBYMPS-NRFANRHFSA-N 365.860 5.803 0 40 FKAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 9694909 GEGBIUXJEJTMEW-UHFFFAOYSA-N 373.861 5.074 0 40 FKAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1C 10442090 INLRAFBNDMOLLV-NTCAYCPXSA-N 365.473 5.121 0 40 FKAB CCN(C(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 12764091 XARIADWZFFWGPQ-UHFFFAOYSA-N 356.878 5.059 0 40 FKAB Cc1oc(-c2ccccc2)nc1CSCCC(=O)Nc1cccc(F)c1 12935781 RWBOCOVKZSTKOO-UHFFFAOYSA-N 370.449 5.051 0 40 FKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2cc[nH]c2c1 13624381 MSENEYDOITWEMX-UHFFFAOYSA-N 354.453 5.120 0 40 FKAB COc1ccccc1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 17029399 SFGDRWYCBLXFPK-UHFFFAOYSA-N 361.832 5.702 0 40 FKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 20452475 LJYHIHBENPOXEL-HSZRJFAPSA-N 370.496 5.130 0 40 FKAB C[C@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 25616280 FJCIUMMFIKXBGC-OAHLLOKOSA-N 368.864 5.147 0 40 FKAB CC1(C)COC(CCCCC(=O)c2ccccc2-c2ccccc2)OC1 43214505 QBKJPNKDXJWLRO-UHFFFAOYSA-N 352.474 5.496 0 40 FKAB CCOc1ccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)n[nH]3)n2)cc1 46913928 REPSTRXOZARKFZ-UHFFFAOYSA-N 374.444 5.316 0 40 FKAB CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 60676407 BYAKDGGXQFBNSR-UHFFFAOYSA-N 360.841 5.156 0 40 FKAB COc1ccc(O[C@H](C(=O)Nc2cccc(C)c2C)c2ccccc2)cc1 80344410 VBULVWRWZKRFGW-QFIPXVFZSA-N 361.441 5.071 0 40 FKAB Cc1ccc(CN[C@H](c2ccc(Br)cc2)C2CCC2)s1 84205535 HLDLZDMXCFCDOG-KRWDZBQOSA-N 350.325 5.450 0 40 FKAB Cc1ccc(Cc2cc3cc(Br)ccc3nc2Cl)cc1C 96675832 KXJVONDZWQXNNV-UHFFFAOYSA-N 360.682 5.858 0 40 FKAB Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)O[C@@H](C)C(C)(C)C)ccc12 98095546 CYDMOFDZVMDHJF-APXPCNQMSA-N 372.785 5.408 0 40 FKAB CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915113 GDNCPMQDMBBSRP-HVWUICSASA-N 374.521 5.018 0 40 FKAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCC[C@H](C)C1 225667545 DNPUBHADKCNNSB-IFXJQAMLSA-N 353.890 5.053 0 40 FKAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 225676908 SWSJRVLDNKDIEW-GOSISDBHSA-N 354.519 5.201 0 40 FKAB Fc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1F 225860829 RMYDUGSRYUNVQO-UHFFFAOYSA-N 360.473 5.197 0 40 FKAB CC(C)Oc1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 225867817 IWRRYWCNVOAZKE-UHFFFAOYSA-N 360.548 5.291 0 40 FKAB COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609818 PDFYDMTVIFSSKW-ZNQZYEKSSA-N 372.593 6.401 0 40 FKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 408620606 HQXDFTOCIREGFQ-ZDUSSCGKSA-N 368.502 5.444 0 40 FKAB CN(Cc1ccccc1)C(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408906290 FOQLFCPTZWIQHN-LTGZKZEYSA-N 361.872 5.539 0 40 FKAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)cc1 408996103 OCQZJBIZUFYHNE-FSSWDIPSSA-N 355.437 5.164 0 40 FKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2)c(Cl)c1 409119880 QWUZAOUUJXXBCV-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1cccc(Cl)c1 851088 MIDVPKUKSNGHNC-UHFFFAOYSA-N 352.604 5.414 0 40 FKAB Cc1cc2ccccc2c[n+]1CCCCC[n+]1cc2ccccc2cc1C 1668362 PJLUAGDQUPISJA-UHFFFAOYSA-N 356.513 5.055 0 40 FKAB CCCCCCNC(=O)N[C@H]1c2ccccc2CSc2ccccc21 2193189 WOWUIZDCLQJAIJ-FQEVSTJZSA-N 354.519 5.261 0 40 FKAB Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)cc1 2733285 LESLNUAYWNYXBF-UHFFFAOYSA-N 374.434 6.160 0 40 FKAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 3192520 AEQZKJSEPAXEKZ-UHFFFAOYSA-N 351.833 5.197 0 40 FKAB CC(C)[C@H](CCC[C@H](C)C[C@H](O)Cc1ccccc1)Cc1ccccc1 3845961 VTHTXJLWIHKOGX-GPUOULLFSA-N 352.562 6.301 0 40 FKAB O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)c1ccc(Cl)cc1 4555388 NANUERGXVGRSDA-UHFFFAOYSA-N 361.228 5.825 0 40 FKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 5274751 PTOPAWVETZHSNI-VXJOIVPMSA-N 367.301 5.034 0 40 FKAB Cc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)c1 5460338 NKFAXMRHBWNQGC-RBBKRZOGSA-N 357.432 5.630 0 40 FKAB OC1=Nc2c(cnn2C2CCCCC2)[C@@H](c2ccc(Cl)cc2)SC1 5499976 WEWVFTVFUZRFPN-QGZVFWFLSA-N 361.898 5.466 0 40 FKAB Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3Cl)sc2c1 6548268 JDJAZLNFHBJOBU-UHFFFAOYSA-N 369.298 5.160 0 40 FKAB Cc1cccc(-c2nnc([C@H](C)N3CCC(Cc4ccccc4)CC3)o2)c1 7341740 KLUHKCJYXRAYFH-SFHVURJKSA-N 361.489 5.061 0 40 FKAB Cc1cc2c(cc1C)C(Nc1ccc(OC(F)(F)F)cc1)=NC(C)(C)C2 9344589 GLTWIBCCMMSOIO-UHFFFAOYSA-N 362.395 5.395 0 40 FKAB Cc1nc(COc2ccc(/C=C/c3ccc4ccccc4n3)cc2)cs1 12523242 ZOGDKKBLKSOYNE-UXBLZVDNSA-N 358.466 5.749 0 40 FKAB c1ccc2sc([C@H]3CCCCN3c3ncnc4sccc34)nc2c1 12751614 FDATVXVRJFZXLB-CQSZACIVSA-N 352.488 5.033 0 40 FKAB Cc1nc(-c2nc(NCc3ccco3)ncc2-c2ccsc2)sc1C 12751767 UXZRRUUFTNHFGT-UHFFFAOYSA-N 368.487 5.151 0 40 FKAB COCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C 13017747 RJPOGPXBWZYNEX-UHFFFAOYSA-N 352.478 5.084 0 40 FKAB Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccccc3Cl)n2)c1 13960702 BRTDSWVFCUWFJP-UHFFFAOYSA-N 358.872 6.477 0 40 FKAB Cc1ccccc1C(=O)NCCC(=O)Nc1c(C(C)C)cccc1C(C)C 15578051 WWRXKERIQRJZGN-UHFFFAOYSA-N 366.505 5.000 0 40 FKAB COc1ccc(N2C(=S)N=C(Nc3ccccc3)C23CCCCC3)cc1 18057319 JFYCXLMBPJHXDW-UHFFFAOYSA-N 365.502 5.014 0 40 FKAB Cc1cc(C)cc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)c1 20796629 DHOFXVCQWSNQLU-HNNXBMFYSA-N 363.436 5.137 0 40 FKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1 28287766 BPWJTVLPDWHVDV-UHFFFAOYSA-N 355.434 5.133 0 40 FKAB CC(C)c1ccc2nc3sc(C(=O)N4CCCCCC4)c(N)c3cc2c1 35288874 DWYNGKRJBVCEEB-UHFFFAOYSA-N 367.518 5.171 0 40 FKAB Brc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 40249538 LEMXEWCHMKERQU-UHFFFAOYSA-N 363.258 5.514 0 40 FKAB Cc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 58687961 HVIUVOQFSRTUCJ-UHFFFAOYSA-N 371.843 5.349 0 40 FKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC(C)C 72214821 JDJSSMOFFGDTQS-GOSISDBHSA-N 361.530 5.026 0 40 FKAB CC(C)[C@@H](C)N(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CC1 84409885 RPMIVQLYLSAENX-SNVBAGLBSA-N 354.928 5.174 0 40 FKAB Fc1ccc(/C=C2/CCCC3=C2NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 96400824 JDCHOZXTHQAWCS-LJQBUTKESA-N 368.452 5.005 0 40 FKAB C[C@H](NC(=O)/C(=C/c1cccs1)c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 110560811 WREBBBLIVDZORN-REEBHOEKSA-N 357.544 5.291 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1 219038464 HAIXXPFPOSBFMO-MRXNPFEDSA-N 367.876 5.010 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccc(OC)c(C)c1 223959569 NDNJUPJILPDHQH-VQTJNVASSA-N 369.505 5.045 0 40 FKAB CCOc1ccc(C(=O)NC2CCCC2)cc1CSc1ccccc1 224649179 CELVDNQTVRPFJG-UHFFFAOYSA-N 355.503 5.050 0 40 FKAB Cc1ccc(C)c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 225112493 SQDHPBHAFQJEDA-UHFFFAOYSA-N 359.513 6.024 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225527409 QPHOJRLLNLOGSV-UHFFFAOYSA-N 371.908 5.806 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 225867651 MJASIXLTTQVUDQ-INIZCTEOSA-N 357.972 5.003 0 40 FKAB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)cc1 226333213 OFLWCQNVMZPNAV-VDWMVFLBSA-N 361.485 5.805 0 40 FKAB Cc1c(F)cccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 408916124 UZHDVHIPEOZBKZ-UHFFFAOYSA-N 356.224 5.239 0 40 FKAB N[C@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)Cc1ccccc1 1772626590 NRPLBOJPTPUKGL-KRWDZBQOSA-N 371.839 5.220 0 40 FKAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(F)cc2)c1 825301 JYCPLNSTPGXELP-QFIPXVFZSA-N 359.444 5.387 0 40 FKAB Cc1cccc2cc3c(N)c(-c4nnc(-c5ccccc5)o4)sc3nc12 977023 FUEOQHGIJIQGGK-UHFFFAOYSA-N 358.426 5.057 0 40 FKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)C3CCCCC3)cc12 1448005 BSFHFNMCDUCSLO-UHFFFAOYSA-N 372.461 5.393 0 40 FKAB biogenic Cc1cc(C)c(O)c(Cc2cccc(Cc3cc(C)cc(C)c3O)c2O)c1 1679639 ZBVMHRPGUVTUBV-UHFFFAOYSA-N 362.469 5.219 0 40 FKAB in-vitro Cc1ccc(C)c(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 2268205 JNBZFSKEKGGIDB-UHFFFAOYSA-N 359.860 6.311 0 40 FKAB COc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCC4)cc1F 2286451 FXXBSINNWVONJG-UHFFFAOYSA-N 364.372 5.151 0 40 FKAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(-c2ccc(O)cc2)c1 3310196 JZGPXGPLUPHJOD-UHFFFAOYSA-N 371.358 5.008 0 40 FKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)CN2CCCCCC2)cc1 3362712 BONLYYFBUMVPPG-UHFFFAOYSA-N 365.521 5.048 0 40 FKAB CC(C)[C@@H](CCC[C@@H](C)C[C@H](O)Cc1ccccc1)Cc1ccccc1 3845958 VTHTXJLWIHKOGX-ZODMCCGTSA-N 352.562 6.301 0 40 FKAB O=P1(Nc2nc3ccc(Cl)cc3s2)COc2ccccc2OC1 4754158 MAWYEQIVXZCLOT-UHFFFAOYSA-N 366.766 5.026 0 40 FKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1 4969977 FORSQIYLDHZGFS-UHFFFAOYSA-N 367.427 5.942 0 40 FKAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl 6224336 PHTBZWKVKGFDDL-UHFFFAOYSA-N 371.072 5.101 0 40 FKAB CCCCN(C)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 6310320 LXMXPJXVHPZEAS-UHFFFAOYSA-N 354.523 5.088 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N(c1ccccc1)c1cccc2ccccc12 6344390 BSDHRDDNDJNXLQ-UHFFFAOYSA-N 372.855 6.863 0 40 FKAB Cc1cc(C)c(NC(=O)c2ccccc2)c(C)c1NC(=O)c1ccccc1 6921970 VKMDWJOOUDCJOK-UHFFFAOYSA-N 358.441 5.116 0 40 FKAB O=C(Nc1cccc(Cl)c1)c1ccc(OCc2ccccc2Cl)cc1 7699637 GGIUEINZBJOJNL-UHFFFAOYSA-N 372.251 5.825 0 40 FKAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCc2ccccc21 9884327 SKLBHMGTVLRONW-UHFFFAOYSA-N 360.438 5.149 0 40 FKAB CC(C)C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccccc1 12772201 JJUUNSWPDOHIAB-KRWDZBQOSA-N 364.258 5.105 0 40 FKAB Cc1ccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)cc1Cl 17135686 WILBKVUPSKBXAY-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)cc1 17198386 OJXAVAFMBMXTBW-KRWDZBQOSA-N 368.285 5.171 0 40 FKAB Clc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)cc1Cl 19343331 WKEUMUWYJOFFRI-HNNXBMFYSA-N 369.342 5.585 0 40 FKAB Clc1ccc(-c2n[nH]c(SCc3c(Cl)cccc3Cl)n2)cc1 20763719 ASTSJKBEBFDPBO-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)c1C 20796593 WUBINLVNDQRTNA-CYBMUJFWSA-N 363.436 5.137 0 40 FKAB Cc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1C 21364422 ATVLENLNDUPBDV-UHFFFAOYSA-N 360.280 5.328 0 40 FKAB CCCc1cc(N[C@@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 27585210 HCHPLYGNFBEYLA-KRWDZBQOSA-N 356.473 5.522 0 40 FKAB CCOc1ccccc1NC(=O)c1ccc(COc2ccc(CC)cc2)o1 28238065 CESQGXJONDJEKZ-UHFFFAOYSA-N 365.429 5.072 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 30852710 XFBQOQHDZSIFJS-KRWDZBQOSA-N 361.441 5.447 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn23)c(C)c1 35615776 YGMVEEATTYVRPE-UHFFFAOYSA-N 363.848 5.721 0 40 FKAB Cc1ccc(CN(C(=O)Nc2cccnc2)[C@@H]2CCc3ccccc32)cc1 58051194 GUDPZHUDFCBGIX-JOCHJYFZSA-N 357.457 5.112 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCCC[C@@H]1Cc1ccccc1 58177680 DWASPQKIIGCNDG-OAQYLSRUSA-N 364.533 5.154 0 40 FKAB Cc1ccc(Nc2ccccc2C(=O)Nc2ccc(-c3nnco3)cc2)cc1 63820487 ZXOHGBQBJBJFBI-UHFFFAOYSA-N 370.412 5.041 0 40 FKAB Cn1ccnc1-c1cccc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1 65152399 DAWOINNZLBCKIF-UHFFFAOYSA-N 373.500 5.055 0 40 FKAB O=C(Nc1cccc2[nH]ccc12)c1ccc(-c2cccc(C(F)(F)F)c2)o1 69528059 BZSJLQPAUJQSHN-UHFFFAOYSA-N 370.330 5.699 0 40 FKAB COc1ccc(NC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c2ccccc12 101193057 XBJNMPRSTJWGTM-JCMHNJIXSA-N 372.468 5.098 0 40 FKAB CCC[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@H]1[C@H]2C 106898018 VBWAQBZDGGCZAO-AMVAKQTESA-N 363.542 5.079 0 40 FKAB biogenic CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)c(C)c1 219031730 WJDKRFFVODFHDQ-MBSDFSHPSA-N 361.485 5.491 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1OC 223010904 KZNMUTLDQNYGKQ-INIZCTEOSA-N 368.260 5.107 0 40 FKAB Cc1ccccc1[C@H](NC(=S)Nc1c(F)cccc1F)c1ccccc1 225505436 VJIJNAPBVQYRMT-LJQANCHMSA-N 368.452 5.349 0 40 FKAB CCc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225850499 GQGXHPUPCASXPN-UHFFFAOYSA-N 352.547 5.481 0 40 FKAB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cccs3)C[C@@H]21 227487074 LSKHKPCKQAPKJF-KXBFYZLASA-N 368.483 5.061 0 40 FKAB S=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC1CCCCC1 408547974 BDQMPFNPABHQAQ-UHFFFAOYSA-N 368.590 5.774 0 40 FKAB Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 408623285 SBQBFQHEARKBGO-UHFFFAOYSA-N 371.358 6.058 0 40 FKAB O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 408705604 JNOULAXPDNAPKX-UHFFFAOYSA-N 358.652 5.445 0 40 FKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=C(C)C[C@H]32)C1 1188458 NELMHAIFXJZDST-FHROMFLPSA-N 370.533 5.396 0 40 FKAB COc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ccccc2S1 1399374 XMNUWSAFPSHBQQ-FQEVSTJZSA-N 351.496 6.115 0 40 FKAB aggregator Cc1ccc2oc(-c3ccccc3Cl)c/c(=N\c3cccc(C)c3C)c2c1 1805956 LXPMBJNPQWGOFC-XTCLZLMSSA-N 373.883 6.911 0 40 FKAB CCCCCCSc1nc(N)c2c3c(sc2n1)CO[C@](C)(CC)C3 2296612 OPNMSKJDSCHNJC-GOSISDBHSA-N 365.568 5.187 0 40 FKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2C1 2331402 RIJUHJRMLLWMMV-UHFFFAOYSA-N 360.244 5.065 0 40 FKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2c(s1)CCCC2 2773405 VOZITPYNXPMQKO-UHFFFAOYSA-N 362.498 5.183 0 40 FKAB O=C1CS[C@@H](c2ccccc2F)N1c1ccc(Oc2ccccc2)cc1 2949287 NFKYFTYDYIBGLU-NRFANRHFSA-N 365.429 5.397 0 40 FKAB COc1ccccc1C(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 3222519 SNGKQXWFVVYLGM-UHFFFAOYSA-N 360.457 5.494 0 40 FKAB CCOC(=O)c1nc2sc3c(c2c(-c2ccccc2)c1C)CCCC3 3348858 QIBOBLNIRBSEEJ-UHFFFAOYSA-N 351.471 5.327 0 40 FKAB Cc1sc(N[C@@H](C)c2ccccc2)nc1-c1ccc(Br)cc1 3377178 UHOLGKBJCLXCOI-LBPRGKRZSA-N 373.319 6.054 0 40 FKAB CC(C)c1ccc(C(=O)COC(=O)c2csc3c2CC[C@H](C)C3)cc1 3417686 XJNMJZISWPBDTL-AWEZNQCLSA-N 356.487 5.036 0 40 FKAB O=C(Nc1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)[s+]1 3846800 ZJTXUKQJSOMMOM-UHFFFAOYSA-O 368.481 6.616 0 40 FKAB biogenic CCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 4525945 OMPOFPONLVOMQA-UHFFFAOYSA-N 374.267 6.166 0 40 FKAB OC1=Nc2c(cnn2C2CCCCC2)[C@H](c2ccc(Cl)cc2)SC1 5499984 WEWVFTVFUZRFPN-KRWDZBQOSA-N 361.898 5.466 0 40 FKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC[C@H]2C)c(C(C)C)c1 5672510 WJHQONGVQVLBAI-QGZVFWFLSA-N 365.583 5.620 0 40 FKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCCC1 6208568 QJOIYGNUIPEREL-GOSISDBHSA-N 366.892 5.260 0 40 FKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(O[C@H](C)CC)cc2)c1 6396928 LYLURVDOVMHSMS-MRXNPFEDSA-N 368.477 5.245 0 40 FKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 6449757 JDESHSFLHHGBIN-INIZCTEOSA-N 370.452 6.261 0 40 FKAB Cc1cc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 6714678 ZCDZWMRVIAKLIU-UHFFFAOYSA-N 366.770 5.261 0 40 FKAB Cc1c(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)oc2ccccc12 8275393 WINFFEUMOMJVFI-UHFFFAOYSA-N 366.417 5.180 0 40 FKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccco1 9141341 ZAGNOCKQXKWFDL-UHFFFAOYSA-N 354.365 5.493 0 40 FKAB CC(C)(C)C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 12312149 HVWYKQCZAPIBES-UHFFFAOYSA-N 372.468 5.384 0 40 FKAB CCCCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12653695 ULKPKSITLDMDMJ-DNVBULBTSA-N 365.558 5.325 0 40 FKAB CCOC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1C 13161701 GVPKVRZTVYEELU-UHFFFAOYSA-N 365.376 5.467 0 40 FKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 13404513 RQNYQAQPXXMMQI-QIJUGHKUSA-N 350.502 5.823 0 40 FKAB biogenic CC(C)C(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)C(C)C 13687568 ZVMPXMKMRIFRCF-UHFFFAOYSA-N 359.897 5.329 0 40 FKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(Cl)cc3)o2)cc1 15867354 DPEBSFQVUOWTKV-UHFFFAOYSA-N 355.821 5.180 0 40 FKAB O=C(/C=C\c1ccccc1)N1c2ccccc2C[C@H]1c1c[nH]c2ccccc12 16918530 DMQRESCOMHWLMW-XYSUMVETSA-N 364.448 5.512 0 40 FKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)cc1 18132186 HDCGRIDCVCYMAJ-FZKQIMNGSA-N 363.910 5.097 0 40 FKAB COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1 18209073 LWKCIPORVGAZTO-UHFFFAOYSA-N 374.318 5.223 0 40 FKAB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 20458922 CDAOJLGWQASDGR-JMMZKRSASA-N 361.441 5.096 0 40 FKAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 20486039 ANWFRKXQSYAXLC-SNVBAGLBSA-N 356.274 5.121 0 40 FKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccccc1Cl 22072395 JXKOKLYCCICPQS-UHFFFAOYSA-N 358.228 5.384 0 40 FKAB Cc1ccc(-c2csc(C(=O)n3nc(C)cc3C)c2-n2cccc2)cc1 23126946 WERNJUUODZGDEL-UHFFFAOYSA-N 361.470 5.016 0 40 FKAB CCc1noc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)n1 29137391 FWPXFQFLYRADJE-UHFFFAOYSA-N 374.516 5.104 0 40 FKAB Cc1ccc2oc(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)c(C)c2c1 32624149 SXZINTWQHHIZEO-UHFFFAOYSA-N 365.763 5.557 0 40 FKAB Cc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(Cl)cc2)cc1 44087556 PZTJOTXRVYQCNM-UHFFFAOYSA-N 356.922 6.249 0 40 FKAB CC1=C(C)[C@@H](C)[C@@]2(C)N=NN(c3ccc(Br)cc3)[C@]2(C)[C@H]1C 45070101 AEIGMGYOVQMLSX-LTCOOKNTSA-N 362.315 5.776 0 40 FKAB Cc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(C)n1C(C)C 58295067 VMRWBPNHOOKJKO-UHFFFAOYSA-N 367.424 5.265 0 40 FKAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCCC2)cn1)C1CCCCC1 72215693 CJJMMOCTWOKVBT-UHFFFAOYSA-N 357.498 5.129 0 40 FKAB C[C@@]12CC3CC(NC(=O)c4sc5ccccc5c4Cl)(C1)C[C@@](C)(C3)C2 101195922 SCKPRLCZDGUWQN-JDUUVYRRSA-N 373.949 6.034 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2ccccc2c1 222796518 PTGTUNOKOHQWKJ-XMMPIXPASA-N 369.464 5.467 0 40 FKAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2)c1 224537170 OZEIYVNIHPRDLB-SFHVURJKSA-N 369.505 5.200 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Cc3cccc(Cl)c3)ccc21 224925744 MNHWFTXWWLCYNZ-UHFFFAOYSA-N 362.860 5.649 0 40 FKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)c2cccnc12 225909906 UEEJXLISDDZIFZ-UHFFFAOYSA-N 370.493 5.092 0 40 FKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408560959 GDEGPCBCOZRCSC-FCQUAONHSA-N 364.514 5.211 0 40 FKAB S=C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)N1CCCC1 408571256 ASTYWWZBSOJDDD-UHFFFAOYSA-N 366.313 5.344 0 40 FKAB Cc1ccccc1CSCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 409025908 ABOABCYBUYUKLB-SDNWHVSQSA-N 367.558 5.355 0 40 FKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 840790 CODCKVRNAUWJIH-VIFPVBQESA-N 360.693 5.766 0 40 FKAB Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 2134632 MPAMHDGIWPTCNG-UHFFFAOYSA-N 367.242 5.644 0 40 FKAB CC(C)c1ccc(CN(C)C(=O)c2sc3ccccc3c2Cl)cc1 3334171 WRQILTLRXYLESA-UHFFFAOYSA-N 357.906 5.950 0 40 FKAB Cc1ccc(CNC(=O)CSc2cccc3cccc(Cl)c23)cc1 3354116 KHPGLZKHCAQGPX-UHFFFAOYSA-N 355.890 5.210 0 40 FKAB C[C@H]1[C@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 4027053 DYGSLTDGTPXLQY-VYJPOODASA-N 355.305 5.524 0 40 FKAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3cccs3)C[C@H]21 4715960 MLDXQVAJFXMTDN-CXJKMVGQSA-N 368.502 5.207 0 40 FKAB CC1=C(C)[C@H](c2c[nH]c3ccccc23)N(CCc2ccc(Cl)cc2)C1=O 4775468 UBCMYCBLBBXVAS-OAQYLSRUSA-N 364.876 5.284 0 40 FKAB C[C@@H]1[C@@H](c2ccccc2)OCN1CC=C(c1ccsc1)c1ccsc1 5662755 JAFWSMULEQCSON-IERDGZPVSA-N 367.539 5.661 0 40 FKAB Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6860886 JEEHOIAPGMXGTR-UHFFFAOYSA-N 358.652 5.281 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2C)c(Br)c1 6964473 YTKGTAQWBYHXIL-UHFFFAOYSA-N 369.715 5.528 0 40 FKAB C[C@@H](Sc1ccc(Br)cc1)c1nnc(-c2cccs2)o1 9513997 JJILMCVTVKAHQO-SECBINFHSA-N 367.293 5.414 0 40 FKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCCC2)cc1 10332172 COJDJRVYDHWALS-UHFFFAOYSA-N 363.288 5.232 0 40 FKAB CCCCOc1ccc(NC(=O)c2cccc(OCC)c2)c2cccnc12 15841136 DNQWMZOBBOKWMY-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccccc1F)C1CC1 19296121 JVBXLUDCXCHWOE-UHFFFAOYSA-N 359.444 5.149 0 40 FKAB CCC(C)(C)c1ccc(OCCNc2cccc(OCCC(C)C)c2)cc1 19738374 ZHRHSZAHEOWCKC-UHFFFAOYSA-N 369.549 6.290 0 40 FKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 59094290 ZETJYSVNVPDSDC-UHFFFAOYSA-N 350.487 5.112 0 40 FKAB Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccc3ncccc3c2)cc1 72380350 HBILLSJAEMVCIR-QFIPXVFZSA-N 372.447 5.101 0 40 FKAB C[C@@H](Oc1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 75609907 KCDCZPSALNMUFM-SNVBAGLBSA-N 352.287 5.035 0 40 FKAB Cc1ccc(C)c(-c2nnc(OCc3c(C)noc3C)c3ccccc23)c1 95348843 WJVUOHONZXNFJX-UHFFFAOYSA-N 359.429 5.097 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 219541325 WBIYTVIIQASBKH-ZWKOTPCHSA-N 353.506 5.246 0 40 FKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(C)cc1C 224719761 QWXVIEKNKMOKAN-KNQAVFIVSA-N 367.533 5.770 0 40 FKAB CCc1nc2ccc(NC(=S)N[C@H](C)c3ccc(F)cc3)cc2s1 225208522 IRVPJWQITWSOCC-LLVKDONJSA-N 359.495 5.045 0 40 FKAB CCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@H](C)C1 225717651 ODEJGTGAUIKRCB-AOMKIAJQSA-N 359.510 5.240 0 40 FKAB CCCc1nc(-c2nc(O)c3c(-c4ccccc4Cl)csc3n2)co1 558251060 QZIAREJWMYCRKE-UHFFFAOYSA-N 371.849 5.325 0 40 FKAB Cc1ccc(C(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc1 575443608 WRAIHADQRRHFFC-UHFFFAOYSA-N 368.440 5.367 0 40 FKAB COc1ccc(-n2c(C)nc3nc4c(c(-c5ccccc5)c32)CCCC4)cc1 653338 GCFBUXSNBFJPLZ-UHFFFAOYSA-N 369.468 5.283 0 40 FKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(Cl)cc1C 953625 RTZFPJJVYANTHK-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1051762 JPLFIFRQXZTNRK-UHFFFAOYSA-N 364.832 5.153 0 40 FKAB Cc1ccc(C)c(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1 1241607 HMXGCPGAPQGTEL-UHFFFAOYSA-N 354.457 5.602 0 40 FKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c(C)c1 1268557 XVHROHCEAZMXJT-UHFFFAOYSA-N 356.425 5.672 0 40 FKAB COc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)cc1 1322020 QIMLEDFPZHKZDA-LYBHJNIJSA-N 371.392 5.070 0 40 FKAB biogenic Fc1ccc(-c2sc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 2058754 FEXUOEXYUJRCRF-UHFFFAOYSA-N 372.774 6.365 0 40 FKAB Cc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(C)cc3)c2C)cc1 2733356 ZIUCPCPZKHTVGV-UHFFFAOYSA-N 372.899 6.785 0 40 FKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCCC1 3361701 MSNNOHIUMVCYEG-UHFFFAOYSA-N 374.556 6.119 0 40 FKAB Cc1ccc(Nc2c(-c3ccc(C)s3)nc3ccc(Cl)cn23)cc1 4735121 IRKKTKSCIONSNA-UHFFFAOYSA-N 353.878 6.077 0 40 FKAB CCOc1cccc(CNCc2cccs2)c1OCc1ccccc1 5019718 XGXGNKKXXKVKTN-UHFFFAOYSA-N 353.487 5.016 0 40 FKAB O=C(N[C@@H]1CCSc2ccccc21)C(c1ccccc1)c1ccccc1 5425681 NLSFVQNNUOSGJE-HXUWFJFHSA-N 359.494 5.172 0 40 FKAB Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)[nH]1 8559478 BIZNPLOUZDBIPW-ZDUSSCGKSA-N 371.893 5.158 0 40 FKAB COc1ccccc1[C@@H](C)NC(c1ccc(F)cc1)c1ccc(F)cc1 9582073 PKMZBPAWFZJQJO-OAHLLOKOSA-N 353.412 5.414 0 40 FKAB Cc1csc(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 10774317 ZWOYIDBTHLLOQY-VIFPVBQESA-N 371.409 5.374 0 40 FKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1cccs1 12862425 JZWUVARUMJFHPA-AUUYWEPGSA-N 371.889 5.075 0 40 FKAB O=C(/C=C\c1cccs1)Nc1ncc(Cc2ccc(Cl)cc2)s1 15357250 QJHGCTFYKYQGEN-FPLPWBNLSA-N 360.891 5.101 0 40 FKAB Cc1ccc(Nc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 22053428 KFDDASJDHWQZKG-UHFFFAOYSA-N 371.362 5.405 0 40 FKAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 22531363 YBOBKBUJHRJEOK-DLBZAZTESA-N 353.506 5.191 0 40 FKAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)n(C2CCCC2)n1 28239709 HWSIERZHMAKIHA-UHFFFAOYSA-N 359.882 5.427 0 40 FKAB Fc1ccccc1CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 38652124 KEHYFIQBEBFHJI-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(Cl)cc2)cc1 44087511 NAHAXGBQYNJWIH-UHFFFAOYSA-N 372.921 5.949 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl 44884349 XZRKWMHTCXUSMW-OAHLLOKOSA-N 372.679 5.121 0 40 FKAB CCOC(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 45919927 NZVBKASNESAOFX-UHFFFAOYSA-N 370.619 5.632 0 40 FKAB Cc1cc(-c2csc(-c3ccccc3N)n2)c(C)n1CC(F)(F)F 71817792 YXAOYXUINWUTRY-UHFFFAOYSA-N 351.397 5.040 0 40 FKAB CC(C)c1cc(Br)c2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 73639722 KAVBKBGOIMFKIB-UHFFFAOYSA-N 372.306 6.678 0 40 FKAB Cc1nc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)oc1C 84061730 OWNDUEURWCSJEG-UHFFFAOYSA-N 362.454 5.415 0 40 FKAB Cc1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2n1 89583088 QYEVTMLGKYPYOM-UHFFFAOYSA-N 365.908 5.273 0 40 FKAB Cc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)cc1 100672870 HBVAUEUTXMPBFO-UHFFFAOYSA-N 355.393 5.021 0 40 FKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225897220 RMYJARGJRMEKMR-JOCHJYFZSA-N 372.509 5.194 0 40 FKAB Cc1cc(C)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(N)c1 226347365 HYAZSNFNOGKZIT-UHFFFAOYSA-N 365.285 5.659 0 40 FKAB CC(C)Oc1ccc(-c2cccc(C(=O)O)c2OCc2ccccc2)cc1 257233280 GOPATYNCMYLAQH-UHFFFAOYSA-N 362.425 5.418 0 40 FKAB COc1ccc2c(c1)Cc1sc(=Nc3cccc(Cl)c3Cl)[nH]c1-2 408897096 VPJFYHCSUMNYNQ-UHFFFAOYSA-N 363.269 5.195 0 40 FKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409192101 AAQWDPWIIFSSQC-GZTJUZNOSA-N 373.861 5.368 0 40 FKAB O=C(NCCSCc1ccc(Cl)cc1)Nc1cccc(Cl)c1 409408954 FJMXQSZZASIRNQ-UHFFFAOYSA-N 355.290 5.048 0 40 FKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@@H]1C[C@@H]1c1ccccc1 670539 QJLYBIFURXAANY-WOJBJXKFSA-N 370.477 5.706 0 40 FKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccccc4C)c3)nc2c1 805978 PZYYSOGUKJYEMS-UHFFFAOYSA-N 370.452 5.981 0 40 FKAB CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 959349 SCCBBAAGCNTDRH-UHFFFAOYSA-N 372.877 5.043 0 40 FKAB O=C(CSCc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 1095893 JYZGGQASXMYAFK-UHFFFAOYSA-N 360.693 5.519 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1Cl 1297254 OJWTXXRRZYMRKP-UHFFFAOYSA-N 371.676 5.498 0 40 FKAB CCC(C)(C)OC(=O)Nc1ccc(C)c(NC(=O)OC(C)(C)CC)c1 1711200 PPHAMAPDJVFCRS-UHFFFAOYSA-N 350.459 5.469 0 40 FKAB CCn1c(NC(=O)c2ccccc2)c(-c2cccs2)c(=O)c2ccccc21 2433656 WZCUCRLNCLQPSF-UHFFFAOYSA-N 374.465 5.002 0 40 FKAB CCCc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 2636004 NEAFVPRNKUNZDK-UHFFFAOYSA-N 365.498 5.031 0 40 FKAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1OC 4425861 PXSOSFINSXGGIW-JOCHJYFZSA-N 372.468 5.368 0 40 FKAB CCN(CC)CCCCCCCCCCN(C)Cc1cc2ccccc2o1 4610640 SWZDFZSWOHYGPJ-UHFFFAOYSA-N 372.597 6.327 0 40 FKAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1F 4650904 UFRDGGUNCVLQQO-UHFFFAOYSA-N 356.466 5.002 0 40 FKAB c1ccc(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4726511 PPBYIXBFCZFOTR-UHFFFAOYSA-N 366.529 6.912 0 40 FKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@@H]2c1cccc2ccccc12 4788354 GEPYGDSDXRTPJA-YBGOQADZSA-N 374.480 6.003 0 40 FKAB CCc1ccc(-c2nc(-c3cc4ccc(O)cc4oc3=O)sc2C)cc1 4996466 PBEAWGGTBCCKCR-UHFFFAOYSA-N 363.438 5.160 0 40 FKAB CCCCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 5055141 FBEYXGNZLMEWKQ-UHFFFAOYSA-N 368.550 5.844 0 40 FKAB O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1ccccc1F 5867418 NRSFGFLYHJOUKQ-UHFFFAOYSA-N 358.372 5.419 0 40 FKAB CC[C@H](C)c1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1 6294604 NHWPTAJVBUSNSQ-NSHDSACASA-N 356.516 5.112 0 40 FKAB CC(C)CSc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 6386796 MYYWWUMNVFQHCF-UHFFFAOYSA-N 365.329 6.140 0 40 FKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3Cl)o2)C1=O 6635488 PDJRVJPGZOOMBS-WJDWOHSUSA-N 361.850 5.436 0 40 FKAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)c1nnc(-c2ccccc2)o1 7816227 DQVZIRUTSLHTSR-SNVBAGLBSA-N 373.890 5.853 0 40 FKAB CCCC[C@H](CC)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 8714177 NMMAFUVEJVIXHG-INIZCTEOSA-N 371.908 5.517 0 40 FKAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccc(C)c2)CC3=O)cc1 10156611 NEOWYXOFPZTDGH-GOSISDBHSA-N 357.457 5.058 0 40 FKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CCCC5)CCCCCC3)c1 12631834 ABVNWNJLMLZVML-UHFFFAOYSA-N 361.554 6.810 0 40 FKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 13616544 YXKDJWQNNHHRJR-FXAWDEMLSA-N 366.873 5.644 0 40 FKAB CCCOc1ccc(C(=O)Nc2ccc(OCCC)c3ncccc23)cc1 15840943 RRZSRSMYPKMYQJ-UHFFFAOYSA-N 364.445 5.065 0 40 FKAB Cc1cccc2nc(CSc3nc(-c4ccc(Cl)cc4)cs3)cn12 16362510 MMVYSIOACHJKDZ-UHFFFAOYSA-N 371.918 5.712 0 40 FKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccccc3)n2)cc1 17075916 GCSNUYFYKNZOQJ-UHFFFAOYSA-N 370.452 5.283 0 40 FKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 20455245 UKWNDQVFMIKZTG-OAHLLOKOSA-N 357.759 5.155 0 40 FKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C 21146942 MCTFBCTXPZLFLE-UHFFFAOYSA-N 371.440 5.108 0 40 FKAB CN(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H]1CCCc2ccccc21 29259159 ABPYGPFCRXHUNN-QHCPKHFHSA-N 367.448 5.048 0 40 FKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3C)o2)cc1 30808379 ILKFMUHPZYKSCS-UHFFFAOYSA-N 355.821 5.381 0 40 FKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 30860919 SZSJSLIFWYCYEV-LADGPHEKSA-N 373.496 5.367 0 40 FKAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccccc1F 35647281 DJPWRNGDTBAYQK-VGOFMYFVSA-N 367.232 5.024 0 40 FKAB CCn1c2ccccc2c2cc([C@@H]3NCCc4c3[nH]c3ccccc43)ccc21 38330958 ASSWMQPRKRHWSP-DEOSSOPVSA-N 365.480 5.531 0 40 FKAB COc1ccc(NC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1 40158458 TVPOHTQEEJIKCO-INIZCTEOSA-N 361.445 5.512 0 40 FKAB C[C@@H](Nc1ccc(NC(=O)NCc2ccco2)cc1Cl)c1ccccc1 58017473 BXCRGRQKASBVNG-CQSZACIVSA-N 369.852 5.428 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCCC[C@H]1Cc1ccccc1 58177682 DWASPQKIIGCNDG-NRFANRHFSA-N 364.533 5.154 0 40 FKAB CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215697 VTFLRMYIGAHHSN-LJQANCHMSA-N 373.541 5.313 0 40 FKAB O=C(Nc1ccnn1Cc1cccc2ccccc12)C1=C(Cl)CCCC1 84598510 HTSPOMZQXUAQOC-UHFFFAOYSA-N 365.864 5.090 0 40 FKAB CCCC/N=c1/scc(-c2ccc(Br)cc2)n1CCCC 100316186 XVCZAJKRKGVUHX-HTXNQAPBSA-N 367.356 5.480 0 40 FKAB O=C(c1c[nH]c2ccccc12)N1CCS[C@@H](c2ccccc2Cl)CC1 206993075 WEPWCHALWYAZME-LJQANCHMSA-N 370.905 5.142 0 40 FKAB Cc1ccccc1[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CCS1 219271966 NTBASVYQKZBKBO-FCSDKFEESA-N 369.574 5.218 0 40 FKAB CCc1ccc(CC)c(CNC(=O)CSCc2cccc(Cl)c2)c1 225579305 OFEIKWBQPYHKKL-UHFFFAOYSA-N 361.938 5.014 0 40 FKAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225823091 OXWXAZWZYOKMAU-QFIPXVFZSA-N 357.494 5.408 0 40 FKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 409110065 QPCAHEAPLNWDQY-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1 409113537 GSJPJRMVAMZPDY-UHFFFAOYSA-N 369.867 6.233 0 40 FKAB CCc1ccccc1NCc1ccccc1OCc1cccc(Cl)c1 409118450 QFMIJEKFACPANR-UHFFFAOYSA-N 351.877 6.094 0 40 FKAB CC(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409135605 QNDDNMREGYTWNJ-XWPMNIEDSA-N 360.501 5.121 0 40 FKAB Cc1ccccc1C1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CC1 578388824 UNFBVODYMKXEBF-UHFFFAOYSA-N 358.413 5.213 0 40 FKAB C[C@@H](C(=O)NCCC1=CCCCC1)c1cccc(C(=O)c2ccccc2)c1 682948 ZERPSVOQQGFLCD-GOSISDBHSA-N 361.485 5.028 0 40 FKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 859803 DKRAOONUAVGKAT-UHFFFAOYSA-N 352.437 5.771 0 40 FKAB CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2nc1Cl 1367730 FAXDYABYHYLHIR-UHFFFAOYSA-N 356.853 5.037 0 40 FKAB CC(=O)Nc1ccccc1OCc1sc(-c2ccc(Cl)cc2)nc1C 1390463 QIMSPAZCDUQUSR-UHFFFAOYSA-N 372.877 5.309 0 40 FKAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 2251416 DAZMWMLGIUBFIK-UHFFFAOYSA-N 361.832 5.065 0 40 FKAB Cc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 2407868 BRPPIAALYUUSLV-UHFFFAOYSA-N 372.472 5.110 0 40 FKAB Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccccc3Cl)c(C)c2)cc1 3329945 MWVOYEKTJSCFBE-WYMLVPIESA-N 362.856 6.243 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl 3408167 CKGJPSXZASTTIU-ZDUSSCGKSA-N 366.288 5.831 0 40 FKAB Cc1cccc(-c2nc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc3n2)c1 4043159 NQADYZGRIYSBSE-DFBJGRDBSA-N 371.528 6.010 0 40 FKAB CCCCCCc1c(C)c2cc(Cl)c(O[C@@H](C)C(C)=O)cc2oc1=O 5548284 GBRFZXMPTVGIMG-AWEZNQCLSA-N 364.869 5.234 0 40 FKAB Cc1ccsc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 7158713 JBJHTDGWYGYYEE-UHFFFAOYSA-N 366.467 5.711 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(C)ccc3n2)cc1 8471926 HGPLWDDQGZDCDN-UHFFFAOYSA-N 358.485 5.535 0 40 FKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9426270 SBMNMIWCKMVLRC-DEOSSOPVSA-N 366.464 5.790 0 40 FKAB Cc1nc(-c2cccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)c2)cs1 9912369 MSNDMDWCOAEQQH-UHFFFAOYSA-N 361.470 5.469 0 40 FKAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 9935298 DRQNSRLLNJDNBF-OAHLLOKOSA-N 363.848 5.095 0 40 FKAB Cc1nc2sccn2c1-c1nc(-c2cc(Cl)ccc2Cl)cs1 12564389 HAIAEIHOJIURMC-UHFFFAOYSA-N 366.298 5.802 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3ccco3)c2C1)CC[C@@H](C)C4 12610189 QVYMBIMOWWZZOU-ZIAGYGMSSA-N 351.515 6.196 0 40 FKAB O=C(Nc1ccccc1-c1cccs1)c1cc2cc(Cl)ccc2o1 14018524 JXAYDSNEJYURAA-UHFFFAOYSA-N 353.830 6.067 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2ccccc2)c1 14739251 CHCZONQMYWXVTK-UHFFFAOYSA-N 359.469 5.950 0 40 FKAB CSc1cccc(NC(=O)c2sc(COc3ccccc3)nc2C)c1 20427972 KLFIQVOCGISYAS-UHFFFAOYSA-N 370.499 5.005 0 40 FKAB O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccc(OC(F)F)cc1 23162520 QUAMZMKJAGVEPM-KRWDZBQOSA-N 372.396 5.121 0 40 FKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29484045 HTPSAVZYBUWONZ-JOCHJYFZSA-N 364.533 5.491 0 40 FKAB CC(C)c1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c(O)c(C(C)C)c1 32721306 CVFPEJDSCSJQOZ-AWEZNQCLSA-N 357.416 5.054 0 40 FKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc3ncccc23)cc1 40047356 OSRFJIZXUQBIIS-QFIPXVFZSA-N 360.457 5.001 0 40 FKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C(C)C 40948721 PLSRGNIPKHVLJH-DHZHZOJOSA-N 374.278 5.233 0 40 FKAB Cc1ccc(C)c(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)c1 44165751 GDKZFTWUFQXRKZ-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1SC 44839025 PCJQAPVZNSVZCO-LJQANCHMSA-N 351.471 5.358 0 40 FKAB Cc1ccc2nc(-c3cccc4c(Br)cccc34)sc2c1 45923517 ULRDDSKCTQBXEX-UHFFFAOYSA-N 354.272 6.187 0 40 FKAB CCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 65740815 GHLGEOXVTQTIBD-NTYLBUJVSA-N 370.533 5.740 0 40 FKAB in-vitro CCN(CC)c1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1 67321893 BCDJYJSVVOBYJV-UHFFFAOYSA-N 357.910 6.053 0 40 FKAB Cc1c(NC(=O)c2ccc(F)cc2Br)sc2c1CCCC2 72297882 UCUYWQQEXRRLRW-UHFFFAOYSA-N 368.271 5.089 0 40 FKAB Clc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 90487178 DUWBYNUKPGQYPJ-UHFFFAOYSA-N 355.868 7.477 0 40 FKAB CCn1cc(C(=O)Nc2cnccc2Oc2ccccc2)c2ccccc21 95393478 DYIQUWPWXHQBJE-UHFFFAOYSA-N 357.413 5.101 0 40 FKAB C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102181148 RETFDUUCTYPBBO-ZHPDPMBESA-N 368.329 5.763 0 40 FKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914680 PDFYDMTVIFSSKW-ZXKBGTPZSA-N 372.593 6.401 0 40 FKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(Cl)cc1 219023573 XXRIRGDHSPFIJV-INIZCTEOSA-N 367.876 5.010 0 40 FKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 223019635 BHLAHFWNFWKNSY-INIZCTEOSA-N 372.679 5.751 0 40 FKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(-c2ccccc2)on1 224063661 URSCRLTWWRMARR-UHFFFAOYSA-N 367.619 5.554 0 40 FKAB O=C(O)[C@H](Cc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1 225056421 DVTRIZRGRHXJLG-FQEVSTJZSA-N 352.817 5.082 0 40 FKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 225367541 XKYCFVRKEYEVEO-UHFFFAOYSA-N 362.178 5.584 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C 225378666 QRPLDKUAFDNGGN-CQSZACIVSA-N 350.289 5.420 0 40 FKAB CCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 257315460 VBMFJOMJSUMGMV-IEIRFRATSA-N 350.502 5.889 0 40 FKAB COc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)oc12 408570824 YZSKUPWOKIZBFD-UHFFFAOYSA-N 359.381 5.486 0 40 FKAB Cc1ccc(C)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408619067 FUXVLIIIJMOZAS-UHFFFAOYSA-N 368.889 5.237 0 40 FKAB Clc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409188826 GPKLOYQAKIREQQ-XOKHGSTOSA-N 364.670 5.347 0 40 FKAB O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 712424 INZMTKUSQVYVDQ-HNNXBMFYSA-N 358.677 5.425 0 40 FKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)c(C)cc21 830039 PCYNRQGWCSRCRT-UHFFFAOYSA-N 355.503 5.003 0 40 FKAB COc1ccccc1[C@@H](Nc1ccc(F)cc1)c1c(C)[nH]c2ccccc12 1281095 CBCVZRLKRSZIRJ-HSZRJFAPSA-N 360.432 5.826 0 40 FKAB FC(F)(F)c1cnc(Oc2ccc(-c3csnn3)cc2)c(Cl)c1 1387550 IYNGRCYRKCWPDD-UHFFFAOYSA-N 357.744 5.065 0 40 FKAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1OC 1934621 BPENVIZTVUUUKH-PKNBQFBNSA-N 359.853 5.098 0 40 FKAB Clc1ccc2nc(-c3cccc4ccccc34)cc(-c3ccccc3)c2c1 2066455 RTKFXHPPVZAEDU-UHFFFAOYSA-N 365.863 7.375 0 40 FKAB CC(C)CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 2343261 MXGQFCTYFZPCCF-UHFFFAOYSA-N 372.515 5.062 0 40 FKAB Cc1ccc(OCCCn2c(Cc3ccccc3)nc3ccccc32)cc1 2713376 GDXWFWULLDYHJE-UHFFFAOYSA-N 356.469 5.405 0 40 FKAB Cc1cnc(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)s1 2790683 PXEQURJGBUADJT-UHFFFAOYSA-N 374.821 5.173 0 40 FKAB CC(C)c1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120623 HBCKFPHXVUCAMA-JWQCQUIFSA-N 372.464 5.712 0 40 FKAB COc1ccccc1-c1ccc(SCc2c(F)cccc2Cl)nn1 4356219 XKADKSNSMXBKME-UHFFFAOYSA-N 360.841 5.237 0 40 FKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)o2)N3)C1 4553464 XKBGTQQOAVFWSI-SJKOYZFVSA-N 358.507 5.620 0 40 FKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cccc(Cl)c1 4723187 LWGHNOGLRPAXNJ-UHFFFAOYSA-N 351.943 5.743 0 40 FKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1 4969967 MSLOGWKOJDWHTB-UHFFFAOYSA-N 365.436 5.639 0 40 FKAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCCOC 5524255 QTRKSBZYBWSRBJ-XEDBTPMOSA-N 356.547 5.184 0 40 FKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1 6264061 SVECUHWPHNBWAP-SFHVURJKSA-N 353.506 6.412 0 40 FKAB CC(=O)[C@@H](Sc1nnc(Nc2ccc(C)cc2C)s1)c1ccccc1 6587344 XKYWXDYUMDHDRK-QGZVFWFLSA-N 369.515 5.321 0 40 FKAB c1csc(-c2nnc(SCc3nc4ccccc4s3)n2C2CC2)c1 7763576 AUIPIWDJDAPQDV-UHFFFAOYSA-N 370.528 5.244 0 40 FKAB COc1ccc(NC(=O)c2ccccc2CSc2nc(C)cs2)cc1 8761863 HZLHHBOVCBCXPC-UHFFFAOYSA-N 370.499 5.005 0 40 FKAB C[C@H]1CCCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 10541046 KKCDJWYJDRZODL-HNNXBMFYSA-N 359.922 5.504 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2c1 12864821 VBANLTKSTSHBNA-KGLIPLIRSA-N 369.411 5.108 0 40 FKAB Cc1ccc2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2n1 13946207 CRHFKJYQMRFRPA-UHFFFAOYSA-N 352.437 5.314 0 40 FKAB Cc1ccc(-c2cc(NCc3ccccc3)nc(SCC(C)C)n2)cc1 15859169 BCVFGEIYPIJDIU-UHFFFAOYSA-N 363.530 5.812 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(OC(C)C)c1 19931772 UKKVWMYKNGFXCF-SFHVURJKSA-N 363.910 5.637 0 40 FKAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1SCc1ccccc1 20050128 CXCVNQGCFJGKJC-QFIPXVFZSA-N 373.521 5.786 0 40 FKAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 30857803 CYGXLWZPHOACRL-IERDGZPVSA-N 369.505 5.028 0 40 FKAB Cc1c([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)cccc1C(C)(C)C 30952906 SURFODPNQISRNM-FQEVSTJZSA-N 351.881 5.782 0 40 FKAB CC1(C)C[C@@H](NCC[C@](C)(Cc2ccccc2)c2ccccc2)CCO1 32074023 KLCPIWBXAYSNQW-LADGPHEKSA-N 351.534 5.124 0 40 FKAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc(Cl)c2)o1 32119247 XVZDLEAOFZRTMZ-UHFFFAOYSA-N 355.865 5.155 0 40 FKAB CC(C)Sc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44085363 QJMFVZIERSWULR-UHFFFAOYSA-N 363.313 6.347 0 40 FKAB c1ccc(C[C@@H](c2ccccc2)[C@@H](Cc2ccccc2)c2ccccc2)cc1 51139510 AOEDHVIDHZGXAP-NSOVKSMOSA-N 362.516 7.039 0 40 FKAB Fc1ccc(-c2nc(COc3ccc(Oc4ccccn4)cc3)co2)cc1 58402874 TTZMKPWAPLHMFT-UHFFFAOYSA-N 362.360 5.247 0 40 FKAB CN(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214235 XANCTIXFGMASSP-JOCHJYFZSA-N 371.484 5.217 0 40 FKAB Clc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2cccnc2)n1 72357685 ACMJURPOIXCDRI-QFIPXVFZSA-N 363.892 5.058 0 40 FKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 83261257 GFHOQCXDABGYAL-AOUZBUNXSA-N 360.538 5.166 0 40 FKAB in-vitro O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1nccs1 100919535 RMOJNJBMUDGINL-RKAKKKFESA-N 352.503 5.010 0 40 FKAB Cc1ccc(NC2=C[C@H](c3ccccc3Cl)N(c3ccc(C)cc3)C2)cc1 103753751 NNRSYRWWAQXDLG-XMMPIXPASA-N 374.915 6.514 0 40 FKAB C[C@@H](c1ccccc1F)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CC1 108222368 DOIGADAICXISQQ-ZDUSSCGKSA-N 371.843 5.255 0 40 FKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccccc1Cl 219038277 JRLHRHVJHHXUBY-MRXNPFEDSA-N 367.876 5.010 0 40 FKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccs2)c1 222760401 CPYFFTGVFGIBSB-UHFFFAOYSA-N 373.861 5.384 0 40 FKAB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222907856 URUKXLRKZFDRHA-KRWDZBQOSA-N 353.531 5.233 0 40 FKAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2O1 224376288 LETPEBXYWWMSKC-FIIODCPWSA-N 353.437 5.038 0 40 FKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1cccc(C)c1 224382118 JTNDOWQHNFHQJZ-UHFFFAOYSA-N 361.441 5.225 0 40 FKAB CCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@H](C)C1 225717670 ODEJGTGAUIKRCB-KSFYIVLOSA-N 359.510 5.240 0 40 FKAB CCCO[C@](C)(CC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225732708 OCXLUYBZIOCENM-HSZRJFAPSA-N 369.505 5.416 0 40 FKAB Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCCCC1 226329712 SVULYNANDDWJJI-UHFFFAOYSA-N 365.521 5.117 0 40 FKAB CCC[n+]1cc(Br)cc(-c2nc3cc(C(C)C)ccc3o2)c1 226774821 OXJIJPSZNDIPBW-UHFFFAOYSA-N 360.275 5.078 0 40 FKAB CCCOc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409110712 GCCJMZDKAHYACQ-UHFFFAOYSA-N 367.876 6.533 0 40 FKAB Clc1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 862983 AIUZEHMTSFLZAY-UHFFFAOYSA-N 367.257 5.248 0 40 FKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 2179084 XUEUPWXQYJFJGU-UHFFFAOYSA-N 370.543 5.137 0 40 FKAB FC(F)(F)c1cc(Cl)ncc1-c1ncc(-c2cccc(Cl)c2)o1 2380541 XHAYAKQCUJFLPA-UHFFFAOYSA-N 359.134 5.729 0 40 FKAB COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)C2CC2)cc1 3219894 HQLBPSSTWAUUMM-AWEZNQCLSA-N 358.869 5.181 0 40 FKAB FC(F)Oc1ccc(Cl)cc1CSc1nc2ccccc2s1 3235364 GEZWSLBSIPPBRL-UHFFFAOYSA-N 357.834 5.843 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3237329 QGOHRDVFXJNDIT-WWDZGPRUSA-N 373.537 5.534 0 40 FKAB CC(=O)N(CC[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1)Cc1ccccc1 4073121 MSYWYAYYBZLWRC-DNQXCXABSA-N 373.581 5.683 0 40 FKAB biogenic C[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4477928 AQYWHUJCPVLQLO-IFKAHUTRSA-N 371.524 5.414 0 40 FKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NCCC2=CCCCC2)cc1 4691417 CUXUZWWJJVOJNX-GOSISDBHSA-N 370.537 5.172 0 40 FKAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1C(F)(F)F 5825593 YCHXHRBDYOFWTG-UHFFFAOYSA-N 374.387 5.180 0 40 FKAB Cc1cc(C)c2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 6273207 PJQOQHXQZGAKLK-UHFFFAOYSA-N 354.519 5.458 0 40 FKAB O=C(Nc1ccccc1F)c1ccc(-c2cc(Cl)ccc2Cl)o1 6884615 HABMGTMDJCPDIB-UHFFFAOYSA-N 350.176 5.645 0 40 FKAB C[C@H]1CCc2c(sc3nc(-c4ccccc4F)cc(-c4ccco4)c23)C1 7148302 MSUWYFCUACPUBX-ZDUSSCGKSA-N 363.457 6.487 0 40 FKAB O=C(OCc1ncc(-c2ccccc2)o1)C(c1ccccc1)c1ccccc1 7481839 LQTBFANPUDAHER-UHFFFAOYSA-N 369.420 5.217 0 40 FKAB Clc1ccc(/C=C/c2cccc(/C=C/c3ccc(Cl)cc3)n2)cc1 8626521 VRAQQNXZEHMOFY-VOMDNODZSA-N 352.264 6.729 0 40 FKAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccccc3Cl)ccc2c1 12773332 KIXZOIWCPHNXCG-OAHLLOKOSA-N 367.876 5.264 0 40 FKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1Cl 14372816 DVBDBTMOTDLTOV-UHFFFAOYSA-N 367.901 5.801 0 40 FKAB Clc1ccccc1/C=C1\c2ccc(Br)cc2-c2cccc[n+]21 16931295 ZMAHDSWEZLPKAV-YBFXNURJSA-N 369.669 5.417 0 40 FKAB CN(C(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 22258360 UNMGCUWYVIBREC-UHFFFAOYSA-N 351.833 5.196 0 40 FKAB Cc1ccc(-c2nc(CN3CCC(C(=O)c4ccccc4)CC3)co2)c(C)c1 24759122 WTRYMPWIMPLIAJ-UHFFFAOYSA-N 374.484 5.053 0 40 FKAB CCOC(=O)c1cccc(Nc2ccnc3ccc(C(F)(F)F)cc23)c1 40175526 YLCUZTJTPVRTIE-UHFFFAOYSA-N 360.335 5.174 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccc(C)c(C)c3)ccc21 51354157 IIRWIGZSXYOLBI-UHFFFAOYSA-N 357.457 6.075 0 40 FKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 59351245 QVIRYJRYICUUSU-ROUUACIJSA-N 353.506 5.246 0 40 FKAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 65879003 YFZBIKYHMQAAMD-UHFFFAOYSA-N 372.468 5.088 0 40 FKAB COCc1c(Cl)cccc1NC(=O)c1cc(F)c(Cl)cc1Cl 89420302 XNUPOLDXNSOKNB-UHFFFAOYSA-N 362.615 5.185 0 40 FKAB CC(C)c1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 102048045 RPBBEQIYCMNDPV-IBGZPJMESA-N 350.853 5.111 0 40 FKAB OCc1ccccc1NCc1nc(-c2cc(Cl)ccc2Cl)cs1 157725101 KYCBUNPORIMNAR-UHFFFAOYSA-N 365.285 5.221 0 40 FKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 214160708 GGYIESJVQYNRLA-OQLLNIDSSA-N 364.253 5.230 0 40 FKAB O=C(c1ccc(Cl)s1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219323939 QAAOYVORISVCQV-ZDUSSCGKSA-N 373.877 5.000 0 40 FKAB CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 248231344 KYBFXPNLJQXJLP-DUUNQALGSA-N 374.528 5.511 0 40 FKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 248339523 SZKXDQCXMWPTMG-WNOJEFIBSA-N 361.485 5.387 0 40 FKAB CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccccc1 409109724 JWUQRBDIUGOEFM-UHFFFAOYSA-N 361.485 5.893 0 40 FKAB FC(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 1857793672 BWFNXNDRKVXUDG-UHFFFAOYSA-N 360.407 5.661 0 40 FKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccs1 709062 CXFZABKKHWLPPR-UHFFFAOYSA-N 371.483 5.214 0 40 FKAB CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 837658 NGAQEZICEJWIRW-UHFFFAOYSA-N 369.298 5.577 0 40 FKAB Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(Cl)nc12 1367580 JLTJOMGCMJIWDL-UHFFFAOYSA-N 368.864 5.375 0 40 FKAB COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(O)cc1)[C@H]2c1ccccc1 1611138 YHYXTSRIFWSWTK-GOTSBHOMSA-N 360.453 5.488 0 40 FKAB Clc1ccc(C2=N[C@@H](c3ccccc3)/C(=C/c3ccccc3)S2)cc1 1859148 CFYZAPUGOWEMDG-LDVBQKTRSA-N 361.897 6.616 0 40 FKAB Clc1cccc(Cl)c1C1N(c2ccccc2)CCN1c1ccccc1 2053203 PMUYRTNQSVZSIR-UHFFFAOYSA-N 369.295 6.019 0 40 FKAB CCCCCCCCCCn1c(O)c(C(=O)OCC)c(=O)c2ccccc21 2272739 KPITYNFEEHTOJW-UHFFFAOYSA-N 373.493 5.025 0 40 FKAB O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)c1ccc(Cl)cc1Cl 3165813 XTHOLULPJKNCNL-SJKOYZFVSA-N 352.261 5.118 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccc(F)cc2)(c2ccc(F)cc2)CCO1 4094006 DBJXADIIVXDBFH-DHIUTWEWSA-N 373.487 5.362 0 40 FKAB CC1(C)C[C@@H](n2c(-c3ccccc3)nc(=S)c3c2CCCC3)CCO1 5347960 MATXANJZUFSWTK-INIZCTEOSA-N 354.519 5.288 0 40 FKAB O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1cccnc1Cl 5365960 VYKVIGIQILEFSK-UHFFFAOYSA-N 373.239 5.073 0 40 FKAB Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5459202 IPWMWDCHILCMCG-PZJWPPBQSA-N 359.860 5.836 0 40 FKAB Cc1cc2occ(CC(=O)NCc3cccc(Cl)c3)c2cc1C(C)C 5938160 JFNVXZXKJVMGRW-UHFFFAOYSA-N 355.865 5.377 0 40 FKAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc21 8091839 CYWCTDHBSBSRDD-LFIBNONCSA-N 370.235 5.770 0 40 FKAB COc1cc(CNCc2cccs2)ccc1OCc1ccccc1Cl 8472193 BBDMTJOOXHOQLR-UHFFFAOYSA-N 373.905 5.279 0 40 FKAB Cc1sc2nc(-c3cccs3)nc(N[C@@H](C)c3cccnc3)c2c1C 8706892 NHUFVIFJTUKXAU-LBPRGKRZSA-N 366.515 5.605 0 40 FKAB Cc1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2F)n1 9133980 SIUQOEGISQBKRB-SFHVURJKSA-N 355.413 5.085 0 40 FKAB COc1ccccc1-c1nnc(SC(c2ccccc2)c2ccccc2)o1 9516328 NPOKMVVLQWRVLG-UHFFFAOYSA-N 374.465 5.627 0 40 FKAB Cc1cccc2cc(CNc3cc(C(F)(F)F)ccc3Cl)c(=O)[nH]c12 12492361 LGJZDEXSQVGDJQ-UHFFFAOYSA-N 366.770 5.121 0 40 FKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12558689 RVAYDIBWCICNHH-MRXNPFEDSA-N 371.912 5.078 0 40 FKAB O=C(NCC12CC3C[C@H](CC[C@H](C3)C1)C2)c1ccc(Cl)cc1Cl 13644971 DUZBJZBCURKBHL-QCDJMGEHSA-N 352.305 5.330 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1Cl 14035502 TVYHQNBIYYDLDK-UHFFFAOYSA-N 351.833 5.480 0 40 FKAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(C(C)C)cc2)on1 19120902 IOFOJJBCDASHQU-HXUWFJFHSA-N 364.493 5.224 0 40 FKAB CN(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 20047009 GFWFJBWAZDZKAF-UHFFFAOYSA-N 354.302 5.134 0 40 FKAB CCc1cccc(C)c1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245758 OPYGLZUCFJOEAP-UHFFFAOYSA-N 369.465 5.457 0 40 FKAB O=C(O)[C@H](Sc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 30822769 DBJKLFCZVIKJET-OAHLLOKOSA-N 361.875 5.382 0 40 FKAB CC(C)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 39860680 CJQFQZHLJVBQNE-BOPFTXTBSA-N 357.862 5.704 0 40 FKAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 40144885 BHHLRZLOXGMDDC-SNVBAGLBSA-N 368.308 5.053 0 40 FKAB Cc1[nH]c2ccccc2c1C(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 57378630 NEFVCGXCFRYHTD-GFCCVEGCSA-N 360.379 5.029 0 40 FKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 59244491 OMSFJXMNQOFWSI-HXUWFJFHSA-N 363.482 5.634 0 40 FKAB C[C@@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 84660981 KKDYDEIIPPYTRI-IEZBTEQYSA-N 368.889 5.354 0 40 FKAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc(C)c(C(F)(F)F)c3)o2)cc1 89642603 BGNHPJGIXVFROE-ZDUSSCGKSA-N 361.367 5.545 0 40 FKAB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 100668271 SFABEZWIZFWLBW-QFIPXVFZSA-N 353.425 5.101 0 40 FKAB CC1(C)C[C@@H]2C[C@](C)(CN2c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 100910915 GWWNHPTXJAWKAF-XCLFUZPHSA-N 354.885 5.170 0 40 FKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C(C)C)c3C)N21 222692864 MARZADRDSJRWAX-LSTHTHJFSA-N 368.550 5.060 0 40 FKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c3c(cccc13)CC2 224442824 VPBDGGWOLXPYLJ-IBGZPJMESA-N 365.860 5.388 0 40 FKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSC1CCCCC1 225326087 LZKASKYNPCVTJD-UHFFFAOYSA-N 360.350 5.108 0 40 FKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 408622690 QOKDXLRTCMTEEX-SFHVURJKSA-N 365.517 6.265 0 40 FKAB Cc1nc(-c2ccccc2)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 590242755 BBCQGZGWNXOFIQ-UHFFFAOYSA-N 352.503 5.273 0 40 FKAB CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238321 GDNCPMQDMBBSRP-SZKCUPFNSA-N 374.521 5.018 0 40 FKAB Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br 834122 SCKZTNVBLLTZRP-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cc1C 997010 VWBQBHAUFRFKSZ-SFHVURJKSA-N 358.485 5.533 0 40 FKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCCC4)ncnc32)c1 1447697 UCZZFKONPCZAIE-UHFFFAOYSA-N 368.484 5.386 0 40 FKAB CCCC[C@@H](CC)C(=O)[C@](CCN(C)C)(c1ccccc1)c1ccccn1 1675624 UGVNESXSYFEYCH-HYBUGGRVSA-N 366.549 5.105 0 40 FKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccccc3C)cc12 1817710 FMIMVBMXDXWUNV-UHFFFAOYSA-N 366.457 5.794 0 40 FKAB biogenic CC(C)Oc1ccc([C@@H](CCN[C@H](C)c2ccccc2)c2ccccc2)cc1 1831453 MQORINLVPMKXGS-RLWLMLJZSA-N 373.540 6.347 0 40 FKAB biogenic COc1ccc(-c2ccc3c4ccccc4c(C(=O)C(F)(F)F)c-3o2)cc1 2597590 WTRKQDSWADLEEB-UHFFFAOYSA-N 370.326 5.958 0 40 FKAB CCc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4361220 ZZMAYUGCYSCZQN-SIKLNZKXSA-N 360.482 5.553 0 40 FKAB O=C(Nc1cc(F)ccc1F)Nc1cc(C(F)(F)F)ccc1Cl 4829088 HYKVCGFQPLKCRG-UHFFFAOYSA-N 350.674 5.281 0 40 FKAB Cc1csc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 5101406 IAIUBCRBFFFHLA-MRXNPFEDSA-N 358.463 5.063 0 40 FKAB CCc1ccc(-c2cc(-c3nnc(S)n3CC)c3ccccc3n2)cc1 5432062 UIZNYRPLPYBKCI-UHFFFAOYSA-N 360.486 5.031 0 40 FKAB CCCCCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)cc1 6398550 UFEYTCYXQPFBOH-KZIRBZLESA-N 351.490 5.455 0 40 FKAB O=C(Nc1ccc(Br)cc1Cl)C12CC3CC(CC(C3)C1)C2 10824855 FRNKHQSNVOCLHL-UHFFFAOYSA-N 368.702 5.257 0 40 FKAB COc1ccc(OCc2nc3ccccc3n2C/C=C\c2ccccc2)cc1 11666734 UNGADPYDPADQMY-YFHOEESVSA-N 370.452 5.337 0 40 FKAB Cc1ccc2[nH]c(SCc3nc4ccccc4c(C)c3Cl)nc2c1 12620054 QIKUAZRVDXIEGG-UHFFFAOYSA-N 353.878 5.674 0 40 FKAB Cc1nc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n(C)c2)cs1 16200017 WGNYOSOGSRVMDS-UHFFFAOYSA-N 366.273 5.016 0 40 FKAB CC(C)COc1ccccc1NCCOc1ccc(Cl)cc1Cl 19738297 JGXZVCHTYMDQST-UHFFFAOYSA-N 354.277 5.519 0 40 FKAB COc1cc2c(cc1OC)[C@H]([C@H](c1ccccc1)c1ccc(C)cc1)NCC2 19853635 DDGCLVTZEWOIMF-JWQCQUIFSA-N 373.496 5.031 0 40 FKAB CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 20451693 FVIAOANOXXJRMP-ZZKIFARHSA-N 351.490 5.273 0 40 FKAB c1ccc(-c2cc(NC3CCCCC3)n3ncc(-c4ccccc4)c3n2)cc1 27585967 MZMOMQWVFCVBHW-UHFFFAOYSA-N 368.484 5.808 0 40 FKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(F)ccc1Br 30315776 LMQJGLZICAPFNK-SNVBAGLBSA-N 370.649 5.075 0 40 FKAB O=Cc1cc(Cl)cc(Cl)c1OCc1c(Cl)cccc1Cl 35662250 WEVJSLPWBRBMBN-UHFFFAOYSA-N 350.028 5.692 0 40 FKAB Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccccc1 38756139 AQLKXKKWJFFYFN-YKSBVNFPSA-N 373.496 5.285 0 40 FKAB Cc1cccc2sc(Nc3nc4cc(-c5ccccc5)ccc4o3)nc12 57352850 CAAWVQLMZRWDHS-UHFFFAOYSA-N 357.438 6.157 0 40 FKAB C[C@@H](CC(=O)O[C@H](c1ccncc1)c1ccc(F)cc1)c1ccc(F)cc1 58161572 KFWPKKMSWCBNTJ-NYHFZMIOSA-N 367.395 5.186 0 40 FKAB C[C@H]1CCN(C(=O)C[C@H]2C=CCC2)c2cc(C(F)(F)F)ccc2S1 72270547 PVHBZTJRCCPDJR-STQMWFEESA-N 355.425 5.279 0 40 FKAB Cc1cc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c(C)c1Cl 72427551 HLXFUEGODUJYCF-UHFFFAOYSA-N 363.844 6.037 0 40 FKAB Cc1ccc(SCc2cccc(C(=O)Nc3nc(C)cs3)c2)c(C)c1 89614503 BVLDTYROLYYRIX-UHFFFAOYSA-N 368.527 5.613 0 40 FKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3cccs3)oc12 101192204 DSOHRAGWVDMIPF-UHFFFAOYSA-N 361.422 5.082 0 40 FKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CC=C2CCc1ccccc1 118915040 VBTNPIPMZUSOJR-ZFWJRURNSA-N 360.585 7.364 0 40 FKAB biogenic C[C@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1 224940808 NOTKDWYAKGUWRJ-MRXNPFEDSA-N 351.877 5.031 0 40 FKAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl 225527773 QLAMAIJCXRSAPI-UHFFFAOYSA-N 364.272 5.453 0 40 FKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)NC1CCCCC1 225756669 UAJASUYLZLFJIP-UHFFFAOYSA-N 374.937 6.087 0 40 FKAB C[C@@H]1[C@H]([C@]2(C)CC[C@@H]3[C@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl 252693550 DYGSLTDGTPXLQY-FDOIHOCBSA-N 355.305 5.524 0 40 FKAB biogenic C[C@@H](CC(=O)c1ccc(COc2cc(F)ccc2F)cc1)CC(C)(C)C 575358401 SEEFVPPJZXNLPE-HNNXBMFYSA-N 360.444 6.189 0 40 FKAB CCCOc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OC 2070704 HOAZCEBVUMYXQR-LJQANCHMSA-N 361.441 5.111 0 40 FKAB CCc1nc(Nc2ccc(OC)c(Cl)c2)c2oc3ccccc3c2n1 2434725 MHCYELIPKGJZST-UHFFFAOYSA-N 353.809 5.344 0 40 FKAB CCCC(=O)Nc1ccc(OCc2cccc3ccccc23)c(C(C)=O)c1 2656123 VJPBCBDASHBDGX-UHFFFAOYSA-N 361.441 5.360 0 40 FKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccccc2)n1 2733353 OYOZMGONLMAXRU-UHFFFAOYSA-N 356.425 5.224 0 40 FKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1Br 2780828 FOAQQQXSMHXFKY-UHFFFAOYSA-N 360.034 5.113 0 40 FKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 2972375 JWEHADYAQYXCEO-UHFFFAOYSA-N 359.454 5.227 0 40 FKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc2ccccc2c1 4079141 HNAOHUCSGBDKIL-UHFFFAOYSA-N 371.465 5.025 0 40 FKAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)OCCCC 4411085 UJMGZZUDBFIODG-NRFANRHFSA-N 356.591 6.562 0 40 FKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)NC12CC3CC(CC(C3)C1)C2 4646370 CIAGIJFANSAVDT-UHFFFAOYSA-N 371.481 5.040 0 40 FKAB COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Cl 4749110 UDDNREKATUQWJK-UHFFFAOYSA-N 351.789 5.500 0 40 FKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)c1 5033317 HRTOZWYAIZWZIB-UHFFFAOYSA-N 353.805 5.363 0 40 FKAB CCOc1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1 5127323 JHZXPAYJWWABJS-UHFFFAOYSA-N 363.486 5.125 0 40 FKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(O)c2)N3)C1 5838934 KLPBWGQWYSJOKJ-SJCJKPOMSA-N 356.491 5.034 0 40 FKAB CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(C)cc1C 5952276 CRBHDZRXNFNYMD-UHFFFAOYSA-N 351.475 5.027 0 40 FKAB O=C(NCc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 6284651 SFHRXADXAJQABC-UHFFFAOYSA-N 370.279 5.442 0 40 FKAB CCCOc1ccccc1NC(=O)c1ccccc1COc1ccccc1 6589857 KGJUEKXVZSKXNF-UHFFFAOYSA-N 361.441 5.307 0 40 FKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2ccccc12 8072066 QLWACLWJICRBBN-UHFFFAOYSA-N 370.408 5.246 0 40 FKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C)cc2C)cc1 8325662 GESQJSWDOLJSOM-UHFFFAOYSA-N 350.487 5.225 0 40 FKAB C[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 8534260 JIEPFEBUACUBSL-KRWDZBQOSA-N 351.877 5.770 0 40 FKAB Cc1nc(-c2ccccc2)c(CC(=O)N[C@H](c2cccs2)C(C)C)s1 12200402 IUYSSZLDANDDGX-IBGZPJMESA-N 370.543 5.236 0 40 FKAB OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)c1cccnc1 12653753 VRRLMPOKGVTUDG-XMMPIXPASA-N 351.449 5.150 0 40 FKAB O=C(Nc1cc(F)ccc1F)[C@H](Sc1ccccc1)c1ccccc1 12790997 KEZHXJITEVZXNM-LJQANCHMSA-N 355.409 5.437 0 40 FKAB CCc1cccc(CC)c1NC(=O)Cc1nc(-c2cccs2)oc1C 12806579 WYLVJLLBUKTYQQ-UHFFFAOYSA-N 354.475 5.018 0 40 FKAB O=C(Nc1cccc(Cl)c1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 13142470 RRSLLQLMRWNJBR-IGQOVBAYSA-N 358.696 5.135 0 40 FKAB Cc1ccc2[nH]c(=O)c(CNc3ccc(OCc4ccccc4)cc3)cc2c1 13561358 ZNAJIFGKDHAHCE-UHFFFAOYSA-N 370.452 5.028 0 40 FKAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 13758148 UDERETUPSOSGOU-UPVQGACJSA-N 370.452 5.246 0 40 FKAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1C 15838287 RVRGXLLDUZTSNH-QFIPXVFZSA-N 371.436 5.010 0 40 FKAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2ccccc2C)n1 18193930 QMNRUSUZBWWGJU-UHFFFAOYSA-N 367.452 5.408 0 40 FKAB C[C@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)c1ccccc1 19646397 MOCUYYNLZOLDIE-OLZOCXBDSA-N 368.527 5.180 0 40 FKAB Clc1cccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 20195584 JJBHFSBKIXDJGH-UHFFFAOYSA-N 370.692 5.724 0 40 FKAB OC1=NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1 20522823 KPEZRKHEYGCWDW-DHDCSXOGSA-N 361.875 5.248 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)c(F)c1 24351435 JDPPTIRIRMPJRQ-UHFFFAOYSA-N 371.795 5.532 0 40 FKAB COc1cccc(N(Cc2cccs2)C(=O)c2ccc(Cl)cc2)c1 28286764 KLLDEWRGDFESBT-UHFFFAOYSA-N 357.862 5.257 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc(C)c1Cl 40913184 BHOZSOWSEJZKPZ-MRXNPFEDSA-N 359.897 5.795 0 40 FKAB FC(F)(F)c1ccc(CN2CC[C@H](c3nc4ccccc4s3)C2)cc1 49168965 VKKAIPKMPSFGOJ-AWEZNQCLSA-N 362.420 5.305 0 40 FKAB biogenic,in-vitro Cc1sc2nc(-c3cc(F)cc(F)c3)[nH]c(=O)c2c1-c1ccc(F)cc1 63836979 YJAMBAQXBWIDDT-UHFFFAOYSA-N 372.371 5.044 0 40 FKAB CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215876 WXOQAVYVDKCOJX-IBGZPJMESA-N 367.493 5.312 0 40 FKAB OC1=NC(=S)S/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 73159552 HIZCSPFDIBZVHG-GHXNOFRVSA-N 355.362 5.295 0 40 FKAB CC(C)c1nc([C@@H](C)NCc2coc(-c3cccc(Cl)c3)n2)cs1 95941317 AQDIMZNCUJFVDT-GFCCVEGCSA-N 361.898 5.426 0 40 FKAB Cc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1Cl 106972299 LNCYVLSLRVLAFK-UHFFFAOYSA-N 355.840 5.979 0 40 FKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1C(C)C 223264744 LLEVGYXPPLJULM-SIFUEBAJSA-N 371.908 5.671 0 40 FKAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OCC 224726306 WEFCHSBIZXGDJE-UHFFFAOYSA-N 361.869 5.308 0 40 FKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COCC(C)C 224735839 NNNLWYSEQNTSRX-UHFFFAOYSA-N 355.478 5.127 0 40 FKAB CC(C)Oc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225541854 OWNFFUZHTGFIEY-UHFFFAOYSA-N 362.926 5.046 0 40 FKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 225669886 CYXFWGBVLWRALO-LJQANCHMSA-N 373.496 6.191 0 40 FKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC[C@@]43C)[C@H]1CC=C2CCc1ccccc1 245240915 VBTNPIPMZUSOJR-ZKXBRZFRSA-N 360.585 7.364 0 40 FKAB COc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 252676453 XCRPSPAVWHTJOS-UHFFFAOYSA-N 372.493 5.506 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1Oc1ccccc1 408681601 YLNXLXSZLJQNSN-OAQYLSRUSA-N 361.441 5.583 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccccc2)cc1 409096662 KVAQWADAYKEPIY-STZFKDTASA-N 359.450 5.351 0 40 FKAB Cc1ccc(C)c(NCc2c(OCc3ccccc3)ccc3ccccc23)c1 409120481 WFIIZICQGSEBRR-UHFFFAOYSA-N 367.492 6.648 0 40 FKAB O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 409233750 WQKNMWHLRFGCJO-XSFVSMFZSA-N 374.827 5.104 0 40 FKAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC(=O)c3ccccc32)o1 670789674 UWGVKLFTYMXTIC-PMACEKPBSA-N 365.473 5.046 0 40 FKAB CC(=O)Nc1cc(N)c(C=Cc2ccccc2)cc1/C=C/c1ccccc1 2049238487 DQPFZYHALGYMAH-UAGOSZMUSA-N 354.453 5.568 0 40 FKAB COc1ccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C)cc1 881265 HOYXHGISTOVSAR-UHFFFAOYSA-N 351.471 5.144 0 40 FKAB Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1cccc(-c2ccccc2)c1 1156101 DZPKWVCGQDTVHX-UHFFFAOYSA-N 358.397 5.256 0 40 FKAB CC[C@H](O)C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C 1412565 GTZVMLBDLMWVMM-GHTZIAJQSA-N 362.494 5.763 0 40 FKAB Cc1c(-c2ccccc2)c(-c2ccc(OCCN(C)C)cc2)n2ccccc12 1650441 AGCVPOVKAQCEKZ-UHFFFAOYSA-N 370.496 5.522 0 40 FKAB Cc1ccc(C)c(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1 2783580 IZBCDRRCGSZUSB-UHFFFAOYSA-N 374.553 5.812 0 40 FKAB COc1ccc(-c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)cc1 2955316 ZFSYDARNSCWEKT-UHFFFAOYSA-N 362.816 5.733 0 40 FKAB Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(-c2ccccc2)cc1 3354668 QQZFPDGSGYQWIZ-UHFFFAOYSA-N 369.420 5.674 0 40 FKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccc(C(F)(F)F)cc1 4678664 MGXXDAXBURKAEH-UHFFFAOYSA-N 365.786 5.371 0 40 FKAB CCC(CC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 4945035 MSKIHGIHMIJKBT-UHFFFAOYSA-N 350.871 5.029 0 40 FKAB CN(C)Cc1cc2ccccc2cc1C(O)(c1ccccc1)c1ccccc1 4975102 KAGLERNGBFSYRF-UHFFFAOYSA-N 367.492 5.186 0 40 FKAB Clc1cccc(Cl)c1CSc1nccc(/C=C/c2ccccc2)n1 5515257 HBDMKQRHRLSPJS-MDZDMXLPSA-N 373.308 6.246 0 40 FKAB C=Cc1ccc(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 5824476 CLCAOWVPPHNIER-UHFFFAOYSA-N 370.404 5.388 0 40 FKAB biogenic COc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1O 5929850 RSPLREVDPIWJNY-DUXPYHPUSA-N 362.212 5.132 0 40 FKAB c1nc(NCC23CC4CC(CC(C4)C2)C3)c2c3c(sc2n1)CCCC3 6110618 PNOKVDWINCHGOK-UHFFFAOYSA-N 353.535 5.198 0 40 FKAB CCCOc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 6942656 OJGIYWJMEDPOCO-UHFFFAOYSA-N 360.284 6.548 0 40 FKAB O=C(/C=C/c1cccs1)Nc1nc(-c2cc3ccccc3o2)cs1 7599224 YOWROJIKGHZQCC-BQYQJAHWSA-N 352.440 5.270 0 40 FKAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl 8161665 AHDHZHYUDSOXML-UHFFFAOYSA-N 361.681 5.464 0 40 FKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)sc1Cl 8924102 WGYLWZJNKXOTPP-UHFFFAOYSA-N 362.281 5.574 0 40 FKAB CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 9141080 KNOSVLXRVBYUDI-UHFFFAOYSA-N 363.244 5.786 0 40 FKAB O=C(OCc1ccccc1Cl)C1c2ccccc2Oc2ccccc21 16449809 IPAMQEJFKWVJSN-UHFFFAOYSA-N 350.801 5.321 0 40 FKAB CCc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc1 27744922 PVGQFMOCNVBKLH-UHFFFAOYSA-N 370.452 5.546 0 40 FKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1C1CCCC1 59094280 IZTYNWNTMGOEEP-UHFFFAOYSA-N 370.905 5.457 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl 64982317 PVNPYYPOYBJVID-INIZCTEOSA-N 372.896 5.045 0 40 FKAB Clc1ccc(CNc2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 70461599 FLDDEZJXWYWYJY-UHFFFAOYSA-N 369.251 6.414 0 40 FKAB OC1=C[C@@]2(CCC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccs3)=NN12 103857858 WBVGZBKSFSZWGU-VQIMIIECSA-N 372.877 5.267 0 40 FKAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC 224413854 NVPVSYTXKMRCTQ-UHFFFAOYSA-N 368.260 5.181 0 40 FKAB CCOc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225262481 LOGAKAAFKCRRBK-UHFFFAOYSA-N 371.440 5.189 0 40 FKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225514164 ABGJQQAKMXMQII-UHFFFAOYSA-N 351.490 5.461 0 40 FKAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 225522142 ACFRMQDQRWHQEC-UHFFFAOYSA-N 361.844 5.328 0 40 FKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 226266006 CMAGJRVIVDFFQE-INIZCTEOSA-N 351.494 5.023 0 40 FKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609816 PDFYDMTVIFSSKW-DGVSVCMESA-N 372.593 6.401 0 40 FKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 408901258 CRROJMGDXUHGPZ-QFGUUYLXSA-N 353.443 5.105 0 40 FKAB CCc1nc2ccccc2c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 863307 YGHMVRRQTOTHFM-UHFFFAOYSA-N 358.363 5.377 0 40 FKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c2c1 993139 QNDHXISARMYEDH-UHFFFAOYSA-N 352.437 5.717 0 40 FKAB CCc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)cc1)C(C)(C)N2 2315773 GQDOJLXBMQEHJI-XDOYNYLZSA-N 366.555 6.240 0 40 FKAB C[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110311 YENHYTINCMYKIP-DPZWOIPNSA-N 362.966 6.072 0 40 FKAB CC(C)Oc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 4192848 QRSKRCFRDLYVBZ-UHFFFAOYSA-N 362.454 5.489 0 40 FKAB c1ccc(-c2nc(NCc3ccccn3)c3oc4ccccc4c3n2)cc1 5322322 FMTPFUJQPBGOHH-UHFFFAOYSA-N 352.397 5.050 0 40 FKAB CC(C)c1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 5460525 WXXUDHMZGZRWAQ-LADGPHEKSA-N 367.496 6.306 0 40 FKAB Cn1cc([C@@H]2C3=C(CCCC3)C(=O)N2Cc2cccs2)c2ccccc21 6391894 IKCJYKUAFJVIHU-NRFANRHFSA-N 362.498 5.194 0 40 FKAB CCc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)cc1 6870953 SVWRHKOMVIXMBX-UHFFFAOYSA-N 372.921 5.085 0 40 FKAB Cc1nc2ccccc2c(-c2ccccc2)c1N1C(=O)c2ccccc2C1=O 7986615 QKFMMIIGLZLERU-UHFFFAOYSA-N 364.404 5.011 0 40 FKAB C[C@@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccccn1 8706974 QKIIBTKJAJORBB-GFCCVEGCSA-N 350.422 5.066 0 40 FKAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9233349 SFKSRLMPLNKYTB-NTUHNPAUSA-N 370.282 5.291 0 40 FKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 9355406 NAKULWMNSSHXLG-XMMPIXPASA-N 366.464 5.264 0 40 FKAB Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1cccnc1)O2 13036337 SLFHGNARAIBYKK-APWZRJJASA-N 367.861 5.039 0 40 FKAB COc1cccc(-c2nc(Oc3cc(C)ccc3C)c3ccccc3n2)c1O 13120612 VMLDEFYWSPXHGM-UHFFFAOYSA-N 372.424 5.420 0 40 FKAB CCCn1c(-c2nc3ccccc3nc2-c2ccccc2)nc2ccccc21 13787205 LMLYCRVZZWNEJQ-UHFFFAOYSA-N 364.452 5.724 0 40 FKAB COc1cccc(NC(=O)c2c(-c3ccccc3)oc3ccc(OC)cc23)c1 15880498 LXXFSBDPZPUZNK-UHFFFAOYSA-N 373.408 5.369 0 40 FKAB biogenic CCCOc1cccc(CNc2ccc(OCCC3CCCCC3)cc2)c1 19738568 NWNIIMIVUUMDLJ-UHFFFAOYSA-N 367.533 6.437 0 40 FKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 20452101 RFHDYLORNUPXCU-CQSZACIVSA-N 357.759 5.155 0 40 FKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1Cl 20808379 LBWKTUFTTUNIJG-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Fc1ccccc1CSc1nccn2nc(-c3cccc(Cl)c3)cc12 38651610 CNCMTAKKDAZSKG-UHFFFAOYSA-N 369.852 5.481 0 40 FKAB O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccccc1Cl 40288131 CUJVQIXYJQUKML-UHFFFAOYSA-N 373.890 5.113 0 40 FKAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(F)cc1F)C1CC1 58700908 ARIOTSDWYXHJSF-LLVKDONJSA-N 369.333 5.349 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 61997119 QDDBJCCYYBJEFW-UHFFFAOYSA-N 370.836 5.426 0 40 FKAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217249 JWCGDYDVLVZYAZ-FQEVSTJZSA-N 366.530 5.484 0 40 FKAB C[C@H]1C(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 102695832 YOCSCRSTBWZYLM-BZSIODOPSA-N 350.289 5.012 0 40 FKAB COc1ccc(C(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1F 199767054 LJUCMSGFMBULDI-UHFFFAOYSA-N 358.796 5.563 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 216371202 TVJVYULGGDBIFG-AVRDEDQJSA-N 367.533 5.636 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219331747 YTLGJGOVZFPYSA-VXKWHMMOSA-N 353.506 5.345 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 219510129 IQFDCIKSJUIWSC-QZTJIDSGSA-N 353.506 5.246 0 40 FKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 219612991 HFCGRRGLNSAMPF-VQTJNVASSA-N 359.897 5.382 0 40 FKAB CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219650030 CLHUDVLPAVTWCW-QGZVFWFLSA-N 355.503 5.139 0 40 FKAB CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc2c(c1)CCCC2 223082871 ZEHWTDUVOUGJRH-OAQYLSRUSA-N 371.908 5.174 0 40 FKAB CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C 223270233 XIMPUOKGNJTVIF-QHCPKHFHSA-N 359.469 5.222 0 40 FKAB Cc1nc(-c2cccc(NC(=S)NCc3ccccc3Cl)c2)cs1 225179856 MUCXGDMHTTZINW-UHFFFAOYSA-N 373.934 5.259 0 40 FKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1CCCCC1 225278701 WILSUOKGIAEQIA-UHFFFAOYSA-N 356.560 5.598 0 40 FKAB Cc1csc2nc(SCc3ccc(Cl)c(Cl)c3)nc(O)c12 408597848 KIRBZTWMLPMBJN-UHFFFAOYSA-N 357.287 5.304 0 40 FKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc2c(Cl)cccc12 408623485 UUUFIZDMFXBPTR-UHFFFAOYSA-N 371.823 6.645 0 40 FKAB O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccccc2)c1 409105177 HBTMCZMBWKOWOX-STZFKDTASA-N 359.450 5.351 0 40 FKAB CCCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OC 409121951 WBXLMSXEFUILKJ-UHFFFAOYSA-N 354.277 5.711 0 40 FKAB Fc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 409203690 YNSNAFWPNZVHQR-UHFFFAOYSA-N 357.428 6.170 0 40 FKAB CCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409319882 NEHNHPLLNMKGJO-SFQUDFHCSA-N 373.861 5.370 0 40 FKAB Cc1ccc2cc(C)c(SCC(=O)Nc3ccc(Cl)cc3)nc2c1 882866 SFLUCZIIMOPJSJ-UHFFFAOYSA-N 356.878 5.236 0 40 FKAB Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 1241925 TZKWUIMMASWVHN-LJQANCHMSA-N 364.832 5.233 0 40 FKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 1386188 LLZFUQPAUJXDMD-ZETCQYMHSA-N 370.585 6.201 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2069649 XOSUNRBBJKFTPO-HNNXBMFYSA-N 357.881 5.726 0 40 FKAB CCc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1CCCC2 2271360 XNBKFRCNDKIWKD-UHFFFAOYSA-N 374.513 5.293 0 40 FKAB COc1ccc(C2=C[C@@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1 2917785 PCGOGLATQXDYNC-QHCPKHFHSA-N 367.452 5.409 0 40 FKAB C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 3446955 QRIGMAPRFSEMEP-HNNXBMFYSA-N 369.386 5.863 0 40 FKAB Cc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1 3899681 BVUXMMNJQACRST-QHCPKHFHSA-N 365.436 5.135 0 40 FKAB Cc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1-c1ccccc1 3902604 AHISHOCYNSEKJR-UHFFFAOYSA-N 361.832 5.240 0 40 FKAB CC[C@]1(C)C[C@](CCNCc2ccc(OC(C)C)cc2)(C(C)C)CCO1 4073332 BVXZKVGVMFJFAV-DHIUTWEWSA-N 361.570 5.575 0 40 FKAB biogenic COc1cccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)n2C)c1 4678416 FXNMKQOBNGRCOQ-UHFFFAOYSA-N 362.260 5.015 0 40 FKAB CC(C)C(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12 5106937 HHVPEDPJBQCALN-UHFFFAOYSA-N 374.799 5.072 0 40 FKAB CCOc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 5156077 XMYVHNSVEZNTDW-UHFFFAOYSA-N 358.397 5.193 0 40 FKAB C[C@@H](CCc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 6175385 GVDKWUMOTHWVFC-FQEVSTJZSA-N 357.497 5.346 0 40 FKAB O=C(Nc1ccccc1Nc1ccccc1)c1ccccc1C(F)(F)F 7988988 MWBJLWJNOBDKSO-UHFFFAOYSA-N 356.347 5.701 0 40 FKAB CC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 12808475 PJQXYRVEVSCEGJ-BACDZXNISA-N 356.535 5.265 0 40 FKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cccc(Cl)c1 12984902 VVGVIMBWKJCLHT-UHFFFAOYSA-N 362.907 5.106 0 40 FKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 13708606 GYJUATPUGODPOZ-GFCCVEGCSA-N 360.240 5.553 0 40 FKAB Clc1nc2ccccc2cc1CN[C@H](Cc1ccccc1)c1ccccc1 14672876 IGVUGPUJYNUBQY-HSZRJFAPSA-N 372.899 5.962 0 40 FKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 20145064 GOVOMZPLHJYKJV-VZUCSPMQSA-N 367.832 5.053 0 40 FKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)cc1Cl 20672003 SGVNKFBTVXRDFI-ZDUSSCGKSA-N 365.864 5.343 0 40 FKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2F)cc1 40485411 IYTVIMLDVREQKB-QFIPXVFZSA-N 373.427 5.187 0 40 FKAB Cc1ccc([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C 59351140 ZUWLWAJEQHCQHB-HXUWFJFHSA-N 357.497 5.703 0 40 FKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc2[nH]ccc12 95475150 BTTAASHVHGDJMP-UHFFFAOYSA-N 367.861 5.126 0 40 FKAB CCc1ccc(NC(=O)c2ccc3onc(-c4csc(C)n4)c3c2)cc1 96037854 GPDMVCRRPDISCO-UHFFFAOYSA-N 363.442 5.074 0 40 FKAB O=C(Cc1cccc2ccccc12)N1CCS[C@@H](c2cccs2)CC1 219488088 WTJRGHVBVMYYPQ-HXUWFJFHSA-N 367.539 5.151 0 40 FKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COC(C)C 224425500 AWJNJHNBBVLSRK-UHFFFAOYSA-N 368.260 5.179 0 40 FKAB O=C(NC[C@H](O)c1cccc2ccccc12)c1ccc(-c2ccsc2)cc1 225618050 SEXUSLFESIUKCR-QFIPXVFZSA-N 373.477 5.032 0 40 FKAB CC1(C)C[C@](C)(c2ccccc2)c2cc(N)ccc2N1C(=O)c1ccccc1 1857657085 JYNYCJSGXBNGFT-RUZDIDTESA-N 370.496 5.404 0 40 FKAB Cc1ccc(S[C@@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1382504 QTADTQAFLZFLPT-QFIPXVFZSA-N 360.478 5.612 0 40 FKAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(C)cc(C)cc2s1 1510369 DVCZPDOMFFXSPT-UHFFFAOYSA-N 362.454 5.327 0 40 FKAB O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 1665689 KBMSHLIYFNGBTH-RTBURBONSA-N 350.289 5.254 0 40 FKAB Cc1ccc(C)c2c1N(C)[C@@]1(C=Nc3c(ccc4ccccc34)O1)C2(C)C 1817680 KPWBMHJHMMJPKT-XMMPIXPASA-N 356.469 5.675 0 40 FKAB Cc1ccc2c(-c3oc4c(Cl)cc(Cl)cc4c3C)cc(=O)oc2c1C 2100899 YYHJYOTWELGIDL-UHFFFAOYSA-N 373.235 6.438 0 40 FKAB biogenic O=C(CCCSc1nnc(Nc2ccccc2F)s1)c1ccccc1 2618467 ZDUYNDCTRPPBJR-UHFFFAOYSA-N 373.478 5.176 0 40 FKAB Cc1csc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)n1 2791592 XGBLZYURIYHWCY-UHFFFAOYSA-N 374.821 5.173 0 40 FKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2Nc2cc(C)ccc2C)c1 2848869 ZGGOFFZXSXDWJQ-UHFFFAOYSA-N 368.484 6.351 0 40 FKAB CCc1ccc(C(=O)C[C@@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 3112452 DAXQOWGOPTYWBK-JOCHJYFZSA-N 363.888 6.329 0 40 FKAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3ccccc3c2)cs1 3503878 YSMJWKYXVVELMV-UHFFFAOYSA-N 358.466 5.453 0 40 FKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 3850264 ZKGCEXPUCJDWMB-WZVYRGHWSA-N 374.565 5.715 0 40 FKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 4090383 YWKAUCPGTILETE-UHFFFAOYSA-N 364.257 5.073 0 40 FKAB CSc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 5076520 UQRBBENCFQLCCQ-UHFFFAOYSA-N 359.454 5.204 0 40 FKAB C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 6561375 YMQUPXVULWREPF-CQSZACIVSA-N 357.831 6.058 0 40 FKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)oc2c1 6775944 TZBJALLIKHZULB-UHFFFAOYSA-N 368.845 5.770 0 40 FKAB C[C@H](NC(=O)c1ccccc1SCc1ccccc1F)c1ccccn1 6820582 UDYMBBJKJCKFJQ-HNNXBMFYSA-N 366.461 5.004 0 40 FKAB c1ccc(-c2cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)no2)cc1 8156728 PWHRCSQCAYWTQH-UHFFFAOYSA-N 374.469 5.092 0 40 FKAB COc1cc(CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1 8471473 SZNPINYFMLMHDU-UHFFFAOYSA-N 359.897 5.350 0 40 FKAB S=c1cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 9530413 VJFKZDXEKKHFPH-UHFFFAOYSA-N 362.494 6.857 0 40 FKAB Cc1ccc(-c2nnc([C@H](C)Sc3c(Cl)cccc3Cl)o2)cc1 9589182 QZMIQFWBUYHCOQ-NSHDSACASA-N 365.285 6.205 0 40 FKAB O=C(COc1ccc2ccccc2c1)N(Cc1ccccc1)Cc1ccco1 9863520 XZIUFINGYIGWJM-UHFFFAOYSA-N 371.436 5.041 0 40 FKAB CCc1cccc(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)c1 12785302 YONBCHYFYHVQND-UHFFFAOYSA-N 369.515 5.050 0 40 FKAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(C)cc3)n2)cc1 12931700 KGNFDBKRLOBXLR-UHFFFAOYSA-N 369.895 7.353 0 40 FKAB C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13672191 JKXZMIWTYLIXBT-CQSZACIVSA-N 361.938 5.607 0 40 FKAB O=C(Nc1ccc(Oc2ccc3c(c2)OCO3)cc1)c1cc2ccccc2o1 15081755 BMKNPGVNNCJGEE-UHFFFAOYSA-N 373.364 5.206 0 40 FKAB O=C(Nc1cccc(F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 15319750 WTAIOBCWVKYNST-UHFFFAOYSA-N 371.864 6.024 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(Cl)cccc1Cl 20461486 BZMZMCHZJJPVNG-INIZCTEOSA-N 352.261 5.406 0 40 FKAB CCc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245767 AKHXRTIOXXZZRH-UHFFFAOYSA-N 355.438 5.149 0 40 FKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccnc(Cl)c3)n2)cc1C 25387272 MAWSCHSYBURXPC-UHFFFAOYSA-N 357.866 5.036 0 40 FKAB O=C(O)C/C(=C/c1ccccc1Br)c1nc2ccccc2s1 28495914 XOECAJWPOHOQNJ-XFXZXTDPSA-N 374.259 5.074 0 40 FKAB CC(C)c1ccc2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc2c1 35313068 MRUOUBKMRMBNJE-ZDUSSCGKSA-N 367.518 5.027 0 40 FKAB Nc1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 40542345 XMVOCRHBWVENOK-UHFFFAOYSA-N 358.022 5.146 0 40 FKAB CN(Cc1ccsc1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44774999 MYKTZCYPIRITIZ-JKSUJKDBSA-N 368.527 5.066 0 40 FKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 44884841 PIZAAMFWYXMVNG-CYBMUJFWSA-N 352.261 5.325 0 40 FKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)C2CCCCC2)c1 57945284 JDFPGVIZUFLQPE-QFIPXVFZSA-N 350.506 5.248 0 40 FKAB CCc1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1 72229191 OLTLFWNJGATZMH-UHFFFAOYSA-N 371.912 5.482 0 40 FKAB COc1cc(C(C)=O)c(OCc2ccccc2)cc1OCc1ccccc1 77302265 UKVLAHANEXQLKD-UHFFFAOYSA-N 362.425 5.056 0 40 FKAB in-vitro CC1CCN(c2ccc(N[C@@H](C)c3nc(-c4cccs4)no3)cc2)CC1 84699973 OISRMBQTOIQUIE-HNNXBMFYSA-N 368.506 5.208 0 40 FKAB CCn1c([C@@H](C)N[C@H](C)c2ccc(Br)cc2)nc2ccccc21 97212891 DJLQIYSJXJBUJP-ZIAGYGMSSA-N 372.310 5.231 0 40 FKAB Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)cc1 100138285 ILQNKENDCUBZRV-LYBHJNIJSA-N 371.392 5.075 0 40 FKAB biogenic CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1 222899990 RZGRSUJTUNEHME-VXKWHMMOSA-N 353.506 5.291 0 40 FKAB C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCC2 223256545 SIOCWKHVEUNPRB-ZDUSSCGKSA-N 362.300 5.292 0 40 FKAB Cc1nc(-c2cccc(NC(=S)NC3CCCCCCC3)c2)cs1 225180794 VSPCQQPXLYIHAQ-UHFFFAOYSA-N 359.564 5.518 0 40 FKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Cl)cc2)cc1 225497303 LFDLXUFZXWBFOZ-GOSISDBHSA-N 362.926 5.422 0 40 FKAB CCO[C@@]1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225718397 VOUFRAKWUHMVCS-LDJQZATESA-N 361.526 5.405 0 40 FKAB COc1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 225847001 AOMXXDVNBJMMTQ-UHFFFAOYSA-N 368.546 5.236 0 40 FKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 250113044 JYTFDKSVRVWORY-LQOLNCQKSA-N 353.849 5.335 0 40 FKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Cl 408902450 NUSUEQOPOKAHBO-GZTJUZNOSA-N 373.861 5.368 0 40 FKAB O=C(Cc1cccc2ccccc12)Nc1nc2c(Cl)cccc2s1 682225 AKHRUPWTIWRREA-UHFFFAOYSA-N 352.846 5.284 0 40 FKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 723752 LKVDWDIPKJZDSY-UHFFFAOYSA-N 360.388 5.503 0 40 FKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 940114 NYEUXEWXWIOAAX-LLVKDONJSA-N 357.759 5.073 0 40 FKAB Cc1cccc(-c2nnc3c4c(-c5ccc(C)c(C)c5)csc4ncn23)c1 957818 YMUAVTKVEDABCV-UHFFFAOYSA-N 370.481 5.598 0 40 FKAB Clc1ccccc1-c1nc2sc(-c3ccccc3Cl)nc2s1 2210390 DQPXFWBJWQQOOF-UHFFFAOYSA-N 363.294 6.394 0 40 FKAB Clc1ccc([C@@]2(CCN3CCCCC3)CCCc3ccccc32)cc1 2450389 RHBRKZVFYYENSN-QHCPKHFHSA-N 353.937 5.838 0 40 FKAB Cc1ccc2c(c1)CCCN2C(=O)c1c(-c2ccccc2Cl)noc1C 2561891 MCCDKIFSUPSJCX-UHFFFAOYSA-N 366.848 5.205 0 40 FKAB Cc1ccc(-c2csc3ncnc(OCCOc4ccccc4)c23)cc1 3299398 OVJCIHHOYTYGOE-UHFFFAOYSA-N 362.454 5.125 0 40 FKAB CC(=O)Nc1ccc2nc(Nc3nc4ccc(Cl)cc4s3)sc2c1 4137801 PRDZECSHNMRZDO-UHFFFAOYSA-N 374.878 5.261 0 40 FKAB c1ccc(C2(c3ccccc3)O[C@@H](c3cccs3)Oc3ccccc32)cc1 4414426 NMTSQKVJWPBERV-QHCPKHFHSA-N 370.473 6.148 0 40 FKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)cc1C 4970015 IGKCGALWQIQZJC-UHFFFAOYSA-N 367.427 5.997 0 40 FKAB CCc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc(C)ccc3c21 4970155 OJKDPVYZGXZEAR-UHFFFAOYSA-N 363.464 6.112 0 40 FKAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc2ccccc2c1 5681629 LIZJGZVPZGQXLX-UHFFFAOYSA-N 359.450 5.308 0 40 FKAB COc1ccc(C)c2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc12 7348984 VYDAZSXQJZLEJE-UHFFFAOYSA-N 354.475 5.163 0 40 FKAB Clc1ccc(COc2cccc(CNCc3ccco3)c2)c(Cl)c1 7523653 MJONAYQIZQQEOO-UHFFFAOYSA-N 362.256 5.455 0 40 FKAB Fc1ccc(COc2ccc3ccccc3c2CNCc2ccco2)cc1 7523715 RUUJJWVAOSWETE-UHFFFAOYSA-N 361.416 5.441 0 40 FKAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl 7587645 GAXNJXCTEOYKPL-SNVBAGLBSA-N 369.679 5.037 0 40 FKAB Fc1ccc(-c2csc3ncnc(Oc4ccc5c(c4)OCO5)c23)cc1 7780400 CYSFMDAJAQGHLB-UHFFFAOYSA-N 366.373 5.018 0 40 FKAB COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 8906148 XMQVNLKCSJSCGC-UHFFFAOYSA-N 372.424 5.075 0 40 FKAB O=C(COc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2 9142029 MVCNWDFQLIMOJT-UHFFFAOYSA-N 353.421 5.109 0 40 FKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3Cl)[nH]2)cc1 9199335 ZFRRIHKTUBQODC-UHFFFAOYSA-N 357.910 5.715 0 40 FKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C(C)C)n(C2CCCC2)c1C 9421644 JPOTWZALBQJSFD-UHFFFAOYSA-N 364.493 5.358 0 40 FKAB Cc1cccc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)n1 10165708 HRCNFFLQEWETAL-UHFFFAOYSA-N 366.471 5.057 0 40 FKAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CC(C)C)c1 10433763 KZPMBRKEAFGKDU-UHFFFAOYSA-N 358.532 5.023 0 40 FKAB CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C\c1c(C)cc(OC)c(C)c1C 11592658 HQMNCQVAMBCHCO-UQDZLYSGSA-N 354.490 5.646 0 40 FKAB in-man CCc1ccc(OC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 12062677 AFUOWOYAOXMWOW-UHFFFAOYSA-N 371.411 5.823 0 40 FKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20460955 TWZRDBXIBBARNY-ISKFKSNPSA-N 373.496 5.367 0 40 FKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 22527604 QPYGTSQKGCKTQP-ZDUSSCGKSA-N 351.368 5.235 0 40 FKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)cc1C 27740301 ATVFLGMIBAOZNI-UHFFFAOYSA-N 355.890 5.865 0 40 FKAB C[C@H]1CCN(C(=O)c2csc(-c3cccs3)n2)c2ccccc2S1 36619864 IDTGFCIHOFNGDI-LBPRGKRZSA-N 372.540 5.403 0 40 FKAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)c(Cl)c3)c2c1 38487342 CZXIEXFSAWEUJZ-UHFFFAOYSA-N 370.836 5.126 0 40 FKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCSc1ccccc1 41107816 LLWWVPGWXURJEA-UHFFFAOYSA-N 371.889 5.431 0 40 FKAB O=C(CSCc1csc(-c2ccccc2)n1)Nc1ccccc1Cl 45010262 FHPCCXRKHHPYBG-UHFFFAOYSA-N 374.918 5.335 0 40 FKAB O=C(Nc1cccc2cnccc12)N1CCC[C@@H]1c1ccccc1Cl 48051206 TWJHBIAXRGWPAS-LJQANCHMSA-N 351.837 5.257 0 40 FKAB Cc1cc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)c(C)o1 56907280 LXJVUEGKGVNJPO-UHFFFAOYSA-N 373.821 5.067 0 40 FKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 67190046 GNRSUJGOHZIZPH-BZZOAKBMSA-N 354.409 5.226 0 40 FKAB Cc1ccc(-c2nc3ccccc3n2-c2ccc(Br)cc2)cc1 73740006 AQSZMLBQIGJGCL-UHFFFAOYSA-N 363.258 5.763 0 40 FKAB Cc1c(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)oc2ccccc12 96194421 MJSLLQKTCUIICL-UHFFFAOYSA-N 371.425 5.056 0 40 FKAB C[C@@H]1CC=C(C[C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)C1(C)C 106937383 RKNFSNLCHNXQDD-BSDZUQITSA-N 372.512 5.939 0 40 FKAB Cc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1 107040461 DJLOWNQZRLIQHQ-UHFFFAOYSA-N 353.465 6.339 0 40 FKAB CCC(=O)c1ccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 107675161 USHAEGMMJDEXSY-UHFFFAOYSA-N 374.436 5.386 0 40 FKAB Cc1ccnc(N(Cc2ccc(Cl)c(Cl)c2)C(=O)OC(C)(C)C)c1 199710360 KQSLOCZKQJIUKK-UHFFFAOYSA-N 367.276 5.639 0 40 FKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(C(C)C)cc1 219383346 BFNHYCAQIUAZRU-QFIPXVFZSA-N 367.533 5.333 0 40 FKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881687 VOGSCZBTTVGWMV-CYBMUJFWSA-N 367.367 5.115 0 40 FKAB CCOc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1 225763774 PFEUHIPGPBJPHS-FQEVSTJZSA-N 356.535 5.386 0 40 FKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 225820047 WSFUGIVMIGHRDG-SFTDATJTSA-N 369.505 5.045 0 40 FKAB Cc1ccc2c(c1)[C@@H]1Oc3ccc(C)cc3[C@@H]3Oc4ccc(C)cc4[C@@H](O2)N13 226319594 OTYZCQBRBUIEJS-KMDXXIMOSA-N 371.436 5.487 0 40 FKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3C)o2)cc1Cl 227145931 GCHBZWQRQUEKFS-JXMROGBWSA-N 366.848 5.451 0 40 FKAB Cc1ccccc1-c1nc2cc(NC(=O)c3cccnc3Cl)ccc2o1 408619936 DNDWHJNCSROANY-UHFFFAOYSA-N 363.804 5.104 0 40 FKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(C(C)C)cc1 408624894 DGPGJULEAVTHFP-UHFFFAOYSA-N 371.440 5.574 0 40 FKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 408962179 QSYJZMKNGURXSQ-XMHGGMMESA-N 360.438 5.027 0 40 FKAB CC(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409056599 HLMMHQUMSFSIQH-BOPFTXTBSA-N 357.862 5.704 0 40 FKAB Cc1cccc(OCc2ccc(C(=O)Nc3cccc4cccnc34)cc2)c1 409182080 HYVNOSNLUWKFAB-UHFFFAOYSA-N 368.436 5.375 0 40 FKAB C/C(=C1\C=C2CCc3ccccc3C2=N1)c1cc2c([nH]1)-c1ccccc1CC2 685944547 LSZYMHUQKRQZPS-JLPGSUDCSA-N 362.476 5.887 0 40 FKAB Cc1ccccc1C(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 808684 SBLKAQSVVAMUKA-HNNXBMFYSA-N 374.720 5.213 0 40 FKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(F)cc2)c1 825302 JYCPLNSTPGXELP-JOCHJYFZSA-N 359.444 5.387 0 40 FKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(Cl)cc2)c2cc(C)ccc21 855405 KBVHMOWOQLAMAX-UHFFFAOYSA-N 361.894 5.039 0 40 FKAB O=C(Nc1ccncc1)c1cc(-c2ccccc2Cl)nc2ccccc12 996646 UPHMYJCITNSFEJ-UHFFFAOYSA-N 359.816 5.203 0 40 FKAB Cc1cc(OC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl 1752620 XXDVJUYBOKAIRD-UHFFFAOYSA-N 364.150 5.932 0 40 FKAB CC(C)(C)c1cc(OC(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1 2054268 ZCSSQACSAPPXAF-UHFFFAOYSA-N 359.897 6.546 0 40 FKAB CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 2271564 HCVTXESBLPDBRY-JKFKMHIGSA-N 370.496 5.915 0 40 FKAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cccc(OC(F)F)c1 2631512 SVGPXCWOEHZFBW-UHFFFAOYSA-N 353.324 5.440 0 40 FKAB O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCCCC1 3177499 GKGBEQORLACQRC-UHFFFAOYSA-N 362.445 5.371 0 40 FKAB Cc1ccc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(C)c1 3330062 VHZOJGCKAZRVFJ-UHFFFAOYSA-N 355.503 5.263 0 40 FKAB CCO[C@H]1c2c(C)ccc(NC(=O)Nc3ccc(Cl)cc3)c2OC1(C)C 4105553 DCRKZMVDIUUFCX-SFHVURJKSA-N 374.868 5.541 0 40 FKAB CCO[P@@](=O)(NC(C)C)SCc1c(Cl)sc2ccccc12 4287808 PSFQIWLQWOFLJE-IBGZPJMESA-N 363.872 5.931 0 40 FKAB CCc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4657335 CGTKKWKLZCOQGE-UPVQGACJSA-N 354.453 5.491 0 40 FKAB Cc1ccc(-c2cnc(NCc3cccc(Cl)c3Cl)n2C)cc1C 4678878 OJJPVMDMZNWWGM-UHFFFAOYSA-N 360.288 5.623 0 40 FKAB Clc1ccc(/C=C\c2cccc(/C=C\c3ccc(Cl)cc3)n2)cc1 4707883 VRAQQNXZEHMOFY-SFGFDRCGSA-N 352.264 6.729 0 40 FKAB CCCCCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 6313669 BOQHWOIWLXIBIM-UHFFFAOYSA-N 371.481 5.096 0 40 FKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@H]3c2ccco2)cc1 6719851 DVPRIHSLUFOSFX-SFHVURJKSA-N 373.412 5.167 0 40 FKAB C[C@@]12CC3CC(NCc4ccc(-c5ccc(F)cc5)o4)(C1)C[C@](C)(C3)C2 7524370 XPDBDYCGAIATRT-QLOAFGCXSA-N 353.481 5.924 0 40 FKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1F 7794059 CPBQZHYZXRBERM-UHFFFAOYSA-N 366.392 5.494 0 40 FKAB O=C(Cc1ccc(Cl)s1)Nc1cccc(-c2nc3ccccc3o2)c1 10060983 FBFBKTHOZSKSAD-UHFFFAOYSA-N 368.845 5.391 0 40 FKAB CCCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 12419884 DFHWBTWCVMBOMR-GOSISDBHSA-N 361.489 5.055 0 40 FKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc(C)c1Cl 14398935 VGGWMLWVYFWKSI-NSHDSACASA-N 372.679 5.670 0 40 FKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1OCC 16317287 VVFOHHYFRUZZRQ-MRXNPFEDSA-N 372.534 5.148 0 40 FKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 16348539 RRMANUFPDPXOSQ-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB O=C(NC1CCCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 22530414 DZOBNDYCPALLAF-UHFFFAOYSA-N 362.517 5.092 0 40 FKAB O=C(c1cc2cc(Cl)ccc2[nH]1)N(Cc1ccccc1)Cc1ccco1 30221881 JXKWEUXCHILRJE-UHFFFAOYSA-N 364.832 5.257 0 40 FKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38771924 PUSUBNIKAHRONM-SFHVURJKSA-N 364.533 5.603 0 40 FKAB O=C(NCCc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 44441390 DHWCSQKYLNVKDW-UHFFFAOYSA-N 373.481 5.328 0 40 FKAB Cc1ccc(C(C)C)c(Oc2nc3ccccc3nc2N2CCCCC2)c1 45900697 FVZZSBJQOKTYMQ-UHFFFAOYSA-N 361.489 5.844 0 40 FKAB O=C(Nc1cccc(Cl)c1F)c1cc(-c2cccc3ccccc23)[nH]n1 57413167 UICXBQNIOQZLNR-UHFFFAOYSA-N 365.795 5.275 0 40 FKAB CCCN(Cc1nnsc1Cl)[C@@H](C)c1ccc(Cl)c(Cl)c1 59350295 AOQMFOGHWHQPQZ-VIFPVBQESA-N 364.729 5.472 0 40 FKAB CCc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1 70134368 HGDPEQAEJUINLQ-LLVKDONJSA-N 366.686 5.156 0 40 FKAB O=C(CC1CCCC1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380340 PVOUAYAXWUAJCX-KRWDZBQOSA-N 371.912 5.016 0 40 FKAB Clc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)c(Cl)c1 85345338 FTMKVEMVFGGVIJ-UHFFFAOYSA-N 363.631 6.450 0 40 FKAB Clc1ccc(Cc2cc3cc(Br)ccc3nc2Cl)cc1 90487531 ABQWHPYCFIIQNG-UHFFFAOYSA-N 367.073 5.895 0 40 FKAB COc1ccc(-n2c(C)cc(-c3nc(-c4ccccc4)c(C)[nH]3)c2C)cc1 95468329 IVJNZZDVNHTWNR-UHFFFAOYSA-N 357.457 5.468 0 40 FKAB Cc1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC=C[C@@H](c4ccccc4)N32)cc1 104145810 QGYCSPJHNUOMPZ-FOHCBJOKSA-N 350.465 5.478 0 40 FKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 205866847 HNDHUNURFOMJBC-UHFFFAOYSA-N 365.043 5.561 0 40 FKAB O=C(CCc1cccc2ccccc12)Nc1cccc(Br)c1 222658013 AKWBDVVTJLUJBK-UHFFFAOYSA-N 354.247 5.174 0 40 FKAB C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222904889 RVJXJZBUBWSWMQ-OAHLLOKOSA-N 373.949 5.329 0 40 FKAB O=C(NCCc1ccc(F)cc1)c1ccccc1SCc1ccccc1 224092939 PNWOXSGLCLQWQO-UHFFFAOYSA-N 365.473 5.091 0 40 FKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408880826 HOQRNVKUJKDBMV-KRWDZBQOSA-N 363.482 5.385 0 40 FKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 409105748 KHQHILPNDWHTHO-UHFFFAOYSA-N 357.910 5.788 0 40 FKAB c1ccc(CN2CCC([C@]3(C4CCCC4)NCCc4ccccc43)CC2)cc1 1776011403 KPDOPSNYKNQJKW-SANMLTNESA-N 374.572 5.130 0 40 FKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 683116 LJBJSDGUAYLWDP-LLVKDONJSA-N 357.759 5.073 0 40 FKAB S=C(Nc1ccc(Br)cc1)SCc1ccc(Cl)cc1 1565595 CGQIWHPAKMCHJY-UHFFFAOYSA-N 372.740 5.733 0 40 FKAB C1CCc2c(oc3c2CCC[C@H]3C[C@H]2CCCc3c2oc2c3CCCC2)C1 2099790 WORTVCJWMABZCN-CALCHBBNSA-N 364.529 6.560 0 40 FKAB biogenic CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1cccc2ccccc12 2099970 ZLEUHGLRUVUXFF-YVIRBKRRSA-N 368.480 5.707 0 40 FKAB biogenic CCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O 2269414 UJKBSABDIAAPDU-SILNSSARSA-N 363.457 5.299 0 40 FKAB CCn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2375512 ZYKAOJHJTCOYAL-UHFFFAOYSA-N 368.546 5.189 0 40 FKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccco4)o3)cs2)cc1 2623228 YFNHVVXDOUSZFW-UHFFFAOYSA-N 370.459 5.130 0 40 FKAB CCOc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1 3205433 MRAKRDCSPJUQCP-UHFFFAOYSA-N 353.425 5.344 0 40 FKAB COc1cc2c(cc1OC)CN(Cc1c(C)cc(C(C)(C)C)cc1C)CC2 5321763 ZPSQMRZEXBTBFY-UHFFFAOYSA-N 367.533 5.176 0 40 FKAB CCCCc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 5552746 PDHZWUFIDFVXKP-DEUNMTSUSA-N 353.443 5.419 0 40 FKAB O=C(Nc1ccc(Cl)cc1)N1c2ccccc2S[C@H]1c1ccco1 5665113 TYSVHEMLFUGGNT-KRWDZBQOSA-N 356.834 5.776 0 40 FKAB O=C(O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1)c1ccccc1 5682238 FFBGIFBVWIAEIA-DHIUTWEWSA-N 363.501 5.034 0 40 FKAB CCc1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 6709300 OGBUYLQCFWXZJV-UHFFFAOYSA-N 361.510 6.102 0 40 FKAB O=C(c1ccccc1)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6889682 OPCYSFKTFAWNTE-UHFFFAOYSA-N 374.480 5.082 0 40 FKAB CCc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(C)cs2)cc1 9341473 PLJUEOBFFLNCJI-QGZVFWFLSA-N 353.516 5.431 0 40 FKAB CCCCOc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 11916555 QXBIIVHWZZTYIT-UHFFFAOYSA-N 366.486 5.169 0 40 FKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1C 13364398 KGZIJXONWGXHRD-NRFANRHFSA-N 373.431 5.694 0 40 FKAB CCSc1nc2ccccc2n1C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 13775605 ZHRVTFJJYMMTIH-IINYFYTJSA-N 369.317 5.380 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(Cl)c(Cl)c1 14730877 AFBOPUUDNQRQIY-UHFFFAOYSA-N 362.212 5.314 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1N1CCCC1 15356796 SSDRIGSOKUBWPU-UHFFFAOYSA-N 356.469 5.135 0 40 FKAB Fc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c(F)c1F 16221275 WUBVELJDHIGYMN-UHFFFAOYSA-N 374.387 5.705 0 40 FKAB Cc1cc(C)c(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 16994171 RRNDURHNXJHNDA-UHFFFAOYSA-N 363.852 5.138 0 40 FKAB Cc1ccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)cc1 17889464 LPUVKPOQABYNJM-XDOYNYLZSA-N 366.555 6.295 0 40 FKAB C[C@@H]1CN(c2nc3ccccc3cc2-c2ccc(Cl)cc2)C[C@@H](C)O1 20405270 YMPXXDXDSQETEC-HUUCEWRRSA-N 352.865 5.169 0 40 FKAB CC(C)Sc1ncc(Cl)c(-c2nnc(-c3ccccc3Cl)o2)n1 28287758 ZPCBNKGCEHULGV-UHFFFAOYSA-N 367.261 5.001 0 40 FKAB Cc1cccc(-c2nn3c(NCCC4=CCCCC4)cc(C)nc3c2C)c1 40216798 OLUKAASLAFUGIQ-UHFFFAOYSA-N 360.505 5.624 0 40 FKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)c(Cl)c1 44903340 LRLOMNGJMAPPIW-MRXNPFEDSA-N 352.261 5.406 0 40 FKAB CC(C)CNc1nnc(SCc2ccccc2Oc2cccnc2)s1 57995309 ODJHJOCCWXCLMC-UHFFFAOYSA-N 372.519 5.086 0 40 FKAB CC(C)c1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 71760688 WHIBJZFNORWITR-UHFFFAOYSA-N 362.498 6.411 0 40 FKAB O=C1NC(=O)/C(=C\c2ccc(OCCC3CCCCC3)c(Cl)c2)S1 77285616 DBBGLVJTGXKCHY-LFIBNONCSA-N 365.882 5.013 0 40 FKAB in-vitro CC(=O)Nc1cccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c1C 79055831 IWAOFIXFAQUQRG-UHFFFAOYSA-N 371.651 5.166 0 40 FKAB O=C(NCC1CCCCCCC1)c1cccnc1Nc1cccc(F)c1 80444771 XFDPBCGZCMCCIG-UHFFFAOYSA-N 355.457 5.055 0 40 FKAB CCOc1ccc(NC(=O)N(CCc2cccs2)Cc2ccoc2)cc1 90612450 SUXRNDKECGYFLT-UHFFFAOYSA-N 370.474 5.017 0 40 FKAB CC(C)c1ccc(NC(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 96182981 RPTJTHHPJIUQQT-UHFFFAOYSA-N 351.450 5.074 0 40 FKAB COc1ccc(C(=O)Nc2ccccc2F)cc1CSc1ccccc1 224323989 JHCCLTYGNBUQLB-UHFFFAOYSA-N 367.445 5.379 0 40 FKAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225794401 HRSFLYOALJZFPH-QFIPXVFZSA-N 357.494 5.264 0 40 FKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)nc3)CCCCC2)cc1 225933114 RRDDVKWCRYNETR-UHFFFAOYSA-N 352.478 5.018 0 40 FKAB COc1cccc(OC)c1-c1cccc2c1P(C(C)(C)C)C(C)(C)O2 1772769018 GGPKISOMMZBCPQ-UHFFFAOYSA-N 358.418 5.405 0 40 FKAB Cc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)c1 663195 PKQLNVWIEAJAAO-UHFFFAOYSA-N 372.468 5.425 0 40 FKAB CSC1=NC(C)(C)CC2=C(C)C=C(C)[C@@]3(CC(C)(C)N=C3SC)C2=C1 1089579 KXFAQMAXXWADQH-NRFANRHFSA-N 374.619 6.063 0 40 FKAB CCCCc1nc2sc3c(Cl)nc(SC)nc3c2c2c1CCC2 2233041 JHBYMBQGNCQOGX-UHFFFAOYSA-N 363.939 5.446 0 40 FKAB CCSc1ccccc1C(=O)Nc1nc2c(s1)COc1ccccc1-2 4585707 YUPQZGWPPZAYRS-UHFFFAOYSA-N 368.483 5.067 0 40 FKAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 4616685 SKSYIHXJLHZETB-BZZOAKBMSA-N 354.409 5.226 0 40 FKAB COc1ccc2[nH]c(-c3nnc(Cn4c(C)cc5ccccc54)s3)cc2c1 4746759 KPGVPLXECQHNQU-UHFFFAOYSA-N 374.469 5.006 0 40 FKAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544511 IYASZYXSTQLMKD-OAHLLOKOSA-N 367.880 5.010 0 40 FKAB Cc1cccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)c1 12659360 YSLOIROZJYIFBR-CLCOLTQESA-N 371.392 5.075 0 40 FKAB biogenic O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(Oc2ccccc2)c1 13222191 IADRBILABMCYRM-UHFFFAOYSA-N 373.437 5.250 0 40 FKAB OC1=Nc2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2C(F)(F)F)C1 13691672 YNRGSPOXVZFPKF-CYBMUJFWSA-N 357.335 5.219 0 40 FKAB Cc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 14257896 TZADGESVEKVFSQ-UHFFFAOYSA-N 361.832 5.444 0 40 FKAB COc1ccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)cc1 15643702 VYPMWBNKFCOTDE-UHFFFAOYSA-N 361.441 5.160 0 40 FKAB c1ccc(-c2noc(CSCc3csc(-c4ccccc4)n3)n2)cc1 36735330 JBQMKSABBIZKHE-UHFFFAOYSA-N 365.483 5.294 0 40 FKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc(C)c1Cl 40913201 CNBBYVKSKSLAPD-OAHLLOKOSA-N 361.869 5.150 0 40 FKAB CC(C)Sc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72217537 WAONWYRQUCEBRK-GOSISDBHSA-N 356.491 5.056 0 40 FKAB Clc1cnc2oc(-c3cccc4c(Br)cccc34)nc2c1 78406972 MZLVLYUXNPDZSA-UHFFFAOYSA-N 359.610 5.459 0 40 FKAB Cc1nc2ccccc2nc1CSCc1nc(-c2ccccc2)oc1C 95349021 BUJDVFIVJCFCCX-UHFFFAOYSA-N 361.470 5.335 0 40 FKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219587478 IPWZSKPFONJARL-UWJYYQICSA-N 353.506 5.327 0 40 FKAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCCC2 223125207 WEQLGRXDLTXFPU-NRFANRHFSA-N 371.521 5.205 0 40 FKAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253617588 XFQZMLHHLMNCGB-OSERSWIASA-N 362.554 5.102 0 40 FKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCCC2)cc1 408676547 KJXMSDMUGCTEET-UHFFFAOYSA-N 372.468 5.118 0 40 FKAB Cc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)c(C)c1 409119415 WNQKISJZKGAYAU-UHFFFAOYSA-N 351.877 6.148 0 40 FKAB CCCC[C@@H](CC)C(=O)c1ccc(Br)cc1C(F)(F)F 575362467 OJUUHCCWGACWGX-SNVBAGLBSA-N 351.206 5.867 0 40 FKAB Cc1ccc(NC(=O)c2ccccc2O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 993170 RSWVQDKOKYBTFS-SFHVURJKSA-N 373.452 5.206 0 40 FKAB O=C(/C=C/c1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 1389341 LJOZLXUKVNBSNX-AATRIKPKSA-N 361.150 5.059 0 40 FKAB C[C@@H](Nc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn12)c1ccccc1 2202586 IUCPMNDGFQOIBP-QGZVFWFLSA-N 370.500 5.867 0 40 FKAB C(=C/c1ccc(Cc2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1 3204730 ZEVVYVDTBIBCJM-PHEQNACWSA-N 372.511 7.618 0 40 FKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC 3658707 OHDXCHPIAGDRKZ-UHFFFAOYSA-N 361.470 5.208 0 40 FKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(CN(C)C(=O)c5ccccc5)(C4)C2)C3)cc1 3899904 ALCLDLXLAWVOCS-JGSRLKPESA-N 373.540 5.605 0 40 FKAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccccc2C)ccc1O 4733733 PSCBGTBWGCETFI-UHFFFAOYSA-N 359.429 5.076 0 40 FKAB CCCCCC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 4949043 AGXDYZYXDNJFPW-MRXNPFEDSA-N 366.530 6.052 0 40 FKAB Cc1c(C(=O)NCc2cccc(Oc3ccccc3)c2)oc2ccccc12 5234654 PZOWYTKOIADPDL-UHFFFAOYSA-N 357.409 5.464 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 5274748 PTOPAWVETZHSNI-GLEZIHRCSA-N 367.301 5.034 0 40 FKAB Cc1cc(C)c(C)c(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1 5488570 MOHSPWUKZRVONR-UHFFFAOYSA-N 364.319 5.235 0 40 FKAB O=C(NCCC1=CCCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 6530228 AODJOPQHMATASN-UHFFFAOYSA-N 371.484 5.160 0 40 FKAB Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n(C2CCCC2)c1C 7140298 SXGZQLPLTTVZQA-OAHLLOKOSA-N 367.518 5.460 0 40 FKAB Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)o2)ccc1N1CCCC1 8340275 PIBKBIOVNFZDDK-UHFFFAOYSA-N 374.484 5.427 0 40 FKAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 8843818 NRYVTSRQPZXFDS-UHFFFAOYSA-N 355.821 5.180 0 40 FKAB CC[C@@H](NCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(OC)cc1 12930621 IKGGVCWWJOAQFL-JOCHJYFZSA-N 374.484 5.042 0 40 FKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)(C)C 14257971 HTRRXJIJEDMPKY-UHFFFAOYSA-N 350.462 5.911 0 40 FKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 17086084 PGFPAFMZDWVGTN-XIKOKIGWSA-N 354.519 5.025 0 40 FKAB COc1cccc2cc(-c3csc(-c4ccccc4Cl)n3)c(=O)oc12 20728954 DCTWVDVMWDCDAP-UHFFFAOYSA-N 369.829 5.246 0 40 FKAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC(c1ccccc1)c1ccccc1 22525523 RASAWVRYMBTVBZ-JOCHJYFZSA-N 359.469 5.058 0 40 FKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2cccc(Cl)c2Cl)cc1 35671952 IQKBIZCEXPLYTH-UHFFFAOYSA-N 361.228 5.518 0 40 FKAB CN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1SC1CCCC1 58218732 NRSQIUNZOLCJKU-UHFFFAOYSA-N 356.491 5.091 0 40 FKAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1Oc1cccnc1 58417312 CYUDYSHLXFYHSM-VQTJNVASSA-N 362.404 5.064 0 40 FKAB CC(C)(C)[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1cccs1 69485562 WDJNJYPEAFUZHW-SFHVURJKSA-N 365.926 5.440 0 40 FKAB O=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)N1CCCCC1 96942896 ZUPQHXCUJQZDLB-ZPHPHTNESA-N 368.480 5.348 0 40 FKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 216368400 VLDXGLDCALYIKT-GOSISDBHSA-N 374.267 5.943 0 40 FKAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(C)c(C)c1 219047074 SUYCYTUYCOHQOF-AVRDEDQJSA-N 361.485 5.491 0 40 FKAB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 223395064 CPXDOKRKBYKQIH-VFADXPBXSA-N 362.300 5.809 0 40 FKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223467049 CBYFOKRVQOFICK-CTNGQTDRSA-N 353.506 5.264 0 40 FKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 225536640 PNODOIFHVAVTSQ-CYBMUJFWSA-N 352.425 5.370 0 40 FKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(C)c(C)c3)CCCC2)c1 225843306 RJOIMWVHGQYVHN-UHFFFAOYSA-N 366.574 5.844 0 40 FKAB Clc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 226294941 CPCPISHALWVLJS-UHFFFAOYSA-N 370.235 6.381 0 40 FKAB Cc1c(N)cccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226303242 QHCCUPKIXRZBJP-UHFFFAOYSA-N 360.501 5.297 0 40 FKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(COC)cc3)ccc21 408681201 PZVGAUWRYSYBIB-UHFFFAOYSA-N 358.441 5.213 0 40 FKAB COc1cccc(-c2cc(CNc3nc4c(C)c(C)ccc4s3)on2)c1 1776002726 AELQYWDYRKFZKL-UHFFFAOYSA-N 365.458 5.189 0 40 FKAB O=C(C[C@H](c1ccccc1)[C@H]1CCCC1=O)c1ccc(Br)cc1 639164 KMLJRYCKWBCLJW-QZTJIDSGSA-N 371.274 5.175 0 40 FKAB O=C(NC1CCCCCC1)c1ccc(COc2ccccc2Cl)cc1 673153 YEAMJYGPVQSLAZ-UHFFFAOYSA-N 357.881 5.372 0 40 FKAB CCCCc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 2058292 OKMPLKPZLTWEPL-UHFFFAOYSA-N 368.864 5.898 0 40 FKAB CC(C)=CCC/C(C)=C\COc1ccc2c3c(c(=O)oc2c1C)CCCC3 2134087 HPEZDUCDYAGSAM-VKAVYKQESA-N 366.501 6.052 0 40 FKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 2289725 YMBHRJGFIZBBTC-UHFFFAOYSA-N 370.843 5.598 0 40 FKAB Cc1sc2nc(SCc3ccc(C(C)(C)C)cc3)n(C)c(=O)c2c1C 2335200 OSYMZWCMGCHCKE-UHFFFAOYSA-N 372.559 5.202 0 40 FKAB COc1ccc(CNCC[C@@H](CCC(C)C)c2ccc(OC)cc2)cc1 2454064 LUFXWMHKGCJJAY-OAQYLSRUSA-N 355.522 5.404 0 40 FKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2s1 3229233 QFCGQOGNNZEDOZ-NSHDSACASA-N 374.918 5.020 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(F)c(Cl)c1 3266964 UBGNTMWIMXZCSM-UHFFFAOYSA-N 371.220 5.005 0 40 FKAB Clc1ccc2c(SCc3c(Cl)cccc3Cl)ccnc2c1 4419285 YEIIMTPXPGCIGE-UHFFFAOYSA-N 354.689 6.487 0 40 FKAB O=C(OCc1cc(Cl)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 4965742 ASBSDJZWTMZTKQ-UHFFFAOYSA-N 370.823 5.201 0 40 FKAB Cc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 5303281 TUJVEINTWVCGRR-UHFFFAOYSA-N 370.500 6.054 0 40 FKAB O=C(Nc1cccc(C(F)(F)F)c1)OCC12CC3CC(CC(C3)C1)C2 5749938 XLCYLCLIZAXVLU-UHFFFAOYSA-N 353.384 5.470 0 40 FKAB CC(=O)Nc1cccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c1 6293864 MXGPLVONKPYCGH-QHCPKHFHSA-N 372.493 6.003 0 40 FKAB Cc1ccsc1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 6650238 UJCTUQMOAOAMFJ-MRXNPFEDSA-N 366.511 5.161 0 40 FKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Cl)c(Cl)c1 6815563 AZVWEVIZNWDAMQ-UHFFFAOYSA-N 369.679 5.499 0 40 FKAB CC(C)[C@@H](C(=O)Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1 6830921 JSVACEBHKPAYKM-QGZVFWFLSA-N 371.893 5.237 0 40 FKAB COc1ccc(Br)cc1[C@@H]1Nc2ccccc2[C@@H]2OCCC[C@H]12 6954181 CNWPCHAUASEWMT-ZMYBRWDISA-N 374.278 5.092 0 40 FKAB Cc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Br)c1 8368430 RKUWAYMDFVQKNJ-UHFFFAOYSA-N 370.271 6.294 0 40 FKAB Clc1ccc(COc2cccc(CNCc3ccncc3)c2)c(Cl)c1 8418418 IVZOEDYHHQIUFJ-UHFFFAOYSA-N 373.283 5.257 0 40 FKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 8480656 HNKUBBQCSDRAIZ-GFCCVEGCSA-N 371.786 5.382 0 40 FKAB CO[C@]1(C)Oc2cc3c(cc2[C@H](c2cccc4ccccc24)[C@@H]1C)OCO3 8925713 SONOGXSWMVNWJK-AETJINEWSA-N 362.425 5.092 0 40 FKAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 10156561 KESNWWORPHPJQF-OAHLLOKOSA-N 363.848 5.095 0 40 FKAB Cc1ccc(CN(C)Cn2nc(Nc3ccccc3C)sc2=S)cc1 12552730 RYYNVYNMULLBTF-UHFFFAOYSA-N 370.547 5.124 0 40 FKAB Cc1ccccc1-n1c(S[C@@H](C)c2ccccc2)nnc1-c1ccncc1 12642354 YWNZEPGZDSVJLU-KRWDZBQOSA-N 372.497 5.491 0 40 FKAB O=C(CN[C@H]1CCCc2ccccc21)Nc1ccccc1Oc1ccccc1 14123949 OROZGAJYFXQCSG-NRFANRHFSA-N 372.468 5.085 0 40 FKAB O=c1oc2ccccc2c2c1[C@H](c1ccc(F)cc1)C=C(c1ccccc1)O2 19897616 UUZJMTRXPLSITF-IBGZPJMESA-N 370.379 5.498 0 40 FKAB Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 20237753 DBQFBLDGQUEGRZ-UHFFFAOYSA-N 373.827 5.539 0 40 FKAB Cc1ccc(-n2nc(C)c(NC(=O)c3cccc(Cl)c3Cl)c2C)cc1 25056958 ZQVSRJYDSFPEPA-UHFFFAOYSA-N 374.271 5.357 0 40 FKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc2ccccc2c1 31404697 JHAHZZWYQZHXCX-KRWDZBQOSA-N 370.452 5.305 0 40 FKAB CCC(CC)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623358 CHWNHRUOSSPOBC-UHFFFAOYSA-N 369.852 5.432 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 38754854 HFKWYYFZRLVGMH-OAHLLOKOSA-N 373.827 5.868 0 40 FKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 58378166 SQEHLMKFKZQHMK-SJKOYZFVSA-N 368.864 5.185 0 40 FKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OC 62714598 UMKNWZXOXBEIRA-RIYZIHGNSA-N 369.461 5.012 0 40 FKAB C[C@H](c1ccccc1)N1CC=C(c2ccc(OCc3ccccc3)cc2)CC1 79917105 ZXINDPIOCYKBQG-OAQYLSRUSA-N 369.508 6.116 0 40 FKAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc(C)c1Cl 223198123 BODNKAVRSVVYHQ-JKSUJKDBSA-N 371.908 5.090 0 40 FKAB Cc1cccc([C@H](NC(=O)CCc2ccc(C)c(C)c2)c2ccccc2)c1 223312876 GRRQUDYHVMYHLC-RUZDIDTESA-N 357.497 5.450 0 40 FKAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(C)cc2)c2ccccc2O1 224841593 MBXBXMXJIXZULQ-FQEVSTJZSA-N 351.490 5.126 0 40 FKAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)Oc1cccc(Cl)c1 225138595 YSJAJLJVQVWNJD-HXUWFJFHSA-N 368.816 5.207 0 40 FKAB Cc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)c(C)c1 225355484 SZFWZIRWMDVJLY-AWEZNQCLSA-N 350.289 5.420 0 40 FKAB Cc1ccc(NC(=S)NCCSCc2ccccc2F)cc1Cl 225412222 GFUYVWXAOPYNLB-UHFFFAOYSA-N 368.930 5.007 0 40 FKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCCC2 225628517 JBENBIVKTRHVOD-UHFFFAOYSA-N 359.494 5.969 0 40 FKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225826187 ALIJVTOCMYQYBP-HXOBKFHXSA-N 371.521 5.941 0 40 FKAB CCCOc1ccc2ccccc2c1-c1nc(O)c2c(C)c(C)sc2n1 408734757 JFCOHTYJYBQYFL-UHFFFAOYSA-N 364.470 5.623 0 40 FKAB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccccc1 409114300 GVNUXTMKFIJHJR-UHFFFAOYSA-N 372.295 6.493 0 40 FKAB CCCCn1/c(=C/C2=Nc3cccc4cccc2c34)c2cccc3cccc1c32 685944731 YOJLJYUYAYQYOV-KOEQRZSOSA-N 374.487 6.382 0 40 FKAB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1 847526 PVJHACRMPFTUGE-UHFFFAOYSA-N 370.452 5.926 0 40 FKAB COc1cc2c(cc1OC)C([C@H](C)c1ccc(CC(C)C)cc1)=NCC2 978481 BZTQWDPAEGAWRE-MRXNPFEDSA-N 351.490 5.051 0 40 FKAB biogenic CCN(CC)CCC[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc12 1592010 HIWSRDNBRUFDDW-AWEZNQCLSA-N 353.432 5.176 0 40 FKAB CCCCC[C@@H]1CCc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2C1 2271899 WDGLMPAEMFXTSE-OAHLLOKOSA-N 363.423 6.332 0 40 FKAB Cc1cc(C)c(C)c(Cn2c(Cc3ccccc3)nc3ccccc32)c1C 2666072 YCVRDCFZCLUURJ-UHFFFAOYSA-N 354.497 5.909 0 40 FKAB O=C(CSc1nc2cc(Cl)ccc2s1)NC1CCCCCCC1 3221746 KUSOVFMMFPOVPG-UHFFFAOYSA-N 368.955 5.271 0 40 FKAB Cc1nc(-n2cnc3cc(C)c(C)cc32)c2c3c(sc2n1)C[C@H](C)CC3 3326771 QAMFEOWHRSZBQK-LLVKDONJSA-N 362.502 5.080 0 40 FKAB O=C(C[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1)c1ccccc1 3954311 YEANANYGJKAFAG-NRFANRHFSA-N 353.421 5.002 0 40 FKAB in-vitro CC(C)c1ccc(O[P@](C)(=O)Nc2ccc(Cl)cc2Cl)cc1 4119559 SRSQEZXHZNUIMK-QFIPXVFZSA-N 358.205 6.431 0 40 FKAB Cc1ccc(Nc2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1 4400973 LAIVIVTZLJZODO-UHFFFAOYSA-N 370.499 5.102 0 40 FKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971300 XXDNMBNMXVCJHX-GASCZTMLSA-N 370.493 5.293 0 40 FKAB Cc1cccc(-c2nc3c(c(SCCC(C)C)n2)COC(C)(C)C3)c1 5204891 YEXSBXMHUPWKKE-UHFFFAOYSA-N 356.535 5.442 0 40 FKAB Fc1cccc(Cl)c1COc1cccc(C(=S)N2CCCCC2)c1 5860356 WEUHLLTVGMITEO-UHFFFAOYSA-N 363.885 5.220 0 40 FKAB CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 5953280 UIPLQKGTRBQAPO-HEHNFIMWSA-N 371.436 5.043 0 40 FKAB Clc1ccc(-c2nnc(SCc3cccc4ccccc34)o2)cc1 6172326 YJVPKYPIFPVFCG-UHFFFAOYSA-N 352.846 5.836 0 40 FKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccccc2)cc1 6300464 MSTNZCVTLCHEKA-UHFFFAOYSA-N 371.889 5.044 0 40 FKAB Cc1cc(SCC(=O)N(Cc2ccccc2)C(C)C)nc2ccccc12 6400234 YMFNYAAZRYKHGE-UHFFFAOYSA-N 364.514 5.073 0 40 FKAB CN(Cc1ccc(Cl)s1)C(=O)COc1ccccc1-c1ccccc1 7979459 SJVFJCDXFZGZMJ-UHFFFAOYSA-N 371.889 5.106 0 40 FKAB c1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)cc1 8310649 PLSRXNGJYAFGGR-UHFFFAOYSA-N 358.441 5.084 0 40 FKAB Brc1cccc(-c2nnc(SC/C=C/c3ccccc3)o2)c1 8391274 NCHQITKYWRMSTI-VMPITWQZSA-N 373.275 5.305 0 40 FKAB C[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 8404964 FHEBSAUONFQOMM-CYBMUJFWSA-N 356.878 5.297 0 40 FKAB COc1cc(CNC2CCCC2)ccc1OCc1ccc(F)cc1Cl 8471701 XSCVTYBWRRXBPT-UHFFFAOYSA-N 363.860 5.099 0 40 FKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1-c1ccccc1 10411976 HQDGRANWSBCQLQ-UHFFFAOYSA-N 370.456 5.240 0 40 FKAB CC(=O)c1cccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1 12391036 ZUJQPBHWMAVCCR-UHFFFAOYSA-N 370.861 5.227 0 40 FKAB Cc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2CC(C)C)c1C 14356754 VTUHQKNVXSKDKS-LNVKXUELSA-N 354.494 5.861 0 40 FKAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665481 FUVMYWYHMAASKO-MRXNPFEDSA-N 355.478 5.177 0 40 FKAB Cc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1C 16842906 IOPDNONLMSLINM-UHFFFAOYSA-N 363.461 5.445 0 40 FKAB O=C(N[C@@H](c1ccccc1)C(Cl)(Cl)c1ccccc1)c1ccccc1 16924107 CZHBXWZDLKZHAW-IBGZPJMESA-N 370.279 5.488 0 40 FKAB CCCC[C@@H](CC)CN1CN2CN(C[C@H](CC)CCCC)CC2(C)C1 19324115 MSJBLPVXRJMJSY-NHCUHLMSSA-N 351.623 5.026 0 40 FKAB in-man COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)ccc2c1 32740950 ZNTIXYDOCSYPIR-HOTGVXAUSA-N 373.452 5.576 0 40 FKAB Cc1cc(NC(=O)N2CCC[C@H]2c2ccccc2C)ccc1Br 36620534 MOAYROQWCKHHCV-SFHVURJKSA-N 373.294 5.435 0 40 FKAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCCCC2)cc1 38856254 CZPXUXPENIOYAU-UHFFFAOYSA-N 364.533 5.440 0 40 FKAB Cc1cccc(-c2csc3c(=O)n(Cc4cc(C)ccc4C)cnc23)c1 44166764 IDMDZASVXIBTNJ-UHFFFAOYSA-N 360.482 5.099 0 40 FKAB CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc21)C(C)C 45387684 VQXSEHDYYUTOPV-UHFFFAOYSA-N 369.534 5.118 0 40 FKAB CCS[C@@H]1CC[C@H](N(C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 72305265 DHMWXFMXBOQOSR-LEWJYISDSA-N 368.546 5.045 0 40 FKAB Cc1ccc(CN(C(=O)Nc2ccccn2)[C@@H]2CCc3ccccc32)cc1 95389775 QTUBCKBHOXLWNV-OAQYLSRUSA-N 357.457 5.112 0 40 FKAB Cc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1C 96194095 QXGIHDMLZRMQHH-UHFFFAOYSA-N 360.442 5.191 0 40 FKAB Clc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1Cl 107027651 IPHXEKIJQAWHAK-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC(=O)OC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OC(C)=O)[C@@H]3CC[C@@H]2C1 118929725 IYRUIMPGYISENA-NVIDZDKRSA-N 374.521 5.018 0 40 FKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221634 JULLALWIOTYSSL-XOBRGWDASA-N 373.949 5.577 0 40 FKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 224275318 WVFRFGQNHNKJEE-UHFFFAOYSA-N 373.924 5.864 0 40 FKAB COc1cccc(NC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 225759015 CTYRVPBVJVLBKX-IBGZPJMESA-N 366.461 5.043 0 40 FKAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3Cl)cc2)c1 408613836 WHCLBNGNWCAWND-UHFFFAOYSA-N 367.832 5.229 0 40 FKAB Cc1ccc2c(N)c(C(=O)N(c3ccccc3)c3ccccc3)sc2n1 689555 ZRBWXYJPFIJVGH-UHFFFAOYSA-N 359.454 5.165 0 40 FKAB Cc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)c(C)c1 727400 GXOCHXKYKADASB-UHFFFAOYSA-N 364.495 5.394 0 40 FKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1F 826360 GIUKSXUWDWXSOV-UHFFFAOYSA-N 366.779 5.540 0 40 FKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)cc1C 1266735 BPGKBJKIGUFCJE-UHFFFAOYSA-N 372.424 5.373 0 40 FKAB Cc1c(Cl)cccc1N[P@](C)(=O)Oc1cccc(Cl)c1Cl 1312350 UZFLEPZIELTZDA-OAQYLSRUSA-N 364.596 6.269 0 40 FKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 1433943 PJFPISFMXOMLJL-UHFFFAOYSA-N 368.569 5.918 0 40 FKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccccc2)n1 1789778 IAIQEPCPYOCNGV-UHFFFAOYSA-N 354.818 5.314 0 40 FKAB C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5[nH]c6ccccc6c5C[C@@]43C)[C@@H]1CC[C@@H]2O 4721868 XAPHYNIJAGNNNA-JNKWRJHESA-N 363.545 5.486 0 40 FKAB Cc1sc2nc([C@@H](C)Oc3ccc(Cl)cc3Cl)[nH]c(=O)c2c1C 5171424 OGWRMQXGXHFXPI-MRVPVSSYSA-N 369.273 5.048 0 40 FKAB CC[C@@]1(C)C(Nc2c(C)cccc2C)=NC(=S)N1c1cccc(C)c1 5421899 LKVKHOOFKRUJQE-NRFANRHFSA-N 351.519 5.396 0 40 FKAB CN(C)P(=NC(=O)c1cc(Cl)cc(Cl)c1)(N(C)C)C(C)(C)C 5496371 KNCKTGXXUHAHGQ-UHFFFAOYSA-N 364.257 5.087 0 40 FKAB Cc1noc(C)c1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 6200477 HRZXOGVLKDMWSC-UHFFFAOYSA-N 362.454 5.906 0 40 FKAB COc1ccccc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 6776558 QMPSHMYJACQBSE-UHFFFAOYSA-N 358.397 5.064 0 40 FKAB CCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 7261634 MJTAKOZKXHDTAN-UHFFFAOYSA-N 368.304 5.471 0 40 FKAB Fc1ccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 7904382 ACHHPKSGGTVBCV-UHFFFAOYSA-N 372.494 5.045 0 40 FKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 9064409 NCFRYOLMULYKJC-CYBMUJFWSA-N 363.288 5.625 0 40 FKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CCC3CCCC3)ccc1O2 9134875 QBIVKTTWXSRIFY-UHFFFAOYSA-N 364.445 5.262 0 40 FKAB COc1cc(OC)c(NC(=O)c2sc3ccccc3c2C)cc1Cl 11604220 OWWWFYNVNSSJCL-UHFFFAOYSA-N 361.850 5.133 0 40 FKAB Cc1ccc(-c2cc(Cl)nc(SCc3ccccc3Cl)n2)cc1 12016174 NGMVABLQCBJLMK-UHFFFAOYSA-N 361.297 6.051 0 40 FKAB CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12039534 MOWXARNTFQIZBD-ISKFKSNPSA-N 370.452 5.328 0 40 FKAB CCOC(=O)c1sc2cccc(F)c2c1CN(C)Cc1ccccc1C 12599594 MKXIKCQFFUPVME-UHFFFAOYSA-N 371.477 5.158 0 40 FKAB O=C(COC(=O)c1cccc2ccccc12)c1ccc(C2CCCCC2)cc1 12621300 ZLWLAXZVAXWEFG-UHFFFAOYSA-N 372.464 5.927 0 40 FKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CC[C@H](C)C4 12633327 IUIKXWSYXJKZOV-JKSUJKDBSA-N 361.554 6.603 0 40 FKAB C[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1 16576992 SMBOJCBQZICUNY-INIZCTEOSA-N 370.408 5.322 0 40 FKAB Cc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)O)cc1C 19894577 QODOGIDXGVVULJ-UHFFFAOYSA-N 352.459 5.106 0 40 FKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 21706779 RRLRYBQDWZFXLC-UHFFFAOYSA-N 370.408 5.270 0 40 FKAB O=C(CNc1ccccc1OC(F)F)Nc1ccccc1-c1ccccc1 21891075 VRIMLXLHUFYMTE-UHFFFAOYSA-N 368.383 5.006 0 40 FKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 22526792 MWHUNKXORCDLCP-GOSISDBHSA-N 365.901 5.099 0 40 FKAB Cc1ccc2c(C)c(C(=O)N(Cc3cccs3)c3ccccn3)oc2c1 28251712 UYJMGLVJLOUEJM-UHFFFAOYSA-N 362.454 5.353 0 40 FKAB Cc1cccc(COC(=O)c2ccc(COc3cccc(Cl)c3)o2)c1 28577939 APZUAOFXVPPHHE-UHFFFAOYSA-N 356.805 5.177 0 40 FKAB CSc1ncccc1C(=O)N(C1CC1)[C@@H](C)c1cccc2ccccc12 32832530 AXYWRAMMPFYZIB-HNNXBMFYSA-N 362.498 5.323 0 40 FKAB CCSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 32896019 DUWQWJFMVDJBEN-UHFFFAOYSA-N 370.543 5.055 0 40 FKAB C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 40141168 RRMUREHKKVYKDT-JKOKRWQUSA-N 367.333 5.251 0 40 FKAB FC(F)(F)c1nc(N[C@@H]2CCSc3ccccc32)c2ccccc2n1 60846814 UULJVMWUFJXFFH-CQSZACIVSA-N 361.392 5.298 0 40 FKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC 72215257 OUQNPYQOOXIBHM-AEFFLSMTSA-N 361.530 5.169 0 40 FKAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 78476213 KHJHLKXOXVQYJQ-UHFFFAOYSA-N 369.508 5.377 0 40 FKAB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914876 XFQZMLHHLMNCGB-NZXYYOKSSA-N 362.554 5.102 0 40 FKAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccccc1 222714731 OSFQSEDOXRIOLT-LBPRGKRZSA-N 354.302 5.104 0 40 FKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 222718306 KRJDVUQQUKWMHE-UHFFFAOYSA-N 358.334 5.233 0 40 FKAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1 222833736 KKZVJDHHOGEECU-QGZVFWFLSA-N 361.485 5.394 0 40 FKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222992807 FRUUGIJKGWFWQN-GCJKJVERSA-N 367.533 5.636 0 40 FKAB O=C(Cc1ccc(F)cc1)Nc1ccc(CSc2ccccc2)cc1 224007386 FMBWVXBSTROSHK-UHFFFAOYSA-N 351.446 5.299 0 40 FKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COC(C)C 224425274 LCWSPNBHENEPAZ-UHFFFAOYSA-N 368.260 5.179 0 40 FKAB Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)c(Cl)c1 224998802 JZDKCFYKGMINAD-UHFFFAOYSA-N 359.050 5.317 0 40 FKAB S=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CCCc2ccccc21 225462093 KZWYBHDUKDOFPI-NRFANRHFSA-N 366.530 5.372 0 40 FKAB CC(C)c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225809789 HUYILFIHFRITAZ-UHFFFAOYSA-N 370.537 5.748 0 40 FKAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(C)C 408678093 FPPDMENORAEIDN-UHFFFAOYSA-N 361.507 5.051 0 40 FKAB Cc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409380532 GESSNIOGSICKAT-UHFFFAOYSA-N 365.498 5.007 0 40 FKAB CCc1ccc(CCNCc2cc(-c3ccccc3)cnc2Cl)cc1 2037844254 QYSQXNIMOYGTCX-UHFFFAOYSA-N 350.893 5.297 0 40 FKAB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(CCc3ccccc3)=CC[C@@H]12 2049238441 VBTNPIPMZUSOJR-JIGKBLADSA-N 360.585 7.364 0 40 FKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cccc2cccnc12 866191 HNMCTUIJSYDMCK-UHFFFAOYSA-N 364.788 5.071 0 40 FKAB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 1049833 UPBAEJVMOLGIJH-UHFFFAOYSA-N 360.295 5.616 0 40 FKAB O=C(NC1CCCC1)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1 1340905 LBFULFPNEDWYDX-UHFFFAOYSA-N 373.456 5.290 0 40 FKAB Clc1ccc(Cn2c(-c3ccc(Cl)nc3)nc3ccccc32)cc1 1403041 IDVUXGMJQIILJW-UHFFFAOYSA-N 354.240 5.453 0 40 FKAB FC(F)c1cc(-c2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 1413618 WPGKBVGZDHAEIZ-UHFFFAOYSA-N 353.397 5.600 0 40 FKAB COc1cccc(-c2nc(N[C@@H](C)c3ccccc3)c3ccccc3n2)c1O 2240242 ODBFUDADJUDDMB-HNNXBMFYSA-N 371.440 5.184 0 40 FKAB CCCC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2349459 SNYZSCQBUVUIKY-UHFFFAOYSA-N 370.499 5.010 0 40 FKAB Cc1ccc2c(CSc3ccc(C(F)(F)F)cn3)cc(=O)oc2c1C 2617508 IMHMALHUTQNCRG-UHFFFAOYSA-N 365.376 5.116 0 40 FKAB C[C@@H]1CSC(N(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1 3227231 ICPLIYAIWJUOBN-LLVKDONJSA-N 365.285 5.132 0 40 FKAB Clc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccccc4[C@H]3C2)cc1 4133121 LLSSGDAQRIIWOP-XLIONFOSSA-N 350.805 5.175 0 40 FKAB CCCC[C@H](CC)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 4156242 LPRJEJFJTJIBCH-NSHDSACASA-N 371.333 6.272 0 40 FKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc(F)c1 4554528 SFYSDICAEKNBTF-UHFFFAOYSA-N 362.429 5.663 0 40 FKAB Cc1cccc(NC2=NC(=S)N(c3ccccc3C)C23CCCCC3)c1 5427147 DRFKQYNHCNGUQV-UHFFFAOYSA-N 363.530 5.622 0 40 FKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 6243131 YDOLBJQHIQWRNX-OAHLLOKOSA-N 370.518 5.114 0 40 FKAB CC[C@H](C)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 9250312 SPFKRXLGPWYOHL-HNNXBMFYSA-N 350.487 5.505 0 40 FKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCc1ccccc1 9553990 RCDSXWLGYMBQCQ-CVDCTZTESA-N 370.496 5.598 0 40 FKAB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1ccc(Cl)cc1 12258053 DFWPJWQFDDGKGB-FMIVXFBMSA-N 353.805 5.060 0 40 FKAB CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 12435640 KENKUCKZMAYQJU-IBGZPJMESA-N 370.880 5.067 0 40 FKAB COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 13408853 XZYHUDBBIOJHPZ-LDRBJFAESA-N 374.565 5.126 0 40 FKAB C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(C(C)(C)C)cc1 13669767 ZILRUAKZVVBNNB-LWJGVMBGSA-N 373.496 5.995 0 40 FKAB Cc1ccc(OCCS[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 15492234 URGMMDCYKHGCKC-HNNXBMFYSA-N 363.910 5.096 0 40 FKAB Cc1cc(-c2csc(-c3ccc(F)cc3)n2)c(C)n1CC(F)(F)F 15544513 RMMAGOHCJYHJRW-UHFFFAOYSA-N 354.372 5.597 0 40 FKAB O=C1CS[C@H](c2ccccc2Cl)N1c1ccc(C(F)(F)F)cc1 19927057 SYZQSWDZILARDY-OAHLLOKOSA-N 357.784 5.137 0 40 FKAB CCc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 20486303 IDAKXEXKBLINHG-FQEVSTJZSA-N 373.496 5.245 0 40 FKAB Cc1ccc(-c2nn(-c3ccc(F)cc3F)c3c2cnc2ccccc23)cc1 21017253 UBKWETRZALARCQ-UHFFFAOYSA-N 371.390 5.827 0 40 FKAB Cc1cccnc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 32087743 FBSXXQVUPBDPMT-UHFFFAOYSA-N 373.843 5.511 0 40 FKAB CC(C)c1ccc2nc3sc(C(=O)N4CCC[C@@H](C)C4)c(N)c3cc2c1 35313067 MRUOUBKMRMBNJE-CYBMUJFWSA-N 367.518 5.027 0 40 FKAB CCCCOc1ccc2oc(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 46086203 BZZFFJIBMRMPJL-HNNXBMFYSA-N 351.446 5.411 0 40 FKAB Cc1ccc(F)c(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 71325953 AYDGWQKBDGVEDO-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2F)c(Br)c1 71760646 QSEZTTRSQWCRTG-UHFFFAOYSA-N 373.678 5.359 0 40 FKAB Fc1ccc(NC(=S)Nc2ccccc2Br)c(Cl)c1 71761742 HPZQKQUFJLGYGY-UHFFFAOYSA-N 359.651 5.051 0 40 FKAB O=C(CCc1ccccc1F)N[C@H]1CC2(CCCCC2)Oc2ccccc21 222820999 CPYOVDYCFGBBND-FQEVSTJZSA-N 367.464 5.101 0 40 FKAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 225305705 HQWDRAZVXSMBFV-UHFFFAOYSA-N 360.910 5.148 0 40 FKAB Cc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225366777 XDHLXLVBGANNGT-UHFFFAOYSA-N 368.930 5.007 0 40 FKAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C 225665299 PVLHCNVQFWVGQV-VGSWGCGISA-N 361.526 5.488 0 40 FKAB CC(C)(C)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408986711 DBKZZZQVTQXCLC-UHFFFAOYSA-N 352.503 5.630 0 40 FKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c(C)c1 409121758 WEXVISODMLFIMR-UHFFFAOYSA-N 369.867 6.287 0 40 FKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409192980 GVSMXHXSZPNISZ-LICLKQGHSA-N 368.845 5.371 0 40 FKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C)cc1 944200 DVIXWKPFUMRDRD-UHFFFAOYSA-N 354.837 5.425 0 40 FKAB O=S1(=O)CC[C@H](Sc2c(Cl)cccc2Cl)c2ccsc21 1398516 CTSBGBNQFWWYQP-NSHDSACASA-N 365.328 5.066 0 40 FKAB Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1 1398611 IXHRXUGFSMBLCS-UHFFFAOYSA-N 364.257 5.007 0 40 FKAB CCc1cc2cc(-c3nn4c(-c5ccccc5)nnc4s3)sc2s1 2224857 PKUNHCFVPMDESL-UHFFFAOYSA-N 368.512 5.358 0 40 FKAB C[C@H](NC(=O)Nc1cc(F)c(F)cc1Cl)c1cccc2ccccc12 2335148 MFYKNGWHSHFUGR-NSHDSACASA-N 360.791 5.654 0 40 FKAB CCCCCCSc1cc(C(N)=S)cc(SCCCCC)n1 3851008 ZRAAWPHGGSBLJF-UHFFFAOYSA-N 356.626 5.671 0 40 FKAB biogenic OC1=N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Nc2ccccc21 4108230 GPYDVLWVRCDGGS-KRWDZBQOSA-N 359.212 5.682 0 40 FKAB CC(C)CN[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)c1ccccc1 4200595 NIUIUSQEYIIYEC-ZLWLXJDCSA-N 351.471 5.228 0 40 FKAB CC(C)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 4526177 PKZFEPDOJFTTMN-UHFFFAOYSA-N 374.267 6.021 0 40 FKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)o2)N3)C1 4553465 XKBGTQQOAVFWSI-YVEFUNNKSA-N 358.507 5.620 0 40 FKAB CC(C)c1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 4678494 CXYCLJGQZLPTSV-UHFFFAOYSA-N 374.315 6.129 0 40 FKAB C[C@]12Cc3c([nH]c4ccccc34)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 4721864 XAPHYNIJAGNNNA-ZBFZXBLHSA-N 363.545 5.486 0 40 FKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 5219593 TWFRILUTZSKQGL-FYYLOGMGSA-N 374.415 5.077 0 40 FKAB Cc1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1 5541320 HDMMMXYYKBGVJX-UHFFFAOYSA-N 372.295 5.411 0 40 FKAB COc1cccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1 5881662 GJHDYPAQGOLCNQ-UHFFFAOYSA-N 368.436 5.471 0 40 FKAB CC(=O)Nc1cccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c1 6293862 MXGPLVONKPYCGH-HSZRJFAPSA-N 372.493 6.003 0 40 FKAB C[C@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 6609316 CEVHUOYUVZGJDA-HXUWFJFHSA-N 357.497 5.519 0 40 FKAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 10156560 KESNWWORPHPJQF-HNNXBMFYSA-N 363.848 5.095 0 40 FKAB Clc1ccc(COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 12960492 XWJBHJBDOCVXAS-UHFFFAOYSA-N 373.843 5.438 0 40 FKAB Cc1cccc2c1N(C(=O)c1sc3ccccc3c1Cl)[C@@H](C)C[C@@H]2C 15082412 LMWDHWWJWROSRM-KBPBESRZSA-N 369.917 6.406 0 40 FKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1oc2c(Cl)cccc2c1C 15316988 OAJQAFGQVBSLEK-UHFFFAOYSA-N 371.864 5.953 0 40 FKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 20105796 ZMOOOPRPEOGFFH-IJBPVIJFSA-N 363.501 5.082 0 40 FKAB C[C@@H](NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccccc1 20238926 MJDUHJJKGGWLJR-GOSISDBHSA-N 361.510 5.611 0 40 FKAB O=C(Nc1ccccc1Oc1ccccc1Cl)[C@H]1Cc2ccccc2O1 30061206 GZBAUOAVZITPHL-HXUWFJFHSA-N 365.816 5.075 0 40 FKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(F)cc3)n2)cc1 32622703 BXSWTEGZFLVRFU-UHFFFAOYSA-N 373.387 5.103 0 40 FKAB CCN(C(=O)c1sc2cccc(F)c2c1COC)c1ccccc1C 40052656 UDQMVVHDGARZHH-UHFFFAOYSA-N 357.450 5.162 0 40 FKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 46086579 JBIVIVALAYRMFO-UHFFFAOYSA-N 370.836 5.426 0 40 FKAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1F 71761698 FPPXUOLFNSYEDW-UHFFFAOYSA-N 362.779 5.615 0 40 FKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 96586414 AFSOFTDKCPFMEX-GFCCVEGCSA-N 364.272 5.278 0 40 FKAB CC1=C[C@H](C)[C@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccco3)[C@@H]1[C@@H]2C 105365960 YMIQZMUWJPTDGH-OFSNJGSNSA-N 366.457 5.043 0 40 FKAB biogenic Clc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 107039729 SEVRUZDNXNKZNO-UHFFFAOYSA-N 358.268 6.185 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219593166 JBHGNZGCEFMAMK-FGZHOGPDSA-N 369.505 5.065 0 40 FKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(Cl)cc1Cl 222948428 WIPJTVZOVGFXOB-QGZVFWFLSA-N 366.288 5.084 0 40 FKAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Oc1cccc2ccccc12 225086410 MSTGEOXFEVSBNL-SFHVURJKSA-N 361.224 5.221 0 40 FKAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1Cl 225137768 HTGUUNYUNYANNE-NRFANRHFSA-N 365.860 5.176 0 40 FKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)c(C)c1 225478361 QAFDAYZWVGLAMH-QGZVFWFLSA-N 368.546 5.672 0 40 FKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225527021 UICJQDPHQNPZNT-UHFFFAOYSA-N 371.908 5.888 0 40 FKAB Fc1cccc(Cc2ccc(C3CCN(CCc4ccccc4)CC3)nc2)c1 257323577 WKYNXYFBPSHQIU-UHFFFAOYSA-N 374.503 5.234 0 40 FKAB Cc1cc(Cl)c(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1Cl 666421966 APCKBGSTXTVQIO-SUMWQHHRSA-N 371.308 5.115 0 40 FKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC([O])=C(C)C[C@]4(C)[C@H]3CC[C@]12C 1560408750 BCLBYZFHOIUTFV-DNMBFCBBSA-N 359.530 5.665 0 40 FKAB CC1(C)[C@@H](C(=O)Nc2cc(-c3ccc(F)cc3)no2)[C@@H]1C=C(Cl)Cl 1775977157 WMHQTLNNMJEOKT-XHDPSFHLSA-N 369.223 5.010 0 40 FKAB