smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C(CCCC(C)=O)[C@H]1C(=O)OCC(=CC=CC(C)(C)OO)[C@H]1CC(=O)OC 2356406688 DFLACMQIXGYYKQ-IEBWSBKVSA-N 394.464 3.405 50 1 GGGF CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1 169688763 GQVDNDINNYMNGW-JKSUJKDBSA-N 379.445 3.197 50 1 GGGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 586973340 HZKRAYDAJMFZLC-SNVBAGLBSA-N 394.294 3.257 50 1 GGGF CCOC(=O)/C(C#N)=C\Nc1ccc2ncnc(Nc3ccc(O)cc3)c2c1 95602097 UHFZOSRAVYGDJU-QBFSEMIESA-N 375.388 3.461 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccncn1)CC2=O 587456621 SHQHHPUHUCUMKN-KRWDZBQOSA-N 377.238 3.390 50 1 GGGF C[C@@H](Br)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 28954556 JDHBLUYDCDLXQQ-SNVBAGLBSA-N 391.221 3.390 50 1 GGGF CC[C@@]1(CNC(=O)CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686409 UXXPEMIGJQJKHZ-VFZGTOFNSA-N 377.685 3.083 50 1 GGGF C[C@@]12[C@@H]3CC[C@@H](Cl)[C@](C)(O)[C@@]3(C)CC(=O)[C@@]13C(=O)O[C@H](c1ccoc1)[C@@H]32 2356598145 GKJCLJMYPDMELI-RBWJHFQSSA-N 378.852 3.248 50 1 GGGF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)CBr 587649056 OUKKDOXGZBGVBR-UHFFFAOYSA-N 387.299 3.202 50 1 GGGF O=C(N/N=C(COc1cccc(Cl)c1)\N=C\c1cccnc1)c1ccncc1 6004632 YLYZKIDIQNIIFB-JMFVNPTESA-N 393.834 3.371 50 1 GGGF COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1 1857651021 RVQONYJGFBAAAA-KRWDZBQOSA-N 390.823 3.004 50 1 GGGF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(C(=O)NN)cc2s1 587873183 VPDZYCAFZKQZEM-UHFFFAOYSA-N 397.435 3.290 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)([C@@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587416977 HHQOKNJIXMEEMZ-KPHUOKFYSA-N 393.867 3.430 50 1 GGGF CSc1nc2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c(Cl)cc2n1C 1857644403 YSCWHPIHYMTRQY-REZTVBANSA-N 393.812 3.214 50 1 GGGF O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)Cl 28343462 ZRRIGUGWBVHEHB-ZNFPLGDCSA-N 395.315 3.327 50 1 GGGF Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc(=O)oc12 40403303 FKWJHYVDDNZMDV-SRZZPIQSSA-N 379.372 3.011 50 1 GGGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cnc(O)[nH]2)[C@@H]1c1ccc(F)cc1 587327281 OQJZYJWAKURLOU-VQIMIIECSA-N 388.782 3.453 50 1 GGGF Cc1nnsc1C(=O)NN(C(=O)c1ccccc1C(F)(F)F)C(C)(C)C 103206552 STICHGLECAMXAX-UHFFFAOYSA-N 386.399 3.451 50 1 GGGF C=CC[C@@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C 195774432 AJZMFWIZHTZCOB-PMPSAXMXSA-N 380.561 3.347 50 1 GGGF C=CC[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C 195774434 AJZMFWIZHTZCOB-OWCLPIDISA-N 380.561 3.347 50 1 GGGF COc1ccc(-c2nn(C)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1OC 143494664 JRPYVPUCLKTUEM-GOSISDBHSA-N 388.427 3.322 50 1 GGGF CC[C@@]1(CNC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325952 IKTPHSJXVZTTCJ-QUCCMNQESA-N 391.826 3.394 50 1 GGGF CC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962905290 PEJNFXJOFZVCAA-RAJNIJHNSA-N 392.858 3.443 50 1 GGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)C[C@H](O)C(=C)[C@H]23)[C@@](C)(OC(C)=O)CC[C@H]1OO 2356802962 WPIMDQYZTVEQAM-TUGIDLRSSA-N 394.508 3.499 50 1 GGGF C[C@@H](C(=O)N/N=C\c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 473172862 ZKCOTTATFCMYRU-UQXWMBKDSA-N 390.226 3.128 50 1 GGGF CCOC(=O)c1ccccc1[C@]1(CBr)NCCc2c(C)ccnc21 963064425 AAMTWXOEFBCYQX-IBGZPJMESA-N 389.293 3.351 50 1 GGGF O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 103291045 BJKIUBSGPZHIMH-OEAKJJBVSA-N 387.395 3.401 50 1 GGGF CC1(C)CC(=O)C(CC(=O)c2ccccc2)=C(NNC(=O)c2ccncc2)C1 169335456 CPLOGXKZTHQUJR-UHFFFAOYSA-N 377.444 3.232 50 1 GGGF CC(=O)OC[C@@]1(O)C[C@@H](/C(C)=C/C=C/C(C)(C)OO)C[C@H]1[C@H]1C(=O)C=C[C@H]1C 238731375 MXWMKZXEYLQEQX-HQVWMSOPSA-N 392.492 3.469 50 1 GGGF CC(C)c1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1 217490577 CSEQAGQZZZTDDN-JXMROGBWSA-N 387.530 3.149 50 1 GGGF Cc1cc(C)n2c(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)nnc2n1 101967019 YRHGHFDICQQORM-QINSGFPZSA-N 377.433 3.202 50 1 GGGF C=C1[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@H]1[C@H](O)C=C(C=O)[C@@H]2C=O 34660872 OKDTYBVVAITUOQ-XRFYGIFGSA-N 394.467 3.145 50 1 GGGF COC(=O)c1nc2c(O)cc3c(c2o1)[C@H](CCl)CN3C(=O)OC(C)(C)C 49052455 SEUZPAMIBHJSSA-MRVPVSSYSA-N 382.800 3.398 50 1 GGGF CC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190028 WIOLNLIISUKFPS-MBNYWOFBSA-N 384.181 3.369 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4cccc(I)c4[nH]3)ccc21 586905900 GDMIUPSPCOHNNE-UHFFFAOYSA-N 390.136 3.145 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(CO)cc2[nH]1 587009645 OENQENKYVCTSPO-SFHVURJKSA-N 382.851 3.175 50 1 GGGF CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCl)cc34)CC2)S1 1857774258 GERBHAWOLATBEK-UHFFFAOYSA-N 395.985 3.476 50 1 GGGF N#CC(=C(/N)Sc1ccccc1O)/C(C#N)=C(\N)Sc1ccccc1O 34802599 VCXKYIYUQGZFAQ-JYFOCSDGSA-N 382.470 3.370 50 1 GGGF Clc1ccc(CN(CCBr)CCn2cncn2)cc1Cl 95596694 KCTKMZNSQDCEOQ-UHFFFAOYSA-N 378.101 3.482 50 1 GGGF CC[C@@H](Br)C(=O)c1c(CO)oc2cc(Br)cnc12 587274072 RZKBIFSNZCELHT-SSDOTTSWSA-N 377.032 3.439 50 1 GGGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)c3ccco3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772640270 JUELWNXUYXQKDW-QMBUVXEXSA-N 378.421 3.441 50 1 GGGF C=CC(=C)[C@H](C[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C)OO 2356722231 ALXHJBYLXLQHLX-VDUSHUSESA-N 396.524 3.483 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C=O)OC=C1OCc1ccccc1)O2 587413964 UPTKURCVHHCIOE-QFIPXVFZSA-N 377.396 3.452 50 1 GGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1C(=O)OC2=O 587888734 RTZIQASJOOLGBE-UHFFFAOYSA-N 388.206 3.014 50 1 GGGF O=C(CNc1cccc(-n2cccn2)c1)N/N=C/c1c(Cl)cncc1Cl 201289827 ANZIMEGRLGJTRR-GZIVZEMBSA-N 389.246 3.136 50 1 GGGF COC(=O)C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325386 DSHOXLWDVOWQEO-MJGOQNOKSA-N 378.783 3.431 50 1 GGGF CN(C)CCSSCCNC(=O)Nc1nc(-c2ccncc2)cs1 621476387 MLNZSXZXXUIJDZ-UHFFFAOYSA-N 383.568 3.270 50 1 GGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558212 VIJNVPWMUXOITN-XLWVJDPXSA-N 398.745 3.138 50 1 GGGF CC(C)=CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)(C)OO 1642676392 AXIKJXFBAZHPGT-KVFCPIJKSA-N 394.464 3.094 50 1 GGGF C[C@](O)(C=CBr)[C@H](Cl)C[C@@H](O)[C@@](C)(Br)CCl 2356624353 BNEHRLDXDDBGIG-IMSYWVGJSA-N 398.950 3.397 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1Br 95808713 UQPFEBMSYIBZHA-WOJGMQOQSA-N 385.258 3.118 50 1 GGGF COc1ccc(Cl)cc1C#C/C(C=O)=C/Nc1cnc(Br)cn1 587912922 BKFIZYAFGXGJIN-XFFZJAGNSA-N 392.640 3.448 50 1 GGGF CC(=C[C@@H]1C[C@]2(C)OC3=C(C[C@H]2O1)C(=O)CC[C@@H]3O)CC=CC(C)(C)OO 2356334993 RIJUSTJSMDNKKJ-IZQPOCBFSA-N 378.465 3.462 50 1 GGGF C=C1[C@@H](CCC(C)=CC=O)[C@]2(C)C[C@@H](O)C[C@@](C)(COC(C)=O)[C@H]2C[C@H]1O 2356578607 XZQJBUKWKSKQAS-JVTHYKSUSA-N 378.509 3.195 50 1 GGGF COC(=O)[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543817 LNRDWYGHUKJJHZ-KXBFYZLASA-N 376.792 3.285 50 1 GGGF O=S(=O)(CCl)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 103280318 DFQAIPOBKROXLN-UHFFFAOYSA-N 379.909 3.161 50 1 GGGF O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 14951718 RJNDVCNWVBWHLY-WTKGJWSCSA-N 387.480 3.308 50 1 GGGF C[C@H](OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)O[N+](=O)[O-] 299839853 TVOYSHYZECKYPC-CYBMUJFWSA-N 393.267 3.391 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(Cl)ncnc2[nH]1 587009518 JIIMWSMPZZFDJV-LBPRGKRZSA-N 389.246 3.126 50 1 GGGF NNC(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977699 QLXLHWVTYBXHPU-UHFFFAOYSA-N 395.644 3.161 50 1 GGGF CCCN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@@H]32)c2ccccc21 5408299 TVMAWGLOBOWAHG-RGUAHJAXSA-N 397.482 3.437 50 1 GGGF COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC 26155846 QHSLGRRTYQTUMZ-KRWDZBQOSA-N 389.879 3.172 50 1 GGGF O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3)c(F)c2)c1 95808771 CYTXUPAFYOPQQM-YDZHTSKRSA-N 377.375 3.376 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)O2 587382877 UABZNLNNPAYDBD-CZUORRHYSA-N 390.789 3.073 50 1 GGGF COc1cc2c3c(c1)O[C@](CNC(=O)[C@@H](C)Cl)(c1ccccc1)[C@@H](C2)C3=O 587419068 WLRIHWLJLFIYBK-PTPDTQQLSA-N 385.847 3.082 50 1 GGGF N#Cc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1 103219664 APGCVOLOLWPUPF-DAFNUICNSA-N 380.407 3.239 50 1 GGGF CCN(CC)CCOC(=O)[C@](C)(CI)c1ccccc1 27436222 QCKGAKFDFNJIMX-MRXNPFEDSA-N 389.277 3.264 50 1 GGGF COc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCl)cc1Cl 66148553 MXMOMGBMCBBCRU-UHFFFAOYSA-N 395.286 3.279 50 1 GGGF CN(C)CCSSCCCNC(=O)c1cccc(-c2ncccn2)c1 618012605 RHECNEHQHYRLIL-UHFFFAOYSA-N 376.551 3.207 50 1 GGGF C=C1[C@@H]2[C@H](O)C=C(C=O)[C@@H](C=O)[C@@]2(C)[C@@H](OC(=O)C=Cc2ccccc2)C[C@H]1C 2356725928 OKDTYBVVAITUOQ-FDYMPTGISA-N 394.467 3.145 50 1 GGGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccncn1)CC2=O 587456622 SHQHHPUHUCUMKN-QGZVFWFLSA-N 377.238 3.390 50 1 GGGF CCOCCNc1ncnc2c1cnn2C[C@@H](Br)c1ccccc1 13682947 JWVFPCCIPDXDDR-OAHLLOKOSA-N 390.285 3.411 50 1 GGGF COc1cc(NC(=O)c2cccc(NC(=O)[C@H](C)Br)c2)ccc1O 28954553 UQVRKFMSQWCBAV-JTQLQIEISA-N 393.237 3.375 50 1 GGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(O)cc1)[C@@H](C2)C3=O 587412907 KFHORABJWJZXEU-KSSFIOAISA-N 375.218 3.439 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O 587416988 HPXHHLDZBTZAIE-AOMKIAJQSA-N 397.858 3.486 50 1 GGGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2n1C 95562105 WZPRXMVIAAVQOZ-KEBDBYFISA-N 387.237 3.195 50 1 GGGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)NCCc3c(C(=O)O)cccc32)s1 963125007 ROUASLWVGYHABE-NSPYISDASA-N 392.908 3.099 50 1 GGGF CC[C@@H](Cl)Cc1nc(CO)cn1Cc1ccc2cc(-c3nn[nH]n3)ccc2c1 1857560383 AWQRHLIHFZQPPK-QGZVFWFLSA-N 396.882 3.317 50 1 GGGF C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(N2CCOCC2)cc1 4868541 FMWGXWDKCYNOKT-PTGBLXJZSA-N 381.476 3.059 50 3 GGGF O=C(N/N=C/c1ccc(O)cc1)c1cc(Br)c(Br)[nH]1 169702851 PFYJGYDQSUTSJU-GIDUJCDVSA-N 387.031 3.009 50 1 GGGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@@H]2C(=O)Nc4ccccc42)NC(=O)C(C#N)=C31 1857763254 CZPQVCFKYUKISP-GBXCKJPGSA-N 394.434 3.304 50 1 GGGF COc1cc2c3c(c1)O[C@@](c1ccc(CNC(C)=O)o1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417029 IKYGVYRJUPIJQZ-YERPZDBWSA-N 389.835 3.195 50 1 GGGF C[Si](C)(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1857650448 FRQLYOZVSRAGAX-UHFFFAOYSA-N 397.572 3.487 50 1 GGGF O=C(CBr)NCCc1nc2cccc(OCc3ccccc3)c2[nH]1 586971473 SQESKBUXTUECEU-UHFFFAOYSA-N 388.265 3.196 50 1 GGGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1ccc(N(C)C)cc1)NCC2 962919559 LBJPUABVMNUAJQ-LJQANCHMSA-N 391.357 3.394 50 1 GGGF Cc1nc(C)c([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962969450 FIPXOEVIUQCLGW-BDJLRTHQSA-N 391.201 3.304 50 1 GGGF COc1cccc(COc2ccc(/C=N/NC(=O)c3cc(O)cc(O)c3)cc2)c1 653909280 WOZUAXOZGMABRZ-YDZHTSKRSA-N 392.411 3.449 50 1 GGGF O=C(CBr)NCCc1nc2cc(Cl)cc(Br)c2[nH]1 586971727 XMQSIZPOYIDMSM-UHFFFAOYSA-N 395.482 3.032 50 1 GGGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCl)(c2cscn2)N1 962645191 VODIUOCVTIWDRK-FZMZJTMJSA-N 392.786 3.123 50 1 GGGF CO[P@](=O)(c1cc(C)cc(F)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425613 VURBZLFNLWYOEG-RUZDIDTESA-N 380.743 3.243 50 1 GGGF C=CC/N=C(\S)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103195920 FGGARZALAYBCKS-UHMRPQOVSA-N 383.510 3.479 50 1 GGGF O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCCCO2 1772592594 NLESRVVTBLIDTA-VXLYETTFSA-N 375.768 3.173 50 1 GGGF O=C(N/N=C/c1cccnc1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473166227 FBQUYTPZKIQWOQ-YDZHTSKRSA-N 385.383 3.268 50 1 GGGF CC[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)NSN1)c1cc(C(C)C)co1 2356692731 IXPWNULVCAYTKS-CQSZACIVSA-N 383.477 3.356 50 1 GGGF COCCCN1CCc2ccc(OC)cc2[C@@]1(CCl)CNCc1ccco1 961325083 PKDGUILVIGLPDS-OAQYLSRUSA-N 392.927 3.407 50 1 GGGF COc1ccc([C@@H]2Oc3ccc(/C=C/C=O)cc3O[C@H]2COC(C)=O)cc1OC 653695821 OVXUANSEDBFTLK-YRPZLXNTSA-N 398.411 3.360 50 1 GGGF C[C@H](Cl)C(=O)NC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689977 YHPPQANDLXJHDM-OLBFVZFUSA-N 377.685 3.081 50 1 GGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2cc(Cl)ccn2)N1 962918435 HQCWGHJAZJXGBD-LRDDRELGSA-N 399.647 3.112 50 1 GGGF COc1cc2c3c(c1)O[C@@](CNC(=O)[C@H](C)Cl)(c1ccccc1)[C@@H](C2)C3=O 587419070 WLRIHWLJLFIYBK-SAZGQGMLSA-N 385.847 3.082 50 1 GGGF COc1ccc(Cl)cc1C#Cc1sc(C(=O)NN)cc1Br 587919100 RXIGJXZTYLYPSC-UHFFFAOYSA-N 385.670 3.176 50 1 GGGF O=C(/C=C1/Nc2cc(Cl)c(Cl)cc2NC1=O)N/N=C/c1ccccc1O 1857617446 BXBWARFTKSNDEJ-BOQZEXEDSA-N 391.214 3.097 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)N(C)C)cs1)O2 587409991 KFSZUABPTCJRCI-SFHVURJKSA-N 378.881 3.440 50 1 GGGF Cn1nncc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326361 LFJNZQPOQVYCAT-PKOBYXMFSA-N 387.798 3.153 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](CBr)(CC(=O)OCC)CC2=O 587456414 OKHPEFDXJKASTM-QGZVFWFLSA-N 385.254 3.397 50 1 GGGF CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCC[C@H](O)C3)cc2)cc1 1857745824 GKNNEWHUNQFSME-MEGCXXLRSA-N 383.517 3.129 50 1 GGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)C(C)=CC)[C@H]12 2356426381 WKHLFLBJNFQCAE-YSTOQKLRSA-N 388.460 3.233 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CNC(C)=O)s1)[C@@H](C2)C3=O 587450916 MCJSWMJWXGCJKA-LIRRHRJNSA-N 391.876 3.275 50 1 GGGF CCOc1cc(C(=CC#N)c2ccc(OC)c(NC(=O)[C@H](C)N)c2)ccc1OC 1857623323 HQKLMNBLQVGJKB-AWEZNQCLSA-N 395.459 3.343 50 1 GGGF Cc1cc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1O 962919671 KKOMWOIJYUIHLS-MAUKXSAKSA-N 394.240 3.077 50 1 GGGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2COC(C)=O)ccc1O 2356595735 RATHWHQMVNHBER-LAUBAEHRSA-N 398.411 3.402 50 1 GGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356426382 WKHLFLBJNFQCAE-ZRNYENFQSA-N 388.460 3.233 50 1 GGGF O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cc2ccccc2cc1O 33406548 BCAKPSMACJGYOT-HAHDFKILSA-N 375.428 3.146 50 1 GGGF [C-]#[N+][C@@H]1C[C@H](OCC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 261097166 FPLDLPYGGFMVEZ-OIISXLGYSA-N 398.442 3.068 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cnc(Cl)[nH]c-2n1 587009728 PJLKAHXMHSZRMP-LBPRGKRZSA-N 389.246 3.078 50 1 GGGF COc1ccc(Br)cc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 60238493 WZOUDNOILSMWED-MFOYZWKCSA-N 378.182 3.130 50 1 GGGF C=C(c1ccccc1)[C@@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43491161 OZIHMPBFBKBBQQ-GNZRSQJKSA-N 376.405 3.094 50 1 GGGF Cn1ncc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587328800 VPWZNQIMNITXSQ-IEBWSBKVSA-N 387.798 3.153 50 1 GGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)c1ccccc1CC[C@H]2Br 962894038 HAWPOGDODRLEPC-SCTDSRPQSA-N 390.252 3.378 50 1 GGGF Oc1nc(O)c2ccc([C@H](Br)Cc3ccc(F)cc3F)nc2n1 587367965 DIBGJKRMHMDOAO-SNVBAGLBSA-N 382.164 3.393 50 1 GGGF Cc1cccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)c1 653862817 OCUNTXXSIMOHMT-FSJBWODESA-N 392.411 3.455 50 1 GGGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=O)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)O 2356313408 YKSQIXGEPIKIQP-AQUCMXFHSA-N 390.476 3.330 50 1 GGGF O=[N+]([O-])c1ccc([C@H]2CCN[P@](=O)(N(CCCl)CCCl)N2)cc1 43524426 VNDOXBRBPLSQCB-JCQPUDPBSA-N 381.200 3.107 50 1 GGGF CC(C)CNCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 84690766 IDDGFISGHBHSPG-RCQQOWRMSA-N 383.529 3.457 50 1 GGGF CC(C)(C(=O)NCCc1ccccc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147510255 OOAILACLZJKFAA-OMCISZLKSA-N 382.485 3.134 50 1 GGGF COC(=O)C[C@@H](C)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169338607 JGJKXYPSEXJMRR-CAEZWFICSA-N 384.469 3.163 50 1 GGGF COC(=O)[C@H](C)CO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169371851 ZNDFKLONMXLMAH-ITRKVSLHSA-N 384.469 3.020 50 1 GGGF COCCOc1nc(-c2ccccc2)n(-c2ccc(NC(=O)CCl)cc2)n1 653875536 PDTRQXHUHHXTKI-UHFFFAOYSA-N 386.839 3.137 50 1 GGGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2/N=C/CCn2nnc3ccccc32)cc1 66262779 BATFVIUUJZPEIA-CTBXHZBKSA-N 383.839 3.007 50 1 GGGF CCOC(=O)C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544998 PXKROHOFAAZKQV-VQIMIIECSA-N 376.792 3.285 50 1 GGGF Cc1c(O)ccc2c1[C@@](CCl)(c1nc3ccccc3s1)N[C@H](C(=O)O)C2 963524323 LAIIYMCLSUVYGF-DJJJIMSYSA-N 388.876 3.392 50 1 GGGF OCCCc1cn(CCCCCCCCCI)nn1 473136525 SBRBLNDVUWIISU-UHFFFAOYSA-N 379.286 3.369 50 1 GGGF COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2COC(C)=O)ccc1O 5857314 RATHWHQMVNHBER-GQANSBOFSA-N 398.411 3.402 50 1 GGGF CC[C@]1([C@@H](Cl)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542648 HZFKVZLOHUCHAE-LJHODMEESA-N 376.792 3.283 50 1 GGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccc(F)cc1 103206168 SVKMKEIRRXRYJI-DZGCQCFKSA-N 378.190 3.326 50 1 GGGF COc1ccc(OC(F)(F)F)cc1C(=O)NCCSSCCN(C)C 618008927 NYTJPRAVHFNNQW-UHFFFAOYSA-N 398.472 3.267 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587420795 IZOCVRGHJZVOAO-JXBWDGJFSA-N 381.856 3.333 50 1 GGGF COc1cccc(C(=O)c2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)c1 587932823 QVPHMPUEGPYAKO-UHFFFAOYSA-N 386.411 3.073 50 1 GGGF O=[N+]([O-])c1cn(CCN(CCBr)Cc2cccc(Cl)c2)cn1 96926855 KYCUMEXFHKRMHH-UHFFFAOYSA-N 387.665 3.342 50 1 GGGF N[C@@H]1c2c(Br)sc(Br)c2C(=O)[C@H]1Br 73224351 UNMZOEWRNJQSET-IUYQGCFVSA-N 389.894 3.233 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCN4C=O)[C@@H](C2)C3=O 587418296 TZOWNUTXUFECHJ-KKSFZXQISA-N 383.831 3.096 50 1 GGGF Cc1nc(C(F)(F)F)ccc1C(=O)NCCCSSCCN(C)C 618017344 OSZDEBXMLGBLET-UHFFFAOYSA-N 381.489 3.472 50 1 GGGF COc1cc(-c2cc(-c3ccc(-n4ccnc4)cc3)nc(N)n2)ccc1OO 98083436 HBVCQMATKYFCRM-UHFFFAOYSA-N 375.388 3.439 50 1 GGGF CCOC(=O)/C(C#N)=C\Nc1ccc2ncnc(Nc3cccc(O)c3)c2c1 95604771 USNPPJASGNJSGW-QBFSEMIESA-N 375.388 3.461 50 1 GGGF COc1ccnc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587413383 NTPURUWZHSLPBM-ACJLOTCBSA-N 390.233 3.137 50 1 GGGF C[C@@]12Oc3ccccc3[C@H](O)[N@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857615062 OUFZTPSBAIMOHM-CWBXHPNXSA-N 377.380 3.442 50 1 GGGF CC(C)=CC(=O)OC1CCC(C=C(C#N)C(C#N)=CC2=C[C@@H](O)[C@H](O)CC2)CC1 2356841461 NIYKAVYJADRYQA-NIEVQPDJSA-N 396.487 3.397 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC=O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100840886 UQIGQDUVWOUYMJ-LJQKDAIMSA-N 394.386 3.342 50 1 GGGF CCOC(=O)C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544997 PXKROHOFAAZKQV-QFBILLFUSA-N 376.792 3.285 50 1 GGGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc(NC=O)c3C(=O)[C@]2(O)[C@@H]1N=C 2356436400 KUYNYZIXDYKMEA-FSLMLFNKSA-N 388.895 3.349 50 1 GGGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccn3C)cc2)nc2ccccc21 1772634574 JRQONKHEPPNIBY-LFVJCYFKSA-N 381.439 3.439 50 1 GGGF Oc1nc(O)c2ccc([C@H](Br)Cc3c(F)cccc3F)nc2n1 587367929 AVIKPKLRPSNMPB-SECBINFHSA-N 382.164 3.393 50 1 GGGF Cc1nc(COc2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)cs1 587020035 CTVONECTTSSCKU-UHFFFAOYSA-N 379.445 3.177 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC=O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100840889 UQIGQDUVWOUYMJ-UQVLRELKSA-N 394.386 3.342 50 1 GGGF CC(=O)O[C@]1(O)CC[C@H](C(C)=CC=CC(C)(C)OO)[C@@H]1[C@@H]1C(=O)C=C[C@H]1C 2356545421 SMHGBAYGYMMHKI-GHNMMOQISA-N 378.465 3.426 50 1 GGGF O=C1NC(CCl)=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)N1 73310933 XJKNYPGMONOBCF-QGZVFWFLSA-N 378.856 3.363 50 1 GGGF CO[P@](=O)(c1cc(C)cc(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425702 JJIUDIOMHICFAJ-RUZDIDTESA-N 376.780 3.412 50 1 GGGF C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@H]1[C@@]2(C)C[C@@H](O)[C@@H]2C[C@@]21C 166189702 YATDYZPKJKQYDK-LZAQNNIQSA-N 399.369 3.263 50 1 GGGF CC(C)CNCCO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911573736 IDDGFISGHBHSPG-BWTDTTKRSA-N 383.529 3.457 50 1 GGGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1 1857594085 MGBWUABPWICTMN-UHFFFAOYSA-N 376.434 3.178 50 1 GGGF COc1cccc([C@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)c1 103175391 LRZLCCSZASARJS-HOCLYGCPSA-N 390.226 3.196 50 1 GGGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C/c3ccccc3)cc2s1 653780745 FALPSGAUHKDLPA-VXLYETTFSA-N 384.417 3.004 50 1 GGGF NC(=O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587546033 USVADEWKHICQPS-OXQOHEQNSA-N 399.786 3.180 50 1 GGGF COC(C)(C)[C@@H](Br)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586970822 HNTULRVMKTVFLH-HNNXBMFYSA-N 382.302 3.256 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NS(C)(=O)=O)cc1)O2 587408079 DSRMPAOQQWQGRL-SFHVURJKSA-N 394.880 3.048 50 1 GGGF CCOc1cc(/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1OC(F)F 587131042 UDGYYNAPKVXAHO-YWEYNIOJSA-N 388.374 3.337 50 1 GGGF COC(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323878 NGZURCLOJCVBMS-VDZJLULYSA-N 378.783 3.429 50 1 GGGF CC[C@]1([C@H](Cl)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542650 HZFKVZLOHUCHAE-YJLNNSPDSA-N 376.792 3.283 50 1 GGGF Cn1cccc1[C@]1(CCl)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643803 WBUWLLUZKZWCBW-BZNIZROVSA-N 388.773 3.005 50 1 GGGF Oc1cc2c(cc1O)C[C@H](N(CCBr)CCBr)CC2 29553257 JIMVFICCSOCOPG-GFCCVEGCSA-N 393.119 3.047 50 1 GGGF COC(=O)C[C@H](C)O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911577174 JGJKXYPSEXJMRR-PWUBZXMISA-N 384.469 3.163 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O 587423855 WNHDNQNJQRRWRX-YCRPNKLZSA-N 383.831 3.462 50 1 GGGF Oc1nc(O)c2ccc([C@@H](Br)Cc3ccc(F)cc3F)nc2n1 587367964 DIBGJKRMHMDOAO-JTQLQIEISA-N 382.164 3.393 50 1 GGGF COCCCN1CCc2ccc(OC)cc2[C@]1(CCl)CNCc1ccco1 961325079 PKDGUILVIGLPDS-NRFANRHFSA-N 392.927 3.407 50 1 GGGF CC(=O)NCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)o1 587370544 ABAGSQZOINZHFE-WLRWDXFRSA-N 376.840 3.294 50 1 GGGF O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1cc2ccccc2nc1Cl)c1ccncc1 1772614189 JVFWUOYIWHAPPI-LSDHHAIUSA-N 387.226 3.119 50 1 GGGF COC(=O)C1=CN(c2ccc(OC)cc2)C(N)=C(C#N)[C@H]1c1ccccc1F 95571048 PTUJVSBMBRCHRD-LJQANCHMSA-N 379.391 3.189 50 3 GGGF COC(=O)CC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543896 MKGRGUJFNXSMLM-QFBILLFUSA-N 376.792 3.285 50 1 GGGF COC(=O)CCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43241880 UPDSIDSLDGLENK-IQSDECSOSA-N 384.469 3.164 50 1 GGGF O=C(O)CCC/C=C\C[C@H]1[C@H]2CO[C@@H](C2)[C@@H]1CNNC(=O)Nc1ccccc1 101492207 FWVHUCQOTDZRJR-PULDADEUSA-N 387.480 3.165 50 1 GGGF N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCCCC2)cc1 38626099 HGXUEISOXOJSKC-JOCHJYFZSA-N 391.471 3.475 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308382 AIPYBBZQYWLGQV-PXYXXOMASA-N 386.492 3.385 50 1 GGGF Oc1cc2c(cc1O)C[C@@H](N(CCBr)CCBr)CC2 29553260 JIMVFICCSOCOPG-LBPRGKRZSA-N 393.119 3.047 50 1 GGGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587371240 FDAYAHWRVWEMRI-QITLCBANSA-N 396.281 3.408 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)[C@@H]2Br)N1 587684943 RNIWCUTUPMSABU-ISEFBEROSA-N 391.078 3.444 50 1 GGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)Cc1cccnc1 1857572723 YNNPMYLHWVPUDB-SSDVNMTOSA-N 384.823 3.086 50 1 GGGF O=[N+]([O-])c1ccc([C@@H]2CCN[P@@](=O)(N(CCCl)CCCl)N2)cc1 43524429 VNDOXBRBPLSQCB-NPMABZOXSA-N 381.200 3.107 50 1 GGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1O 95809030 JTUCSLZBUMQWLW-HYARGMPZSA-N 399.447 3.233 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)([C@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587416978 HHQOKNJIXMEEMZ-XBHMSOGKSA-N 393.867 3.430 50 1 GGGF Cc1cc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1O 962919672 KKOMWOIJYUIHLS-YJBOKZPZSA-N 394.240 3.077 50 1 GGGF O=C(CCc1ccc(O)cc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 72177287 VSJOBAQBEVSJDM-UHFFFAOYSA-N 378.215 3.104 50 1 GGGF C[C@@H](C[C@H]1C(=O)N(C)C(=C[C@@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 2356474905 HPESIQPIRSOIDD-WEDXCCLWSA-N 390.138 3.439 50 1 GGGF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]34C)[C@@H]1CCC(=O)O2 28871059 LQJBTOOIUSOKCJ-UFTZPVOZSA-N 399.325 3.382 50 1 GGGF O=C1c2ccc(O)cc2O[C@@](CBr)(C(=O)O)[C@@H]1c1ccc(F)cc1 587319862 DFHYAVXETSLKKN-RHSMWYFYSA-N 395.180 3.109 50 1 GGGF CN(C)/C=C(\C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543821 LRCKSTCDCMRTPW-ZKGXKFBCSA-N 384.819 3.300 50 1 GGGF O=C(N/N=C(COc1ccccc1Cl)\N=C\c1cccnc1)c1ccncc1 6004630 ACVSBESZIOOPFQ-JMFVNPTESA-N 393.834 3.371 50 1 GGGF COc1ccc(Br)c(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1 103187512 KUOOOTMHDLCBHH-MFOYZWKCSA-N 378.182 3.130 50 1 GGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(Cc2ccccc2)N1 962897353 MLQLZUPOWTUYPM-YJBOKZPZSA-N 378.241 3.258 50 1 GGGF CO[C@@H]1OC[C@]2(O)[C@H](Cl)CC[C@@H]3[C@]12CC[C@H](C)[C@@]3(C)CCC1=CC(=O)OC1 238764197 NAYPHLPWUYNNEZ-DUYVOWMDSA-N 398.927 3.424 50 1 GGGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccc(F)cc12)c1ccccc1 96271121 OOMPWLQABODRLE-NTEUORMPSA-N 377.375 3.435 50 1 GGGF COC(=O)C1=CN(c2ccc(OC)cc2)C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 95604611 XVUKXNHXPUVNFN-FQEVSTJZSA-N 391.427 3.058 50 3 GGGF O=C1c2ccc(O)cc2O[C@@]2(C=C(CCl)OCC2=O)[C@@H]1c1ccc(F)cc1 587325731 GWXDCLCQUUAESJ-UYAOXDASSA-N 388.778 3.351 50 1 GGGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=CC1=C(C=O)C(=O)OC 2356780724 GECMIUBZTNLYLS-CYBMUJFWSA-N 380.444 3.084 50 1 GGGF COc1ccc(OCC(=O)NNC(=S)NCCCCC2CCCCC2)cc1 96285245 GKZNTTMHVCTPDM-UHFFFAOYSA-N 393.553 3.320 50 1 GGGF CCOc1ccc(-c2cc(C(=O)NN)c3c(C)nn(-c4ccccc4)c3n2)cc1 28640702 MZCPBSQBAQYPBV-UHFFFAOYSA-N 387.443 3.398 50 1 GGGF CC(C)[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197765 NEGNMVLEWKWZND-SFHVURJKSA-N 395.463 3.132 50 1 GGGF CC(=O)NCc1ccc([C@@]2([C@H](C)Cl)c3ccsc3CCN2C(N)=O)s1 962720900 YJIFFGHITPKNJF-DYZYQPBXSA-N 397.953 3.253 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4ccc(I)cc4[nH]3)ccc21 586907255 VIWYPTLWVOFAPG-UHFFFAOYSA-N 390.136 3.145 50 1 GGGF CC(C)(C(=O)NCc1ccccc1F)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147644912 ZPEBUUZBCQAWAX-WLRTZDKTSA-N 386.448 3.231 50 1 GGGF CCCOc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 1857547479 LBOUTYQAWHOGBB-UHFFFAOYSA-N 384.457 3.252 50 1 GGGF CC(C)(C)OC(=O)NN(Cc1ccoc1)c1nc(C#N)ncc1Br 58575152 QUXHWILVAVVKID-UHFFFAOYSA-N 394.229 3.150 50 1 GGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)C[C@H](O)C(=C)[C@H]23)[C@](C)(OC(C)=O)CC[C@H]1OO 2356802963 WPIMDQYZTVEQAM-ZIINTYDKSA-N 394.508 3.499 50 1 GGGF N[P@@](=O)(OCc1c(F)cc([N+](=O)[O-])cc1F)N(CCCl)CCCl 64540300 XOVXVZDTUATFHL-HSZRJFAPSA-N 392.126 3.236 50 1 GGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(OC)c1OC 38626045 RDCFTPNPKAMYTM-IBGZPJMESA-N 391.427 3.422 50 1 GGGF C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 3810624 ZWNZDIPJNHSCRQ-MOHQOPMHSA-N 386.488 3.488 50 1 GGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356542414 ZWNZDIPJNHSCRQ-WENLIBGGSA-N 386.488 3.488 50 1 GGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCC[C@H]2Br)N1 963228678 IHMUPPHVSNUJMF-JZXOWHBKSA-N 375.266 3.367 50 1 GGGF COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1/N=C/CCn1nnc2ccccc21 66251558 IJBCQCJQWGWALM-SMTKDUBBSA-N 383.839 3.007 50 1 GGGF COc1ccccc1NS(=O)(=O)c1ccc2nc(CBr)[nH]c2c1 586972351 NIENDTOQPMAUJU-UHFFFAOYSA-N 396.266 3.267 50 1 GGGF O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1 36184825 IZYLAGKQCFJFQX-UHFFFAOYSA-N 384.244 3.098 50 1 GGGF COc1ccc(CN2C(=O)[C@@H]3SS[C@H]2C(=O)N3Cc2ccccc2)cc1 1857599771 GVHYTHYFFQESBD-OALUTQOASA-N 386.498 3.113 50 1 GGGF CCN(CC)CCOC(=O)[C@@](C)(CI)c1ccccc1 27436218 QCKGAKFDFNJIMX-INIZCTEOSA-N 389.277 3.264 50 1 GGGF CCOC(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543878 MGVRPWIUNLZYHY-DKSSEZFCSA-N 376.792 3.283 50 1 GGGF CN(C)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324909 VNEPNKMSQNZIQJ-IMFGXOCKSA-N 391.826 3.345 50 1 GGGF COc1ccc2c(CCO[P@](N)(=O)N(CCCl)CCCl)noc2c1 27621191 BOFVGRLHVDRPTI-DEOSSOPVSA-N 396.211 3.242 50 1 GGGF C[C@H](C(=O)NO)N(Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 34801924 RNNMDWQPJWMEIA-GOSISDBHSA-N 394.411 3.312 50 1 GGGF O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCOCC1 621477474 MSRQRLZRBBBQFF-ISFVMCMQSA-N 393.480 3.225 50 1 GGGF C[C@H](Cl)C(=O)NC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324064 OUMDVKPLNSXIRI-DHFGEULSSA-N 391.826 3.392 50 1 GGGF O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1F 12638344 XEWQOFBJAYTGRP-CCHVVGMOSA-N 395.272 3.321 50 1 GGGF O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc(Br)cc1 28964382 WPSIBOHPCSHFPV-UHFFFAOYSA-N 381.233 3.422 50 1 GGGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1 72179583 XOQOXRAMMDRTBP-MRVPVSSYSA-N 378.215 3.275 50 1 GGGF COc1cc(/C(=N/NC(C)=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC 40938949 SSCSKELMHPIZTF-BSYVCWPDSA-N 381.432 3.093 50 1 GGGF O=[N+]([O-])c1cncn1CCN(CCBr)Cc1ccccc1Cl 96926837 IYJUSNMILWJTPW-UHFFFAOYSA-N 387.665 3.342 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)oc(=O)n4C)[C@@H](C2)C3=O 587419026 WCZXZVDTZLWYAQ-RNODOKPDSA-N 385.803 3.022 50 1 GGGF O=CC1=COc2cc(F)ccc2[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962704855 DJWPZSCHOZPHHK-VQIMIIECSA-N 391.320 3.190 50 1 GGGF O=CNNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772639199 PZNQOBVZZHQSHX-PKNBQFBNSA-N 398.426 3.263 50 1 GGGF O=[N+]([O-])c1cn(CCN(CCBr)Cc2ccccc2Cl)cn1 96926854 XCTVCXPVRXBIQS-UHFFFAOYSA-N 387.665 3.342 50 1 GGGF COc1cc2c3c(c1)O[C@@](CNC(=O)[C@@H](C)Cl)(c1ccccc1)[C@@H](C2)C3=O 587419065 WLRIHWLJLFIYBK-PKQAIAMASA-N 385.847 3.082 50 1 GGGF CCc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 95554362 AHJNLHAQHXQVRK-UHFFFAOYSA-N 381.885 3.410 50 1 GGGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206160 PFPRRXCQEZVGSC-HOCLYGCPSA-N 390.226 3.196 50 1 GGGF COC(=O)C1=C(C#N)N=C(C)/C(=C(/O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 100029094 PACPWXNEPUQIBI-ORMOWBNMSA-N 385.376 3.298 50 1 GGGF Cc1onc(-c2nc3cc(C(=O)NN)ccc3[nH]2)c1COc1ccccc1Cl 587063794 XNIFLIVKGDDRLX-UHFFFAOYSA-N 397.822 3.362 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)C=O)N1 587671316 QUYZXZWZNONIGA-IDALBHDPSA-N 379.067 3.300 50 1 GGGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(Cl)c(Cl)c21)c1ccc(O)cc1 72182476 NHAGGEOHJLOAFY-MRVPVSSYSA-N 378.215 3.275 50 1 GGGF C[C@@H]1CC[C@H]2[C@]3(CC(c4ccccc4)=NO3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 473151881 SBERJHQIYWVWPO-HSDBLFKZSA-N 399.443 3.322 50 1 GGGF C[C@]12[C@@H]3[C@@H](c4ccoc4)OC(=O)[C@]31C(=O)C[C@]1(C)[C@@H]2CC[C@H](Cl)[C@@]1(C)O 238788665 GKJCLJMYPDMELI-IDNHXSBXSA-N 378.852 3.248 50 1 GGGF N#C/C(=C\c1cc(O)c(O)c(CSc2nc3ccccc3s2)c1)C(N)=O 12352695 YKKHGAQJLNLGMM-VZUCSPMQSA-N 383.454 3.392 50 1 GGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 34056751 UCSBXBMSRGBXJX-IBGZPJMESA-N 381.432 3.362 50 1 GGGF CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587371235 FDAYAHWRVWEMRI-PNPHSEOMSA-N 396.281 3.408 50 1 GGGF Cc1c(O)ccc2c1[C@@](CSC#N)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 963547952 CMBCVXPPPBZCPB-HNAYVOBHSA-N 388.876 3.411 50 1 GGGF N#CC1=CC=CC(=NC2=C(Nc3cccc(Cl)c3Cl)NSN2)C1=O 2356626708 HAFZWUULKIKMID-UHFFFAOYSA-N 378.244 3.318 50 1 GGGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2cccc(-c3ccc(F)cc3)c21 72180164 LMSKTRXVOCZRNM-UHFFFAOYSA-N 389.386 3.213 50 1 GGGF COc1ccc(O)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1 95809049 DFCJVUVDBMBXNO-HYARGMPZSA-N 399.447 3.146 50 1 GGGF C[N+](C)(C)CC(=O)N/N=C(/C=C/c1ccccc1)C[C@@H]1OC(=O)c2ccccc21 16957887 UOZWALISYBCCPJ-GHXVWMHJSA-O 392.479 3.180 50 1 GGGF O=C(CCl)Nc1ccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)cc1 1857547844 XPEQCZADHXOEMM-UHFFFAOYSA-N 383.843 3.164 50 1 GGGF Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(-n2ccnc2)cc1 1857627667 MCEJVLJRUOFSGL-LJQANCHMSA-N 394.438 3.491 50 1 GGGF O=C(CCl)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 27198980 HHFKNZYLMCEJQE-IBGZPJMESA-N 398.890 3.072 50 1 GGGF CC(=O)OCC=C(COC(C)=O)C[C@@H](C=C(C)CCC=C(C)C=O)OC(C)=O 2356602599 FWUMLHDMPGDCOH-OAQYLSRUSA-N 394.464 3.233 50 1 GGGF O=C1OC(=O)[C@H]([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c2ncccc21 961748188 JAUWXLABBVWJSB-HOCLYGCPSA-N 399.244 3.044 50 1 GGGF C[C@@H](Cl)C(=O)Nc1c(-c2ccc3c(O)nc(O)nc3n2)oc2ccccc12 587366882 RGRIPETVGUAOLL-MRVPVSSYSA-N 384.779 3.415 50 1 GGGF CN(C)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324918 VNEPNKMSQNZIQJ-XKGZKEIXSA-N 391.826 3.345 50 1 GGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc2c1OCO2 38544579 OFFMORUYNAIENL-SFHVURJKSA-N 375.384 3.134 50 1 GGGF Cn1ncc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587328803 VPWZNQIMNITXSQ-PKOBYXMFSA-N 387.798 3.153 50 1 GGGF COc1ccc2c(c1)OC=C(C=O)[C@]21NCCc2cnc3c(OC)cccc3c21 963053152 GSRPGBAJMMNZOW-QHCPKHFHSA-N 388.423 3.117 50 1 GGGF CCOC(=O)N1CCC(=NNC(=O)c2ccc(C(F)(F)F)cc2F)CC1 1772629579 RQXQZFCHXAWFLM-UHFFFAOYSA-N 375.322 3.183 50 1 GGGF COc1ccc(/C=N\NC(=O)c2cc(OC)ccc2Br)c(OC)c1 103183827 DDZJJBXHIMHWOC-GRSHGNNSSA-N 393.237 3.239 50 1 GGGF COC(=O)C[C@@H](C)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43664229 JGJKXYPSEXJMRR-NMAMLNBJSA-N 384.469 3.163 50 1 GGGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2c(F)cccc12)c1ccccc1 96271119 VXUIGSSEDRWECS-GXDHUFHOSA-N 377.375 3.435 50 1 GGGF Cc1nnsc1C(=O)N(NC(=O)c1cccc(C(F)(F)F)c1)C(C)(C)C 103214461 FSUNPKREGJKUEY-UHFFFAOYSA-N 386.399 3.451 50 1 GGGF CCN(COOC(C)(C)C)c1c2c(N)nc(=N)nc-2[nH]c2cc(Cl)ccc12 43469866 QKWKHKRFQURJJT-UHFFFAOYSA-N 390.875 3.308 50 1 GGGF COC(=O)C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325387 DSHOXLWDVOWQEO-PKOBYXMFSA-N 378.783 3.431 50 1 GGGF O=C(COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1)Nc1ccccc1 33341724 CCINUCVYCWIIPV-UCQKPKSFSA-N 389.411 3.174 50 1 GGGF CN(C)CCSSCCCNC(=O)c1cc(OC(F)(F)F)ccc1N 618008300 DQZNDTSSMDZCLM-UHFFFAOYSA-N 397.488 3.230 50 1 GGGF N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 933856 CYDMLZFDOVYJPB-GOSISDBHSA-N 392.802 3.417 50 1 GGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)OC2=O 587884017 BIUKRSIUGZNATJ-UHFFFAOYSA-N 388.206 3.014 50 1 GGGF O=C(O)CCC/C=C\C[C@H]1[C@H]2CO[C@H](C2)[C@@H]1CNNC(=O)Nc1ccccc1 13650879 FWVHUCQOTDZRJR-QELUMAHBSA-N 387.480 3.165 50 1 GGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@@H]2[C@@H]1c1cc2c(C)n[nH]c2cc1F 169703257 AALHLPVAYBUAFB-STQMWFEESA-N 378.285 3.415 50 1 GGGF CCN(CC)c1ccc([C@@]2(C(F)(F)F)Nc3ccnn3C(N)=C2C#N)cc1 621477596 DGESSRNYYWJQSE-QGZVFWFLSA-N 376.386 3.263 50 1 GGGF CN(C)CCSSCCCNC(=O)Cc1ccc(Br)cc1 618009073 ROQLRCIPALDNNT-UHFFFAOYSA-N 391.400 3.441 50 1 GGGF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(CCl)ccc2oc1=O 26576703 OMZQBJVVNZMDEV-QGZVFWFLSA-N 399.830 3.046 50 1 GGGF O=C1C(=O)N(CCCCl)c2c(Br)cc(Br)cc21 72125198 XCQBYTNIOWJSJY-UHFFFAOYSA-N 381.451 3.370 50 1 GGGF CCOC(=O)N1CCC(=NNC(=O)c2ccc(F)cc2C(F)(F)F)CC1 1772653035 UIFOPKVZWRVGEM-UHFFFAOYSA-N 375.322 3.183 50 1 GGGF C/C(=N/NC(=O)c1cccs1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O 169325939 KWJRQOKTUYTEGA-JMIUGGIZSA-N 397.485 3.299 50 1 GGGF COC(=O)[C@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543815 LNRDWYGHUKJJHZ-DNVCBOLYSA-N 376.792 3.285 50 1 GGGF CCCCNS(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972464 SFRYBXFZWDSDKN-UHFFFAOYSA-N 388.331 3.359 50 1 GGGF CO[P@@](=O)(c1cccc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59426109 HVAHBIRQPQOZSG-NEBYQIEGSA-N 399.774 3.332 50 1 GGGF Cc1cc2c(cc1O)[C@@](C)(c1csc(C(=O)CCl)c1)N[C@H](C(=O)O)C2 963494185 YDQVOTAWCDVPFT-SCLBCKFNSA-N 379.865 3.046 50 1 GGGF COc1cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc(OC)c1OC 3474535 AKNXWZBPGGNKTE-LSHDLFTRSA-N 382.338 3.495 50 1 GGGF COc1ccc(Cl)cc1C#Cc1cnc(N/C=C(\Br)C=O)cn1 587912948 BZVOHDPBXDSBME-GHXNOFRVSA-N 392.640 3.386 50 1 GGGF COC(=O)C1=CC[C@@H]2[C@](C)(CC=CC(C)(C)O)[C@H](Cl)C[C@H](O)[C@@]2(C)[C@H]1C=O 2356465246 LDXUQWSFYSAZTE-NWUJQAFJSA-N 398.927 3.023 50 1 GGGF C[C@]12[C@@H]3[C@@H](c4ccoc4)OC(=O)[C@@]31C(=O)C[C@@]1(C)[C@H]2CC[C@@H](Cl)[C@]1(C)O 2356598144 GKJCLJMYPDMELI-FNWJPDCMSA-N 378.852 3.248 50 1 GGGF CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 103210798 RZXMPCIMXSIVGD-WTNDLDAUSA-N 383.410 3.124 50 1 GGGF CC1(C)C[N@]1P(=O)(NC(=O)OCc1ccc([N+](=O)[O-])cc1)[N@@]1CC1(C)C 1857535885 PTSHRNFVXFCUOE-OALUTQOASA-N 382.357 3.118 50 1 GGGF CCCN1/C(=C(\C#N)C2=NS(=O)(=O)c3ccccc32)N(C)c2ccccc21 33850416 OOKFAWNVBYKFTE-HMMYKYKNSA-N 378.457 3.280 50 3 GGGF Cc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c(C)c1 473146946 DURQBOPDSBRQQG-UHFFFAOYSA-N 382.869 3.431 50 1 GGGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(O)c1)[C@@H](C2)C3=O 587414037 RDJZFFNKRLJQNX-KSSFIOAISA-N 375.218 3.439 50 1 GGGF CC(=O)OC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327720 RBJHRBWIPIVYLZ-IEBWSBKVSA-N 378.783 3.431 50 1 GGGF COc1cc(/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Br 586976359 IMBIDKIYQILWEJ-XVNBXDOJSA-N 387.237 3.108 50 1 GGGF COc1ccc2c(c1)OC=C(C=O)[C@]21c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962640241 ZGYFPFJOTYTXHW-QKFKETGDSA-N 395.455 3.308 50 1 GGGF CCCS(=O)(=O)Nc1n[nH]c2ccc([C@H]3C(C#N)=C(C)N=C(C)[C@@H]3C#N)cc12 169694585 WRCJDQCOMLIFGQ-MAUKXSAKSA-N 396.476 3.210 50 1 GGGF Cc1cc2c(c(O)c1O)[C@@]1(O)OC(=O)[C@@](C)(CC2)[C@H](C(C)C)[C@H]1Br 2356802980 WPNLKYNJHXWRKN-OZTIQUGLSA-N 399.281 3.096 50 1 GGGF C[n+]1ccc([C@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)cc1 38145332 JFHFEAUXSRVQCH-VUZMPXBXSA-N 389.504 3.118 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)ccc21 586906943 HQSYPFFGJCIIGZ-UHFFFAOYSA-N 378.569 3.351 50 1 GGGF CC(=O)OC[C@]1(O)C[C@H](C(C)=CC=CC(C)(C)OO)C[C@@H]1[C@H]1C(=O)C=C[C@@H]1C 2356515383 MXWMKZXEYLQEQX-XUOLFHMWSA-N 392.492 3.469 50 1 GGGF CCOc1ccc(C(=O)CCC(=O)NCCSSCCN(C)C)cc1 618007674 DYMKGEWDDQZRCW-UHFFFAOYSA-N 384.567 3.107 50 1 GGGF NCCCCNCCCCNCc1ccc(N(CCCl)CCCl)cc1 29135363 FAJMPGWTMOZFOS-UHFFFAOYSA-N 389.415 3.169 50 1 GGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@H](O)[C@@H]12 2356704387 RJMZKVMAXFDSJD-ZFJRXVOLSA-N 396.483 3.369 50 1 GGGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1O 1857639752 GLDLYCZKSHDDOB-BJPPMWOHSA-N 393.821 3.310 50 1 GGGF COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1 986696 NAXABKCSEHONAO-UHFFFAOYSA-N 376.412 3.202 50 3 GGGF CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587371241 FDAYAHWRVWEMRI-WBHUJUFNSA-N 396.281 3.408 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)[C@@H]2Br)N1 587681276 KFICLQKNICWEAC-IYCUSSIYSA-N 391.078 3.444 50 1 GGGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 253883971 QQTFYANRDKCCPR-FYZZASKESA-N 388.485 3.237 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cn(-c4cccc(C)c4)nn1)[C@@H](C2)C3=O 587423768 VXTWGWBYPUQEKQ-HRAATJIYSA-N 395.846 3.466 50 1 GGGF CCN(CC)S(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972024 CEOGUWRVCYTRRB-UHFFFAOYSA-N 388.331 3.311 50 1 GGGF Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(O)c2)cc1 299854976 ARVYRMFRXKLXDS-YDZHTSKRSA-N 389.411 3.422 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cl)C(=O)N(C)C)N1 587687897 IZPZQXJQMMPAPJ-YVILZHTOSA-N 377.685 3.033 50 1 GGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@H](O)[C@H]12 2356704385 RJMZKVMAXFDSJD-JHZIQSPXSA-N 396.483 3.369 50 1 GGGF C[C@H](Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587507114 APEUXHYUTXCPGD-LFVRLGFBSA-N 394.471 3.203 50 1 GGGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1cc2ccccc2nc1Cl)c1ccncc1 1772614188 JVFWUOYIWHAPPI-HUUCEWRRSA-N 387.226 3.119 50 1 GGGF O=C1c2ccc(O)cc2O[C@]2(C=C(CCl)OCC2=O)[C@H]1c1ccc(F)cc1 587325729 GWXDCLCQUUAESJ-ICSRJNTNSA-N 388.778 3.351 50 1 GGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356542410 ZWNZDIPJNHSCRQ-VGSGFSFPSA-N 386.488 3.488 50 1 GGGF Cc1ccc(C)c(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 473152880 WPRFYYLTIYSNIM-UHFFFAOYSA-N 382.869 3.431 50 1 GGGF CC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190029 WIOLNLIISUKFPS-OBJOEFQTSA-N 384.181 3.369 50 1 GGGF Nc1ccc2c3c(n(CCCCl)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 27187408 QQWMOZNGXUHMRL-UHFFFAOYSA-N 382.803 3.153 50 1 GGGF CC(=O)OC[C@]1(O)C[C@H](C(C)=CC=CC(C)(C)OO)C[C@@H]1[C@@H]1C(=O)C=C[C@H]1C 2356515380 MXWMKZXEYLQEQX-GPPVHMAASA-N 392.492 3.469 50 1 GGGF C[C@H](Cl)C(=O)NC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689975 YHPPQANDLXJHDM-CEFVDNRUSA-N 377.685 3.081 50 1 GGGF C[C@]1(C(=O)CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539259 VBCRSCSDQPUIOR-WMLDXEAASA-N 377.190 3.077 50 1 GGGF C=CC(=C)[C@@H](C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C)OO 238745044 ALXHJBYLXLQHLX-FMDNEZFQSA-N 396.524 3.483 50 1 GGGF Cc1cccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)c1 653878530 ZJMRMFXXUPQQAH-DAFNUICNSA-N 384.439 3.476 50 1 GGGF O=C(NNS(=O)(=O)c1ccccc1)c1cc(Cl)cc(-c2ccco2)c1 1857615287 DMQALROOXPYKGS-UHFFFAOYSA-N 376.821 3.223 50 1 GGGF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(=O)[C@H]2CC[C@]1(C)[C@@]2(C)CBr 962915757 BMCVEMHCIPZBRL-YJQAKTFBSA-N 394.357 3.285 50 1 GGGF CCOc1ccc(F)c(CCNC(=S)NN2C=C[C@@H](Cl)C=N2)c1Cl 169684770 ZKCQUDRPGUHJOM-SNVBAGLBSA-N 391.299 3.222 50 1 GGGF COc1ccc2ccc(=O)oc2c1C(/C=C/c1ccc(C)cc1)=N/NC(N)=O 299862189 JICGEJOVJUHWTA-CBVNATGFSA-N 377.400 3.196 50 1 GGGF N=c1nc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc[nH]1 587497304 BXVNSSBEOUTMCH-GOSISDBHSA-N 388.265 3.024 50 1 GGGF COC(=O)c1ccc(-n2cc(CNC(=O)Nc3cccc(CCl)c3)nn2)cc1 96908817 GFGHCPRCWMDYSM-UHFFFAOYSA-N 399.838 3.114 50 1 GGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)c(F)c1 95809051 QMNNKIYLUMPTPS-LPYMAVHISA-N 387.411 3.276 50 1 GGGF CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)(C)OO 1642676394 AXIKJXFBAZHPGT-NXVOGEQNSA-N 394.464 3.094 50 1 GGGF CCOC(=O)C1([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)CC1 587374572 PERQAXSIVIUIIC-KRWDZBQOSA-N 382.254 3.019 50 1 GGGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1nc2c(Cl)cccc2s1 35794507 FQMQYBHNDFGEDG-LLVKDONJSA-N 398.271 3.448 50 1 GGGF COC(=O)[C@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 98085368 WAJOBFCGOZCGKK-ZYDYZHFSSA-N 399.397 3.349 50 1 GGGF COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587420284 HMQCJCXOCSEMGG-ZUOKHONESA-N 389.835 3.308 50 1 GGGF O=C(CCl)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 1857561493 WNQZQBURAAEGNK-UHFFFAOYSA-N 383.843 3.164 50 1 GGGF O=C(N/N=C/c1ccccc1O)c1nc(-c2cc3ccccc3oc2=O)cs1 1857597980 DNCDTDAVUMKQQN-UFFVCSGVSA-N 391.408 3.386 50 1 GGGF COc1ccc(/C=N/NC(=O)CNc2cc(C)nc3ccccc23)cc1OC 72141178 BFHCNDDLLSCHAQ-FSJBWODESA-N 378.432 3.123 50 1 GGGF O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cc(O)c(O)c(O)c1 653907622 OIVXGDPKKKEGBG-FOKLQQMPSA-N 396.374 3.285 50 1 GGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CSC#N)c1ccc(O)c(O)c1 963603243 BTWARHRQAQLIEY-ODXCJYRJSA-N 386.473 3.107 50 1 GGGF CCOC(=O)c1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)c(O)c2)cc1 43080698 ODRFRWNNFRPYHW-QURGRASLSA-N 386.408 3.157 50 1 GGGF N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCCN1CCCCC1 40789668 COOASCUEVDEWSX-UHFFFAOYSA-N 398.599 3.005 50 1 GGGF CCn1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)Cl 587881530 ORJRFYZIVZQNBB-UHFFFAOYSA-N 398.677 3.299 50 1 GGGF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 586968280 BKOQWADOXUTKIN-UHFFFAOYSA-N 385.449 3.490 50 1 GGGF COc1cc2c(cc1OC)[C@]1(C(=C(C#N)C#N)C(=O)c3ccccc31)N(C)[C@@H](C)C2 962645298 ZJGZUBOBEKUPME-LFPIHBKWSA-N 399.450 3.364 50 1 GGGF C[C@@H]1CC[C@H]2CC(=O)N(CCCCCC(=O)O)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43397090 MRAMJFZKEBTQTB-KDDNCGOXSA-N 381.469 3.079 50 1 GGGF C[C@H](Br)C(=O)Nc1cccc(C(=O)NC(=O)Nc2ccccc2)c1 40936607 IVJFKNUMPQTJFZ-NSHDSACASA-N 390.237 3.370 50 1 GGGF COc1cc2c3c(c1)O[C@@](C)([C@@H](Cc1ccccc1)NC(=O)CCl)[C@@H](C2)C3=O 587418895 BPZFDCRUBSHJDR-AQOAWAETSA-N 399.874 3.168 50 1 GGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)c1ccccc1CC[C@@H]2Br 962894037 HAWPOGDODRLEPC-LNLFQRSKSA-N 390.252 3.378 50 1 GGGF O=C1OC(=O)[C@@H]([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c2ncccc21 961748185 JAUWXLABBVWJSB-GDBMZVCRSA-N 399.244 3.044 50 1 GGGF COC(=O)[C@@H](C)CO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169339151 ZNDFKLONMXLMAH-FLYPWCNCSA-N 384.469 3.020 50 1 GGGF CO[C@@]1(C)OO[C@]2(CC[C@H]3C[C@@H]2C3(C)C)C[C@H]1CNCCCn1ccnc1 1857612038 UZQAAABOBOYJOL-GCGJSEPQSA-N 377.529 3.388 50 1 GGGF CC[C@H]1Oc2ccccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C=O)[C@]21C(=O)Nc2ccccc21 1772655170 KKYRGGZYEAHXSD-WXKUFDLXSA-N 387.435 3.402 50 1 GGGF COc1cc(O)c2c(c1)C(=O)c1cc(CBr)cc(OC)c1C2=O 29339977 LQUHQYYLJCGZIM-UHFFFAOYSA-N 377.190 3.080 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cncnc1)CC2=O 587455561 CULZWOLZNIMJQJ-KRWDZBQOSA-N 377.238 3.390 50 1 GGGF CCC(=O)NCCc1c(OC(=O)CBr)ccc2ccc(OC)cc12 13775877 VWPQHNJGNUWZMK-UHFFFAOYSA-N 394.265 3.217 50 1 GGGF C=C(C)[C@H](O)CC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@H](C=O)C(C(=O)OC)=CC[C@H]21 2356454572 PMPHZBAWDOYBGN-WCWCYBCOSA-N 398.927 3.023 50 1 GGGF O=[N+]([O-])c1ccc([C@H]2CCN[P@@](=O)(N(CCCl)CCCl)N2)cc1 43524433 VNDOXBRBPLSQCB-ZLOXQWCVSA-N 381.200 3.107 50 1 GGGF CC(C)(N)CNC(=O)O[C@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 653713001 DKFRIPPHGZGDAU-KKAUCKHYSA-N 394.512 3.220 50 1 GGGF Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 653865366 SXWOWOJNVMSEBZ-FSJBWODESA-N 392.411 3.455 50 1 GGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OC(C)C)s1)C(C)C 103207692 CIQJJDGAJCAGAV-NXVVXOECSA-N 381.498 3.033 50 1 GGGF Cc1nc(-c2cccc(F)c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653899358 GKQGJHOWGSJVSZ-QQTULTPQSA-N 388.402 3.307 50 1 GGGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccnc2)c1 13779090 MRCKDNXAKWMRQU-UHFFFAOYSA-N 386.415 3.238 50 1 GGGF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 2356542310 XMWOVKVFIVCVPN-BAYUQKDNSA-N 392.492 3.289 50 1 GGGF COc1cc2c3c(c1)O[C@@](CNC(=O)CCCl)(c1ccccc1)[C@@H](C2)C3=O 587424324 YWVIWEYPHLLYGE-KKSFZXQISA-N 385.847 3.083 50 1 GGGF CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N1C[C@H](N2CCCC2)CS1(=O)=O 209909755 ZOGJRVKTPPLSGP-IRXDYDNUSA-N 390.666 3.143 50 1 GGGF COc1cc2c3c(c1)O[C@](/C(C#N)=C\N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427091 GSVDRYUVDHNZAZ-LZCUEKDWSA-N 378.403 3.446 50 1 GGGF O=C(CBr)NCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586971759 YIZMVZDYCRMDHQ-UHFFFAOYSA-N 382.205 3.228 50 1 GGGF COc1ccc(Cl)cc1C#Cc1ccc(O[C@H](C)C(=O)NN)c(Cl)c1 587902427 UKVUPAYSSLRMDI-LLVKDONJSA-N 379.243 3.159 50 1 GGGF CC[C@@H](C)C(=O)C1=C(O)[C@](O)(C(=O)/C=C/C(C)(C)OO)[C@@H](CC=C(C)C)C1=O 1642676712 UFVOOGJDPDMPRH-QIYLPXSBSA-N 394.464 3.094 50 1 GGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(OC)c1OC 34339151 COTBKSMMGHHTBB-QGZVFWFLSA-N 377.400 3.412 50 1 GGGF COc1ccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1OC 15952118 QGBYWUKEABDSBD-UHFFFAOYSA-N 395.415 3.089 50 3 GGGF CN(C)CCSSCCN(C)C(=O)c1ccc(O)c(Br)c1 618009886 MGJBCXUQFOAMJP-UHFFFAOYSA-N 393.372 3.170 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCN4C=O)[C@@H](C2)C3=O 587418294 TZOWNUTXUFECHJ-HRAATJIYSA-N 383.831 3.096 50 1 GGGF N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCCC2)cc1 38934620 VSLYFUGBCWJBOI-OAQYLSRUSA-N 377.444 3.085 50 1 GGGF COc1cc(C(O)=C(C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc(OC)c1OC 1857742440 UPKVLHPMAWUVNV-UHFFFAOYSA-O 392.435 3.474 50 1 GGGF COC(=O)[C@@H](C)CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43504110 ZNDFKLONMXLMAH-GOGGVXEJSA-N 384.469 3.020 50 1 GGGF CC(C)C[C@]1(c2cccc(B(O)O)c2)NCCc2cc(-c3ccccc3)ccc21 962675566 ZWSDUKYYGGUYPU-RUZDIDTESA-N 385.316 3.469 50 1 GGGF COc1cc2c(cc1OC)[C@]1(C(C=O)=COc3cccc(OC)c31)N(C)[C@H](C)C2 962567985 KPTBPNICQBMTRI-FATZIPQQSA-N 395.455 3.308 50 1 GGGF COc1ccc2c(c1)OC=C(C=O)[C@@]21c2cc(OC)c(OC)cc2C[C@H](C)N1C 962640238 ZGYFPFJOTYTXHW-PSLXWICFSA-N 395.455 3.308 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)N(C)C)cs1)[C@@H](C2)C3=O 587450985 HNAYTZXMFDMZCD-ORAYPTAESA-N 391.876 3.340 50 1 GGGF CC(C)=CC[C@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)(C)OO 1642676391 AXIKJXFBAZHPGT-CPYFXGCJSA-N 394.464 3.094 50 1 GGGF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)NCCO 64625196 GOUQZQORWGWEFM-WLOFLUCMSA-N 395.540 3.044 50 1 GGGF in-vitro COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(OC)c1OC 40587737 HXYIXKRPUAGFQE-LJQANCHMSA-N 389.411 3.479 50 1 GGGF COc1cccc(COc2cccc(/C=N/NC(=O)c3cc(O)cc(O)c3)c2)c1 653909209 AFNHGWXCFXDXFQ-YDZHTSKRSA-N 392.411 3.449 50 1 GGGF O[C@@H](C=C(Br)Br)C(Br)Br 85921941 ZDAIYBKGMCKLDE-REOHCLBHSA-N 387.691 3.094 50 1 GGGF O=C(O)c1coc([C@]2(CCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727758 AQDVFNKLLIGKDM-MLGOLLRUSA-N 387.741 3.106 50 1 GGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@@H](O)[C@H]12 2356704384 RJMZKVMAXFDSJD-DEHYRCKRSA-N 396.483 3.369 50 1 GGGF C=CC[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195505937 AJZMFWIZHTZCOB-ARFHVFGLSA-N 380.561 3.347 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cl)C(=O)N(C)C)N1 587689868 XKSIOMMWDUYRSJ-YVILZHTOSA-N 377.685 3.033 50 1 GGGF CC(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587410876 RANXIVFXVOEQJE-IBGZPJMESA-N 392.908 3.417 50 1 GGGF COc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1 73141152 NFNJNYZAYKYWKS-PGGKNCGUSA-N 389.333 3.319 50 1 GGGF CC1(C)C[N@@]1[P@](=O)(NC(=O)OCc1ccccc1[N+](=O)[O-])[N@@]1CC1(C)C 1857535773 LSFSZBLLDIFDHS-XTIHSXFESA-N 382.357 3.118 50 1 GGGF O=C(NCc1cn(-c2ccc3cn[nH]c3c2)nn1)Nc1cccc(CCl)c1 96908818 ZRTNXMFRCIIMEV-UHFFFAOYSA-N 381.827 3.204 50 1 GGGF O=C1NCCCC[C@H]1N(CCCCCl)S(=O)(=O)c1ccc(Cl)cc1 28957791 GOJLGVSOANZXRR-OAHLLOKOSA-N 393.336 3.018 50 1 GGGF O=C1c2ccccc2C(=O)c2c(O)c(CN(CCCl)CCCl)cc(O)c21 473083665 PCRAINYXUPQFIA-UHFFFAOYSA-N 394.254 3.153 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C=O)OC=C1OCc1ccccc1)O2 587413963 UPTKURCVHHCIOE-JOCHJYFZSA-N 377.396 3.452 50 1 GGGF O=C(O)c1cccc2c1CCN[C@]2(CCl)c1ccc(N2CCCC2=O)cc1 963131283 NGWSRFHDTJUXEZ-OAQYLSRUSA-N 384.863 3.140 50 1 GGGF CC(C)(C)OC(=O)NN(CC1CC=CC1)c1nc(C#N)ncc1Br 58581865 JKNROZYPWDXWPQ-UHFFFAOYSA-N 394.273 3.323 50 1 GGGF Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 299857600 FPFFYXHRBBICBA-UHFFFAOYSA-N 398.422 3.334 50 1 GGGF Cn1nncc1[C@@]1(CCl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963198537 WDDPFAVKSBDLRH-TZIWHRDSSA-N 377.879 3.420 50 1 GGGF COc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(O)c3)cc2)c1 653909243 IVKUHAAMCUTVNM-YDZHTSKRSA-N 392.411 3.449 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)O2 587382875 UABZNLNNPAYDBD-BBRMVZONSA-N 390.789 3.073 50 1 GGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)CBr)N1 587673776 PVXQBVGZMRMBRL-WPPNPWJKSA-N 379.067 3.302 50 1 GGGF CC(=O)NCc1ccc([C@@]2([C@H](C)Cl)NCCc3c(C(=O)O)cccc32)s1 963125008 ROUASLWVGYHABE-WLRWDXFRSA-N 392.908 3.099 50 1 GGGF IC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772621701 OEBAWRRRIKOYQV-MGCOHNPYSA-N 381.221 3.314 50 1 GGGF COC(=O)CCCO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169364891 UPDSIDSLDGLENK-LOPQUMMPSA-N 384.469 3.164 50 1 GGGF CC(=O)C1(c2ccccc2)CCN(Cc2oc(CCl)cc(=O)c2O)CC1 64516326 ACADOAYOBAEMDW-UHFFFAOYSA-N 375.852 3.207 50 1 GGGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587374312 VZURRMQQYVRTKN-IBGZPJMESA-N 376.840 3.408 50 1 GGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356542403 ZWNZDIPJNHSCRQ-KPUOSGPGSA-N 386.488 3.488 50 1 GGGF COc1cc2c3c(c1)O[C@](c1ccc(CNC(C)=O)o1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417027 IKYGVYRJUPIJQZ-PGASGAKPSA-N 389.835 3.195 50 1 GGGF COc1ccc2c(c1)[C@]1(C(C=O)=C(N)O2)c2ccc(C(F)(F)F)c3c2CCN31 962698216 GJCSAWCUELPNIP-IBGZPJMESA-N 388.345 3.095 50 1 GGGF N#Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 13779131 HFBMZGINBOQMIT-UHFFFAOYSA-N 396.410 3.406 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC(=O)O)s1)[C@@H](C2)C3=O 587453140 UVWNBEBTWGZLGD-SGTLLEGYSA-N 378.833 3.266 50 1 GGGF O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C(=O)N1CCCl 299820161 GBFROFPUZTUHCL-PKOBYXMFSA-N 395.846 3.391 50 1 GGGF Cc1cc2c(cc1F)[C@@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)NCC2 962089699 HPYYTBIRTXAUMG-HOCLYGCPSA-N 378.797 3.267 50 1 GGGF COc1cccc(NC(=O)C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)c1 73296322 JGZUUTCJIJTSPY-WLRTZDKTSA-N 384.457 3.422 50 1 GGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccc(F)cc1 103206170 SVKMKEIRRXRYJI-ZFWWWQNUSA-N 378.190 3.326 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 95808709 UZRFAFHXQNOELA-WOJGMQOQSA-N 385.258 3.118 50 1 GGGF CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1C[C@H](N2CCCC2)CS1(=O)=O 209909080 ZOGJRVKTPPLSGP-DLBZAZTESA-N 390.666 3.143 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 473172576 XVSNEMZIAMIIGC-UHFFFAOYSA-N 389.260 3.468 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc21 586907028 JEUTUMKCNMDWLE-UHFFFAOYSA-N 388.133 3.211 50 1 GGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(F)ccc1O 95808754 KRHLSIZLOJMUJC-LPYMAVHISA-N 387.411 3.276 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3[C@]4(C)CCC[C@@H]1[C@@]23OO4 1772592981 RGEIMLPVQGAOIE-JQCSLBCESA-N 382.453 3.061 50 1 GGGF N#CC(=C(/N)Sc1cccc(N)c1)/C(C#N)=C(\N)Sc1cccc(N)c1 34056712 QCFHXBSQZYGLNU-YTEMWHBBSA-N 380.502 3.123 50 1 GGGF COC(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323876 NGZURCLOJCVBMS-HHXXYDBFSA-N 378.783 3.429 50 1 GGGF COC(=O)[C@H](C)CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43504108 ZNDFKLONMXLMAH-NMAMLNBJSA-N 384.469 3.020 50 1 GGGF CCOc1cc(C(=CC#N)c2ccc(OC)c(OC(=O)[C@H](C)N)c2)ccc1OC 1857623314 ARCWEVSTONGWAK-AWEZNQCLSA-N 396.443 3.310 50 1 GGGF Cc1onc(-c2nc3cc(C(=O)NN)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075330 GKMKKYSKMDBYIT-UHFFFAOYSA-N 397.822 3.362 50 1 GGGF COc1cc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)cc(OC)c1OC 3233904 BMBLOFIHDPHYHB-GFMRDNFCSA-N 391.427 3.290 50 1 GGGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2COC(C)=O)ccc1O 2356595734 RATHWHQMVNHBER-DYESRHJHSA-N 398.411 3.402 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@@H](C)Br)CC2=O 587453673 RULHEKKNRWOZSU-BMLIUANNSA-N 385.254 3.395 50 1 GGGF CC[C@H](C)C(=O)C1=C(O)[C@](O)(C(=O)/C=C/C(C)(C)OO)[C@@H](CC=C(C)C)C1=O 1642676714 UFVOOGJDPDMPRH-TUUUNUJWSA-N 394.464 3.094 50 1 GGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(O)cc1)[C@@H](C2)C3=O 587412905 KFHORABJWJZXEU-KBXCAEBGSA-N 375.218 3.439 50 1 GGGF COc1cc(/C(O)=C(\C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc(OC)c1OC 209112676 UPKVLHPMAWUVNV-UZYVYHOESA-O 392.435 3.474 50 1 GGGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587495858 GNCPHZQKTXJYQH-FXAWDEMLSA-N 394.851 3.003 50 1 GGGF Cc1cc2oc(=O)cc(CC(=O)N/N=C/c3ccccc3[N+](=O)[O-])c2cc1C 40916365 WVVYJSSAAIGPLD-SRZZPIQSSA-N 379.372 3.011 50 1 GGGF COc1cc(C)ccc1[C@]1(CBr)NCCc2nc3ccccn3c21 962983727 MIIOAJBWNVFQIH-IBGZPJMESA-N 386.293 3.436 50 1 GGGF CCOC(=O)COc1ccccc1P(=O)(c1ccccc1)c1ccccc1 68600122 IYHYJGQKCGKDOH-UHFFFAOYSA-N 380.380 3.268 50 1 GGGF biogenic O=CC(=C(I)I)c1ccccc1 5957217 JLVBAYOFAMFOCP-UHFFFAOYSA-N 383.954 3.424 50 1 GGGF COc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cn1 587009578 LYGRQYGFZRLQQK-HNNXBMFYSA-N 383.839 3.087 50 1 GGGF COc1cc(C)ccc1[C@@]1(CBr)NCCc2nc3ccccn3c21 962983735 MIIOAJBWNVFQIH-LJQANCHMSA-N 386.293 3.436 50 1 GGGF COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1/N=C/CCn1nnc2ccccc21 66251559 IJBCQCJQWGWALM-IRPSRWQTSA-N 383.839 3.007 50 1 GGGF C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2C(=C(C)C(=O)[C@H]2NC(=O)[C@@H](C)CCl)C1 1857551282 ZZVZUPDFFVRSLU-RJEFMMBLSA-N 381.900 3.027 50 1 GGGF OB(O)c1cccc(-c2nc3ccc4n[nH]cc4c3cc2-c2ccccc2)c1F 1857579490 BSDGHENUDOMEHW-UHFFFAOYSA-N 383.191 3.264 50 1 GGGF CC(=O)OC[C@]1(O)C[C@H](C(C)=CC=CC(C)(C)OO)C[C@@H]1[C@@H]1C(=O)C=C[C@@H]1C 2356515382 MXWMKZXEYLQEQX-XQSLOUTOSA-N 392.492 3.469 50 1 GGGF COC(=O)C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325340 DSHOXLWDVOWQEO-IEBWSBKVSA-N 378.783 3.431 50 1 GGGF O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1cc2ccccc2nc1Cl)c1ccncc1 1772614186 JVFWUOYIWHAPPI-CABCVRRESA-N 387.226 3.119 50 1 GGGF C=C1[C@H](O)C[C@@H]2[C@](C)(COC(C)=O)C[C@H](O)C[C@@]2(C)[C@H]1CCC(C)=CC=O 2356578610 XZQJBUKWKSKQAS-RBFKZVKLSA-N 378.509 3.195 50 1 GGGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CCl)(c2cscn2)N1 962645198 VQZWRVIXVZPBIJ-LKFCYVNXSA-N 392.786 3.123 50 1 GGGF COc1cc2c3c(c1)O[C@@](CBr)(c1oc(C)nc1C)[C@@H](C2)C3=O 587410924 ADZRIVANSVKGSX-YVEFUNNKSA-N 378.222 3.338 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1cn(-c4ccc(F)cc4)nn1)[C@@H](C2)C3=O 587426260 BTDOGIOMNGUBPA-YWZLYKJASA-N 399.809 3.297 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)CBr)N1 587674724 ZRSUWZOWLDARDB-FUXBKTLASA-N 379.067 3.302 50 1 GGGF CC(C)CNCCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 222329286 IDDGFISGHBHSPG-MHGNSZAHSA-N 383.529 3.457 50 1 GGGF CCOC(=O)[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1 299844617 KXUGGERICLECLQ-QNDYCBLQSA-O 396.854 3.035 50 1 GGGF Cc1cccc(C)c1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 473151861 RUSCIFPEOCWVAE-UHFFFAOYSA-N 382.869 3.431 50 1 GGGF Cc1ccccc1-c1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(C)n1 653891193 XOEUCDMIKPYXJU-DAFNUICNSA-N 384.439 3.476 50 1 GGGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962926528 PNTPLXPQIAUISL-NRFANRHFSA-N 387.911 3.164 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O 587416989 HPXHHLDZBTZAIE-KSFYIVLOSA-N 397.858 3.486 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)([C@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587416976 HHQOKNJIXMEEMZ-AGKSTNPPSA-N 393.867 3.430 50 1 GGGF CC[C@]1(CNC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325950 IKTPHSJXVZTTCJ-AZUAARDMSA-N 391.826 3.394 50 1 GGGF CCCCC[C@@H](CC(=O)C[C@H]1C2=COC(C)=CC2=C(C=O)C(=O)[C@]1(C)O)OC 1857652297 NCXMMWQTNDFTKB-XUEUYAKLSA-N 390.476 3.194 50 1 GGGF O=C1C=Cc2ccccc2/C1=C/NNC(=O)C(O)(c1ccccc1)c1ccccc1 136196591 XAIQMHYNSRRQAB-XLNRJJMWSA-N 396.446 3.180 50 1 GGGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCC(=O)NN 587863917 FGKJHQINUNQLHB-UHFFFAOYSA-N 398.385 3.158 50 1 GGGF COc1ccc2[nH]c(C)c(CC(=O)NCCSSCCN(C)C)c2c1 618009102 SFEAQOLMVAHLTC-UHFFFAOYSA-N 381.567 3.087 50 1 GGGF COC(=O)C1=C(C#N)N=C(C)/C(=C(/O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 100029096 PACPWXNEPUQIBI-DAMBIUFKSA-N 385.376 3.298 50 1 GGGF C[C@]1(C(=O)CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539257 VBCRSCSDQPUIOR-RHSMWYFYSA-N 377.190 3.077 50 1 GGGF C=C1[C@H](O)C[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\C=O 38988047 XZQJBUKWKSKQAS-QWCRRRAASA-N 378.509 3.195 50 1 GGGF O=C(NC1CSSC1)[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621477776 LKIWYTIXZCMEGQ-NSHDSACASA-N 393.509 3.039 50 1 GGGF O=C(N/N=C\c1cc(Br)c(Br)s1)c1ccncc1 13136023 FGVWQPVNYBYARX-UUASQNMZSA-N 389.072 3.432 50 1 GGGF NNC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 587090541 XYMGRTWTCXGGQQ-UHFFFAOYSA-N 394.197 3.091 50 1 GGGF CC(C)(C)[Si](OCCCc1ccc(=O)[nH]n1)(c1ccccc1)c1ccccc1 195480242 ICTFGMNFHBZERY-UHFFFAOYSA-N 392.575 3.279 50 1 GGGF CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=CC1=C(C=O)C(=O)OC 2356780725 GECMIUBZTNLYLS-ZDUSSCGKSA-N 380.444 3.084 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)CBr)N1 587673774 PVXQBVGZMRMBRL-FUXBKTLASA-N 379.067 3.302 50 1 GGGF COc1cc2c(cc1OC)[C@](C)([C@H](NC(=O)CCl)C(C)C)N(C)[C@@H](C)C2 962632457 RRUAGWZQFQOPGX-CJMONDIMSA-N 382.932 3.175 50 1 GGGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnc(O)[nH]2)[C@H]1c1ccc(F)cc1 587327279 OQJZYJWAKURLOU-LPHOPBHVSA-N 388.782 3.453 50 1 GGGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 586973339 HZKRAYDAJMFZLC-JTQLQIEISA-N 394.294 3.257 50 1 GGGF C[C@]1(c2ccc(N=C=O)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642908 RMXLRSLYGVAHRM-FUHWJXTLSA-N 392.333 3.415 50 1 GGGF CC(C)c1nn(C)c2c1[C@](CBr)(c1ccc(N(C)C)cc1)NCC2 962919556 LBJPUABVMNUAJQ-IBGZPJMESA-N 391.357 3.394 50 1 GGGF COc1ccccc1/C=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1 8681146 RJEYCXHLEGVJBC-KOEQRZSOSA-N 398.466 3.438 50 3 GGGF O=C1OC(=O)c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc21 586907951 PCWSVDNJCWIDMV-UHFFFAOYSA-N 388.133 3.211 50 1 GGGF CN(C)CCCC(=O)Nc1nccc(/C(C#N)=C2\NC(C(C)(C)C)=CS2)n1 64454518 AZFZMVOYQDEVLU-GHRIWEEISA-N 386.525 3.173 50 1 GGGF Cc1cc2c(cc1O)[C@@](CBr)(c1ccccc1F)N[C@H](C(=O)O)C2 963507602 IREKFWUVELCXKT-MAUKXSAKSA-N 394.240 3.077 50 1 GGGF COc1ccc2c(c1)Cc1c-2n[nH]c1C(=O)N/N=C/c1c(F)cc(F)cc1F 1857597203 PTXVZDVVLOIDIE-LIMNOBDPSA-N 386.333 3.171 50 1 GGGF COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3COOC(C)(C)C)[C@H]1O5 43800049 FTHZWFCSBZULIC-HNKPZJSLSA-N 399.487 3.499 50 1 GGGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2cccc(F)c12)c1ccccc1 96271122 OOULDHJRFPKRDZ-GXDHUFHOSA-N 377.375 3.435 50 1 GGGF CC[C@@]1(CNC(=O)CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587687022 YMQPZPDXXDRFBL-VFZGTOFNSA-N 377.685 3.083 50 1 GGGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@]1([C@@H]1C(=O)Nc2ccccc21)CC3 1857646287 KVOWLZQJANGHNM-YADARESESA-N 394.434 3.304 50 1 GGGF CCOCCOC(=O)/C(C#N)=C(\NCc1coc(-c2ccccc2)n1)C(C)C 103200512 RVGKBKGXHWDWSQ-HNENSFHCSA-N 383.448 3.445 50 1 GGGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 43524303 QQTFYANRDKCCPR-VMXMFDLUSA-N 388.485 3.237 50 1 GGGF Cn1nncc1[C@]1(CCl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963198534 WDDPFAVKSBDLRH-FPOVZHCZSA-N 377.879 3.420 50 1 GGGF Cc1nn(CCCCl)c(C)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963238392 YSADAMTZYBJGRT-QUCCMNQESA-N 398.894 3.365 50 1 GGGF O=C(NO)c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 95808572 RVHDIXYCYNWENW-HYARGMPZSA-N 375.384 3.362 50 1 GGGF COC(=O)C1=CN(c2ccc(OC)cc2)C(N)=C(C#N)[C@@H]1c1ccccc1F 95571049 PTUJVSBMBRCHRD-IBGZPJMESA-N 379.391 3.189 50 3 GGGF COc1cccc(CNC(=O)C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)c1 147510012 XJGIOMNHNHCHNW-WLRTZDKTSA-N 398.484 3.100 50 1 GGGF C[N+](CCBr)(CCBr)Cc1ccccc1[N+](=O)[O-] 1638625 NZMJOGVAGYMBJQ-UHFFFAOYSA-N 381.088 3.331 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1 473151873 RYHYFLTVVSNBQH-UHFFFAOYSA-N 389.260 3.468 50 1 GGGF Cc1cc2c(cc1F)[C@@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)NCC2 962089702 HPYYTBIRTXAUMG-ZBFHGGJFSA-N 378.797 3.267 50 1 GGGF CCCCCCCC(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C(C=O)=C3C=C(C)OC=C3[C@H]12 1857774442 KDPLCNXECVOJAY-WOIUINJBSA-N 386.444 3.360 50 1 GGGF COc1cc(O)cc([C@@H]2OC[C@@H](Cc3ccc(O)c(OC)c3)[C@]2(O)CCl)c1 2356454643 RSQWBTHNAPSICH-VOBQZIQPSA-N 394.851 3.015 50 1 GGGF C[C@H](C=C1C(=O)N(C)[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 2356474904 HPESIQPIRSOIDD-NQMVMOMDSA-N 390.138 3.439 50 1 GGGF N#CC(=C(/N)Sc1ccc(N)cc1)/C(C#N)=C(\N)Sc1ccc(N)cc1 34802605 FVSXQIPZCPEDAB-YTEMWHBBSA-N 380.502 3.123 50 1 GGGF CN1C(=O)[C@]2(C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)c2ccccc21 53295186 WJWUDCREHKMQTH-HSZRJFAPSA-N 393.406 3.041 50 1 GGGF O=C1c2ccc(O)cc2O[C@](CBr)(C(=O)O)[C@H]1c1ccc(F)cc1 587319865 DFHYAVXETSLKKN-YOEHRIQHSA-N 395.180 3.109 50 1 GGGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cnccn1)CC2=O 587456485 PHDRDERZEYSWJP-QGZVFWFLSA-N 377.238 3.390 50 1 GGGF CC(C)NCCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 71335371 DRAFTGZIHKMRIZ-VBNFAEQJSA-N 397.512 3.126 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3nc[nH]n3)c1C)O2 587371910 HVPFOEUIZHXSHI-IBGZPJMESA-N 385.855 3.202 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CNC(=O)[C@@H](C)Cl)N1 587687447 GTVJFMDTUIIJDA-XWRVAKJBSA-N 377.685 3.081 50 1 GGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C\c2ccc(O)c(F)c2)ccc1C(=O)O 1857604833 WCVVJWJTGJYXTP-KSEXSDGBSA-N 395.390 3.401 50 1 GGGF CC[C@]1(CNC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325953 IKTPHSJXVZTTCJ-UYAOXDASSA-N 391.826 3.394 50 1 GGGF CC(C)(C(=O)NCc1ccc(F)cc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147629198 BFQFGZUIYZWGQU-QLKAYGNNSA-N 386.448 3.231 50 1 GGGF CC1(C)CN1P(=O)(NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC1(C)C 43705970 PTSHRNFVXFCUOE-UHFFFAOYSA-N 382.357 3.118 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4nc[nH]n4)c1C)[C@@H](C2)C3=O 587419727 YQVLLNTXLGZBAW-MGPUTAFESA-N 398.850 3.103 50 1 GGGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2COC(C)=O)ccc1O 39141947 RATHWHQMVNHBER-FLWKIERCSA-N 398.411 3.402 50 1 GGGF C=C(CCCC(C)=O)[C@H]1C(=O)OCC(=CC=CC(C)(C)OO)[C@@H]1CC(=O)OC 2356406690 DFLACMQIXGYYKQ-PKOBYXMFSA-N 394.464 3.405 50 1 GGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@@H](O)[C@@H]12 2356704386 RJMZKVMAXFDSJD-KVMFQRFPSA-N 396.483 3.369 50 1 GGGF Cc1nc2c(CCCCl)c(Cn3ccnc3-c3ncccc3F)ncn2n1 138233787 YXAVKYHITDRXEO-UHFFFAOYSA-N 385.834 3.050 50 1 GGGF C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(Cl)c(Cl)c21)c1ccc(O)cc1 72182475 NHAGGEOHJLOAFY-QMMMGPOBSA-N 378.215 3.275 50 1 GGGF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(C#N)=COc2ccc(Br)cc21 962916730 DSCJYIVDFVALQN-LJQANCHMSA-N 399.292 3.495 50 1 GGGF CC(=O)O[C@]1(O)CC[C@H](C(C)=CC=CC(C)(C)OO)[C@@H]1[C@H]1C(=O)C=C[C@H]1C 2356545430 SMHGBAYGYMMHKI-PZBVGEIHSA-N 378.465 3.426 50 1 GGGF C[C@]12CC(=O)[C@]34C(=O)O[C@H](c5ccoc5)[C@H]3[C@@]4(C)[C@@H]1CC[C@@H](Cl)[C@]2(C)O 2356598146 GKJCLJMYPDMELI-VCCDNJINSA-N 378.852 3.248 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cl)C(=O)N(C)C)N1 587689869 XKSIOMMWDUYRSJ-ZBVHDKTDSA-N 377.685 3.033 50 1 GGGF CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414163 KWVDVUGRSHADSF-XIKOKIGWSA-N 397.265 3.166 50 1 GGGF Cc1nc(C)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962969456 FIPXOEVIUQCLGW-ZBEGNZNMSA-N 391.201 3.304 50 1 GGGF N#CC1=C2CCC3(C[C@@H]2[C@@H](c2c(F)cccc2F)C(C#N)(C#N)C1=N)OCCO3 169690953 JMCNAXYQTWIFRJ-UGSOOPFHSA-N 394.381 3.479 50 1 GGGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@@H]1C(=O)Nc2ccccc21)CC3 1857758430 QQMRCJOBMPZEOB-RDPSFJRHSA-N 394.434 3.304 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3[C@]4(C)CCC[C@@H]1[C@@]23OO4 1772592980 RGEIMLPVQGAOIE-ABNMFCIUSA-N 382.453 3.061 50 1 GGGF CO[P@@](=O)(c1cc(C)cc(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425699 JJIUDIOMHICFAJ-VWLOTQADSA-N 376.780 3.412 50 1 GGGF COC(=O)C1=C(C#N)N=C(C)/C(=C(\O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 618011671 PACPWXNEPUQIBI-JQSQVVPISA-N 385.376 3.298 50 1 GGGF CCOC(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543880 MGVRPWIUNLZYHY-LJHODMEESA-N 376.792 3.283 50 1 GGGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccnc3)cc2)nc2ccccc21 1772640449 BPXHAJNTGDLWNI-PCLIKHOPSA-N 379.423 3.495 50 1 GGGF N#CC(=C(/N)Sc1ccc(O)cc1)/C(C#N)=C(\N)Sc1ccc(O)cc1 34802598 LEQOKYNOTXUZHB-YTEMWHBBSA-N 382.470 3.370 50 1 GGGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(OC(=O)[C@H](C)N)c2)ccc1OC 84541523 ARCWEVSTONGWAK-XGHPXPSOSA-N 396.443 3.310 50 1 GGGF NC(=O)N/N=C/c1ccc(Oc2ccc(I)cc2)cc1 27312621 BINXDPOTJMIGSI-RQZCQDPDSA-N 381.173 3.086 50 1 GGGF CC(C)(N)CNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621476348 DKFRIPPHGZGDAU-IIWXGAAQSA-N 394.512 3.220 50 1 GGGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)o1 587370543 ABAGSQZOINZHFE-NSPYISDASA-N 376.840 3.294 50 1 GGGF COc1cc(NC(=O)c2cc(NC(=O)[C@@H](C)Br)ccc2F)ccn1 28954599 JSQDZQMZQMFFIW-SECBINFHSA-N 396.216 3.204 50 1 GGGF OB(O)c1ccccc1OCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 653900922 GFTXBUPBAYXBEF-UHFFFAOYSA-N 389.138 3.152 50 1 GGGF CN(C)/C=C(/C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543819 LRCKSTCDCMRTPW-ONFOPSJQSA-N 384.819 3.300 50 1 GGGF Cc1cc(C)n2c(SCC(O)=C(C#N)c3nc4ccccc4[nH]3)nnc2n1 1857622192 YRHGHFDICQQORM-UHFFFAOYSA-N 377.433 3.202 50 1 GGGF CN1C(=O)C[C@@H]2CN[C@](CCCCCl)(CC3OCCO3)c3cccc1c32 963016063 CFDHNQVYCDOPIO-JLTOFOAXSA-N 378.900 3.107 50 1 GGGF CC(NNC(=O)COc1ccc(Cl)cc1C)=C1C(=O)c2ccccc2C1=O 198601230 CCZXIZUWMBDKPZ-UHFFFAOYSA-N 384.819 3.001 50 1 GGGF NNC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587076614 KWTGACXWSDIBCM-UHFFFAOYSA-N 379.807 3.254 50 1 GGGF [3H]/C(CCCC(=O)O)=C(\[3H])C[C@@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 169307608 RJNDVCNWVBWHLY-OMCWJNIPSA-N 391.496 3.308 50 1 GGGF CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)OC)c1OCC 95808916 FMGQNQLHWIQLCT-RCCKNPSSSA-N 378.469 3.448 50 1 GGGF COC(=O)Nc1nc2ccc(OCC(=O)N/N=C(\C)c3ccccc3)cc2s1 653780791 SVKMMVOGOWHRPK-WSDLNYQXSA-N 398.444 3.394 50 1 GGGF COC(C)(C)[C@H](Br)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586970825 HNTULRVMKTVFLH-OAHLLOKOSA-N 382.302 3.256 50 1 GGGF O=C1OC(=O)[C@@H]([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c2ncccc21 961748190 JAUWXLABBVWJSB-ZBFHGGJFSA-N 399.244 3.044 50 1 GGGF N=c1nc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc[nH]1 587497312 BXVNSSBEOUTMCH-SFHVURJKSA-N 388.265 3.024 50 1 GGGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587406982 GMYFMGGNASLSFR-LJQANCHMSA-N 393.892 3.302 50 1 GGGF Cc1c(O)ccc2c1[C@](CCl)(c1nc3ccccc3s1)N[C@H](C(=O)O)C2 963524329 LAIIYMCLSUVYGF-ORAYPTAESA-N 388.876 3.392 50 1 GGGF O=C(CBr)NCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586970713 DWSZDSYBQSSOIC-UHFFFAOYSA-N 388.265 3.196 50 1 GGGF O=C1c2ccc(O)cc2O[C@@]2(COC(CCl)=CC2=O)[C@H]1c1ccc(F)cc1 587325200 CSINPCOGCHITDQ-AZUAARDMSA-N 388.778 3.351 50 1 GGGF O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1cc2ccccc2nc1Cl)c1ccncc1 1772614187 JVFWUOYIWHAPPI-GJZGRUSLSA-N 387.226 3.119 50 1 GGGF COC(=O)[C@@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 98085369 WAJOBFCGOZCGKK-VFPQMLJCSA-N 399.397 3.349 50 1 GGGF CCOC(=O)[C@H](C(=O)N/N=C/c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1 299844616 KXUGGERICLECLQ-QMFLXTPQSA-O 396.854 3.035 50 1 GGGF C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)C(F)(F)F)cc1 13482255 MMXTUNDWFSQOHA-AUEPDCJTSA-N 393.321 3.070 50 1 GGGF CC1(C)C[N@@]1[P@](=O)(NC(=O)OCc1ccc([N+](=O)[O-])cc1)[N@@]1CC1(C)C 1857535887 PTSHRNFVXFCUOE-XTIHSXFESA-N 382.357 3.118 50 1 GGGF COc1ccc(C(=O)N/N=C2/C(=O)N(CC=C(C)C)c3ccccc32)cc1OC 1857656578 ZGIXTFSDVIFOHR-BSYVCWPDSA-N 393.443 3.151 50 1 GGGF C=C1[C@H](C)C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@@H](O)[C@H]12 2356725932 OKDTYBVVAITUOQ-HUGZRJEESA-N 394.467 3.145 50 1 GGGF CCOC(=O)c1ccccc1[C@@]1(CBr)NCCc2c(C)ccnc21 963064431 AAMTWXOEFBCYQX-LJQANCHMSA-N 389.293 3.351 50 1 GGGF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(CCl)ccc2oc1=O 26576704 OMZQBJVVNZMDEV-KRWDZBQOSA-N 399.830 3.046 50 1 GGGF C=C1[C@H](O)C[C@H]2[C@](C)(C[C@@H](O)C[C@@]2(C)COC(C)=O)[C@H]1CCC(C)=CC=O 2356578609 XZQJBUKWKSKQAS-QANWUKQVSA-N 378.509 3.195 50 1 GGGF O=C(NO)c1cccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1 95808794 LREGJZPLDFGWHI-HYARGMPZSA-N 375.384 3.362 50 1 GGGF COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1OC 26155854 YCJMSPMWIBVCKH-KRWDZBQOSA-N 389.879 3.172 50 1 GGGF CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C(\C)Cc1ccccc1 6999261 DOWQHYWYUITKSN-KMYAOZERSA-N 383.517 3.273 50 3 GGGF C[C@@]1(C(=O)CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539261 VBCRSCSDQPUIOR-YOEHRIQHSA-N 377.190 3.077 50 1 GGGF O=C(O)CCC/C=C\C[C@@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2C[C@H]1CO2 101492211 FWVHUCQOTDZRJR-QATMIOICSA-N 387.480 3.165 50 1 GGGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 101044401 QQTFYANRDKCCPR-PMXSJFBMSA-N 388.485 3.237 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OC)c(Br)c1 95808704 ZPNJYTFOXWHSIL-XDHOZWIPSA-N 399.285 3.421 50 1 GGGF CCOc1cccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 473149123 HOECGKOAINZHSC-UHFFFAOYSA-N 398.868 3.213 50 1 GGGF COc1cc2c(cc1OC)[C@](C)([C@@H](NC(=O)CCl)C(C)C)N(C)[C@H](C)C2 962632455 RRUAGWZQFQOPGX-CAYVGHNUSA-N 382.932 3.175 50 1 GGGF C[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1 72179582 XOQOXRAMMDRTBP-QMMMGPOBSA-N 378.215 3.275 50 1 GGGF COC(=O)[C@@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 98085371 WAJOBFCGOZCGKK-VLTJFJKUSA-N 399.397 3.349 50 1 GGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@]2(C)CCCC(C)(C)[C@H]12 2356542408 ZWNZDIPJNHSCRQ-MBWHEUGSSA-N 386.488 3.488 50 1 GGGF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(C#N)=COc2ccc(Br)cc21 962916729 DSCJYIVDFVALQN-IBGZPJMESA-N 399.292 3.495 50 1 GGGF COC(=O)C1=CN(c2ccc(OC)cc2)C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 95604612 XVUKXNHXPUVNFN-HXUWFJFHSA-N 391.427 3.058 50 3 GGGF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653899393 QYEAUKNOBXJJRH-QQTULTPQSA-N 388.402 3.307 50 1 GGGF COC(=O)Cc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587411124 RHRYGWCSLDTCQH-GOSISDBHSA-N 379.865 3.454 50 1 GGGF C=CC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195505934 AJZMFWIZHTZCOB-XHSDSOJGSA-N 380.561 3.347 50 1 GGGF COc1cc2c3c(c1)O[C@](CSC#N)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587449399 OTGRSVHNZNCSSP-HNAYVOBHSA-N 382.397 3.461 50 1 GGGF CCCc1c(O)ccc2c1O[C@@]1(CC=Cn3c1nc(CCl)cc3=O)CC2=O 587460510 NIYLUJUBGYFHQN-FQEVSTJZSA-N 386.835 3.375 50 1 GGGF CCOc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 473165319 BBDPQLNODWCRTB-UHFFFAOYSA-N 398.868 3.213 50 1 GGGF Cc1nn(CCCCl)c(C)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963238394 YSADAMTZYBJGRT-UYAOXDASSA-N 398.894 3.365 50 1 GGGF C=CC(=C)[C@H](C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](OC(C)=O)[C@@]1(C)O)OO 2356722229 ALXHJBYLXLQHLX-CSLSONBHSA-N 396.524 3.483 50 1 GGGF COC(=O)[C@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 98085370 WAJOBFCGOZCGKK-WWFHAAFISA-N 399.397 3.349 50 1 GGGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCC2)c1 1857561469 MRAXYXCENGABEQ-HKOYGPOVSA-N 377.444 3.145 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cl)C(=O)N(C)C)N1 587687899 IZPZQXJQMMPAPJ-ZBVHDKTDSA-N 377.685 3.033 50 1 GGGF Cc1nnsc1C(=O)NN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C 103214604 TZNSTKDZAYAXRV-UHFFFAOYSA-N 386.399 3.451 50 1 GGGF [C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(/C(C)=N/OC)cc2)n1 261187881 YAHABKHTZTUPLD-WECDIVOHSA-N 380.452 3.499 50 1 GGGF NNC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F 957619744 ADMNOFNUUNZTKD-UHFFFAOYSA-N 387.774 3.272 50 1 GGGF COc1cc(/C=N/N(C(=O)c2ccccc2)C(=O)c2ccncc2)ccc1O 103170653 JMXVNXWEEQQTFB-OEAKJJBVSA-N 375.384 3.113 50 1 GGGF C[C@@H](Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587507116 APEUXHYUTXCPGD-QKFKETGDSA-N 394.471 3.203 50 1 GGGF CC[C@@H](C)C(=O)C1=C(O)[C@@](O)(C(=O)/C=C/C(C)(C)OO)[C@@H](CC=C(C)C)C1=O 1642676713 UFVOOGJDPDMPRH-SHPYAKTCSA-N 394.464 3.094 50 1 GGGF CC[C@@H](C)C(=O)C1=C(O)[C@](O)(C(=O)/C=C/C(C)(C)OO)[C@H](CC=C(C)C)C1=O 1642676711 UFVOOGJDPDMPRH-PINGRMLMSA-N 394.464 3.094 50 1 GGGF Cn1cccc1[C@@]1(CCl)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643799 WBUWLLUZKZWCBW-BDJLRTHQSA-N 388.773 3.005 50 1 GGGF OC[C@H]1[C@@H]2C[C@H](n3cnc4c(NC5CCCCC5)ncnc43)[C@H]1C[C@@H]2Cl 473120567 OLFYVTMSYFWCGB-QXKUPLGCSA-N 375.904 3.368 50 1 GGGF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(C#N)c2c(F)cccc2F)CC1 222813565 SIKDDFXGAULCSX-UHFFFAOYSA-N 392.431 3.067 50 1 GGGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)NCCc2ccc(F)c(C)c21 962294291 BLUUYHZFLXBRTB-IBGZPJMESA-N 383.536 3.294 50 1 GGGF O=C(CCCl)N[C@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O 199408209 CZMFLQJYJOHRPA-AWEZNQCLSA-N 392.805 3.211 50 3 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)[C@H]2Br)N1 587681259 KFICLQKNICWEAC-FNSHAYQCSA-N 391.078 3.444 50 1 GGGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 17457420 KFVMCJDMAAMQOS-PWVLXBNSSA-N 375.475 3.232 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1cn(-c4cccc(C)c4)nn1)[C@@H](C2)C3=O 587423772 VXTWGWBYPUQEKQ-KKSFZXQISA-N 395.846 3.466 50 1 GGGF COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1F 1772570008 FGHNFTSXXVGPKX-KRWDZBQOSA-N 376.391 3.453 50 1 GGGF CCCN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 31880921 ADUIJCCNUGTGDH-UHFFFAOYSA-N 375.896 3.417 50 1 GGGF COC(=O)[C@@H](C)CO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169339154 ZNDFKLONMXLMAH-FXPBCPQFSA-N 384.469 3.020 50 1 GGGF C[C@@H](C[C@H]1C(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 136658900 VRQZGAPBWYEDHZ-XKNYDFJKSA-N 392.154 3.314 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(=O)N(C)C)cs1)[C@@H](C2)C3=O 587450984 HNAYTZXMFDMZCD-DJJJIMSYSA-N 391.876 3.340 50 1 GGGF C/C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)=C1/C=CC(=O)C=C1O 100527325 AKJWEQQCDNJTDN-SAPNQHFASA-N 398.422 3.386 50 3 GGGF CC(=O)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673778 PWXHCUYEBUPQHW-FUXBKTLASA-N 379.067 3.302 50 1 GGGF CC(=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C(C)=O 2356598244 JXGFVSHPMUSPBI-UHFFFAOYSA-N 382.710 3.038 50 1 GGGF CC(C)(C)[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)NSN1)c1ccccc1 2356705150 YAXRWTODTKUKRX-KRWDZBQOSA-N 379.489 3.276 50 1 GGGF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@@H](C)Br)CC2=O 587453678 RULHEKKNRWOZSU-QGHHPUGFSA-N 385.254 3.395 50 1 GGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCC[C@@H]2Br)N1 963228673 IHMUPPHVSNUJMF-BQFCYCMXSA-N 375.266 3.367 50 1 GGGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(O)ccc2[nH]1 95560266 WYRSATGRZQLAPL-AWQFTUOYSA-N 388.221 3.496 50 1 GGGF CCCc1c(O)ccc2c1O[C@]1(CC=Cn3c1nc(CCl)cc3=O)CC2=O 587460517 NIYLUJUBGYFHQN-HXUWFJFHSA-N 386.835 3.375 50 1 GGGF COC(=O)C(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986308 QSEQQAKLOQMUFC-KRWDZBQOSA-N 381.771 3.174 50 1 GGGF NC(=O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587546023 USVADEWKHICQPS-JXFKEZNVSA-N 399.786 3.180 50 1 GGGF CCOC(=O)C(C)(C)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587372163 HTYOIRHFKDHVGL-QGZVFWFLSA-N 384.270 3.265 50 1 GGGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1cccc(N)c1 963637535 SOOFZRQVVAOELM-HXPMCKFVSA-N 391.309 3.459 50 1 GGGF CCOc1cccc2c1C(=O)c1c(OCC)cc(NC(=O)CCl)cc1C2=O 206540137 XJEWVCSTXGINMO-UHFFFAOYSA-N 387.819 3.437 50 1 GGGF C=C(C)[C@H](O)CC[C@@]1(C)[C@H]2CC=C(C(=O)OC)[C@@H](C=O)[C@@]2(C)[C@@H](O)C[C@H]1Cl 2356454570 PMPHZBAWDOYBGN-GFYMANACSA-N 398.927 3.023 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103198839 LMWXYRNXGABKJN-UELSLYQXSA-N 389.448 3.366 50 1 GGGF COC(C)(C)[C@@H](Br)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586970808 HDTANWJBALXPHV-HNNXBMFYSA-N 381.318 3.176 50 1 GGGF Cc1cc2c(c(O)c1O)[C@@]1(O)OC(=O)[C@@](C)(CC2)[C@H](C(C)C)[C@@H]1Br 2356802981 WPNLKYNJHXWRKN-VYMNMKSMSA-N 399.281 3.096 50 1 GGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1cccc(N)c1 963637526 SOOFZRQVVAOELM-BLVKFPJESA-N 391.309 3.459 50 1 GGGF CCOC(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543879 MGVRPWIUNLZYHY-FNHZYXHNSA-N 376.792 3.283 50 1 GGGF C=C(CCCC(C)=O)[C@@H]1C(=O)OCC(=CC=CC(C)(C)OO)[C@@H]1CC(=O)OC 2356406687 DFLACMQIXGYYKQ-HKUYNNGSSA-N 394.464 3.405 50 1 GGGF O=[P@](O)(OCC1CCCC1)N(CCBr)CCBr 27652473 MLKCJLKWYUHEIE-UHFFFAOYSA-N 393.056 3.385 50 1 GGGF COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 95809386 UNOVVOUWBGYTDB-PXLXIMEGSA-N 383.448 3.440 50 1 GGGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(C)cc1 100086772 IRPXPAOMSNPQAY-ONZPZFSWSA-N 383.473 3.479 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c(C(=O)N3CCCC3)c1)O2 587374225 VFUZXUCOSIMFAL-HXUWFJFHSA-N 387.867 3.241 50 1 GGGF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(=O)NN)cc1 587862765 IDHZTRNYQXRTFA-UHFFFAOYSA-N 376.338 3.170 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)ccc1Br 95809814 SOJBLMQWDBWJSS-XDHOZWIPSA-N 399.285 3.421 50 1 GGGF CC1=C(C#N)[C@H](c2ccc(F)c(Br)c2)C2=C(CCS2(=O)=O)N1 40475120 MXZUOJQWGVKCJY-AWEZNQCLSA-N 383.242 3.103 50 1 GGGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4[nH]c(C)nc4cc32)cc(OC)c1OC 1857649235 PWTHOTNRFMDBCM-LJQANCHMSA-N 392.415 3.115 50 1 GGGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)s1 28351494 RFSLBLNWMIHRDO-UHFFFAOYSA-N 385.681 3.413 50 1 GGGF COc1ccc2c(CCO[P@@](N)(=O)N(CCCl)CCCl)noc2c1 27621186 BOFVGRLHVDRPTI-XMMPIXPASA-N 396.211 3.242 50 1 GGGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 43524306 QQTFYANRDKCCPR-WJMWBRGCSA-N 388.485 3.237 50 1 GGGF CC(=O)OC[C@]1(O)C[C@H](C(C)=CC=CC(C)(C)OO)C[C@@H]1[C@H]1C(=O)C=C[C@H]1C 2356515381 MXWMKZXEYLQEQX-WOGGDJBASA-N 392.492 3.469 50 1 GGGF Cc1cc2c(cc1O)[C@](C)(c1csc(C(=O)CCl)c1)N[C@H](C(=O)O)C2 963494186 YDQVOTAWCDVPFT-UGSOOPFHSA-N 379.865 3.046 50 1 GGGF CC(C)=CC(=O)OC1CCC(C=C(C#N)C(C#N)=CC2=C[C@@H](O)[C@@H](O)CC2)CC1 2356841462 NIYKAVYJADRYQA-YAZWQMFNSA-N 396.487 3.397 50 1 GGGF Oc1nc(O)c2ccc([C@@H](Br)Cc3c(F)cccc3F)nc2n1 587367930 AVIKPKLRPSNMPB-VIFPVBQESA-N 382.164 3.393 50 1 GGGF COC(=O)C(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986311 QSEQQAKLOQMUFC-QGZVFWFLSA-N 381.771 3.174 50 1 GGGF CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2cccc(OC)c2)c1O 33984353 WZZYKYGLTRDTLP-VGOFMYFVSA-N 384.457 3.484 50 1 GGGF O=C(NNCc1ccc(O)cc1)c1ccc(N(CCCl)CCCl)cc1 103234646 RZYUIZPARGBLEE-UHFFFAOYSA-N 382.291 3.111 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cs1 95808698 XDKKTTSSWBXQAD-CXUHLZMHSA-N 375.288 3.474 50 1 GGGF CC[C@]1(CNC(=O)CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686408 UXXPEMIGJQJKHZ-RFAUZJTJSA-N 377.685 3.083 50 1 GGGF O=CC1=COc2cc(F)ccc2[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962704848 DJWPZSCHOZPHHK-APWZRJJASA-N 391.320 3.190 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)C=O)N1 587669882 GOJSIEIIJCFUNP-HYJLZEBJSA-N 379.067 3.300 50 1 GGGF N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 933857 CYDMLZFDOVYJPB-SFHVURJKSA-N 392.802 3.417 50 1 GGGF COc1nc(OC)c(Br)c(C(Br)Br)n1 28655614 GTDOAVHHZXKUDK-UHFFFAOYSA-N 390.857 3.045 50 1 GGGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)NCCc3c(C(=O)O)cccc32)s1 963125005 ROUASLWVGYHABE-JEOXALJRSA-N 392.908 3.099 50 1 GGGF COc1ccc(OC)c([C@@H]2[C@H](OC)C(=O)N2C/C(C#N)=C/c2ccccc2)c1 1772585151 CGMAZFJGBHOURM-ODOLEDHDSA-N 378.428 3.209 50 1 GGGF COc1cccc([C@@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)c1 103175393 LRZLCCSZASARJS-GDBMZVCRSA-N 390.226 3.196 50 1 GGGF COc1ccc(/C(=N\NC(C)=O)c2ccc3c(ccn3C)c2)c(OC)c1OC 45298899 OBGCECWRWNVDJY-NMWGTECJSA-N 381.432 3.093 50 1 GGGF O=C(CBr)NCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586971258 PGRNOCGKKUBKEJ-UHFFFAOYSA-N 384.583 3.289 50 1 GGGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCN2CCOCC2)n1 13647727 GPHQDNLVDUOSJI-XDJHFCHBSA-N 394.504 3.021 50 1 GGGF COc1cccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962916951 XWPDHMQCOVEUDI-FUHWJXTLSA-N 394.240 3.072 50 1 GGGF CC(=O)Nc1ccc(Cl)c(NC(=O)NCCSSCCN(C)C)c1 169324346 JVLHAJAVUYDYBF-UHFFFAOYSA-N 390.962 3.363 50 1 GGGF CC(C)=CC(=O)OC1CCC(C=C(C#N)C(C#N)=CC2=C[C@H](O)[C@@H](O)CC2)CC1 2356841460 NIYKAVYJADRYQA-AUSJZFAISA-N 396.487 3.397 50 1 GGGF CC(=O)OC[C@@H]1C[C@H](O)[C@@]2(C)C(C=O)=CCC[C@@H]2[C@@]1(C)CC[C@H](C)CCO 238740861 OVCJZEVZGJBBFY-VLUICMSQSA-N 380.525 3.277 50 1 GGGF N[C@H](CCl)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587010136 GWWAHCSHXXXXIG-LLVKDONJSA-N 385.276 3.256 50 1 GGGF O=C(N/N=C/c1ccc(O)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 1857611294 JRTJLEGCDNXXDX-UFFVCSGVSA-N 391.408 3.386 50 1 GGGF C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCCl)cc(OC)c1OC 40980362 UTOAHEDSLBPTJU-INIZCTEOSA-N 380.916 3.255 50 1 GGGF C=C(c1ccc(C)cc1)[C@@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43523686 CSZLEGOIWJRLRP-WBTXTPOCSA-N 390.432 3.402 50 1 GGGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2cccs2)c1 1857555404 RVOGHDDWFPQPEZ-UHFFFAOYSA-N 376.434 3.178 50 1 GGGF C/C(=C\C[C@@]12OC[C@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O)CCl 1857605414 LCCGXVMBACLSSH-NWRGGKTRSA-N 386.831 3.196 50 1 GGGF C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 4894457 TXOSDYDCOWQAJD-WDMNMGCXSA-N 377.444 3.254 50 3 GGGF COC(=O)CCCCCCC(=O)N/N=C/C1(NC(=O)OC(C)(C)C)CCCC1 95809812 ANIVVXSFVWROTK-RCCKNPSSSA-N 397.516 3.440 50 1 GGGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2/N=C/CCn2nnc3ccccc32)cc1 66262773 BATFVIUUJZPEIA-SMTKDUBBSA-N 383.839 3.007 50 1 GGGF COC(=O)C1=CC[C@@H]2[C@](C)(CC=CC(C)(C)O)[C@H](Cl)C[C@H](O)[C@@]2(C)[C@@H]1C=O 2356465245 LDXUQWSFYSAZTE-NDJIEACQSA-N 398.927 3.023 50 1 GGGF O=C(/C(Br)=C/Br)C(Br)Br 85637144 QDMHHSIUMQQFCZ-UPHRSURJSA-N 385.675 3.303 50 1 GGGF Cn1nncc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326360 LFJNZQPOQVYCAT-MJGOQNOKSA-N 387.798 3.153 50 1 GGGF CC[C@@H](/C(=N/NC(=O)C[N+](C)(C)C)c1ccccc1)[C@@H]1OC(=O)c2ccccc21 17211332 TUVYXWKSYRJPOW-SMCWDZIFSA-O 394.495 3.151 50 1 GGGF [C-]#[N+][C@@H]1C[C@H](OCC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 261097161 FPLDLPYGGFMVEZ-DJIMGWMZSA-N 398.442 3.068 50 1 GGGF O=C1OC(=O)[C@H]([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c2ncccc21 961748186 JAUWXLABBVWJSB-GOEBONIOSA-N 399.244 3.044 50 1 GGGF COC(C)(C)[C@H](Br)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586970810 HDTANWJBALXPHV-OAHLLOKOSA-N 381.318 3.176 50 1 GGGF COC(=O)C1=C(Cn2ccnc2)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl 62224573 VKOYHMBQGJRYAN-KRWDZBQOSA-N 386.814 3.287 50 1 GGGF COc1ccc(Cl)cc1C#Cc1ccc2cc(OCC(=O)NN)ccc2c1 587908220 WKRZPIBVPGSCII-UHFFFAOYSA-N 380.831 3.270 50 1 GGGF NCCSSCCCNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 618007534 AWZIXKIKHXGISK-UHFFFAOYSA-N 381.479 3.315 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(C(=O)O)c2[nH]1 587009439 FVBRGWYRFKHHOT-INIZCTEOSA-N 396.834 3.381 50 1 GGGF O=C1c2ccc(O)cc2O[C@@]2(COC(CCl)=CC2=O)[C@@H]1c1ccc(F)cc1 587325203 CSINPCOGCHITDQ-UYAOXDASSA-N 388.778 3.351 50 1 GGGF COC(=O)C1=C(Cn2cccn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl 62224577 DSSRNDXICGBGMR-QGZVFWFLSA-N 386.814 3.287 50 1 GGGF CC(=C[C@@H]1C[C@]2(C)OC3=C(C[C@@H]2O1)C(=O)CC[C@@H]3O)CC=CC(C)(C)OO 2356334994 RIJUSTJSMDNKKJ-SIHWBGBFSA-N 378.465 3.462 50 1 GGGF CCOC(=O)C[C@H]1C(C#N)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 95561113 NMFXYCGLBSAGJF-QGZVFWFLSA-N 394.427 3.494 50 1 GGGF CC[C@@H](C)C(=O)C1=C(O)[C@@](O)(C(=O)/C=C/C(C)(C)OO)[C@H](CC=C(C)C)C1=O 1642676709 UFVOOGJDPDMPRH-IWQXSSKLSA-N 394.464 3.094 50 1 GGGF C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N(C)c1ccccc1 4894455 TXOSDYDCOWQAJD-KXGFGANYSA-N 377.444 3.254 50 3 GGGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962905292 PEJNFXJOFZVCAA-UFAGZECESA-N 392.858 3.443 50 1 GGGF CC(C)CN(NC(=O)c1ccnc2ccccc12)c1nc(C#N)ncc1Cl 58568714 GMPVNBVCWKMFOC-UHFFFAOYSA-N 380.839 3.357 50 1 GGGF COC(=O)c1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1-n1c(C)ccc1C 1857587573 HWKNVSNOPFRMAI-UHFFFAOYSA-N 387.436 3.050 50 1 GGGF Cc1ccc(N/N=C2/C=CC(=O)C(/C=N/NC(=O)c3ccc(N)cc3)=C2)cc1C 100456368 AKDGQWQBRMPFBQ-QHJSFUJASA-N 387.443 3.135 50 1 GGGF NNC(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587157747 CASPWUDADJFNNE-UHFFFAOYSA-N 386.390 3.311 50 1 GGGF CS(=O)(=O)N1C[C@H](CCl)c2cc(C=O)c(OCc3ccccc3)cc21 27417260 ODSUFFRXNZGENP-HNNXBMFYSA-N 379.865 3.180 50 1 GGGF O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CCl)cc1 28958360 MKHLRQRXLHSNCA-UHFFFAOYSA-N 378.881 3.462 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(O)c(C=O)c1)O2 587375864 VPDCBWLDVAIQQF-SFHVURJKSA-N 390.233 3.351 50 1 GGGF O=C(N/N=C(COc1ccc(Cl)cc1)\N=C\c1ccncc1)c1ccncc1 6004610 ASXGKTZMPMYHDS-JMFVNPTESA-N 393.834 3.371 50 1 GGGF C[C@@H](/C=C1\C(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 59126645 HPESIQPIRSOIDD-QLRJEXERSA-N 390.138 3.439 50 1 GGGF CC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190026 WIOLNLIISUKFPS-DYEKYZERSA-N 384.181 3.369 50 1 GGGF O=C(CBr)NCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586970951 IULYDYIPDJDEDR-UHFFFAOYSA-N 384.583 3.289 50 1 GGGF CN(N=O)C(=O)NC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 169332840 ZFNYIIKHHDFSCT-FJWRRNOESA-N 387.480 3.302 50 1 GGGF C[C@H](Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587507115 APEUXHYUTXCPGD-PSLXWICFSA-N 394.471 3.203 50 1 GGGF NNC(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587136870 OWRKHHAPSTYIAQ-UHFFFAOYSA-N 383.608 3.388 50 1 GGGF COc1ccc(CCC(=O)N/N=C2\C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 72180379 YHBNAXAFOKKMHH-UHFFFAOYSA-N 392.242 3.407 50 1 GGGF O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2 13125018 SPFSFYAPXKYDAR-DHZHZOJOSA-N 386.205 3.169 50 3 GGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CC(F)(F)F 1857551791 FODNGZLUZKIPSJ-IFRROFPPSA-N 375.734 3.401 50 1 GGGF COc1cc(OC)cc(C(=O)N/N=C2/C(=O)N(CC=C(C)C)c3ccccc32)c1 1857774419 CNHABZKBYHRUNR-BSYVCWPDSA-N 393.443 3.151 50 1 GGGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 299835138 LTQWMPSEOGKKTC-YXJHDRRASA-N 382.291 3.486 50 1 GGGF CCOC(=O)C1([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)CC1 587374583 PERQAXSIVIUIIC-QGZVFWFLSA-N 382.254 3.019 50 1 GGGF CC(=O)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587671809 BEUYOSMMTQMEKU-FUXBKTLASA-N 379.067 3.302 50 1 GGGF COC(=O)[C@H](C)CO[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169371852 ZNDFKLONMXLMAH-GBKDXVIUSA-N 384.469 3.020 50 1 GGGF C/C(NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)=C1/C=CC=CC1=O 104020989 ADPSQAAJWSLISW-PTGBLXJZSA-N 399.494 3.448 50 3 GGGF CC[C@]1(CNC(=O)CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587687017 YMQPZPDXXDRFBL-BJOHPYRUSA-N 377.685 3.083 50 1 GGGF C[C@@]1(c2ccc(N=C=O)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642905 RMXLRSLYGVAHRM-AEFFLSMTSA-N 392.333 3.415 50 1 GGGF O=C(CCCCCCCCCCBr)CC(=O)N[C@H]1CCOC1=O 25986720 HITQIRLWGOWKEQ-HNNXBMFYSA-N 390.318 3.283 50 1 GGGF Cc1c(O)ccc2c1[C@](CSC#N)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 963547953 CMBCVXPPPBZCPB-KXBFYZLASA-N 388.876 3.411 50 1 GGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587495424 DCMDIADYWCBTTB-AZUAARDMSA-N 376.836 3.029 50 1 GGGF COc1ccc(/C=N/OC[C@@H](Cl)CN2CCOCC2)cc1OC1CCCC1 45284299 RMROSRFSKVOODY-KOWBDXASSA-N 396.915 3.307 50 1 GGGF CC[C@H](C)C(=O)C1=C(O)[C@@](O)(C(=O)/C=C/C(C)(C)OO)[C@@H](CC=C(C)C)C1=O 1642676715 UFVOOGJDPDMPRH-XHXVHOSRSA-N 394.464 3.094 50 1 GGGF CC1(C)CN1P(=O)(NC(=O)OCc1ccccc1[N+](=O)[O-])N1CC1(C)C 43705841 LSFSZBLLDIFDHS-UHFFFAOYSA-N 382.357 3.118 50 1 GGGF COc1cc(NC(=O)c2cc(NC(=O)[C@H](C)Br)ccc2F)ccn1 28954602 JSQDZQMZQMFFIW-VIFPVBQESA-N 396.216 3.204 50 1 GGGF CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1 299834540 JRHFOWQWUVMCHX-UHFFFAOYSA-N 394.475 3.438 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)C=O)N1 587671317 QUYZXZWZNONIGA-LIEFSGRHSA-N 379.067 3.300 50 1 GGGF O=C1c2ccc(O)cc2O[C@@](CBr)(C(=O)O)[C@H]1c1ccc(F)cc1 587319863 DFHYAVXETSLKKN-WMLDXEAASA-N 395.180 3.109 50 1 GGGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O 13833846 DAXNLYJBKOOJIV-WUXMJOGZSA-N 381.413 3.227 50 1 GGGF CC[C@]1(CNC(=O)CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686406 UXXPEMIGJQJKHZ-BJOHPYRUSA-N 377.685 3.083 50 1 GGGF N#CC(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1 36242997 SEFXAYXYMFOTKA-CTRKQEPWSA-N 399.393 3.433 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)[C@@H]2Br)N1 587684944 RNIWCUTUPMSABU-IYCUSSIYSA-N 391.078 3.444 50 1 GGGF CCOC(=O)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544995 PXKROHOFAAZKQV-LPHOPBHVSA-N 376.792 3.285 50 1 GGGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CC=CC1 58580907 BKCANKKSVMNGEP-UHFFFAOYSA-N 380.246 3.075 50 1 GGGF CC(/C=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)=C\c1ccccc1 5823384 NQKSPFNWHLYJGC-GYGISDOKSA-N 379.376 3.252 50 3 GGGF CCN(CC)c1ccc([C@]2(C(F)(F)F)Nc3ccnn3C(N)=C2C#N)cc1 621477592 DGESSRNYYWJQSE-KRWDZBQOSA-N 376.386 3.263 50 1 GGGF O=C1c2ccc(O)cc2O[C@]2(COC(CCl)=CC2=O)[C@H]1c1ccc(F)cc1 587325201 CSINPCOGCHITDQ-ICSRJNTNSA-N 388.778 3.351 50 1 GGGF C[C@H](c1ccccc1)n1cncc1C(=O)NCCSSCCN(C)C 618008198 BUHWTCXTGSTPAX-OAHLLOKOSA-N 378.567 3.165 50 1 GGGF COC(=O)C(=O)[C@@H](Cl)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587495430 DCMDIADYWCBTTB-QUCCMNQESA-N 376.836 3.029 50 1 GGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2cc(Cl)ccn2)N1 962918430 HQCWGHJAZJXGBD-BLLLJJGKSA-N 399.647 3.112 50 1 GGGF Cc1nnsc1C(=O)NN(C(=O)c1cccc(C(F)(F)F)c1)C(C)(C)C 103214608 NTAATFDPFLOOKN-UHFFFAOYSA-N 386.399 3.451 50 1 GGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC[C@@H]2Br 587546947 YYKDYVQTNXATQN-RLFYNMQTSA-N 391.217 3.276 50 1 GGGF COc1ccc(C(=O)N/N=C2/C(=O)N(CC=C(C)C)c3ccccc32)cc1F 1857769619 PSVBZPIAHGWZPI-FCDQGJHFSA-N 381.407 3.281 50 1 GGGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2COC(C)=O)ccc1O 2356595737 RATHWHQMVNHBER-UWJYYQICSA-N 398.411 3.402 50 1 GGGF N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(=O)CCl)c1 43024442 SIEFOSZMXTXHGC-UHFFFAOYSA-N 384.244 3.190 50 1 GGGF C=C(C)[C@H](O)CC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H](C=O)C(C(=O)OC)=CC[C@@H]12 238752186 PMPHZBAWDOYBGN-OZFZSNIHSA-N 398.927 3.023 50 1 GGGF Cc1ccc2oc(=O)cc([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2c1 1857633729 LZQLGCNXLHRPNL-LJQANCHMSA-N 398.374 3.426 50 1 GGGF COc1cc(/C=N/NC(=O)/C(O)=C/C2=NC(C)(C)Cc3ccccc32)ccc1O 101647042 IZPROYOYIKIZTC-FASIFTCYSA-N 393.443 3.117 50 1 GGGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4cc[n+](C)cc4)[C@]13OO2 43328072 JWGDASXBGJIMGW-SYAJIYQZSA-N 378.489 3.034 50 1 GGGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1OC 100086802 RQBWHWAIQCALRJ-GMQRBVGNSA-N 399.472 3.179 50 1 GGGF Nc1c(Br)c(OO)c(Br)c(OO)c1Br 584904940 LZZXDGTUENOCKF-UHFFFAOYSA-N 393.813 3.260 50 1 GGGF in-vitro O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCC[C@@H]2Br)N1 963228686 IHMUPPHVSNUJMF-XYJFISCASA-N 375.266 3.367 50 1 GGGF COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC[C@@H]1CCSS1 28569859 NNAHPGCLOVIPRT-KGLIPLIRSA-N 399.534 3.012 50 1 GGGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 43120626 FXRRCBUIBLETPF-UHFFFAOYSA-N 377.224 3.457 50 1 GGGF O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)Cl 28343455 ZRRIGUGWBVHEHB-SCOAYWHSSA-N 395.315 3.327 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)[C@H]2Br)N1 587684941 RNIWCUTUPMSABU-FNSHAYQCSA-N 391.078 3.444 50 1 GGGF COc1ccc2scc(CCNC(=O)CI)c2c1 13738667 QUTSJBPNSMCCKK-UHFFFAOYSA-N 375.231 3.004 50 1 GGGF CCOC(=O)CNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44086568 GJMOIZCVYTXRPG-UHFFFAOYSA-N 379.497 3.156 50 1 GGGF O=C(CCC(=O)N/N=C\c1ccc(Br)s1)NCc1ccccc1 13142227 GOZVPOAXFAHKPG-ODLFYWEKSA-N 394.294 3.057 50 1 GGGF O=C(N/N=C(COc1ccccc1Cl)\N=C\c1ccncc1)c1ccncc1 6004599 JXDPXHLSNCLEIO-JMFVNPTESA-N 393.834 3.371 50 1 GGGF O=C1c2ccc(O)cc2O[C@]2(COC(CCl)=CC2=O)[C@@H]1c1ccc(F)cc1 587325202 CSINPCOGCHITDQ-QUCCMNQESA-N 388.778 3.351 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(O)c(C=O)c1)O2 587375863 VPDCBWLDVAIQQF-GOSISDBHSA-N 390.233 3.351 50 1 GGGF C/C(=N\NC(=O)c1ccn(C)n1)c1cccc(NC(=O)c2ccc(C)s2)c1 673384 DKZXIBWHPHPGMO-FYJGNVAPSA-N 381.461 3.196 50 3 GGGF CC[C@H](/C(=N/NC(=O)C[N+](C)(C)C)c1ccccc1)[C@H]1OC(=O)c2ccccc21 73351856 TUVYXWKSYRJPOW-MDRIXERUSA-O 394.495 3.151 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CNC(C)=O)cc1)[C@@H](C2)C3=O 587418190 SNOARSDCJYBNPF-LAUBAEHRSA-N 385.847 3.213 50 1 GGGF CCCCOc1ccc(CN/C(=C(/C#N)C(=O)OCCOCC)C(C)C)cn1 103180759 FSDHWKXASSUKSO-ZZEZOPTASA-N 389.496 3.363 50 1 GGGF COc1cc(CO/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1C(C)C 27730054 MZTQAOLOSAGWOV-FSJBWODESA-N 397.431 3.294 50 1 GGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)C[C@H](O)C(=C)[C@H]23)[C@](C)(OC(C)=O)CC[C@@H]1OO 2356802961 WPIMDQYZTVEQAM-NMJODBOBSA-N 394.508 3.499 50 1 GGGF N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1nnc(-c2ccccc2)s1 115732614 KRWLDLKFDCKNOW-RIYZIHGNSA-N 376.397 3.479 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC 95808767 CCASMBRFLQRLFT-XDHOZWIPSA-N 399.285 3.421 50 1 GGGF COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)CNC(=O)CCl 587903214 XXHUUCJDEHAXKV-UHFFFAOYSA-N 391.254 3.042 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587416979 HHQOKNJIXMEEMZ-ZQGRQUNCSA-N 393.867 3.430 50 1 GGGF CC(=O)NCc1ccc([C@@]2([C@@H](C)Cl)NCCc3c(C(=O)O)cccc32)s1 963125009 ROUASLWVGYHABE-WYRIXSBYSA-N 392.908 3.099 50 1 GGGF Cc1cc(-c2c(F)cc3/c(=N/NC(N)=O)ccn(C4CC4)c3c2F)cc(C)n1 1484046 IBDCELZVSPWUMM-PCLIKHOPSA-N 383.402 3.417 50 1 GGGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)c3ccsc3CCN2C(N)=O)s1 962720895 YJIFFGHITPKNJF-BTDLBPIBSA-N 397.953 3.253 50 1 GGGF COC1=C/C(=C/NNC(=O)CCn2c3ccccc3c3ccccc32)C=CC1=O 13125054 RIGDEGJYJVTENI-FOCLMDBBSA-N 387.439 3.359 50 3 GGGF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C(=O)NN)c1 587863234 VQYQPQFKIUVJFU-UHFFFAOYSA-N 376.338 3.170 50 1 GGGF O=C(CCCCCI)OCn1oc(=O)c2ccccc21 28226393 JNVGGUUFCMHWHS-UHFFFAOYSA-N 389.189 3.091 50 1 GGGF C=C1[C@@H]2[C@@H](O)C=C(C=O)[C@@H](C=O)[C@@]2(C)[C@@H](OC(=O)C=Cc2ccccc2)C[C@H]1C 2356725935 OKDTYBVVAITUOQ-NSFGVVBKSA-N 394.467 3.145 50 1 GGGF Cc1ccc(C)c2c(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc(=O)oc12 40918401 MKFIGNNFORXTFA-SRZZPIQSSA-N 379.372 3.011 50 1 GGGF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCCCC(=O)NN 587870590 MUUDDLKVERQJPF-UHFFFAOYSA-N 390.459 3.449 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Cc1ccccc1)NC(=O)CCl)O2 587372887 NJTLHUTZYOWPBL-RXVVDRJESA-N 386.879 3.267 50 1 GGGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)NC(=O)CO4)([C@H](C)Cl)[C@@H](C2)C3=O 587417504 NGWNMTDAMJOLBX-GUEQVVBPSA-N 399.830 3.296 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)[C@@H]2Br)N1 587681274 KFICLQKNICWEAC-ISEFBEROSA-N 391.078 3.444 50 1 GGGF Cc1cc(C)n2c(SC/C(O)=C(/C#N)c3nc4ccccc4[nH]3)nnc2n1 102436652 YRHGHFDICQQORM-NTCAYCPXSA-N 377.433 3.202 50 1 GGGF O=C(O)CCC/C=C\C[C@@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@@H]2C[C@H]1CO2 26834522 FWVHUCQOTDZRJR-LEGKTTMDSA-N 387.480 3.165 50 1 GGGF C[C@@H]1CC[C@@H]2[C@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253851878 LMWXYRNXGABKJN-MMMAKBGGSA-N 389.448 3.366 50 1 GGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587495427 DCMDIADYWCBTTB-ICSRJNTNSA-N 376.836 3.029 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169359859 LMWXYRNXGABKJN-YZTVTZFTSA-N 389.448 3.366 50 1 GGGF C=CCc1cc(O)c(-c2c(OC)cc([C@@H]3OO[C@@H]3CO)cc2OC)c(OC)c1 1857628843 KBRRKBVSBKACFV-NQIIRXRSSA-N 388.416 3.177 50 1 GGGF CC(C)C[C@@]1(c2cccc(B(O)O)c2)NCCc2cc(-c3ccccc3)ccc21 962675570 ZWSDUKYYGGUYPU-VWLOTQADSA-N 385.316 3.469 50 1 GGGF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)NCCCCl 1857633017 MDRPHIKWYZIIDS-UHFFFAOYSA-N 382.851 3.249 50 1 GGGF O=C(N/N=C/c1cc(F)ccc1O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O 73141150 IIZXWSUJWKHEDP-HCBMXOAHSA-N 393.296 3.156 50 1 GGGF Cn1cnc(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)c1 13647784 BUTPZNYSYBGWGX-NBVRZTHBSA-N 375.461 3.275 50 1 GGGF O=C(CCCBr)c1c(CO)oc2cc(Br)cnc12 587273730 OHFHSTLNNCTVPZ-UHFFFAOYSA-N 377.032 3.440 50 1 GGGF COC(=O)[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543814 LNRDWYGHUKJJHZ-BEFAXECRSA-N 376.792 3.285 50 1 GGGF O=C(Nc1ccccc1)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccccc32)cc1 1857553328 KZTGAKMPEDOWGH-UHFFFAOYSA-N 399.410 3.417 50 1 GGGF COc1ccc(NC(=O)/C(C)=N/NC(=O)c2ccc(-n3cccc3)cc2)cc1 1772650033 QYVAESRPUPCLEI-HZHRSRAPSA-N 376.416 3.230 50 1 GGGF COc1cc(C)cc([P@@](=O)(OC)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1 653721980 ZKUWNARBOXDNCO-AREMUKBSSA-N 392.779 3.113 50 1 GGGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586974221 SUWQZUYRDLAWCX-SNVBAGLBSA-N 394.294 3.257 50 1 GGGF CC(=O)OCC=C(COC(C)=O)C[C@H](C=C(C)CCC=C(C)C=O)OC(C)=O 2356602598 FWUMLHDMPGDCOH-NRFANRHFSA-N 394.464 3.233 50 1 GGGF C=CC[C@@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195505930 AJZMFWIZHTZCOB-OAGGEKHMSA-N 380.561 3.347 50 1 GGGF COc1cc2c3c(c1)O[C@](c1ccc(CNC(C)=O)o1)([C@H](C)Cl)[C@@H](C2)C3=O 587417026 IKYGVYRJUPIJQZ-KAFSRPFYSA-N 389.835 3.195 50 1 GGGF O=C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C/Nc1nccs1 587898185 DPSYXGUVTWDJJY-ZRDIBKRKSA-N 394.283 3.307 50 1 GGGF C[C@@]1(C(=O)CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539255 VBCRSCSDQPUIOR-PBHICJAKSA-N 377.190 3.077 50 1 GGGF NC1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 169321472 UYZDQGKOZDXILQ-UHFFFAOYSA-N 378.513 3.111 50 1 GGGF CC(C)[C@]12SS[C@]([C@@H](O)c3c[nH]c4ccccc34)(CC1=O)C(=O)N2C 1911574343 PVSYNDDOFMBNFC-SZMVWBNQSA-N 376.503 3.119 50 1 GGGF CN(C)/C=C(/C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543820 LRCKSTCDCMRTPW-RMXKGHGPSA-N 384.819 3.300 50 1 GGGF Cc1cc(I)ccc1Oc1ccc(/C=N/NC(N)=O)cc1 27319720 IWMZMYXRLWDAAU-GIJQJNRQSA-N 395.200 3.394 50 1 GGGF COc1cc(CC/C=N/NC(N)=O)cc2cc(-c3ccc4c(c3)OCO4)oc12 66101459 XLPLOIINLMYCTJ-GEVRCRHISA-N 381.388 3.424 50 1 GGGF C=C(c1ccc(C)cc1)[C@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43523689 CSZLEGOIWJRLRP-IDYZSHNDSA-N 390.432 3.402 50 1 GGGF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@H]1[C@@H](O)C=C(C=O)[C@@H]2C=O 238741902 RJMZKVMAXFDSJD-GCBYSCPTSA-N 396.483 3.369 50 1 GGGF C=C1Cc2c(O)c(OC)cc(O)c2C(=O)[C@H]2O[C@]2(C)CC[C@H]1Br 1857631841 VDXPBOPJAAHSKV-FDOKIQAASA-N 383.238 3.103 50 1 GGGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1nc2c(Cl)cccc2s1 35794511 FQMQYBHNDFGEDG-NSHDSACASA-N 398.271 3.448 50 1 GGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@H]2[C@@H]1c1cc2c(C)n[nH]c2cc1F 169703258 AALHLPVAYBUAFB-QWHCGFSZSA-N 378.285 3.415 50 1 GGGF O=C(N/N=C/c1ccccn1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473165970 CUCILHUQGFKHIG-YDZHTSKRSA-N 385.383 3.268 50 1 GGGF C=C(C)[C@H](O)CC[C@@]1(C)[C@H]2CC=C(C(=O)OC)[C@H](C=O)[C@@]2(C)[C@@H](O)C[C@H]1Cl 2356454571 PMPHZBAWDOYBGN-NLKQXVMISA-N 398.927 3.023 50 1 GGGF C[C@@](Br)(CCl)[C@@H](O)C[C@@H](Cl)[C@@](C)(O)C=CBr 2356624361 BNEHRLDXDDBGIG-RGOKHQFPSA-N 398.950 3.397 50 1 GGGF COc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1OC 95582130 FZCCLKVTVDSYDK-LFVJCYFKSA-N 395.503 3.109 50 1 GGGF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587192138 RMBWEURBTJHGIO-KRWDZBQOSA-N 395.463 3.123 50 1 GGGF Cc1ccc(-n2ccnc2SCc2nc3ccc(C(=O)NN)cc3[nH]2)c(C)c1 586966114 GANVLBGXAQDHOV-UHFFFAOYSA-N 392.488 3.261 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NS(C)(=O)=O)cc1)O2 587408078 DSRMPAOQQWQGRL-GOSISDBHSA-N 394.880 3.048 50 1 GGGF CC[C@]1([C@H](Cl)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542642 HZFKVZLOHUCHAE-BJZITVGISA-N 376.792 3.283 50 1 GGGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCl)(c2cscn2)N1 962645193 VODIUOCVTIWDRK-SMDDNHRTSA-N 392.786 3.123 50 1 GGGF O=C(CCc1ccccc1)N/N=C\c1cc2c(cc1Br)OCO2 33398172 QASYTPOBTLLTQP-GRSHGNNSSA-N 375.222 3.261 50 3 GGGF CC(=O)OC[C@@]1(O)C[C@@H](/C(C)=C\C=C\C(C)(C)OO)C[C@H]1[C@H]1C(=O)C=C[C@H]1C 238747801 MXWMKZXEYLQEQX-FCCFJEGMSA-N 392.492 3.469 50 1 GGGF O=C(NC1CSSC1)[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621477774 LKIWYTIXZCMEGQ-LLVKDONJSA-N 393.509 3.039 50 1 GGGF Cn1nncc1[C@]1(CCl)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963198530 WDDPFAVKSBDLRH-CTNGQTDRSA-N 377.879 3.420 50 1 GGGF COC(=O)C1=CN(c2ccc(C)cc2)C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 95604597 XKRFTKGBSYVALO-HXUWFJFHSA-N 375.428 3.358 50 3 GGGF CO[P@@](=O)(c1ccc(C)c(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425656 ITEUVHRIQDJUMO-VWLOTQADSA-N 376.780 3.412 50 1 GGGF CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCC[C@@H](O)C3)cc2)cc1 1857745825 GKNNEWHUNQFSME-PPRFWAEMSA-N 383.517 3.129 50 1 GGGF CC(C)CN(NC(=O)c1ccc2ccccc2n1)c1nc(C#N)ncc1Cl 58568673 JYJWGTJQXSRXIW-UHFFFAOYSA-N 380.839 3.357 50 1 GGGF CC(=O)O[C@]1(O)CC[C@H](C(C)=CC=CC(C)(C)OO)[C@@H]1[C@@H]1C(=O)C=C[C@@H]1C 2356545423 SMHGBAYGYMMHKI-GOQBWSAFSA-N 378.465 3.426 50 1 GGGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C(=C(C)C=O)C(=O)C[C@H]32)[C@]1(C)C(=O)O 2356313411 YKSQIXGEPIKIQP-YHOAHWDJSA-N 390.476 3.330 50 1 GGGF O=C1NC(CCl)=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)N1 73310936 XJKNYPGMONOBCF-KRWDZBQOSA-N 378.856 3.363 50 1 GGGF O=C(N/N=C(COc1ccc(Cl)cc1)\N=C\c1cccnc1)c1ccncc1 6004634 GQCQKHGHIULUAB-JMFVNPTESA-N 393.834 3.371 50 1 GGGF CO[P@@](=O)(c1cc(F)cc(F)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425541 JFFAJDXFBFYNPJ-VWLOTQADSA-N 384.706 3.074 50 1 GGGF Cc1nn(CCCCCl)c(C)c1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963465385 CETCJRKAJYBDTD-KXBFYZLASA-N 391.899 3.221 50 1 GGGF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 14951723 RJNDVCNWVBWHLY-BONNEZBESA-N 387.480 3.308 50 1 GGGF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NN(C)C)cc1 1857596068 RRKBNXXLNHGLGX-OUKQBFOZSA-N 376.504 3.415 50 1 GGGF O=C1c2ccccc2C(=O)N1CCP(=O)(c1ccccc1)c1ccccc1 1563087 MKIPXFVJTSSKGR-UHFFFAOYSA-N 375.364 3.297 50 1 GGGF CC[C@H](Cl)Cc1nc(CO)cn1Cc1ccc2cc(-c3nn[nH]n3)ccc2c1 1857560382 AWQRHLIHFZQPPK-KRWDZBQOSA-N 396.882 3.317 50 1 GGGF CC1(C)OB(c2ccc(N(CCCl)CCBr)cc2)OC1(C)C 207142918 HAASDYURASFCKG-UHFFFAOYSA-N 388.542 3.426 50 1 GGGF COc1cc(/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Br 586976351 IMBIDKIYQILWEJ-CLTKARDFSA-N 387.237 3.108 50 1 GGGF NNC(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162208 FOIIDUFPALLDQW-UHFFFAOYSA-N 389.390 3.225 50 1 GGGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206166 PFPRRXCQEZVGSC-ZBFHGGJFSA-N 390.226 3.196 50 1 GGGF CC(C)N(C(=O)OC(C)(C)C)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 73295428 JSMORBHFGATHII-CYVLTUHYSA-N 385.333 3.320 50 1 GGGF N#C/C(=C1\SC(=O)CN1C1CCCCC1)c1nc2cc(C(=O)O)ccc2[nH]1 53226714 LQUFFMJVFNKNAH-QGOAFFKASA-N 382.445 3.361 50 1 GGGF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587192139 RMBWEURBTJHGIO-QGZVFWFLSA-N 395.463 3.123 50 1 GGGF CCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 35997027 SSZMEBZRSSEYHK-UHFFFAOYSA-N 395.371 3.198 50 1 GGGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 101400335 QQTFYANRDKCCPR-GFOJFJKKSA-N 388.485 3.237 50 1 GGGF COc1cc(O)c2c(c1O)CC(CBr)=CCC[C@@]1(C)O[C@@H]1C2=O 1857634261 FBLQLPHQMIJPLO-IAGOWNOFSA-N 383.238 3.104 50 1 GGGF CCO/C(C)=C(/C#N)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923977 VWSACNCCRSIJOU-QINSGFPZSA-N 377.491 3.497 50 1 GGGF COc1ccc(Cl)cc1C#Cc1c(OCC(=O)NN)ccc2ccccc12 587911212 NSNMVVLTRSCQCZ-UHFFFAOYSA-N 380.831 3.270 50 1 GGGF COc1cc2c3c(c1)O[C@]1(C=C(C=O)OC=C1OCc1ccccc1)[C@@H](C2)C3=O 587457048 ZDKWYSJTLKNYSE-FDDCHVKYSA-N 390.391 3.353 50 1 GGGF C/C=C/CC(=O)NNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299255 NDPLSUIGIJUMCQ-SNAWJCMRSA-N 378.428 3.219 50 1 GGGF C=C[C@@]1(C)[C@H](N=C)[C@]2(O)C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl 2356436402 KUYNYZIXDYKMEA-HMRHVSHDSA-N 388.895 3.349 50 1 GGGF CCOC(=O)C[C@@H]1C(C#N)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 95561114 NMFXYCGLBSAGJF-KRWDZBQOSA-N 394.427 3.494 50 1 GGGF COc1ccc(/C=C(\C#N)[S@](=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857649144 SWNACQKZRSSFCB-AXVLYVPRSA-N 389.429 3.099 50 1 GGGF CN(Cc1ccccc1)C(=O)C(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147602304 ALDHDDMFPOSRPI-VIZOYTHASA-N 382.485 3.434 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3c(cc2[nH]1)OCO3 587009417 FAKWQMOPUIXQQV-INIZCTEOSA-N 396.834 3.412 50 1 GGGF Cc1nn(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)c(C)c1Cl 587065536 ROIIIOHJZDCGGJ-UHFFFAOYSA-N 380.839 3.289 50 1 GGGF CC[C@H](Br)C(=O)c1c(CO)oc2cc(Br)cnc12 587274074 RZKBIFSNZCELHT-ZETCQYMHSA-N 377.032 3.439 50 1 GGGF C[C@@H](Br)C(=O)Nc1cccc(C(=O)NC(=O)Nc2ccccc2)c1 40936609 IVJFKNUMPQTJFZ-LLVKDONJSA-N 390.237 3.370 50 1 GGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4[nH]c(C)nc4cc32)cc(OC)c1OC 1857649234 PWTHOTNRFMDBCM-IBGZPJMESA-N 392.415 3.115 50 1 GGGF C=CC[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195505931 AJZMFWIZHTZCOB-BZUAXINKSA-N 380.561 3.347 50 1 GGGF C=C(C)[C@H](O)CC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@@H](C=O)C(C(=O)OC)=CC[C@@H]12 2356454569 PMPHZBAWDOYBGN-CSMRHZIVSA-N 398.927 3.023 50 1 GGGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@@]1([C@@H]1C(=O)Nc2ccccc21)CC3 1857646284 KVOWLZQJANGHNM-CYFREDJKSA-N 394.434 3.304 50 1 GGGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4cc[n+](C)cc4)[C@@]13OO2 100036637 JWGDASXBGJIMGW-NXNFSMPISA-N 378.489 3.034 50 1 GGGF O=C(CNC(=O)OCc1ccccc1)N[C@H](/C=C/CCl)Cc1ccccc1 26375678 AMWIUNJAJJOREJ-LKQLOZHYSA-N 386.879 3.435 50 1 GGGF C[C@@H](Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)NN 587507113 APEUXHYUTXCPGD-FATZIPQQSA-N 394.471 3.203 50 1 GGGF Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2O)c(C)c1 96900787 YEUUDXBDRLGHEL-SRZZPIQSSA-N 393.403 3.175 50 1 GGGF CC(C)(C)OC(=O)NN(CC1CCC1)c1nc(C#N)ncc1Br 58568375 IGBAAVOPGUWRGC-UHFFFAOYSA-N 382.262 3.157 50 1 GGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)cc1O 95809762 GDODCKHGSJPXJY-HYARGMPZSA-N 399.447 3.233 50 1 GGGF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)NCCCl)cc1 587918168 DWZJBRNQKLTURS-UHFFFAOYSA-N 384.284 3.266 50 1 GGGF Cn1nncc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326358 LFJNZQPOQVYCAT-HKUYNNGSSA-N 387.798 3.153 50 1 GGGF Cc1cc2c(c(O)c1O)[C@@]1(O)OC(=O)[C@@](C)(CC2)[C@@H](C(C)C)[C@@H]1Br 2356802982 WPNLKYNJHXWRKN-XXXNUIEVSA-N 399.281 3.096 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CNC(=O)[C@@H](C)Cl)N1 587687442 GTVJFMDTUIIJDA-KEMUVXCRSA-N 377.685 3.081 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)oc(=O)n4C)[C@@H](C2)C3=O 587419023 WCZXZVDTZLWYAQ-RBZFPXEDSA-N 385.803 3.022 50 1 GGGF CCOC(=O)C(C)(C)[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414162 KWVDVUGRSHADSF-KZULUSFZSA-N 397.265 3.166 50 1 GGGF Cc1nc(Br)sc1C(=O)N(C)CCSSCCN(C)C 618010380 WEMRIACIIRSOCN-UHFFFAOYSA-N 398.417 3.229 50 1 GGGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2C(CCl)(CCl)N1 962922585 DGTCTZVCHZWZQV-INIZCTEOSA-N 382.243 3.456 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)s1 95808708 XTHRGQBMTHHYDZ-MHWRWJLKSA-N 375.288 3.474 50 1 GGGF CN(C)CCSSCCNC(=O)Cc1ccc(OC(F)(F)F)cc1 618009098 RXUHUHWVLJQUMR-UHFFFAOYSA-N 382.473 3.187 50 1 GGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1cccc(N)c1 963637530 SOOFZRQVVAOELM-BUXKBTBVSA-N 391.309 3.459 50 1 GGGF Cn1ncc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587328801 VPWZNQIMNITXSQ-MJGOQNOKSA-N 387.798 3.153 50 1 GGGF Cc1ccc2oc(=O)cc([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2c1 1857633728 LZQLGCNXLHRPNL-IBGZPJMESA-N 398.374 3.426 50 1 GGGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccc(F)c1 473126008 YUKXLQPAPPJTRZ-ZMOGYAJESA-N 392.390 3.002 50 1 GGGF COc1cc2c(cc1OC)[C@@]1(C(=C(C#N)C#N)C(=O)c3ccccc31)N(C)[C@H](C)C2 962645307 ZJGZUBOBEKUPME-SHACYNPGSA-N 399.450 3.364 50 1 GGGF Cc1cc2c(c(=O)o1)[C@@H](c1c[nH]c3ccc(Br)cc13)C(C#N)=C(N)O2 103199334 OFSQYVOSFLPGHG-OAHLLOKOSA-N 398.216 3.410 50 1 GGGF COC(=O)C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325339 DSHOXLWDVOWQEO-HKUYNNGSSA-N 378.783 3.431 50 1 GGGF O=C(C=C(Br)Br)C(Br)Br 85921946 AOFZTNZDGDRGLR-UHFFFAOYSA-N 385.675 3.303 50 1 GGGF CC(=O)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587671811 BEUYOSMMTQMEKU-UHLUBPPHSA-N 379.067 3.302 50 1 GGGF Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(-n2ccnc2)cc1 1857627666 MCEJVLJRUOFSGL-IBGZPJMESA-N 394.438 3.491 50 1 GGGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C(\C)c3cnccn3)sc2c1 1857603812 LGROPDMTUGUBJV-ZMOGYAJESA-N 397.508 3.474 50 1 GGGF O=C(Cl)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587277050 XAOWNKWWBAYPEM-UHFFFAOYSA-N 395.596 3.088 50 1 GGGF C[C@@H]1CC[C@@H]2[C@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253851884 LMWXYRNXGABKJN-VSEZFVMTSA-N 389.448 3.366 50 1 GGGF COc1cc2c(cc1OC)[C@]1(C(C=O)=COc3cccc(OC)c31)N(C)[C@@H](C)C2 962567994 KPTBPNICQBMTRI-PSLXWICFSA-N 395.455 3.308 50 1 GGGF CCCS(=O)(=O)Nc1n[nH]c2ccc([C@@H]3C(C#N)=C(C)N=C(C)[C@H]3C#N)cc12 169694586 WRCJDQCOMLIFGQ-QAPCUYQASA-N 396.476 3.210 50 1 GGGF CC[C@@]1(CNC(=O)CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587687019 YMQPZPDXXDRFBL-PSLIRLAXSA-N 377.685 3.083 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1ccc(Cl)cc1)O2 587371103 CWMPZDQGHCJHSZ-LJQANCHMSA-N 393.270 3.446 50 1 GGGF CCc1ccccc1OS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 95556003 JZABDTQECQGZTK-UHFFFAOYSA-N 382.869 3.377 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2c(F)cccc2F)cc1 473152336 SXERUQJRUUBJBX-UHFFFAOYSA-N 390.795 3.093 50 1 GGGF C[C@@H]1CC[C@H]2[C@](C)(COC(=O)c3ccco3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772640269 JUELWNXUYXQKDW-BSNNBWILSA-N 378.421 3.441 50 1 GGGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206158 PFPRRXCQEZVGSC-GOEBONIOSA-N 390.226 3.196 50 1 GGGF CN(/N=N/c1nc(OCc2ccccc2)c2nc[nH]c2n1)C(=O)c1cccnc1 28637701 KMWINZKPBZOZNR-OCEACIFDSA-N 388.391 3.098 50 1 GGGF COc1ccc(Cl)cc1C#Cc1csc(C(=O)NN)c1Br 587918840 LAXHULGACYAEEO-UHFFFAOYSA-N 385.670 3.176 50 1 GGGF CC(=O)OC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327719 RBJHRBWIPIVYLZ-HKUYNNGSSA-N 378.783 3.431 50 1 GGGF CCCS(=O)(=O)Nc1n[nH]c2ccc([C@@H]3C(C#N)=C(C)N=C(C)[C@@H]3C#N)cc12 169694584 WRCJDQCOMLIFGQ-YJBOKZPZSA-N 396.476 3.210 50 1 GGGF CN1C(=O)C[C@H]2CN[C@@](CCCCCl)(CC3OCCO3)c3cccc1c32 963016075 CFDHNQVYCDOPIO-XOBRGWDASA-N 378.900 3.107 50 1 GGGF C[n+]1ccc([C@@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)cc1 38145333 JFHFEAUXSRVQCH-YUIBMZAKSA-N 389.504 3.118 50 1 GGGF COC(=O)CCCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169364889 UPDSIDSLDGLENK-VJDBPIJISA-N 384.469 3.164 50 1 GGGF CN(C)c1ccc(C2=C[C]3c4cc5c(cc4CCN3C(N)=C2C#N)OCO5)cc1 2356815251 QILSXGGFFUCDAB-UHFFFAOYSA-N 385.447 3.011 50 1 GGGF COc1cc2c3c(c1)O[C@@]1(C=C(C=O)OC=C1OCc1ccccc1)[C@@H](C2)C3=O 587457056 ZDKWYSJTLKNYSE-MBSDFSHPSA-N 390.391 3.353 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)CBr)N1 587674725 ZRSUWZOWLDARDB-UHLUBPPHSA-N 379.067 3.302 50 1 GGGF CC(=O)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673777 PWXHCUYEBUPQHW-CPFSXVBKSA-N 379.067 3.302 50 1 GGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)CBr)N1 587674726 ZRSUWZOWLDARDB-WPPNPWJKSA-N 379.067 3.302 50 1 GGGF Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccc(N(C)C)cc3)cc(=O)oc12 40918121 SPAPYJADANIAHR-YDZHTSKRSA-N 377.444 3.169 50 1 GGGF O=C1Nc2ccccc2/C1=C/c1ccc(N2CCN(C(=O)CCCl)CC2)cc1 299835119 LSMZOIVOZFFQQJ-CYVLTUHYSA-N 395.890 3.457 50 1 GGGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=O)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O 2356313409 YKSQIXGEPIKIQP-HBVNUNPYSA-N 390.476 3.330 50 1 GGGF COc1ccc2[nH]c(S(=O)(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1 1654549 ISMNEULRVCNSIM-LBPRGKRZSA-N 391.880 3.290 50 1 GGGF O=C(CCl)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 27198986 HHFKNZYLMCEJQE-LJQANCHMSA-N 398.890 3.072 50 1 GGGF Oc1nc(NCc2ccccc2)c2nc(CCCCBr)nc-2[nH]1 586972409 QARJFRGLEKRLRB-UHFFFAOYSA-N 376.258 3.340 50 1 GGGF COc1ccc(C2=NN(C(=O)CBr)[C@H](c3ccco3)C2)cc1OC 42989685 BRPHPUCMQQONHN-ZDUSSCGKSA-N 393.237 3.369 50 1 GGGF C=CCc1cc(O)c(-c2c(OC)cc([C@H]3OO[C@H]3CO)cc2OC)c(OC)c1 1857747252 KBRRKBVSBKACFV-GHTZIAJQSA-N 388.416 3.177 50 1 GGGF O=C(CCCl)N[C@@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O 199408222 CZMFLQJYJOHRPA-CQSZACIVSA-N 392.805 3.211 50 3 GGGF Cc1cc2c(cc1F)[C@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)NCC2 962089695 HPYYTBIRTXAUMG-GDBMZVCRSA-N 378.797 3.267 50 1 GGGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2cccc(-c3cccc(F)c3)c21 72180373 LLMHECOJDHLDSN-UHFFFAOYSA-N 389.386 3.213 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(CCO)cc2[nH]1 587009866 WISTWIROZNYQDA-IBGZPJMESA-N 396.878 3.218 50 1 GGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccc(F)cc1 103206173 SVKMKEIRRXRYJI-HIFRSBDPSA-N 378.190 3.326 50 1 GGGF CC(=O)c1c(C)[nH]c([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962926529 PNTPLXPQIAUISL-OAQYLSRUSA-N 387.911 3.164 50 1 GGGF N#C/C(=C\c1cccn1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 66147769 AQUSJXWXQLSIRP-XMHGGMMESA-N 398.465 3.063 50 1 GGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558209 VIJNVPWMUXOITN-HNJNHCNJSA-N 398.745 3.138 50 1 GGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356426379 WKHLFLBJNFQCAE-FUMNGEBKSA-N 388.460 3.233 50 1 GGGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(OC(=O)[C@H](C)N)c2)ccc1OC 73196686 ARCWEVSTONGWAK-FBJMNJBLSA-N 396.443 3.310 50 1 GGGF CC(=O)OC/C=C(\COC(C)=O)C[C@H](/C=C(\C)CC/C=C(\C)C=O)OC(C)=O 238775376 FWUMLHDMPGDCOH-OZLISMEPSA-N 394.464 3.233 50 1 GGGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2/N=C/CCn2nnc3ccccc32)cc1 66262776 BATFVIUUJZPEIA-IRPSRWQTSA-N 383.839 3.007 50 1 GGGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)NC(=O)CO4)([C@@H](C)Cl)[C@@H](C2)C3=O 587417505 NGWNMTDAMJOLBX-JTWCOAEXSA-N 399.830 3.296 50 1 GGGF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C(=O)NN)cc2[nH]1 587044405 ATDPTAWMTFHKNU-UHFFFAOYSA-N 381.219 3.157 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)CBr)N1 587673775 PVXQBVGZMRMBRL-UHLUBPPHSA-N 379.067 3.302 50 1 GGGF O=C(CC1=NC2(CCCC2)Cc2ccccc21)C(=O)N/N=C/c1ccccc1O 169689457 VFBQUIGJHIOTQT-BUVRLJJBSA-N 389.455 3.160 50 1 GGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC[C@@H]2Br 587546943 YYKDYVQTNXATQN-MPGHIAIKSA-N 391.217 3.276 50 1 GGGF O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)c1 95808779 CNLQGGZTSOMCEP-HYARGMPZSA-N 375.384 3.362 50 1 GGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(CCBr)cc2)N1 962905055 OLXLXJGPXHDUQI-IRXDYDNUSA-N 378.241 3.451 50 1 GGGF C=C(c1ccccc1)[C@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 43491163 OZIHMPBFBKBBQQ-OHTSDLOESA-N 376.405 3.094 50 1 GGGF COc1ccc(-c2nn(C)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1OC 143494460 JRPYVPUCLKTUEM-SFHVURJKSA-N 388.427 3.322 50 1 GGGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])cc1 1772599576 NSTHLBZRFTXSRR-KRWDZBQOSA-N 376.372 3.248 50 1 GGGF C[C@@H]1CC[C@@H]2[C@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253851875 LMWXYRNXGABKJN-GCKMBOLQSA-N 389.448 3.366 50 1 GGGF N#Cc1c(CCl)c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)n2ccccc12 962917048 YSJHCCWOIFGENP-WMZOPIPTSA-N 383.810 3.377 50 1 GGGF O=CC1=COc2cc(F)ccc2[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962704851 DJWPZSCHOZPHHK-LPHOPBHVSA-N 391.320 3.190 50 1 GGGF COC(=O)[C@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543816 LNRDWYGHUKJJHZ-HNAYVOBHSA-N 376.792 3.285 50 1 GGGF CCn1cc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c(=O)c2ccc(C)nc21 103212608 CIIHOHYLIVDEEH-UHFFFAOYSA-N 378.476 3.267 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)ccc21 586908176 ZOCVSLSNRFXQAE-UHFFFAOYSA-N 394.342 3.316 50 1 GGGF N#C/C(=C\c1ccccc1OCCN1CCOCC1)c1noc2ccc(O)cc12 40641212 ZEDTVNKYJCCVPG-GHRIWEEISA-N 391.427 3.309 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cl)C(=O)N(C)C)N1 587687874 IZPZQXJQMMPAPJ-AFEMSUNCSA-N 377.685 3.033 50 1 GGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC[C@H]2Br 587546949 YYKDYVQTNXATQN-RVKKMQEKSA-N 391.217 3.276 50 1 GGGF COc1cccc([C@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)c1 103175396 LRZLCCSZASARJS-ZBFHGGJFSA-N 390.226 3.196 50 1 GGGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586974220 SUWQZUYRDLAWCX-JTQLQIEISA-N 394.294 3.257 50 1 GGGF COC(=O)Cc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452712 TWCRDQZLZXNIKF-YJYMSZOUSA-N 392.860 3.354 50 1 GGGF COc1ccc([C@@H]2C(=O)[C@H](c3c[nH]c4ccccc34)NN2C(=O)CCl)cc1 169688314 YUXRMQWZFVLLAB-RBUKOAKNSA-N 383.835 3.114 50 1 GGGF COc1cc(/C(O)=C(/C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc(OC)c1OC 205869345 UPKVLHPMAWUVNV-DYTRJAOYSA-O 392.435 3.474 50 1 GGGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2COC(C)=O)ccc1O 213564700 RATHWHQMVNHBER-HCIHWQEHSA-N 398.411 3.402 50 1 GGGF CC(=S)NC[C@H]1CN(c2ccc(N3CCC(=CC#N)CC3)c(F)c2)C(=O)O1 38426214 RMFLSFOARRWYQQ-INIZCTEOSA-N 388.468 3.138 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CNC(=O)[C@@H](C)Cl)N1 587689978 YHPPQANDLXJHDM-XWRVAKJBSA-N 377.685 3.081 50 1 GGGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)Nc1ccccc12 53294164 FPRLNXBZQWLKGG-JOCHJYFZSA-N 379.379 3.017 50 1 GGGF COC(=O)[C@@H](C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911578199 ZNDFKLONMXLMAH-PWUBZXMISA-N 384.469 3.020 50 1 GGGF COc1c(CBr)c(OC(C)=O)cc2c1C(=O)c1ccccc1C2=O 98085544 NPAOTSATJJZMMP-UHFFFAOYSA-N 389.201 3.291 50 1 GGGF NC(=O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587546034 USVADEWKHICQPS-UZLBHIALSA-N 399.786 3.180 50 1 GGGF C[n+]1c(/C=C/c2ccc(/C=N/NC(=O)c3ccc(N)cc3)cc2)cn2ccccc21 26833419 FKLSACCRFYKQTM-AQQMUFCHSA-O 396.474 3.280 50 1 GGGF CO[C@]1(C)OO[C@]2(CC[C@H]3C[C@@H]2C3(C)C)C[C@H]1CNCCCn1ccnc1 1857551460 UZQAAABOBOYJOL-FSAOVCISSA-N 377.529 3.388 50 1 GGGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1F 1857572357 SQSCMNYNKQNGTI-UHFFFAOYSA-N 378.812 3.256 50 1 GGGF C=CC/N=C(\S)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103195924 FGGARZALAYBCKS-GJAVSMJOSA-N 383.510 3.479 50 1 GGGF Cc1nnsc1C(=O)N(NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C 103214506 QXPMHYWOQKLTQC-UHFFFAOYSA-N 386.399 3.451 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)C=O)N1 587671319 QUYZXZWZNONIGA-OHILOLKFSA-N 379.067 3.300 50 1 GGGF CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)(C)OO 1642676393 AXIKJXFBAZHPGT-MQADGVMYSA-N 394.464 3.094 50 1 GGGF C[C@H]1CC[C@@H]2[C@@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169359858 LMWXYRNXGABKJN-LUMZYTNTSA-N 389.448 3.366 50 1 GGGF CC(=O)NCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587408640 CSPIAMLRCCWDAP-GOSISDBHSA-N 378.881 3.374 50 1 GGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(OC)c1OC 38465809 OHHRKHWMCQDTRS-LJQANCHMSA-N 389.411 3.479 50 1 GGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1C(=O)O 95808898 GVJLMFGRNXTTQO-HYARGMPZSA-N 397.431 3.130 50 1 GGGF N#CC(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962918576 IOTQKIDYVAMSKH-PXNSSMCTSA-N 398.825 3.131 50 1 GGGF NC(=O)Sc1ccc(N(CCBr)CCBr)cc1 169315119 CNFZSBCTLHVDMZ-UHFFFAOYSA-N 382.121 3.454 50 1 GGGF CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 17269069 FEAWHEOQFLAVBV-UHFFFAOYSA-N 395.371 3.328 50 1 GGGF Cc1ccc2nc(C)n(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)c(=O)c2c1 84653600 CBEMOIHZGHMUOL-XNTDXEJSSA-N 378.819 3.344 50 1 GGGF CCOc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 473146948 DWCKCKBXKVZJFW-UHFFFAOYSA-N 398.868 3.213 50 1 GGGF COC(=O)C(=O)[C@@H](Cl)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587495432 DCMDIADYWCBTTB-UYAOXDASSA-N 376.836 3.029 50 1 GGGF CCCCN1C(=O)CS/C1=N/NC(=O)COc1ccc(Cl)cc1Cl 1772639682 ZCHZTTOTWMLVCW-XDJHFCHBSA-N 390.292 3.135 50 1 GGGF Cc1nnsc1C(=O)N(NC(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C 103214462 ZHNPMVAWTVVTFG-UHFFFAOYSA-N 386.399 3.451 50 1 GGGF CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1C[C@@H](N2CCCC2)CS1(=O)=O 195168274 ZOGJRVKTPPLSGP-IAGOWNOFSA-N 390.666 3.143 50 1 GGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(Cc2ccccc2)N1 962897351 MLQLZUPOWTUYPM-MAUKXSAKSA-N 378.241 3.258 50 1 GGGF Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Br)cc1 1772649080 QUBALYGUNOJMEO-IFRROFPPSA-N 387.159 3.209 50 1 GGGF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 13815389 RJNDVCNWVBWHLY-XSEUMKQUSA-N 387.480 3.308 50 1 GGGF CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccccc1)C(C#N)=C(N)O2 299826056 XBBAVVFPJFFKPZ-QZNHQXDQSA-N 375.472 3.359 50 1 GGGF NNC(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587122380 KNJZRHJHOFLRCG-UHFFFAOYSA-N 396.394 3.498 50 1 GGGF COC(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323877 NGZURCLOJCVBMS-IEZWGBDMSA-N 378.783 3.429 50 1 GGGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2n1C 103029235 WZPRXMVIAAVQOZ-JMIUGGIZSA-N 387.237 3.195 50 1 GGGF CCCCC/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C(C=O)=C3C=C(C)OC=C3[C@H]12 1857656007 HYEJNLWCOJWBHX-XYQYRNLQSA-N 384.428 3.136 50 1 GGGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCl)(c2cscn2)N1 962645189 VODIUOCVTIWDRK-BXUZGUMPSA-N 392.786 3.123 50 1 GGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(C(=O)O)c1 95808899 MYCSSHWBQSPOJD-HYARGMPZSA-N 397.431 3.130 50 1 GGGF CO[P@](=O)(c1cccc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59426111 HVAHBIRQPQOZSG-VJZXDCJYSA-N 399.774 3.332 50 1 GGGF COc1cc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O 72175372 AAVPXXBJWRWVPH-RGVLZGJSSA-N 381.344 3.333 50 1 GGGF COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)cc1OC(=O)CCl 96927039 BPETZROOEUQPAR-UHFFFAOYSA-N 388.725 3.496 50 1 GGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1cccc(N)c1 963637533 SOOFZRQVVAOELM-CWTRNNRKSA-N 391.309 3.459 50 1 GGGF N#Cc1c(NC(=O)CCl)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2 103280023 DCCSSABVIHUOAO-UHFFFAOYSA-N 377.231 3.389 50 1 GGGF CCOC(=O)C/C(C)=N/NC(=O)Cn1c(-c2ccc(C)o2)nc2ccccc21 299823035 JPFZXMLNUCDOJW-LPYMAVHISA-N 382.420 3.050 50 1 GGGF CN(C)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324914 VNEPNKMSQNZIQJ-KPFFTGBYSA-N 391.826 3.345 50 1 GGGF COc1ccc2c(c1)[C@@]1(C(C=O)=C(N)O2)c2ccc(C(F)(F)F)c3c2CCN31 962698222 GJCSAWCUELPNIP-LJQANCHMSA-N 388.345 3.095 50 1 GGGF CC1(C)C[N@]1P(=O)(NC(=O)OCc1ccccc1[N+](=O)[O-])[N@@]1CC1(C)C 1857535771 LSFSZBLLDIFDHS-OALUTQOASA-N 382.357 3.118 50 1 GGGF CCC[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009489 YXPLPQVVODUDMT-AWEZNQCLSA-N 393.619 3.081 50 1 GGGF CN(C)CCSSCCCn1cc(CN(C)Cc2ccccc2)nn1 618010186 RWUPOWBBMVOOPV-UHFFFAOYSA-N 379.599 3.243 50 1 GGGF C/C(NNC(=O)COc1ccccc1-c1ccccc1)=C1/C=CC(=O)C=C1O 103916130 LXPOQSNNWKMKRJ-OBGWFSINSA-N 376.412 3.208 50 3 GGGF COC(=O)CC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543897 MKGRGUJFNXSMLM-VQIMIIECSA-N 376.792 3.285 50 1 GGGF COc1ccc2[nH]cc(CC(=O)NCCCSSCCN(C)C)c2c1 618017514 RPGHWWPLXIXFHE-UHFFFAOYSA-N 381.567 3.168 50 1 GGGF COc1ccc(Cl)cc1C#Cc1ccc(O[C@@H](C)C(=O)NN)c(Cl)c1 587902428 UKVUPAYSSLRMDI-NSHDSACASA-N 379.243 3.159 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)O2 587382876 UABZNLNNPAYDBD-CJNGLKHVSA-N 390.789 3.073 50 1 GGGF CC(=O)NCc1ccc([C@@]2([C@@H](C)Cl)c3ccsc3CCN2C(N)=O)s1 962720891 YJIFFGHITPKNJF-BMLIUANNSA-N 397.953 3.253 50 1 GGGF CN(C)CCSSCCNC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1 618017024 DZBPJVJKLQKLHX-UHFFFAOYSA-N 392.472 3.255 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(CCN1C(=O)c3ccccc3C1=O)O2 587371963 IRXUOHFOONJSJX-NRFANRHFSA-N 398.846 3.206 50 1 GGGF COc1ccnc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372580 JVIHPDCELFPQQQ-KRWDZBQOSA-N 377.238 3.236 50 1 GGGF Cn1nncc1[C@@]1(CCl)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963198536 WDDPFAVKSBDLRH-PZJWPPBQSA-N 377.879 3.420 50 1 GGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCC[C@H]2Br)N1 963228682 IHMUPPHVSNUJMF-LZLYRXPVSA-N 375.266 3.367 50 1 GGGF COc1cccc(NC(=O)/C(C)=N/NC(=O)c2ccc(-n3cccc3)cc2)c1 1772647789 OSAVHSKGJOGZBY-HZHRSRAPSA-N 376.416 3.230 50 1 GGGF C/C(CC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)=N/NC(=O)CC#N 102943265 GWDWEJWVGHQIPQ-JJFYIABZSA-N 397.262 3.467 50 1 GGGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587495864 GNCPHZQKTXJYQH-PXNSSMCTSA-N 394.851 3.003 50 1 GGGF Cn1ncc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587328798 VPWZNQIMNITXSQ-HKUYNNGSSA-N 387.798 3.153 50 1 GGGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CSC#N)c1ccc(O)c(O)c1 963603239 BTWARHRQAQLIEY-FKIZINRSSA-N 386.473 3.107 50 1 GGGF COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1/N=C/CCn1nnc2ccccc21 66251560 IJBCQCJQWGWALM-CTBXHZBKSA-N 383.839 3.007 50 1 GGGF C[C@@H]1CC[C@H]2CC(=O)N(CCCCCC(=O)O)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43397091 MRAMJFZKEBTQTB-LMJNLGRISA-N 381.469 3.079 50 1 GGGF CC(=O)NCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587408641 CSPIAMLRCCWDAP-SFHVURJKSA-N 378.881 3.374 50 1 GGGF CC(C)CN(NC(=O)c1nccc2ccccc12)c1nc(C#N)ncc1Cl 58568897 HEFDCMDWZQEPFR-UHFFFAOYSA-N 380.839 3.357 50 1 GGGF Cc1cc2c(c(=O)o1)[C@H](c1c[nH]c3ccc(Br)cc13)C(C#N)=C(N)O2 103199332 OFSQYVOSFLPGHG-HNNXBMFYSA-N 398.216 3.410 50 1 GGGF C[C@H](Cl)C(=O)NC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324069 OUMDVKPLNSXIRI-PJFOTGOESA-N 391.826 3.392 50 1 GGGF CC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537848 KXHOSTBVUTYMGK-YOEHRIQHSA-N 377.190 3.077 50 1 GGGF CCCS(=O)(=O)Nc1n[nH]c2ccc([C@H]3C(C#N)=C(C)N=C(C)[C@H]3C#N)cc12 169694587 WRCJDQCOMLIFGQ-CRAIPNDOSA-N 396.476 3.210 50 1 GGGF CCc1ccc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 28356588 FDVAGHVCQISFMD-UHFFFAOYSA-N 379.290 3.322 50 1 GGGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@H]2C(=O)Nc4ccccc42)NC(=O)C(C#N)=C31 1857763257 CZPQVCFKYUKISP-YKSBVNFPSA-N 394.434 3.304 50 1 GGGF O=C(CCCN1C(=O)c2ccccc2N[C@H]1c1ccco1)N/N=C/c1ccco1 1772583650 ARVRBMRIDIWTLJ-YRXLECQKSA-N 392.415 3.370 50 1 GGGF COC(=O)C[C@@H](C)O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911583883 JGJKXYPSEXJMRR-SZXLUNCZSA-N 384.469 3.163 50 1 GGGF CCc1ccc(C2OOC(c3ccc(COS(C)(=O)=O)cc3)OO2)cc1 72173614 URIKBTOPBYYUQM-UHFFFAOYSA-N 380.418 3.333 50 1 GGGF COc1cc2c3c(c1)O[C@@](c1ccc(CNC(C)=O)o1)([C@H](C)Cl)[C@@H](C2)C3=O 587417028 IKYGVYRJUPIJQZ-RJVYXSBYSA-N 389.835 3.195 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)C=O)N1 587671321 QUYZXZWZNONIGA-XBURVNOZSA-N 379.067 3.300 50 1 GGGF CN(C)CCSSCCNC(=O)Nc1nc(-c2ccccn2)cs1 621476358 HDJCWWGEWCUJBY-UHFFFAOYSA-N 383.568 3.270 50 1 GGGF C=C[C@@]1(C)[C@H](N=C)[C@@]2(O)C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl 2356436401 KUYNYZIXDYKMEA-HGJSKEMYSA-N 388.895 3.349 50 1 GGGF O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 6997154 UOLMQYGIGJDZTP-UDWIEESQSA-N 379.328 3.171 50 3 GGGF Cc1ccc(Br)cc1C(=O)NCCSSCCN(C)C 618008878 NDUPLBWYDCPBNY-UHFFFAOYSA-N 377.373 3.430 50 1 GGGF O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)c1ccccc1F 102358782 XEWQOFBJAYTGRP-VCKYCXPWSA-N 395.272 3.321 50 1 GGGF COc1cc(O)cc([C@@H]2OC[C@H](Cc3ccc(O)c(OC)c3)[C@]2(O)CCl)c1 2356454641 RSQWBTHNAPSICH-PNHOKKKMSA-N 394.851 3.015 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/[C@@H]1CCCN1C(=O)OC(C)(C)C 95808707 DZGSOQAAEOSCDY-AUQXIXNCSA-N 383.489 3.002 50 1 GGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558210 VIJNVPWMUXOITN-MRAWALMUSA-N 398.745 3.138 50 1 GGGF C=C1[C@H](C)C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@H](O)[C@H]12 2356725933 OKDTYBVVAITUOQ-LCKJEQTQSA-N 394.467 3.145 50 1 GGGF Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=N)c1cnccn1 5394227 QYRGRUQZJHZIFZ-FOKLQQMPSA-N 379.295 3.018 50 3 GGGF CCc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 473171623 SYNLFAMNTKYMBN-UHFFFAOYSA-N 382.869 3.377 50 1 GGGF N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CCCCC2)cc1 38626104 HGXUEISOXOJSKC-QFIPXVFZSA-N 391.471 3.475 50 1 GGGF CC(=O)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673779 PWXHCUYEBUPQHW-UHLUBPPHSA-N 379.067 3.302 50 1 GGGF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=C[C@H](O)[C@@H]12 139779778 RJMZKVMAXFDSJD-UPCCYMMLSA-N 396.483 3.369 50 1 GGGF CC(=O)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673780 PWXHCUYEBUPQHW-WPPNPWJKSA-N 379.067 3.302 50 1 GGGF CC[C@H](/C(=N/NC(=O)C[N+](C)(C)C)c1ccccc1)[C@@H]1OC(=O)c2ccccc21 17211329 TUVYXWKSYRJPOW-NHSPGLHOSA-O 394.495 3.151 50 1 GGGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4cc[n+](C)cc4)[C@]13OO2 100036632 JWGDASXBGJIMGW-IFLJBQAJSA-N 378.489 3.034 50 1 GGGF C=C[C@]1(C)[C@H](N=C)[C@]2(O)C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl 238754846 KUYNYZIXDYKMEA-JBJCYXPGSA-N 388.895 3.349 50 1 GGGF COc1cc(OC)c2c(c1)C(=O)c1cc(CBr)cc(OC)c1C2=O 29342193 WSOXAKBJYCVUGM-UHFFFAOYSA-N 391.217 3.383 50 1 GGGF O=C(CCCC[C@@H]1CCSS1)N[C@@H](Cc1ccc(C(=O)O)cc1)C(=O)O 103229805 IMOHTISOHITKNO-CABCVRRESA-N 397.518 3.211 50 1 GGGF COc1ccc2c(CC(=O)NCCCSSCCN(C)C)c[nH]c2c1 618016861 BVBXAVGNOYLMIB-UHFFFAOYSA-N 381.567 3.168 50 1 GGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)c(O)c1 95809761 HYQXZXNAYAYBOH-HYARGMPZSA-N 399.447 3.233 50 1 GGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@@H]2[C@H]1c1cc2c(C)n[nH]c2cc1F 169703259 AALHLPVAYBUAFB-OLZOCXBDSA-N 378.285 3.415 50 1 GGGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(Cl)cc(-c2ccco2)c1 1857539844 MHNUREBSFDBCDM-UHFFFAOYSA-N 394.811 3.362 50 1 GGGF C[C@@H](OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)O[N+](=O)[O-] 299839855 TVOYSHYZECKYPC-ZDUSSCGKSA-N 393.267 3.391 50 1 GGGF COc1cc(O)cc([C@@H]2OC[C@@H](Cc3ccc(O)c(OC)c3)[C@@]2(O)CCl)c1 2356454642 RSQWBTHNAPSICH-UAOJZALGSA-N 394.851 3.015 50 1 GGGF COc1ccc(/C=N/OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 101546632 VUIWZTMXGGSYEL-UMAOCNJASA-N 378.388 3.423 50 1 GGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(C(=O)Cl)c1 587888513 LZPKTDZYBFTGHL-UHFFFAOYSA-N 381.646 3.478 50 1 GGGF C[C@H]1CN(C(=S)SSC(=S)N2C[C@H](C)O[C@H](C)C2)C[C@@H](C)O1 1772614832 SVFPEMWEQXLEKH-BKUVIOGVSA-N 380.626 3.156 50 1 GGGF CCCCCn1cc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346156 ZFCRNUFLQIDJCO-OEAKJJBVSA-N 392.463 3.206 50 1 GGGF C[C@@H]1CC[C@@H]2[C@@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169359857 LMWXYRNXGABKJN-RVQWYVLSSA-N 389.448 3.366 50 1 GGGF Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1/C=N/NC(=O)c1ccccc1 169320267 HPMKRENBRGUSGQ-RGVLZGJSSA-N 399.248 3.000 50 1 GGGF N#CC(=C\c1ccc(C(F)(F)F)cc1)/C=C1\SC(=S)N(CC(=O)O)C1=O 103229578 NMSSZQDATXILQS-ZIIBAIFASA-N 398.387 3.441 50 1 GGGF COC(C)(C)[C@H](Br)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586971696 WSYBXVVDELEWJP-OAHLLOKOSA-N 393.285 3.179 50 1 GGGF C[C@H](Cl)C(=O)NC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587687439 GTVJFMDTUIIJDA-CEFVDNRUSA-N 377.685 3.081 50 1 GGGF O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 1772651061 QCGXMBHLTLOZQG-VXLYETTFSA-N 375.768 3.173 50 1 GGGF COC(=O)C1=C(Cn2ccnc2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl 58568653 VKOYHMBQGJRYAN-QGZVFWFLSA-N 386.814 3.287 50 1 GGGF CCOc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 95581488 PZUITVNJLUHHRJ-JJIBRWJFSA-N 379.504 3.490 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCl)(c1ccc(Cl)cc1)O2 587371095 CWMPZDQGHCJHSZ-IBGZPJMESA-N 393.270 3.446 50 1 GGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cl)nc1 587887632 WETIRHRAXNQHOY-UHFFFAOYSA-N 381.646 3.478 50 1 GGGF COC(=O)[C@@H](C)CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43504112 ZNDFKLONMXLMAH-WMKIEZIESA-N 384.469 3.020 50 1 GGGF C[C@]1(c2ccc(N=C=O)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642911 RMXLRSLYGVAHRM-SJLPKXTDSA-N 392.333 3.415 50 1 GGGF COC(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323875 NGZURCLOJCVBMS-AYBZRNKSSA-N 378.783 3.429 50 1 GGGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCC(=O)NN 587859204 SMVMMOXWKLPCMZ-UHFFFAOYSA-N 399.278 3.446 50 1 GGGF CNNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1 35816136 HAEOFSMKTFWGTQ-UHFFFAOYSA-N 391.880 3.135 50 1 GGGF COc1cc2c3c(c1)O[C@](C)([C@@H](Cc1ccccc1)NC(=O)CCl)[C@@H](C2)C3=O 587418899 BPZFDCRUBSHJDR-CECAUBDESA-N 399.874 3.168 50 1 GGGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@]1([C@H]1C(=O)Nc2ccccc21)CC3 1857646286 KVOWLZQJANGHNM-NTKDMRAZSA-N 394.434 3.304 50 1 GGGF COC(=O)C[C@@H](C)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169338609 JGJKXYPSEXJMRR-ITRKVSLHSA-N 384.469 3.163 50 1 GGGF CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 299822606 DAEDKSNRFADDAP-QZNHQXDQSA-N 393.462 3.498 50 1 GGGF CC(C)CN(NC(=O)c1cc(-c2ccccc2)no1)c1nc(C#N)ncc1Cl 58592899 ZLCAQZUEJGWIJB-UHFFFAOYSA-N 396.838 3.464 50 1 GGGF CC(C)(Oc1ccc(-c2csc(NC(=O)CC(=O)Cl)n2)cc1)C(=O)O 102779300 SLIPVSAFWUUMNV-UHFFFAOYSA-N 382.825 3.146 50 1 GGGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(N4CCCCC4)cc3)[C@@H]2C1 71295576 DRIYZDDUTSVAQS-QZNHQXDQSA-N 396.535 3.169 50 1 GGGF Cc1nn(CCCl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587885182 BXCUQBIBWBJBFQ-UHFFFAOYSA-N 384.694 3.448 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)[C@H]2Br)N1 587684942 RNIWCUTUPMSABU-HGDANNRKSA-N 391.078 3.444 50 1 GGGF N[C@H](CCl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587012347 XNOHEZLQEZVXRG-GFCCVEGCSA-N 385.276 3.256 50 1 GGGF COC(=O)[C@H](C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911585088 ZNDFKLONMXLMAH-SZXLUNCZSA-N 384.469 3.020 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Cc1ccccc1)NC(=O)CCl)O2 587372885 NJTLHUTZYOWPBL-NQIIRXRSSA-N 386.879 3.267 50 1 GGGF COC(=O)C[C@@H](C)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169338612 JGJKXYPSEXJMRR-GBKDXVIUSA-N 384.469 3.163 50 1 GGGF CCN(CC)CCOC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103187426 NTIVLRRYBGZGAO-MZLRYNDKSA-N 383.529 3.349 50 1 GGGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)N=C2C=CC=CN2C(N)=C1C#N 82053306 NIGQEWAJJLBZHK-ZDUSSCGKSA-N 376.275 3.003 50 1 GGGF O=C(CCl)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 27193583 IMZATLSQZIYODY-IBGZPJMESA-N 398.890 3.072 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587420800 IZOCVRGHJZVOAO-WSHAHDTKSA-N 381.856 3.333 50 1 GGGF O=C(O)c1cc(F)c(N(CCBr)CCBr)c(F)c1 28472899 ABYICUIYVQTPDK-UHFFFAOYSA-N 387.018 3.259 50 1 GGGF Cc1cc(C)c2ccc(C(=O)NCCSSCCN(C)C)nc2c1O 618008886 NOFZHDJFWHOMFI-UHFFFAOYSA-N 379.551 3.230 50 1 GGGF COc1ccc(Oc2cccc(NCC(=O)N/N=C/c3ccncc3)c2)cc1 34893277 WBCDNYKVIHDVTM-ZVHZXABRSA-N 376.416 3.445 50 1 GGGF O=C1c2ccc(O)cc2O[C@@]2(C=C(CCl)OCC2=O)[C@H]1c1ccc(F)cc1 587325728 GWXDCLCQUUAESJ-AZUAARDMSA-N 388.778 3.351 50 1 GGGF C[C@@H](C[C@@H]1C(=O)N(C)C(=C[C@@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 2356474902 HPESIQPIRSOIDD-KHQFGBGNSA-N 390.138 3.439 50 1 GGGF CC1=C(CCCOC(=O)NCCCl)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 45262102 BHRXBJFIBZONES-IBGZPJMESA-N 379.884 3.419 50 1 GGGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1nc2ccccc2s1 1857545843 CURXYPJDOOLCBJ-BJMVGYQFSA-N 382.357 3.161 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Cc1ccccc1)NC(=O)CCl)O2 587372881 NJTLHUTZYOWPBL-GHTZIAJQSA-N 386.879 3.267 50 1 GGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911580755 YJVYWPNLOVDVBJ-MHGNSZAHSA-N 381.513 3.307 50 1 GGGF O=C1Cc2cc3c(c4c2CCN1[C@@]41c2ccccc2CC[C@H]1Cl)OCCO3 963271889 WQELRKHHOZASPF-XMSQKQJNSA-N 381.859 3.196 50 1 GGGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)cs1 28351502 TVKPMYWJGOVKJM-UHFFFAOYSA-N 385.681 3.413 50 1 GGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OCC)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238751655 WKHLFLBJNFQCAE-AZXVFKILSA-N 388.460 3.233 50 1 GGGF biogenic C[C@H](Cl)C(=O)NC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324067 OUMDVKPLNSXIRI-LFBSBKMHSA-N 391.826 3.392 50 1 GGGF CC[C@H](C)C(=O)C1=C(O)[C@@](O)(C(=O)/C=C/C(C)(C)OO)[C@H](CC=C(C)C)C1=O 1642676710 UFVOOGJDPDMPRH-IXPZEPGOSA-N 394.464 3.094 50 1 GGGF CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(C)cc1 45391700 PNBNTYSIOLVYHG-VUISEMPFSA-N 381.476 3.298 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(C(=O)O)cc2[nH]1 587009797 TXMJQTSZEKDXJV-KRWDZBQOSA-N 396.834 3.381 50 1 GGGF CCS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 586970699 DQBXMQBPLNJZHY-LBPRGKRZSA-N 375.288 3.218 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cl)C(=O)N(C)C)N1 587689866 XKSIOMMWDUYRSJ-AFEMSUNCSA-N 377.685 3.033 50 1 GGGF COCCOc1nc(-c2cccs2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751860 BSXMVSQRYNARHI-UHFFFAOYSA-N 392.868 3.198 50 1 GGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccccc2)no1)C(C)C 103210702 RDMYWZAKSDVRNT-ZZEZOPTASA-N 383.448 3.445 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Cc1ccccc1)NC(=O)CCl)O2 587372889 NJTLHUTZYOWPBL-WIYYLYMNSA-N 386.879 3.267 50 1 GGGF Cc1ccc(S(=O)(=O)[C@@H](Cl)[C@H]2N=C(Cl)NN=C2c2ccccc2)cc1 6003463 AAIPRLLMKGLEMW-JKSUJKDBSA-N 396.299 3.305 50 1 GGGF Cc1ccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)cc1 653871520 GTRZDZRAJKQNHF-DAFNUICNSA-N 384.439 3.476 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)NC(=O)CO3)([C@@H](C)Cl)O2 587371177 DRLHWXSCJQVSFO-BIBXISHDSA-N 386.835 3.396 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(CCN1C(=O)c3ccccc3C1=O)O2 587371964 IRXUOHFOONJSJX-OAQYLSRUSA-N 398.846 3.206 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cn(-c3ccc(F)cc3)nn1)O2 587385144 RMKGZCGLGJVASU-IBGZPJMESA-N 386.814 3.397 50 1 GGGF C=C(CCCC(C)=O)[C@@H]1C(=O)OCC(=CC=CC(C)(C)OO)[C@H]1CC(=O)OC 2356406689 DFLACMQIXGYYKQ-MJGOQNOKSA-N 394.464 3.405 50 1 GGGF CN1C(=O)C[C@H]2CN[C@](CCCCCl)(CC3OCCO3)c3cccc1c32 963016069 CFDHNQVYCDOPIO-VBKZILBWSA-N 378.900 3.107 50 1 GGGF [3H]/C(CCCC(=O)O)=C(\[3H])C[C@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 169307605 RJNDVCNWVBWHLY-MPGRZSMMSA-N 391.496 3.308 50 1 GGGF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356542311 XMWOVKVFIVCVPN-MXKPZRPRSA-N 392.492 3.289 50 1 GGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 34056750 UCSBXBMSRGBXJX-LJQANCHMSA-N 381.432 3.362 50 1 GGGF CC[C@@H](/C(=N/NC(=O)C[N+](C)(C)C)c1ccccc1)[C@H]1OC(=O)c2ccccc21 73351858 TUVYXWKSYRJPOW-FYPPZUASSA-O 394.495 3.151 50 1 GGGF O=C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\Nc1nccs1 587898179 DPSYXGUVTWDJJY-BENRWUELSA-N 394.283 3.307 50 1 GGGF COc1cc(C2=C(C#N)[C@H](N)OC3=C2COc2ccccc23)cc(OC)c1OC 31905182 XXIXKHXWHRNPMV-JOCHJYFZSA-N 392.411 3.108 50 1 GGGF Cc1nc(C)c([C@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962969455 FIPXOEVIUQCLGW-MEDUHNTESA-N 391.201 3.304 50 1 GGGF CC1(C)C[N@@]1P(=O)(NC(=O)OCc1ccc([N+](=O)[O-])cc1)[N@]1CC1(C)C 1857535886 PTSHRNFVXFCUOE-RTBURBONSA-N 382.357 3.118 50 1 GGGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2cc(F)ccc12)c1ccccc1 96271120 UBCHZGHLCIKIOP-NTEUORMPSA-N 377.375 3.435 50 1 GGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)CBr)N1 587673773 PVXQBVGZMRMBRL-CPFSXVBKSA-N 379.067 3.302 50 1 GGGF NNC(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587039076 BXWKATZCVMIVSF-UHFFFAOYSA-N 386.502 3.224 50 1 GGGF CCN(CC)c1nc(OC)nc(C(Br)Br)c1[N+](=O)[O-] 27866828 UMFPUFOYKKDEST-UHFFFAOYSA-N 398.055 3.028 50 1 GGGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3ccccc3n2)CC1 49762068 OCSRDWUUZPIFLH-UHFFFAOYSA-N 392.415 3.460 50 1 GGGF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@H](C)Br)CC2=O 587453674 RULHEKKNRWOZSU-BTDLBPIBSA-N 385.254 3.395 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)C=O)N1 587669884 GOJSIEIIJCFUNP-RDZIJCNDSA-N 379.067 3.300 50 1 GGGF COC(=O)C1=CC[C@H]2[C@](C)([C@@H](O)C[C@@H](Cl)[C@@]2(C)CC=CC(C)(C)O)[C@@H]1C=O 2356465244 LDXUQWSFYSAZTE-CGYPGZLNSA-N 398.927 3.023 50 1 GGGF CCOC1=C/C(=C/NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C=CC1=O 13119034 VIVKMQUUGSOADW-DTQAZKPQSA-N 395.434 3.411 50 3 GGGF COc1nccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009543 KOYPPASEOCLQLO-HNNXBMFYSA-N 383.839 3.087 50 1 GGGF COc1cc(N(CCC#N)CCC#N)ccc1/C=N\NC(=O)c1ccc(C)cc1 31904878 VLCFCKBWQRVPES-XYGWBWBKSA-N 389.459 3.401 50 1 GGGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F 42963094 GWTHVRIYKZBBPY-UHFFFAOYSA-N 377.224 3.457 50 1 GGGF CN(C)/C=C(\C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543818 LRCKSTCDCMRTPW-GUAGJFOLSA-N 384.819 3.300 50 1 GGGF Cc1cc2c(cc1F)[C@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)NCC2 962089698 HPYYTBIRTXAUMG-GOEBONIOSA-N 378.797 3.267 50 1 GGGF Cc1ccc2c([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc(=O)oc2c1 1857629774 BDZSICFYMDQQBW-LJQANCHMSA-N 398.374 3.426 50 1 GGGF COc1cccc(COc2cccc(/C=N/NC(=O)c3ccc(O)c(O)c3)c2)c1 653909246 KHDATJWFNSDARL-YDZHTSKRSA-N 392.411 3.449 50 1 GGGF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C 2356542313 XMWOVKVFIVCVPN-YSNWRPKNSA-N 392.492 3.289 50 1 GGGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587406978 GMYFMGGNASLSFR-IBGZPJMESA-N 393.892 3.302 50 1 GGGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)o1 587370539 ABAGSQZOINZHFE-JEOXALJRSA-N 376.840 3.294 50 1 GGGF Cc1nn(CCCCl)c(C)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963238389 YSADAMTZYBJGRT-AZUAARDMSA-N 398.894 3.365 50 1 GGGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cnn(C)c1 963269520 KJXYTQMZHBCLPO-HNNXBMFYSA-N 399.130 3.309 50 1 GGGF COc1cc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)ccc1OC(C)C 1772641491 LSQWEWGKTJZRME-HZHRSRAPSA-N 399.491 3.187 50 1 GGGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@@]1(O)C=C[C@](C)(COC(C)=O)OO1 166781730 UMAFMVJKBJNJKP-XZNYGTFNSA-N 392.492 3.445 50 1 GGGF C[C@H](Cl)C(=O)NC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587687445 GTVJFMDTUIIJDA-OLBFVZFUSA-N 377.685 3.081 50 1 GGGF C[C@]1(CC(=O)NCc2ccc(N3CCOCC3)cc2)CC2(CCCCC2)OO1 49722712 SEXWHEGZWUEBDD-NRFANRHFSA-N 388.508 3.343 50 1 GGGF COc1ccc2c(c1)OC=C(C=O)[C@]21c2cc(OC)c(OC)cc2C[C@H](C)N1C 962640236 ZGYFPFJOTYTXHW-LFVRLGFBSA-N 395.455 3.308 50 1 GGGF O=C(N/N=C/c1ccc(Br)cc1)c1snnc1C(F)(F)F 103183161 YPYYKSKCEUXLMA-FZSIALSZSA-N 379.161 3.083 50 1 GGGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1OC 100086799 RQBWHWAIQCALRJ-ONZPZFSWSA-N 399.472 3.179 50 1 GGGF CN(C)CCSSCCNC(=O)COc1ccc(Cl)c(Cl)c1 618008225 CBLYRAUZJNKRDM-UHFFFAOYSA-N 383.366 3.431 50 1 GGGF Cc1ccc(N/N=C2/C=CC(=O)C(/C=N\NC(=O)c3ccc(N)cc3)=C2)cc1C 15974621 AKDGQWQBRMPFBQ-JVRKNBDWSA-N 387.443 3.135 50 3 GGGF COC(=O)C1=C(Cn2cccn2)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl 58582624 DSSRNDXICGBGMR-KRWDZBQOSA-N 386.814 3.287 50 1 GGGF Cc1nc(N2NC(c3ccccc3)=C[C@@H]2c2ccccc2)sc1C(=O)NN 958043836 LJHLTORFQLNPBW-QGZVFWFLSA-N 377.473 3.162 50 1 GGGF O=C(COc1ccccc1)NNC(=S)NCc1ccc(-c2ccccc2)cc1 96285283 IZAIVBWEHZDHFE-UHFFFAOYSA-N 391.496 3.428 50 1 GGGF COc1ccccc1CNC(=O)C(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147509244 SKLJKROPSWQKTM-MKMNVTDBSA-N 398.484 3.100 50 1 GGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(OC)c1OC 38626042 RDCFTPNPKAMYTM-LJQANCHMSA-N 391.427 3.422 50 1 GGGF COc1ccc2c(c1)N(Cc1ccccc1)C(=O)/C2=N\NC(=O)c1ccccc1 40956264 BNGUSQDKBOTFAQ-FLFQWRMESA-N 385.423 3.376 50 1 GGGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnc(O)[nH]2)[C@@H]1c1ccc(F)cc1 587327278 OQJZYJWAKURLOU-APWZRJJASA-N 388.782 3.453 50 1 GGGF O=C(CBr)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 28897024 ZULPVLJMGLAURI-UHFFFAOYSA-N 397.228 3.271 50 1 GGGF COc1ccc2[nH]c(S(=O)(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1 5493727 ISMNEULRVCNSIM-GFCCVEGCSA-N 391.880 3.290 50 1 GGGF COc1cc(NC(=O)c2cccc(NC(=O)[C@@H](C)Br)c2)ccc1O 28954550 UQVRKFMSQWCBAV-SNVBAGLBSA-N 393.237 3.375 50 1 GGGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cnn(C)c1 963269525 KJXYTQMZHBCLPO-OAHLLOKOSA-N 399.130 3.309 50 1 GGGF COc1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1B(O)O 299861235 HXXVVJJBMNRHFY-WUXMJOGZSA-N 376.192 3.077 50 1 GGGF O=C1Cc2cc3c(c4c2CCN1[C@@]41c2ccccc2CC[C@@H]1Cl)OCCO3 963271888 WQELRKHHOZASPF-PGRDOPGGSA-N 381.859 3.196 50 1 GGGF CCOc1cc(C(=O)N/N=C\c2cn(CC)nc2C)cc(OCC)c1OCC 13108711 CSWZGAHLPDZNMF-MTJSOVHGSA-N 388.468 3.171 50 3 GGGF C/C(=N\NC(=O)CNc1cccc(C(=O)Nc2ccccc2)c1)c1ccncc1 34893276 BXMIHYGPXLIJBT-WGOQTCKBSA-N 387.443 3.286 50 1 GGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@H]2[C@H]1c1cc2c(C)n[nH]c2cc1F 169703260 AALHLPVAYBUAFB-CHWSQXEVSA-N 378.285 3.415 50 1 GGGF COc1cccc(/C=N/NC(=O)c2oc3nc(C(F)(F)F)ccc3c2N)c1 653716030 VSMQRYOTSVWMSA-GZIVZEMBSA-N 378.310 3.201 50 1 GGGF O=C(NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1 1857646131 MYWHHUOFIYSSJU-UHFFFAOYSA-N 392.362 3.299 50 1 GGGF O=c1c2cc([N+](=O)[O-])ccc2n(CCBr)n1Cc1ccccc1 653719939 XSRKUZZNWWQNEZ-UHFFFAOYSA-N 376.210 3.154 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1Br 95808714 LEZLTZYDHBWNEL-WOJGMQOQSA-N 385.258 3.118 50 1 GGGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3ncc[nH]3)CC[C@@H]12 71296926 BBGUDAHTVXKNSF-GKVQRAMASA-N 396.450 3.182 50 1 GGGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(NC(=O)[C@H](C)N)c2)ccc1OC 3987145 HQKLMNBLQVGJKB-FBJMNJBLSA-N 395.459 3.343 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)ccc21 586906260 AEPCIQFFMMKQJX-UHFFFAOYSA-N 378.569 3.351 50 1 GGGF CN(C)CCSSCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 618008119 YYWOHDOXDGYOCM-UHFFFAOYSA-N 388.002 3.322 50 1 GGGF COc1ccc(/C=C(\C#N)[S@@](=O)c2cc(OC)c(OC)c(OC)c2)cc1O 1857649145 SWNACQKZRSSFCB-QSVQOIOGSA-N 389.429 3.099 50 1 GGGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 44031737 QQTFYANRDKCCPR-MJUUVYJYSA-N 388.485 3.237 50 1 GGGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1F 1772570009 FGHNFTSXXVGPKX-QGZVFWFLSA-N 376.391 3.453 50 1 GGGF C[C@H](C=C1C(=O)N(C)[C@@H](C[C@@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 2356474903 HPESIQPIRSOIDD-MRTMQBJTSA-N 390.138 3.439 50 1 GGGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(NC(=O)[C@H](C)N)c2)ccc1OC 66032588 HQKLMNBLQVGJKB-XGHPXPSOSA-N 395.459 3.343 50 1 GGGF O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1 299859027 HFGKSQYLDMCCFA-PCLIKHOPSA-N 396.450 3.138 50 1 GGGF CC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537847 KXHOSTBVUTYMGK-WMLDXEAASA-N 377.190 3.077 50 1 GGGF O=C(CCCN1C(=O)c2ccccc2N[C@@H]1c1ccco1)N/N=C/c1ccco1 1772583649 ARVRBMRIDIWTLJ-ISXGRJCASA-N 392.415 3.370 50 1 GGGF NC(=O)N1c2ccccc2C[C@H](OC(=O)CBr)c2ccccc21 26577022 LHAPRAFWFMIZBS-HNNXBMFYSA-N 375.222 3.439 50 1 GGGF CC(C)(C(=O)NCc1cccc(F)c1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147510495 LFGFUGIDIKHXAO-UUILKARUSA-N 386.448 3.231 50 1 GGGF CCO/C(C)=C(\C#N)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923976 VWSACNCCRSIJOU-NTCAYCPXSA-N 377.491 3.497 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)C=O)N1 587669883 GOJSIEIIJCFUNP-KEMBBXRSSA-N 379.067 3.300 50 1 GGGF Cn1cccc1[C@@]1(CCl)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643807 WBUWLLUZKZWCBW-MEDUHNTESA-N 388.773 3.005 50 1 GGGF CCCN1/C(=C(/C#N)C2=NS(=O)(=O)c3ccccc32)N(C)c2ccccc21 12512264 OOKFAWNVBYKFTE-HKWRFOASSA-N 378.457 3.280 50 3 GGGF CCCNNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(C)CC3)cc1 1857618975 ADOZDZDEVMURQN-UHFFFAOYSA-N 376.504 3.322 50 1 GGGF C[C@]1([C@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@H]1[C@@]2(C)C[C@@H](O)[C@@H]2C[C@@]21C 238782435 YATDYZPKJKQYDK-GSRPGGJFSA-N 399.369 3.263 50 1 GGGF COc1ccc(C2(c3nc4ccc(C(=O)NN)cc4[nH]3)CC3(CCC3)C2)cc1 587936179 SQRQQYDCWHZZMN-UHFFFAOYSA-N 376.460 3.425 50 1 GGGF COc1cccc(OC)c1/C=N/N(C(=O)c1ccccc1)C(=O)c1ccncc1 103171277 QXSUBFOMPNUSES-BUVRLJJBSA-N 389.411 3.416 50 1 GGGF CC(C)CN(NC(=O)c1nc2ccccc2s1)c1nc(C#N)ncc1Cl 58592383 GSAKPSGXIMMMNW-UHFFFAOYSA-N 386.868 3.419 50 1 GGGF C=C1[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@H]1[C@@H](O)C=C(C=O)[C@@H]2C=O 38238993 OKDTYBVVAITUOQ-HNESARCWSA-N 394.467 3.145 50 1 GGGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1cccs1 98085056 XPQHNEWAQKGVGL-YBFXNURJSA-N 394.485 3.119 50 1 GGGF Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2O)cc1C 8686916 FAQJTRUUKPGTMN-SRZZPIQSSA-N 393.403 3.175 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccc(F)cc2F)cc1 473144271 AMPYOVUBNZMSIY-UHFFFAOYSA-N 390.795 3.093 50 1 GGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2c(c1)CCO2 95808895 ZRDMPTBIYDKDBT-HZHRSRAPSA-N 395.459 3.366 50 1 GGGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 253639757 QQTFYANRDKCCPR-NRDMVMEKSA-N 388.485 3.237 50 1 GGGF COC(=O)c1nc2c(O)cc3c(c2o1)[C@@H](CCl)CN3C(=O)OC(C)(C)C 49052451 SEUZPAMIBHJSSA-QMMMGPOBSA-N 382.800 3.398 50 1 GGGF COc1ccc([C@H]2C(=O)[C@@H](c3c[nH]c4ccccc34)NN2C(=O)CCl)cc1 169688313 YUXRMQWZFVLLAB-MOPGFXCFSA-N 383.835 3.114 50 1 GGGF CN(C)CCSSCCNC(=O)COc1cccc(Cl)c1Cl 618009418 XSOFZJLVZJZOOK-UHFFFAOYSA-N 383.366 3.431 50 1 GGGF O=C1Cc2cc3c(c4c2CCN1[C@]41c2ccccc2CC[C@H]1Cl)OCCO3 963271887 WQELRKHHOZASPF-GCJKJVERSA-N 381.859 3.196 50 1 GGGF O=C(N/N=C\c1ccccc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 473172552 XKWARIZILAFAMB-QAEYNFOBSA-N 397.434 3.044 50 1 GGGF CC(=O)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587671808 BEUYOSMMTQMEKU-CPFSXVBKSA-N 379.067 3.302 50 1 GGGF COc1ccc(Cl)cc1C#C/C(C=O)=C\Nc1cnc(Br)cn1 587912925 BKFIZYAFGXGJIN-YRNVUSSQSA-N 392.640 3.448 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(N)=O)oc1C)CC2=O 587462254 WSGOWQIQFMYDIV-IBGZPJMESA-N 377.824 3.445 50 1 GGGF CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 17267829 QFZZTIUQKCHEHB-UHFFFAOYSA-N 395.371 3.328 50 1 GGGF COc1ccc(Cl)cc1C#Cc1c(Br)csc1C(=O)NN 587918625 AYWHTBKOWJJWAX-UHFFFAOYSA-N 385.670 3.176 50 1 GGGF BrCCCCc1nc2cc(I)cnc2[nH]1 586972602 XOPBZYDBSVSPDT-UHFFFAOYSA-N 380.027 3.280 50 1 GGGF Cc1nc(N2NC(c3cccs3)=C[C@@H]2c2cccs2)sc1C(=O)NN 958043840 PTNMLJOENGQYDR-LLVKDONJSA-N 389.531 3.285 50 1 GGGF CCNc1cc2c(cc1C)[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 38153968 GFALHXNTFVBTEC-IBGZPJMESA-N 379.416 3.382 50 1 GGGF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586994840 AKAGXMUWANHUJO-UHFFFAOYSA-N 389.253 3.243 50 1 GGGF CCOCCNc1ncnc2c1cnn2C[C@H](Br)c1ccccc1 13682951 JWVFPCCIPDXDDR-HNNXBMFYSA-N 390.285 3.411 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cn(-c3ccc(F)cc3)nn1)O2 587385145 RMKGZCGLGJVASU-LJQANCHMSA-N 386.814 3.397 50 1 GGGF O=[N+]([O-])c1ccc([C@@H]2CCN[P@](=O)(N(CCCl)CCCl)N2)cc1 43524424 VNDOXBRBPLSQCB-ZAMGYDSWSA-N 381.200 3.107 50 1 GGGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)NC(=O)CO4)([C@H](C)Cl)[C@@H](C2)C3=O 587417507 NGWNMTDAMJOLBX-ZFDMUXSDSA-N 399.830 3.296 50 1 GGGF N#Cc1c(CCl)c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)n2ccccc12 962917046 YSJHCCWOIFGENP-FUHWJXTLSA-N 383.810 3.377 50 1 GGGF Cc1cccc2c3c([nH]c12)C1=C(C#N)C(=O)N[C@@]1([C@H]1C(=O)Nc2ccccc21)CC3 1857646285 KVOWLZQJANGHNM-DVECYGJZSA-N 394.434 3.304 50 1 GGGF Cc1nc(-c2ccccc2F)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653899366 HVEWJLSFHXHYPZ-QQTULTPQSA-N 388.402 3.307 50 1 GGGF Cn1nncc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326359 LFJNZQPOQVYCAT-IEBWSBKVSA-N 387.798 3.153 50 1 GGGF CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C(/C#N)C(N)=O)cc3)nc12 148948187 RPBXLJQRICEDDS-JYRVWZFOSA-N 388.431 3.323 50 1 GGGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)NCCc2ccc(F)c(C)c21 962294292 BLUUYHZFLXBRTB-LJQANCHMSA-N 383.536 3.294 50 1 GGGF C/C(=N\NC(=O)C1=CC(=C2C=CC(=O)C=C2)Nc2ccccc21)c1cccnc1 59193452 IPLKTFYHPOMNAI-CVKSISIWSA-N 382.423 3.380 50 3 GGGF Cc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2cc(O)ccc12 96929690 IQUWBCBVVXDBFJ-YDZHTSKRSA-N 388.427 3.450 50 1 GGGF O=[N+]([O-])c1cncn1CCN(CCBr)Cc1cccc(Cl)c1 96926838 PGYOYJLDELJAMG-UHFFFAOYSA-N 387.665 3.342 50 1 GGGF O=C1Cc2cc3c(c4c2CCN1[C@]41c2ccccc2CC[C@@H]1Cl)OCCO3 963271886 WQELRKHHOZASPF-AVRDEDQJSA-N 381.859 3.196 50 1 GGGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cncnc1)CC2=O 587455562 CULZWOLZNIMJQJ-QGZVFWFLSA-N 377.238 3.390 50 1 GGGF O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(O)c(O)c(O)c1 6339569 ADOQXHGHVDFPHA-WSDLNYQXSA-N 378.384 3.146 50 1 GGGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@]1(O)C=C[C@](C)(COC(C)=O)OO1 166781838 UMAFMVJKBJNJKP-ZXYIWLIBSA-N 392.492 3.445 50 1 GGGF Cc1cn(CCC(=O)N/N=C/c2ccc3c(c2)OCCN3C)c2ccccc12 115597811 NBLXZBFFKIFXNQ-OEAKJJBVSA-N 376.460 3.319 50 1 GGGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cnc(O)[nH]2)[C@H]1c1ccc(F)cc1 587327280 OQJZYJWAKURLOU-QFBILLFUSA-N 388.782 3.453 50 1 GGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2nc(Cl)c[nH]c-2n1 587009506 IWJJSMQYLVVXKX-LBPRGKRZSA-N 389.246 3.078 50 1 GGGF CCOC(=O)[C@@H](Cl)[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587495871 GNCPHZQKTXJYQH-YLJYHZDGSA-N 394.851 3.003 50 1 GGGF COc1ccc(C(=O)Nc2ccc(/C(C)=N\NC(=O)c3ccncc3)cc2)cc1 5620754 NEQNWYSPLFAEHL-MYYYXRDXSA-N 388.427 3.497 50 1 GGGF O=C(CBr)NCCc1nc2cc(Br)cc(Cl)c2[nH]1 586970984 JNVQZEXHUGZPGC-UHFFFAOYSA-N 395.482 3.032 50 1 GGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(O)c(NC(C)=O)c1)[C@@H](C2)C3=O 587419747 ZGUOMGQHVBHVNS-VBKZILBWSA-N 387.819 3.241 50 1 GGGF CC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537846 KXHOSTBVUTYMGK-RHSMWYFYSA-N 377.190 3.077 50 1 GGGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CCl)(c2cscn2)N1 962645202 VQZWRVIXVZPBIJ-YMTOWFKASA-N 392.786 3.123 50 1 GGGF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13O[C@H]1[C@@]1(C(C)(C)OO)O[C@H]1C[C@H]23 95913661 AVZHENHAPQQKBK-QUUCMBOHSA-N 380.481 3.329 50 1 GGGF biogenic,in-vitro O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@](CCl)(c2cscn2)N1 962645201 VQZWRVIXVZPBIJ-XPTSAGLGSA-N 392.786 3.123 50 1 GGGF COc1cc2c(cc1OC)[C@](C)([C@@H](NC(=O)CCl)C(C)C)N(C)[C@@H](C)C2 962632460 RRUAGWZQFQOPGX-QTJFZDIUSA-N 382.932 3.175 50 1 GGGF Cc1nc(C)c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962969453 FIPXOEVIUQCLGW-BZNIZROVSA-N 391.201 3.304 50 1 GGGF C[C@@]12Oc3ccccc3[C@H](O)[N@@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857615063 OUFZTPSBAIMOHM-MLCQCVOFSA-N 377.380 3.442 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1nonc1C)CC2=O 587457188 VVXOZKBAWBJBSK-INIZCTEOSA-N 381.226 3.292 50 1 GGGF COc1cc2c(cc1OC)[C@@]1(C(C=O)=COc3cccc(OC)c31)N(C)[C@@H](C)C2 962567989 KPTBPNICQBMTRI-LFVRLGFBSA-N 395.455 3.308 50 1 GGGF OB(O)c1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc(C(F)(F)F)c1 962672187 WBLZQPMOJPRYET-OAQYLSRUSA-N 397.205 3.287 50 1 GGGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587371242 FDAYAHWRVWEMRI-XLWVJDPXSA-N 396.281 3.408 50 1 GGGF C/C(Cc1ccccc1)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 13137015 PZIBGEPFMJMDQO-UUYOSTAYSA-N 378.259 3.458 50 1 GGGF CC1(C)C[N@@]1P(=O)(NC(=O)OCc1ccccc1[N+](=O)[O-])[N@]1CC1(C)C 1857535772 LSFSZBLLDIFDHS-RTBURBONSA-N 382.357 3.118 50 1 GGGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 253639749 QQTFYANRDKCCPR-KCLUMXDGSA-N 388.485 3.237 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(O)c(NC(C)=O)c1)[C@@H](C2)C3=O 587419748 ZGUOMGQHVBHVNS-XOBRGWDASA-N 387.819 3.241 50 1 GGGF C[C@@]1(c2ccc(N=C=O)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642914 RMXLRSLYGVAHRM-WMZOPIPTSA-N 392.333 3.415 50 1 GGGF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C 2356542312 XMWOVKVFIVCVPN-RQIDZSJNSA-N 392.492 3.289 50 1 GGGF O=C(CCNCCSSCCNCCC(=O)c1ccco1)c1ccco1 66258550 NFQGWDOEHLGWIU-UHFFFAOYSA-N 396.534 3.279 50 1 GGGF CCOC(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543881 MGVRPWIUNLZYHY-UCLAIMLFSA-N 376.792 3.283 50 1 GGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CSC#N)c1ccc(O)c(O)c1 963603244 BTWARHRQAQLIEY-YUNKPMOVSA-N 386.473 3.107 50 1 GGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(OC)c1OC 34339152 COTBKSMMGHHTBB-KRWDZBQOSA-N 377.400 3.412 50 1 GGGF CN(C)CCSSCCNC(=O)Cc1ccc(Br)cc1 618008639 IXLWYHJVEFDWRB-UHFFFAOYSA-N 377.373 3.051 50 1 GGGF COC1=CC(=CNNC(=O)c2cc3c(ccc4ccccc43)o2)C=C(OC)C1=O 15885171 BTPAEQZCOVGBKQ-UHFFFAOYSA-N 390.395 3.348 50 3 GGGF O=C(C(Br)=CBr)C(Br)Br 2356554120 QDMHHSIUMQQFCZ-UHFFFAOYSA-N 385.675 3.303 50 1 GGGF COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587420282 HMQCJCXOCSEMGG-XCLFUZPHSA-N 389.835 3.308 50 1 GGGF COc1ccc(/C=N/NC(=O)COc2cc(C)nc3ccccc23)cc1OC 72107635 NADQEGCBYUHYLH-WSDLNYQXSA-N 379.416 3.090 50 1 GGGF COc1ccnc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587372587 JVIHPDCELFPQQQ-QGZVFWFLSA-N 377.238 3.236 50 1 GGGF O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1cc(O)c(O)c(O)c1 653907627 QLWWGGJJIOTRHB-FOKLQQMPSA-N 396.374 3.285 50 1 GGGF CC(=O)OC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327723 RBJHRBWIPIVYLZ-PKOBYXMFSA-N 378.783 3.431 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1 473146811 DJZQNSFYGSYZPF-UHFFFAOYSA-N 390.795 3.093 50 1 GGGF Cc1nc(N2NC(c3cccs3)=C[C@H]2c2cccs2)sc1C(=O)NN 958043841 PTNMLJOENGQYDR-NSHDSACASA-N 389.531 3.285 50 1 GGGF COc1cccc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962916954 XWPDHMQCOVEUDI-WMZOPIPTSA-N 394.240 3.072 50 1 GGGF C[C@]12CC(=O)[C@]34C(=O)O[C@H](c5ccoc5)[C@@H]3[C@@]4(C)[C@@H]1CC[C@@H](Cl)[C@]2(C)O 2356598147 GKJCLJMYPDMELI-ZCHCVINCSA-N 378.852 3.248 50 1 GGGF CN(C)CCSSCCN(C)C(=O)Cc1ccc(Br)cc1 618009811 KEWMVUQPHGCCBF-UHFFFAOYSA-N 391.400 3.393 50 1 GGGF CC[C@@]1(CNC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325951 IKTPHSJXVZTTCJ-ICSRJNTNSA-N 391.826 3.394 50 1 GGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)c1ccccc1CC[C@H]2Br 962894039 HAWPOGDODRLEPC-YQVWRLOYSA-N 390.252 3.378 50 1 GGGF O=C1c2ccc(O)cc2O[C@](CBr)(C(=O)O)[C@@H]1c1ccc(F)cc1 587319860 DFHYAVXETSLKKN-PBHICJAKSA-N 395.180 3.109 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c(C(=O)N3CCCC3)c1)O2 587374217 VFUZXUCOSIMFAL-FQEVSTJZSA-N 387.867 3.241 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CNC(C)=O)cc1)[C@@H](C2)C3=O 587418191 SNOARSDCJYBNPF-UWJYYQICSA-N 385.847 3.213 50 1 GGGF Nc1ccc(SSCCNC(=O)/C(Cc2cc(F)cc(F)c2)=N\O)cc1 26495884 WVGSUVXFPAHNEJ-JWGURIENSA-N 397.472 3.476 50 1 GGGF COC(=O)Cc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452709 TWCRDQZLZXNIKF-BFUOFWGJSA-N 392.860 3.354 50 1 GGGF CC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537845 KXHOSTBVUTYMGK-PBHICJAKSA-N 377.190 3.077 50 1 GGGF O=C(O)c1coc([C@@]2(CCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727757 AQDVFNKLLIGKDM-LRDDRELGSA-N 387.741 3.106 50 1 GGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(CCBr)cc2)N1 962905047 OLXLXJGPXHDUQI-DLBZAZTESA-N 378.241 3.451 50 1 GGGF COc1ccc2c(c1)OC=C(C=O)[C@@]21c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962640234 ZGYFPFJOTYTXHW-FATZIPQQSA-N 395.455 3.308 50 1 GGGF CCOc1cc(/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1OC(F)F 587131041 UDGYYNAPKVXAHO-XBXARRHUSA-N 388.374 3.337 50 1 GGGF O=C(N/N=C\c1ccccn1)c1cc(-c2ccc(Br)s2)[nH]n1 15990398 UJHYFHCCJUBBOS-IUXPMGMMSA-N 376.239 3.060 50 1 GGGF COc1cccc(OCc2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)c1 587781341 UDELCOMSLVXIFR-UHFFFAOYSA-N 388.427 3.421 50 1 GGGF O=C1C=CC(Br)=C/C1=C/NNC(=O)c1cc2ccccc2cc1O 33836979 BNTVTEDLBOBUSF-RAXLEYEMSA-N 385.217 3.081 50 1 GGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccnc1Cl 95808897 ROELOSSTWAZSQW-LPYMAVHISA-N 388.855 3.480 50 1 GGGF [C-]#[N+][C@H]1C[C@H](OCC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 261097163 FPLDLPYGGFMVEZ-HYVNUMGLSA-N 398.442 3.068 50 1 GGGF O=C1OC(=O)c2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)ccc21 586908614 SJUSNMTWYAUDOJ-UHFFFAOYSA-N 387.145 3.001 50 1 GGGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(C(=O)NN)n1 587859587 FXGRZZXVVGTLDL-UHFFFAOYSA-N 392.246 3.243 50 1 GGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)Cc1cccc(O)c1 1857599358 HXUROWUZGTXHOX-SSDVNMTOSA-N 399.834 3.396 50 1 GGGF O=C(O)c1coc([C@]2(CCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727755 AQDVFNKLLIGKDM-BLLLJJGKSA-N 387.741 3.106 50 1 GGGF N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CCCC2)cc1 38934621 VSLYFUGBCWJBOI-NRFANRHFSA-N 377.444 3.085 50 1 GGGF O=CC1=COc2cc(F)ccc2[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962704853 DJWPZSCHOZPHHK-QFBILLFUSA-N 391.320 3.190 50 1 GGGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(F)cc1)[n+]1ccc(N(C)C)cc1 205848951 MBYMTFFFHIJRTK-UHFFFAOYSA-O 382.415 3.076 50 1 GGGF CC(C)CN(NC(=O)c1cnc2ccccc2c1)c1nc(C#N)ncc1Cl 58568907 DIHJDJSKHVVJTE-UHFFFAOYSA-N 380.839 3.357 50 1 GGGF O=C(N/N=C/c1ccccc1O)c1cc(Br)c(Br)[nH]1 149057896 VHMDLYVTLIKJOS-GIDUJCDVSA-N 387.031 3.009 50 1 GGGF COc1cc(C)cc([P@](=O)(OC)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1 653721981 ZKUWNARBOXDNCO-SANMLTNESA-N 392.779 3.113 50 1 GGGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206163 PFPRRXCQEZVGSC-GDBMZVCRSA-N 390.226 3.196 50 1 GGGF COC(=O)C1=CC[C@@H]2[C@](C)(CC=CC(C)(C)O)[C@H](Cl)C[C@H](O)[C@]2(C)[C@H]1C=O 2356465247 LDXUQWSFYSAZTE-YSAYAGFUSA-N 398.927 3.023 50 1 GGGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)NN)sc1Br 587918605 ARXUJJQTCYMRHU-UHFFFAOYSA-N 385.670 3.176 50 1 GGGF COC(=O)CCCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 95809805 FKEHWLXNBDIOCW-GZIVZEMBSA-N 380.313 3.346 50 1 GGGF CC(C)(C)[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)NSN1)c1ccccc1 2356705151 YAXRWTODTKUKRX-QGZVFWFLSA-N 379.489 3.276 50 1 GGGF CCOC(=O)NN(c1ccccc1)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O 13605180 LVRIGXGKVZETGN-RBUKOAKNSA-N 381.432 3.299 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O 587423853 WNHDNQNJQRRWRX-BTYIYWSLSA-N 383.831 3.462 50 1 GGGF COc1cc(OC)cc(-c2cn(CCCSSCCN(C)C)nn2)c1 618009727 HDYHLBIYSNBTOC-UHFFFAOYSA-N 382.555 3.295 50 1 GGGF CNNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 299868175 RCFXOLZGZAHYSC-DLBZAZTESA-N 389.286 3.329 50 1 GGGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1 42921300 ZDFDOTNQRGXZJB-UHFFFAOYSA-N 377.224 3.457 50 1 GGGF OB(O)c1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc(C(F)(F)F)c1 962672176 WBLZQPMOJPRYET-NRFANRHFSA-N 397.205 3.287 50 1 GGGF CC1=C(C#N)[C@@H](c2ccc(F)c(Br)c2)C2=C(CCS2(=O)=O)N1 40475121 MXZUOJQWGVKCJY-CQSZACIVSA-N 383.242 3.103 50 1 GGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CSC#N)c1ccc(O)c(O)c1 963603242 BTWARHRQAQLIEY-MPBGBICISA-N 386.473 3.107 50 1 GGGF NSOOc1ccc(-n2nc(C(N)=O)c3c2-c2ccccc2CS3)cc1 137745827 BHHBQBJDTDRJFL-UHFFFAOYSA-N 386.458 3.076 50 1 GGGF Cc1ccc(/C=C(\C#N)Cn2nnn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 98084838 BVFJNQYQFVZIQR-XNTDXEJSSA-N 385.349 3.363 50 1 GGGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(O)c1)[C@@H](C2)C3=O 587414035 RDJZFFNKRLJQNX-KBXCAEBGSA-N 375.218 3.439 50 1 GGGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2/N=C/CCn2nnc3ccccc32)cc1 66262781 BATFVIUUJZPEIA-ZLJAICEBSA-N 383.839 3.007 50 1 GGGF O=C(CCl)N(CCCCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 66139782 QAZVAQXROGTCIT-UHFFFAOYSA-N 395.765 3.015 50 1 GGGF COc1ccc([C@H]2C(=O)[C@H](c3c[nH]c4ccccc34)NN2C(=O)CCl)cc1 169688315 YUXRMQWZFVLLAB-OALUTQOASA-N 383.835 3.114 50 1 GGGF COC(=O)C1=C(C#N)N=C(C)/C(=C(\O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 618011672 PACPWXNEPUQIBI-URTGMZOISA-N 385.376 3.298 50 1 GGGF CC[C@]1([C@@H](Cl)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542647 HZFKVZLOHUCHAE-FNHZYXHNSA-N 376.792 3.283 50 1 GGGF COC1=CC(=CNNC(=O)c2ccc(-c3ccccc3)cc2)C=C(OC)C1=O 15880037 FRXUWAFFOUMHSZ-UHFFFAOYSA-N 376.412 3.115 50 3 GGGF CN(C)CCSSCCC(=O)NC1CCN(Cc2ccccc2)CC1 618007825 QZDBWBHBEYBWTE-UHFFFAOYSA-N 381.611 3.100 50 1 GGGF COc1ccc(/C=N/NC(=O)c2oc3nc(C(F)(F)F)ccc3c2N)cc1 653686930 SBVWHKVRPFXGIL-GZIVZEMBSA-N 378.310 3.201 50 1 GGGF COc1ccc(NS(=O)(=O)c2ccc3nc(CBr)[nH]c3c2)cc1 586972220 KEGLOXWOBQFWIS-UHFFFAOYSA-N 396.266 3.267 50 1 GGGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2COC(C)=O)ccc1O 2356595736 RATHWHQMVNHBER-UTKZUKDTSA-N 398.411 3.402 50 1 GGGF CC(C)=CC(=O)OC1CCC(C=C(C#N)C(C#N)=CC2=C[C@H](O)[C@H](O)CC2)CC1 2356841463 NIYKAVYJADRYQA-YMHUVUNGSA-N 396.487 3.397 50 1 GGGF O=C(CCl)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 27193588 IMZATLSQZIYODY-LJQANCHMSA-N 398.890 3.072 50 1 GGGF COc1ccc2c(c1)OC=C(C=O)[C@@]21NCCc2cnc3c(OC)cccc3c21 963053146 GSRPGBAJMMNZOW-HSZRJFAPSA-N 388.423 3.117 50 1 GGGF CCN(CC)CCOC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103187423 NTIVLRRYBGZGAO-FVVROYIQSA-N 383.529 3.349 50 1 GGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558211 VIJNVPWMUXOITN-QITLCBANSA-N 398.745 3.138 50 1 GGGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)Oc1cc(O)cc(O)c1 195177618 PJDGHJARYJDXOZ-WBTJFOAWSA-N 393.512 3.043 50 1 GGGF COc1ccc([C@@H]2C(=O)[C@@H](c3c[nH]c4ccccc34)NN2C(=O)CCl)cc1 169688312 YUXRMQWZFVLLAB-RTBURBONSA-N 383.835 3.114 50 1 GGGF CO[P@](=O)(c1cc(F)cc(F)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425543 JFFAJDXFBFYNPJ-RUZDIDTESA-N 384.706 3.074 50 1 GGGF CCOCCOC(=O)/C(C#N)=C(\NCc1coc(-c2ccccc2)n1)SC 103222154 FLIAVDZCKXNFPV-FBMGVBCBSA-N 387.461 3.109 50 1 GGGF CN(C)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324916 VNEPNKMSQNZIQJ-QRFRQXIXSA-N 391.826 3.345 50 1 GGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc2c1OCO2 38544577 OFFMORUYNAIENL-GOSISDBHSA-N 375.384 3.134 50 1 GGGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(C)cc1)[n+]1ccc(N(C)C)cc1 205848919 CJXBKAMIIWZXKW-UHFFFAOYSA-O 378.452 3.245 50 1 GGGF COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)CNC(=O)CCl 587901711 OJNVDYBWYAGABO-UHFFFAOYSA-N 376.239 3.286 50 1 GGGF COC(=O)C[C@H](C)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169371744 JGJKXYPSEXJMRR-FXPBCPQFSA-N 384.469 3.163 50 1 GGGF NC1(CNC(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 49679747 LDCLMGPEFNVESL-UHFFFAOYSA-N 390.524 3.001 50 1 GGGF N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)Nc3ccccc3)CCOCC2)cc1 147637065 PJBWPPLZAOTBDY-AYSLTRBKSA-N 396.468 3.184 50 1 GGGF CC(C)(Oc1ccc(Cl)cc1)C(=O)NN/C=C1\C=NN=C1c1ccccc1 15974540 YBSYNQZEXDEVJT-FYWRMAATSA-N 382.851 3.491 50 3 GGGF COC(=O)C[C@H](C)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 58608913 JGJKXYPSEXJMRR-GOGGVXEJSA-N 384.469 3.163 50 1 GGGF C[C@@](Br)(CCl)[C@H](O)C[C@@H](Cl)[C@](C)(O)/C=C/Br 238776683 BNEHRLDXDDBGIG-ZCFOMSGHSA-N 398.950 3.397 50 1 GGGF COC(=O)Cc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587411131 RHRYGWCSLDTCQH-SFHVURJKSA-N 379.865 3.454 50 1 GGGF C=C1C[C@H]2O[C@@H]([C@@H]3[C@H](C(C)C)C[C@H](O)C(=C)[C@H]23)[C@@](C)(OC(C)=O)CC[C@@H]1OO 2356802960 WPIMDQYZTVEQAM-CGJBRMOZSA-N 394.508 3.499 50 1 GGGF COc1ccc(C2=NN(C(=O)CBr)[C@@H](c3ccco3)C2)cc1OC 42989687 BRPHPUCMQQONHN-CYBMUJFWSA-N 393.237 3.369 50 1 GGGF CCc1cccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 473149183 ISLPJLFUKINHHS-UHFFFAOYSA-N 382.869 3.377 50 1 GGGF COC(=O)CC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543894 MKGRGUJFNXSMLM-APWZRJJASA-N 376.792 3.285 50 1 GGGF NC(=O)N1c2ccccc2C[C@@H](OC(=O)CBr)c2ccccc21 26577021 LHAPRAFWFMIZBS-OAHLLOKOSA-N 375.222 3.439 50 1 GGGF C[C@@]1(CC(=O)NCc2ccc(N3CCOCC3)cc2)CC2(CCCCC2)OO1 49722713 SEXWHEGZWUEBDD-OAQYLSRUSA-N 388.508 3.343 50 1 GGGF C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1 653867746 KCONDDZHSCVPCU-WJGLBBAVSA-N 390.332 3.196 50 1 GGGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 17457424 KFVMCJDMAAMQOS-JEFCNZTNSA-N 375.475 3.232 50 1 GGGF O=C(CBr)C(Br)=C(Br)Br 14721984 PXJZGMFNVRVRCI-UHFFFAOYSA-N 385.675 3.304 50 1 GGGF biogenic COc1cc2c3c(c1)O[C@](c1ccc4c(c1)NC(=O)CO4)([C@@H](C)Cl)[C@@H](C2)C3=O 587417506 NGWNMTDAMJOLBX-LHZHGFSSSA-N 399.830 3.296 50 1 GGGF C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(C)cc1 100086769 IRPXPAOMSNPQAY-GMQRBVGNSA-N 383.473 3.479 50 1 GGGF CCOC(=O)[C@@H](Cl)[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587495868 GNCPHZQKTXJYQH-XLIONFOSSA-N 394.851 3.003 50 1 GGGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 44031735 QQTFYANRDKCCPR-ZIBCJSCZSA-N 388.485 3.237 50 1 GGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cl)C(=O)N(C)C)N1 587689867 XKSIOMMWDUYRSJ-BCSUUIJWSA-N 377.685 3.033 50 1 GGGF C/C(CC(=O)Nc1cccc2c1CCCC2)=N/NC(=O)COc1ccccc1 13152155 LWRHNLMRDYPQSJ-JLPGSUDCSA-N 379.460 3.465 50 1 GGGF COc1cc(C2=C(C#N)[C@@H](N)OC3=C2COc2ccccc23)cc(OC)c1OC 31905181 XXIXKHXWHRNPMV-QFIPXVFZSA-N 392.411 3.108 50 1 GGGF CS(=O)(=O)N1C[C@@H](CCl)c2cc(C=O)c(OCc3ccccc3)cc21 27417255 ODSUFFRXNZGENP-OAHLLOKOSA-N 379.865 3.180 50 1 GGGF Cc1cc(C)cc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 473152177 SKAHWANTBCVJMT-UHFFFAOYSA-N 382.869 3.431 50 1 GGGF N[P@](=O)(OCc1c(F)cc([N+](=O)[O-])cc1F)N(CCCl)CCCl 64540299 XOVXVZDTUATFHL-QHCPKHFHSA-N 392.126 3.236 50 1 GGGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)c3ccsc3CCN2C(N)=O)s1 962720902 YJIFFGHITPKNJF-QGHHPUGFSA-N 397.953 3.253 50 1 GGGF C[C@H]1CC[C@H]2[C@@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169359860 LMWXYRNXGABKJN-KJQPVIFFSA-N 389.448 3.366 50 1 GGGF C[C@@H]1CC[C@@H]2[C@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253851870 LMWXYRNXGABKJN-FYSFAIERSA-N 389.448 3.366 50 1 GGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(OC)c1OC 38465810 OHHRKHWMCQDTRS-IBGZPJMESA-N 389.411 3.479 50 1 GGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cnccc32)cc(OC)c1OC 40587738 HXYIXKRPUAGFQE-IBGZPJMESA-N 389.411 3.479 50 1 GGGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 101044397 QQTFYANRDKCCPR-HZEGPAAWSA-N 388.485 3.237 50 1 GGGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@@H]2C(=O)Nc4ccccc42)NC(=O)C(C#N)=C31 1857763256 CZPQVCFKYUKISP-RDPSFJRHSA-N 394.434 3.304 50 1 GGGF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 3927529 DDBFYGAIHAZCOR-HGWCJMQYSA-N 385.464 3.382 50 1 GGGF COC(=O)CC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543895 MKGRGUJFNXSMLM-LPHOPBHVSA-N 376.792 3.285 50 1 GGGF O=C(N/N=C/c1ccc(F)cc1)c1cc(Br)c(Br)[nH]1 169702849 LHBRXBKPJDVELQ-OMCISZLKSA-N 389.022 3.443 50 1 GGGF O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 44181906 PLTUEPHESXGQJQ-AWEZNQCLSA-N 382.294 3.310 50 1 GGGF COc1cc2c(cc1OC)[C@]1(C(=C(C#N)C#N)C(=O)c3ccccc31)N(C)[C@H](C)C2 962645292 ZJGZUBOBEKUPME-JBEBIEQOSA-N 399.450 3.364 50 1 GGGF CN1CCC(NC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 169321456 CPFQIOOBIKJTGP-UHFFFAOYSA-N 392.540 3.372 50 1 GGGF COc1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2n1 587009974 YFPXAVAVKABMQA-HNNXBMFYSA-N 383.839 3.087 50 1 GGGF CN(C)c1ccc(/C=N\NC(=O)CCCCCNC(=O)c2ccccc2)cc1 33402555 KODSGWYGMDDZRS-ULJHMMPZSA-N 380.492 3.193 50 1 GGGF COc1ccc(Cl)cc1C#Cc1cnc(N/C=C(/Br)C=O)cn1 587912949 BZVOHDPBXDSBME-KPKJPENVSA-N 392.640 3.386 50 1 GGGF O=C(NN=C(c1ccccn1)c1ccccn1)c1cccc(Br)c1 28964377 MHYYJQNPVDIVKP-UHFFFAOYSA-N 381.233 3.422 50 1 GGGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427089 GSVDRYUVDHNZAZ-HCDOCMDOSA-N 378.403 3.446 50 1 GGGF O=C(N/N=C/c1ccccc1Br)c1ccc2c(c1)OCCCO2 1772655237 OCYHFZYBOAECMS-YBFXNURJSA-N 375.222 3.374 50 1 GGGF C=C1C(=O)O[C@H]2[C@H]1CCC(Cn1cc(CCCCl)nn1)=CCC[C@@]1(C)O[C@@H]21 1857654510 BMWBDUBJUMDVKF-CGBFIWBNSA-N 391.899 3.205 50 1 GGGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@H]2C(=O)Nc4ccccc42)NC(=O)C(C#N)=C31 1857763255 CZPQVCFKYUKISP-HYBUGGRVSA-N 394.434 3.304 50 1 GGGF O=C(O)c1cccc2c1CCN[C@@]2(CCl)c1ccc(N2CCCC2=O)cc1 963131279 NGWSRFHDTJUXEZ-NRFANRHFSA-N 384.863 3.140 50 1 GGGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccccc1 98085055 KJWVDJRBRPSZPA-FYJGNVAPSA-N 388.456 3.058 50 1 GGGF CCCN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@H]32)c2ccccc21 13116596 TVMAWGLOBOWAHG-MBSHLRGSSA-N 397.482 3.437 50 1 GGGF CC(=C[C@@H]1C[C@]2(C)OC3=C(C[C@H]2O1)C(=O)CC[C@H]3O)CC=CC(C)(C)OO 2356334995 RIJUSTJSMDNKKJ-UTQVJTIVSA-N 378.465 3.462 50 1 GGGF [3H]/C(CCCC(=O)O)=C(\[3H])C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 169307604 RJNDVCNWVBWHLY-LCGNWLQYSA-N 391.496 3.308 50 1 GGGF COC(=O)C[C@H](C)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169371743 JGJKXYPSEXJMRR-FLYPWCNCSA-N 384.469 3.163 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cl)C(=O)N(C)C)N1 587687895 IZPZQXJQMMPAPJ-BCSUUIJWSA-N 377.685 3.033 50 1 GGGF COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)ccc1OCC(=O)NN 587899438 AYBBZDCZNVKXAP-UHFFFAOYSA-N 386.879 3.415 50 1 GGGF CC(=O)OC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327721 RBJHRBWIPIVYLZ-MJGOQNOKSA-N 378.783 3.431 50 1 GGGF N#CC(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962918570 IOTQKIDYVAMSKH-FXAWDEMLSA-N 398.825 3.131 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CNC(=O)[C@@H](C)Cl)N1 587689976 YHPPQANDLXJHDM-KEMUVXCRSA-N 377.685 3.081 50 1 GGGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2ccc(F)c(Cl)c21 1911576216 CBJAOVMHNXLAFR-UHFFFAOYSA-N 382.782 3.422 50 1 GGGF COC(=O)c1c(C)[nH]c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587374313 VZURRMQQYVRTKN-LJQANCHMSA-N 376.840 3.408 50 1 GGGF O=C(O)c1coc([C@@]2(CCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727761 AQDVFNKLLIGKDM-WBMJQRKESA-N 387.741 3.106 50 1 GGGF OC[C@H]1[C@@H]2C[C@H](n3cnc4c(NCCc5ccccc5)ncnc43)[C@H]1C[C@@H]2Cl 103232004 RDABOEICLXTVTO-ATIWLJMLSA-N 397.910 3.278 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)O2 587382878 UABZNLNNPAYDBD-XJKSGUPXSA-N 390.789 3.073 50 1 GGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC[C@H]2Br 587546952 YYKDYVQTNXATQN-VKJFTORMSA-N 391.217 3.276 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cn(-c4ccc(F)cc4)nn1)[C@@H](C2)C3=O 587426256 BTDOGIOMNGUBPA-MGPUTAFESA-N 399.809 3.297 50 1 GGGF CCOc1ccc(F)c(CCNC(=S)NN2C=C[C@H](Cl)C=N2)c1Cl 169684771 ZKCQUDRPGUHJOM-JTQLQIEISA-N 391.299 3.222 50 1 GGGF CCCn1c(CCl)nc2cc3c(=O)n(CCC)c(CCl)nc3cc2c1=O 27627848 IBDNYGVYGPJIND-UHFFFAOYSA-N 395.290 3.404 50 1 GGGF CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCl)c1ccccc1S2 66113761 JVQIRQAPGJIIII-UHFFFAOYSA-N 382.894 3.305 50 1 GGGF COc1cc2c3c(c1)O[C@](CBr)(c1oc(C)nc1C)[C@@H](C2)C3=O 587410923 ADZRIVANSVKGSX-SJCJKPOMSA-N 378.222 3.338 50 1 GGGF CN(C)c1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1 95808332 AGUMOAYZOHLVGC-XQNSMLJCSA-N 396.491 3.498 50 1 GGGF COc1cncc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009751 QMJMPWNGIPXPOR-AWEZNQCLSA-N 383.839 3.087 50 1 GGGF N#C/C(=C\c1ccc(Oc2ccccc2)c(I)c1)C(N)=O 40651443 SOUOHJQRXGRGAZ-XYOKQWHBSA-N 390.180 3.476 50 1 GGGF N#CC1=COc2ccc(Br)cc2[C@@]12c1c(N)ccc3c1CCN2C3 962963796 WUCWHSXLQGZDDM-LJQANCHMSA-N 380.245 3.446 50 1 GGGF CC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962905272 PEJNFXJOFZVCAA-LCMPSIMXSA-N 392.858 3.443 50 1 GGGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCl)(c2cscn2)N1 962645192 VODIUOCVTIWDRK-RISCZKNCSA-N 392.786 3.123 50 1 GGGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@@H]1C(=O)Nc2ccccc21)CC3 1857758428 QQMRCJOBMPZEOB-GBXCKJPGSA-N 394.434 3.304 50 1 GGGF CC(=O)[C@H](Cl)[C@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190032 WIOLNLIISUKFPS-SGMGOOAPSA-N 384.181 3.369 50 1 GGGF C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2C(=C(C)C(=O)[C@H]2NC(=O)[C@H](C)CCl)C1 1857551281 ZZVZUPDFFVRSLU-PFJHFCAVSA-N 381.900 3.027 50 1 GGGF O=C(NCc1cn(-c2ccc3[nH]ncc3c2)nn1)Nc1cccc(CCl)c1 96908819 GGVXFTOYXHPWPW-UHFFFAOYSA-N 381.827 3.204 50 1 GGGF CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(C)cc1 45391696 PNBNTYSIOLVYHG-SGQCMQEMSA-N 381.476 3.298 50 1 GGGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 101400331 QQTFYANRDKCCPR-BVOGOJNSSA-N 388.485 3.237 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4nc[nH]n4)c1C)[C@@H](C2)C3=O 587419728 YQVLLNTXLGZBAW-YWZLYKJASA-N 398.850 3.103 50 1 GGGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc(NC=O)c3C(=O)[C@@]2(O)[C@@H]1N=C 2356436399 KUYNYZIXDYKMEA-DBLITZCYSA-N 388.895 3.349 50 1 GGGF O=[N+]([O-])c1cncn1CCN(CCBr)Cc1ccc(Cl)cc1 96926839 UQGCTQGXZIJWGZ-UHFFFAOYSA-N 387.665 3.342 50 1 GGGF CO[P@](=O)(c1ccc(C)c(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425658 ITEUVHRIQDJUMO-RUZDIDTESA-N 376.780 3.412 50 1 GGGF Cc1ccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1 653862709 GOEIDMMZEHOANQ-FSJBWODESA-N 392.411 3.455 50 1 GGGF COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(-c2ccc(OC)cc2)cc1F 584905167 VIKSKZVEJICSLD-CYVLTUHYSA-N 398.415 3.489 50 1 GGGF in-vitro Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)ccc1C(=O)O 1857582741 DYKHSLIJNWFBJS-WSDLNYQXSA-N 377.400 3.262 50 1 GGGF CN1CCC(C(=O)Nc2nccc(/C(C#N)=C3\NC(C(C)(C)C)=CS3)n2)CC1 64454519 YIGNXBOVBHLXAH-NBVRZTHBSA-N 398.536 3.173 50 1 GGGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCCC(=O)O)CCCC1 95808448 YUFPSVLUAFWIFN-XSFVSMFZSA-N 383.489 3.351 50 1 GGGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(=O)NN)ccn1 587860026 LOKGIPYZNVMTQW-UHFFFAOYSA-N 392.246 3.243 50 1 GGGF CC[C@H](C)C(=O)C1=C(O)[C@](O)(C(=O)/C=C/C(C)(C)OO)[C@H](CC=C(C)C)C1=O 1642676708 UFVOOGJDPDMPRH-ICOHGRTJSA-N 394.464 3.094 50 1 GGGF CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 103210795 RZXMPCIMXSIVGD-XERWBJCMSA-N 383.410 3.124 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)NC(=O)CO3)([C@@H](C)Cl)O2 587371178 DRLHWXSCJQVSFO-GIPWTMENSA-N 386.835 3.396 50 1 GGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)c1ccccc1CC[C@@H]2Br 962894035 HAWPOGDODRLEPC-JENIJYKNSA-N 390.252 3.378 50 1 GGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccc(F)cc1 103206171 SVKMKEIRRXRYJI-UKRRQHHQSA-N 378.190 3.326 50 1 GGGF O=C(N/N=C/c1ccncc1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473165494 CSZPBFXNMFGNJT-YDZHTSKRSA-N 385.383 3.268 50 1 GGGF COc1cc2c3c(c1)O[C@](CNC(=O)[C@H](C)Cl)(c1ccccc1)[C@@H](C2)C3=O 587419062 WLRIHWLJLFIYBK-LBJGKRIESA-N 385.847 3.082 50 1 GGGF Cc1cccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(O)cc(O)c3)cc2)c1 60311308 XIKDHFYZNBDTGD-QRVIBDJDSA-N 390.395 3.389 50 1 GGGF CCc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 95556068 GAEFXMHVYQHJDM-UHFFFAOYSA-N 382.869 3.377 50 1 GGGF O=C(N/N=C/c1cccc(OCc2cccc(F)c2)c1)c1cc(O)c(O)c(O)c1 653907651 XMAZKCYOJLPMPC-FOKLQQMPSA-N 396.374 3.285 50 1 GGGF COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1/N=C/CCn1nnc2ccccc21 66251561 IJBCQCJQWGWALM-ZLJAICEBSA-N 383.839 3.007 50 1 GGGF CC(=O)Nc1cccc(-c2cn(CCCSSCCN(C)C)nn2)c1 618010332 STXVFXGPSQVBIT-UHFFFAOYSA-N 379.555 3.237 50 1 GGGF Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 1772593441 KREUKFHUSRYHNO-HCGXMYGOSA-N 376.260 3.465 50 1 GGGF C=C(CCCC(C)=O)[C@@H]1C(=O)OC/C(=C\C=C\C(C)(C)OO)[C@@H]1CC(=O)OC 238783134 DFLACMQIXGYYKQ-JZGAMJCJSA-N 394.464 3.405 50 1 GGGF O=C1c2ccc(O)cc2O[C@]2(C=C(CCl)OCC2=O)[C@@H]1c1ccc(F)cc1 587325730 GWXDCLCQUUAESJ-QUCCMNQESA-N 388.778 3.351 50 1 GGGF N[C@H](CSCC1CCCCC1)[C@H](O)C(=O)NNc1cccc2ccccc12 27990393 QCESCQJUFOXDKX-QUCCMNQESA-N 387.549 3.285 50 1 GGGF CC(C)(C)OC(=O)NN(Cc1ccco1)c1nc(C#N)ncc1Br 58575148 UBYJAWKBAARXFO-UHFFFAOYSA-N 394.229 3.150 50 1 GGGF C[C@@H](/C=C1/C(=O)N(C)[C@@H](C[C@H](C)C(Cl)Cl)C(=O)N1C)C(Cl)Cl 139139167 HPESIQPIRSOIDD-YQDKCZNOSA-N 390.138 3.439 50 1 GGGF COC(=O)C1=CC[C@H]2[C@](C)(C/C=C/C(C)(C)O)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@H]1C=O 238751882 LDXUQWSFYSAZTE-PZVHEPDRSA-N 398.927 3.023 50 1 GGGF CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)Cl)CO2 28021836 YFDNFRSSBQGBOB-YKWLKKDSSA-N 387.860 3.148 50 1 GGGF COC(=O)CCCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169364890 UPDSIDSLDGLENK-ZMHZDYMXSA-N 384.469 3.164 50 1 GGGF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(=O)[C@H]2CC[C@]1(C)[C@]2(C)CBr 962915755 BMCVEMHCIPZBRL-HDBZGKQISA-N 394.357 3.285 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cccc(Cl)c2)cc1 473151568 QLYALVZSSYCGIM-UHFFFAOYSA-N 389.260 3.468 50 1 GGGF CC[C@@]1(CNC(=O)CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686407 UXXPEMIGJQJKHZ-PSLIRLAXSA-N 377.685 3.083 50 1 GGGF COc1cc2c3c(c1)O[C@](CNC(=O)CCCl)(c1ccccc1)[C@@H](C2)C3=O 587424322 YWVIWEYPHLLYGE-HRAATJIYSA-N 385.847 3.083 50 1 GGGF COc1cc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc(OC)c1OC 3233903 BMBLOFIHDPHYHB-HIXSDJFHSA-N 391.427 3.290 50 3 GGGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O 13833844 LGSDRHSXDZDRLH-VGOFMYFVSA-N 397.456 3.044 50 1 GGGF O=[N+]([O-])c1cn(CCN(CCBr)Cc2ccc(Cl)cc2)cn1 96926856 XTBYCZPGGYEVRC-UHFFFAOYSA-N 387.665 3.342 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC(=O)O)s1)[C@@H](C2)C3=O 587453139 UVWNBEBTWGZLGD-KPZWWZAWSA-N 378.833 3.266 50 1 GGGF COc1cc2c(cc1OC)[C@@]1(C(C=O)=COc3cccc(OC)c31)N(C)[C@H](C)C2 962567998 KPTBPNICQBMTRI-QKFKETGDSA-N 395.455 3.308 50 1 GGGF CCS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 586970698 DQBXMQBPLNJZHY-GFCCVEGCSA-N 375.288 3.218 50 1 GGGF CO[P@@](=O)(c1cc(C)cc(F)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425612 VURBZLFNLWYOEG-VWLOTQADSA-N 380.743 3.243 50 1 GGGF C[C@](O)(C=CBr)[C@H](Cl)C[C@@H](O)[C@](C)(Br)CCl 2356624359 BNEHRLDXDDBGIG-KYXWUPHJSA-N 398.950 3.397 50 1 GGGF CCNc1cc2c(cc1C)[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 38153969 GFALHXNTFVBTEC-LJQANCHMSA-N 379.416 3.382 50 1 GGGF CC(=O)NCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)o1 587370545 ABAGSQZOINZHFE-WYRIXSBYSA-N 376.840 3.294 50 1 GGGF C[C@@H](c1ccccc1)n1cncc1C(=O)NCCSSCCN(C)C 618008197 BUHWTCXTGSTPAX-HNNXBMFYSA-N 378.567 3.165 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)[C@H]2Br)N1 587681271 KFICLQKNICWEAC-HGDANNRKSA-N 391.078 3.444 50 1 GGGF Cc1nn(CCCCl)c(C)c1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963238390 YSADAMTZYBJGRT-ICSRJNTNSA-N 398.894 3.365 50 1 GGGF CSCC[C@H](NC(=O)c1ccccc1)C(=O)N/N=C(\C)Cc1ccccc1 6999264 DOWQHYWYUITKSN-LKZQPVPRSA-N 383.517 3.273 50 3 GGGF O=C(N/N=C(/Cc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1 13472289 INXVIVKHLGVBBS-XLNRJJMWSA-N 391.383 3.383 50 1 GGGF Cc1cc(Cl)cc(C(=O)N/N=C\N(C)C)c1NC(=O)c1cccnc1Cl 103216256 NXVOVDAUKQMXGM-NKVSQWTQSA-N 394.262 3.184 50 1 GGGF CC(=NNC(=O)c1ccccn1)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356824497 GVESYRULWFHDIR-UHFFFAOYSA-N 398.422 3.245 50 1 GGGF N#CC1=C(SCc2ccc(O)cc2)SC2(CCC(C(=O)O)CC2)NC1=O 84587096 CERRAACUVFPEBB-UHFFFAOYSA-N 390.486 3.195 50 1 GGGF C[C@H](Cl)C(=O)NC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324071 OUMDVKPLNSXIRI-VNNHTSALSA-N 391.826 3.392 50 1 GGGF NCCCCCCCNCCSSCCNCCCCCCCN 169332568 AWVAPUBXZQRZEM-UHFFFAOYSA-N 378.696 3.365 50 1 GGGF O=C(N/N=C(COc1cccc(Cl)c1)\N=C\c1ccncc1)c1ccncc1 6004603 UNVKTRZHESONTG-JMFVNPTESA-N 393.834 3.371 50 1 GGGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(N)=O)oc1C)CC2=O 587462255 WSGOWQIQFMYDIV-LJQANCHMSA-N 377.824 3.445 50 1 GGGF C[C@@H]1CC[C@H]2C(COCCO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103184985 QHUDOEURFVUUGT-DGUCZMLGSA-N 394.386 3.058 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@H](C)Br)CC2=O 587453676 RULHEKKNRWOZSU-DYZYQPBXSA-N 385.254 3.395 50 1 GGGF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(=O)[C@H]2CC[C@]1(C)[C@]2(C)CBr 962915754 BMCVEMHCIPZBRL-HAFFEQERSA-N 394.357 3.285 50 1 GGGF Clc1ccc(CN(CCBr)CCn2cncn2)c(Cl)c1 95596790 BKBVHJZVZZNCSL-UHFFFAOYSA-N 378.101 3.482 50 1 GGGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccccc1F 473119804 MOCAGCHVEDETSM-ZMOGYAJESA-N 392.390 3.002 50 1 GGGF CC(=O)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587671812 BEUYOSMMTQMEKU-WPPNPWJKSA-N 379.067 3.302 50 1 GGGF COc1ccc2cc(OCC(=O)NNC(=O)Nc3ccc(F)cc3)ccc2c1 8166341 CLMQRBYHVXRYGM-UHFFFAOYSA-N 383.379 3.219 50 3 GGGF COc1ccnc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587413384 NTPURUWZHSLPBM-FZKQIMNGSA-N 390.233 3.137 50 1 GGGF NC(=O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587546031 USVADEWKHICQPS-OXJNMPFZSA-N 399.786 3.180 50 1 GGGF CCCc1c(O)ccc2c1O[C@](CBr)(c1nonc1C)CC2=O 587457189 VVXOZKBAWBJBSK-MRXNPFEDSA-N 381.226 3.292 50 1 GGGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962905286 PEJNFXJOFZVCAA-NRKGENKXSA-N 392.858 3.443 50 1 GGGF COc1cc(CCn2cnc3ccc(/C(C#N)=C/O)cc3c2=O)cc(OC)c1 1857618360 RHMQGNYKKMEVAV-FOWTUZBSSA-N 377.400 3.079 50 1 GGGF COc1cc(C(=O)NCCCSSCCN(C)C)nc2ccccc12 618007714 FTQIAZGPFQPWKD-UHFFFAOYSA-N 379.551 3.306 50 1 GGGF COc1cc2c(cc1OC)[C@@]1(C(=C(C#N)C#N)C(=O)c3ccccc31)N(C)[C@@H](C)C2 962645285 ZJGZUBOBEKUPME-BSEYFRJRSA-N 399.450 3.364 50 1 GGGF CCOC(=O)C(C)(C)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587372159 HTYOIRHFKDHVGL-KRWDZBQOSA-N 384.270 3.265 50 1 GGGF CCN(C)C(=O)Oc1cccc(CNC(=O)CSCCCCN=C=S)c1 1857610426 DCLKAAJFVFWKQL-UHFFFAOYSA-N 395.550 3.370 50 1 GGGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@H]1C(=O)Nc2ccccc21)CC3 1857758431 QQMRCJOBMPZEOB-YKSBVNFPSA-N 394.434 3.304 50 1 GGGF C=CC(=C)[C@H](C[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C)OO 2356722228 ALXHJBYLXLQHLX-CQHGLTIFSA-N 396.524 3.483 50 1 GGGF Cc1cc2c(cc1O)[C@](CBr)(c1ccccc1F)N[C@H](C(=O)O)C2 963507604 IREKFWUVELCXKT-YJBOKZPZSA-N 394.240 3.077 50 1 GGGF CC(C)=C1C[C@H]2[C@](C)(O)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC1=O 238753724 JBXFJSIBHIKVCH-LHLWPPBNSA-N 386.916 3.143 50 1 GGGF CC[C@]1(CNC(=O)CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587687020 YMQPZPDXXDRFBL-RFAUZJTJSA-N 377.685 3.083 50 1 GGGF COc1cc2c3c(c1)O[C@@](C)([C@H](Cc1ccccc1)NC(=O)CCl)[C@@H](C2)C3=O 587418901 BPZFDCRUBSHJDR-SGXKBVARSA-N 399.874 3.168 50 1 GGGF CSc1ccc(C2=C(c3ccc(N(C(C)=O)C(C)=O)cc3)C(=O)OC2=O)cc1 49762393 QEVRUINEFGRQAL-UHFFFAOYSA-N 395.436 3.302 50 1 GGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356426380 WKHLFLBJNFQCAE-FYQPLNBISA-N 388.460 3.233 50 1 GGGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cnccn1)CC2=O 587456484 PHDRDERZEYSWJP-KRWDZBQOSA-N 377.238 3.390 50 1 GGGF CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(Cl)cc3)no2)cc1 45348674 PZWNRNIRHAMSGK-KEBDBYFISA-N 383.795 3.112 50 1 GGGF Cc1nn(CCCCCl)c(C)c1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963465381 CETCJRKAJYBDTD-HNAYVOBHSA-N 391.899 3.221 50 1 GGGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=O)[C@]3(C)CC[C@H]2[C@]1(C)C(=O)O 2356313410 YKSQIXGEPIKIQP-JFGZCMJWSA-N 390.476 3.330 50 1 GGGF Cc1cc(N(CCCl)CCCl)ccc1C=NNC(=O)c1cccnc1 253673124 DASAJPZSXSWVBU-UHFFFAOYSA-N 379.291 3.438 50 3 GGGF N#CC1=COc2ccc(Br)cc2[C@]12c1c(N)ccc3c1CCN2C3 962963787 WUCWHSXLQGZDDM-IBGZPJMESA-N 380.245 3.446 50 1 GGGF C[C@](O)(C=CBr)[C@H](Cl)C[C@H](O)[C@@](C)(Br)CCl 2356624356 BNEHRLDXDDBGIG-KATARQTJSA-N 398.950 3.397 50 1 GGGF CC(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 587410877 RANXIVFXVOEQJE-LJQANCHMSA-N 392.908 3.417 50 1 GGGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4cc[n+](C)cc4)[C@@]13OO2 43328073 JWGDASXBGJIMGW-XDWAVFMPSA-N 378.489 3.034 50 1 GGGF C=C(CCCC(C)=O)[C@@H]1C(=O)OC/C(=C/C=C/C(C)(C)OO)[C@@H]1CC(=O)OC 238786595 DFLACMQIXGYYKQ-YVEDAWLNSA-N 394.464 3.405 50 1 GGGF CO[C@@]1(C)OO[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)C[C@H]1CNCCCn1ccnc1 1857612039 UZQAAABOBOYJOL-XJEPWFOTSA-N 377.529 3.388 50 1 GGGF COc1cc(OC)cc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1 101927151 AOONFVHNOQNMON-SDXDJHTJSA-N 379.372 3.230 50 1 GGGF C/C(=N\NC(=O)CC(=O)Nc1ccc(Cl)cc1)c1cc2ccccc2oc1=O 17187970 LDYKPJLLQJZMGV-FSJBWODESA-N 397.818 3.315 50 1 GGGF O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 44181903 PLTUEPHESXGQJQ-CQSZACIVSA-N 382.294 3.310 50 1 GGGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)N=C2C=CC=CN2C(N)=C1C#N 82053308 NIGQEWAJJLBZHK-CYBMUJFWSA-N 376.275 3.003 50 1 GGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CNC(C)=O)s1)[C@@H](C2)C3=O 587450913 MCJSWMJWXGCJKA-IFXJQAMLSA-N 391.876 3.275 50 1 GGGF Cc1ccc2c([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc(=O)oc2c1 1857629773 BDZSICFYMDQQBW-IBGZPJMESA-N 398.374 3.426 50 1 GGGF CC[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)NSN1)c1cc(C(C)C)co1 2356692730 IXPWNULVCAYTKS-AWEZNQCLSA-N 383.477 3.356 50 1 GGGF CC(=C[C@@H]1C[C@]2(C)OC3=C(C[C@@H]2O1)C(=O)CC[C@H]3O)CC=CC(C)(C)OO 2356334996 RIJUSTJSMDNKKJ-XXLATIFVSA-N 378.465 3.462 50 1 GGGF COc1cc(O)cc([C@@H]2OC[C@H](Cc3ccc(O)c(OC)c3)[C@@]2(O)CCl)c1 238737317 RSQWBTHNAPSICH-GKCIPKSASA-N 394.851 3.015 50 1 GGGF C1CC(NC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CCO1 169321454 LOCBVYOTLAVUDA-UHFFFAOYSA-N 379.497 3.456 50 1 GGGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(OC)cc1)[n+]1cc(C)cc(C)c1 205838831 UOJGFNYKSIWTCT-UHFFFAOYSA-O 379.436 3.496 50 1 GGGF CC(=O)O[C@]1(O)CC[C@H](C(C)=CC=CC(C)(C)OO)[C@@H]1[C@H]1C(=O)C=C[C@@H]1C 2356545427 SMHGBAYGYMMHKI-HQUDQQMJSA-N 378.465 3.426 50 1 GGGF COc1ccc(/C=N/OC[C@H](Cl)CN2CCOCC2)cc1OC1CCCC1 45284297 RMROSRFSKVOODY-NEIHUHTASA-N 396.915 3.307 50 1 GGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(O)c1O 95808604 VKSJVLUUYYKLCX-HYARGMPZSA-N 399.447 3.233 50 1 GGGF O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)c(F)c2)cc1 95809299 NCANIVIILXJTHV-YDZHTSKRSA-N 377.375 3.376 50 1 GGGF C[C@@H]1CC[C@H]2[C@H](CCC(=O)c3ccc[nH]3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103198837 LMWXYRNXGABKJN-CNHQJSOBSA-N 389.448 3.366 50 1 GGGF C=CC(=C)[C@H](C[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)OO 2356722230 ALXHJBYLXLQHLX-TUBSGNOOSA-N 396.524 3.483 50 1 GGGF COc1cc2c(c3oc(=O)ccc13)[C@H](OC(C)=O)[C@@H](Br)C(C)(C)O2 40420723 OPYZLTUXYTWNKM-JKSUJKDBSA-N 397.221 3.340 50 1 GGGF COc1cc2cc(C(=O)N(C)CCSSCCN(C)C)[nH]c2cc1OC 618009659 GVSVCBGNEGGRFC-UHFFFAOYSA-N 397.566 3.200 50 1 GGGF C[C@H](Cl)C(=O)Nc1c(-c2ccc3c(O)nc(O)nc3n2)oc2ccccc12 587366889 RGRIPETVGUAOLL-QMMMGPOBSA-N 384.779 3.415 50 1 GGGF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnn1CCCl 587881702 XQADUZUHRWWVHR-UHFFFAOYSA-N 384.694 3.448 50 1 GGGF C=C1[C@@H](CCC(C)=CC=O)[C@@]2(C)C[C@@H](O)C[C@@](C)(COC(C)=O)[C@H]2C[C@H]1O 2356578608 XZQJBUKWKSKQAS-LJUYRKFLSA-N 378.509 3.195 50 1 GGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cc(F)cc(F)c2)cc1 473145992 CAJLNKNSVRPAJJ-UHFFFAOYSA-N 390.795 3.093 50 1 GGGF COC(=O)C1=CN(c2ccc(C)cc2)C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 95604598 XKRFTKGBSYVALO-FQEVSTJZSA-N 375.428 3.358 50 3 GGGF COC(=O)C[C@H](C)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43664226 JGJKXYPSEXJMRR-WMKIEZIESA-N 384.469 3.163 50 1 GGGF CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 95556057 FFBGUAJZXJWQIM-UHFFFAOYSA-N 381.885 3.410 50 1 GGGF O=C(COc1ccc(Cl)cc1)NNC(=S)NCCCCc1ccccc1 96285266 HIWWDAHIWRLRII-UHFFFAOYSA-N 391.924 3.237 50 1 GGGF COC(=O)[C@H](C)CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43504106 ZNDFKLONMXLMAH-CAEZWFICSA-N 384.469 3.020 50 1 GGGF O=C(/C=C1/Nc2cc(Cl)c(Cl)cc2NC1=O)N/N=C/c1ccccc1 1857539811 DLOZJBXHQGBNAQ-LOLMUVSESA-N 375.215 3.392 50 1 GGGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@H]1C(=O)Nc2ccccc21)CC3 1857758429 QQMRCJOBMPZEOB-HYBUGGRVSA-N 394.434 3.304 50 1 GGGF COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427090 GSVDRYUVDHNZAZ-IGVAALFASA-N 378.403 3.446 50 1 GGGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])cc1 1772599577 NSTHLBZRFTXSRR-QGZVFWFLSA-N 376.372 3.248 50 1 GGGF CCOC(=O)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544994 PXKROHOFAAZKQV-APWZRJJASA-N 376.792 3.285 50 1 GGGF Cc1cc2oc(=O)cc(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2cc1C 40402785 IPSJFPFQVBLHNJ-SRZZPIQSSA-N 379.372 3.011 50 1 GGGF CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N1C[C@@H](N2CCCC2)CS1(=O)=O 195168290 ZOGJRVKTPPLSGP-SJORKVTESA-N 390.666 3.143 50 1 GGGF Cn1cncc1CCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 13647786 ZBLCCHFRRHOUIM-NBVRZTHBSA-N 375.461 3.275 50 1 GGGF [3H]/C(CCCC(=O)O)=C(\[3H])C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 169307602 RJNDVCNWVBWHLY-WQSDUBSTSA-N 391.496 3.308 50 1 GGGF COc1ccc(-c2cc(C(=O)NCCSSCCN(C)C)no2)cc1 618008209 BXJAFMBUCVYCSF-UHFFFAOYSA-N 381.523 3.023 50 1 GGGF [C-]#[N+]C(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N 95092796 OSXOBXXOVNWNOP-UNEKJRSWSA-N 380.502 3.476 50 1 GGGF investigational Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)N(C)C)cs1)O2 587409989 KFSZUABPTCJRCI-GOSISDBHSA-N 378.881 3.440 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)NC(=O)CO3)([C@H](C)Cl)O2 587371182 DRLHWXSCJQVSFO-YBTHPKLGSA-N 386.835 3.396 50 1 GGGF O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C(=O)N1CCCl 299820517 GBFROFPUZTUHCL-IEBWSBKVSA-N 395.846 3.391 50 1 GGGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 253883973 QQTFYANRDKCCPR-OYNPSCLESA-N 388.485 3.237 50 1 GGGF Cc1nc(N2NC(c3ccccc3)=C[C@H]2c2ccccc2)sc1C(=O)NN 958043835 LJHLTORFQLNPBW-KRWDZBQOSA-N 377.473 3.162 50 1 GGGF CN1C(=O)C[C@@H]2CN[C@@](CCCCCl)(CC3OCCO3)c3cccc1c32 963016071 CFDHNQVYCDOPIO-VLIAUNLRSA-N 378.900 3.107 50 1 GGGF COC(=O)CCCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103187399 UPDSIDSLDGLENK-SNLCDYOMSA-N 384.469 3.164 50 1 GGGF CO[C@]1(C)OO[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)C[C@H]1CNCCCn1ccnc1 1857551461 UZQAAABOBOYJOL-NRVIEEGESA-N 377.529 3.388 50 1 GGGF CC(C)CN(NC(=O)c1cnoc1-c1ccccc1)c1nc(C#N)ncc1Cl 66259278 RXBHSMXIPNPDML-UHFFFAOYSA-N 396.838 3.464 50 1 GGGF COC(C)(C)[C@@H](Br)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586971695 WSYBXVVDELEWJP-HNNXBMFYSA-N 393.285 3.179 50 1 GGGF COc1cc2c(cc1OC)[C@](C)([C@H](NC(=O)CCl)C(C)C)N(C)[C@H](C)C2 962632514 RRUAGWZQFQOPGX-SMHULIPUSA-N 382.932 3.175 50 1 GGGF CCCOc1ncc(CN/C(=C(/C#N)C(=O)OCCOCC)C(C)C)s1 103218169 HNZVHBDPTFKUNU-NXVVXOECSA-N 381.498 3.035 50 1 GGGF COC1=CC=C/C(=C\NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)C1=O 38185742 QVNHXSVYFUHTAU-CCEZHUSRSA-N 398.422 3.084 50 3 GGGF CCCc1c(O)ccc2c1O[C@](CBr)(CC(=O)OCC)CC2=O 587456413 OKHPEFDXJKASTM-KRWDZBQOSA-N 385.254 3.397 50 1 GGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)CBr)N1 587674723 ZRSUWZOWLDARDB-CPFSXVBKSA-N 379.067 3.302 50 1 GGGF O=c1cc(CCl)oc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1O 96922718 GPBZQQRBHHEYPX-UHFFFAOYSA-N 383.275 3.055 50 1 GGGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCCC1 58576409 DFQMNVYSKFQQJB-UHFFFAOYSA-N 382.262 3.299 50 1 GGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)C=O)N1 587669875 GOJSIEIIJCFUNP-BLBGDKDGSA-N 379.067 3.300 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3nc[nH]n3)c1C)O2 587371912 HVPFOEUIZHXSHI-LJQANCHMSA-N 385.855 3.202 50 1 GGGF Cn1cccc1[C@]1(CCl)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643810 WBUWLLUZKZWCBW-ZBEGNZNMSA-N 388.773 3.005 50 1 GGGF O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 26173086 DDBFYGAIHAZCOR-OFCPNAQTSA-N 385.464 3.382 50 1 GGGF Cc1ccccc1COc1cccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)c1 653862974 YKKOKHMKPVINAP-FSJBWODESA-N 392.411 3.455 50 1 GGGF COc1cc2c3c(c1)O[C@](C)([C@H](Cc1ccccc1)NC(=O)CCl)[C@@H](C2)C3=O 587418903 BPZFDCRUBSHJDR-ZJBJCVSYSA-N 399.874 3.168 50 1 GGGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C\N(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427092 GSVDRYUVDHNZAZ-ZHMCXKIESA-N 378.403 3.446 50 1 GGGF CC1(C)OB(c2ccc(N(CCCl)CCCl)c([N+](=O)[O-])c2)OC1(C)C 1857602849 OUOVBHRJRHRMFJ-UHFFFAOYSA-N 389.088 3.178 50 1 GGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccccc2)no1)SC 103210700 QMSCJRKKADQTTL-FBMGVBCBSA-N 387.461 3.109 50 1 GGGF COc1cc2c3c(c1)O[C@@](CSC#N)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587449402 OTGRSVHNZNCSSP-KXBFYZLASA-N 382.397 3.461 50 1 GGGF COc1cccc([C@@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)c1 103175388 LRZLCCSZASARJS-GOEBONIOSA-N 390.226 3.196 50 1 GGGF C[C@H](Br)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 28954558 JDHBLUYDCDLXQQ-JTQLQIEISA-N 391.221 3.390 50 1 GGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)NC(=O)CO3)([C@H](C)Cl)O2 587371179 DRLHWXSCJQVSFO-PRWKNARSSA-N 386.835 3.396 50 1 GGGF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(=O)[C@H]2CC[C@]1(C)[C@@]2(C)CBr 962915756 BMCVEMHCIPZBRL-UCVSXLDNSA-N 394.357 3.285 50 1 GGGF N#C/C(=C\c1ccccc1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccccc1 13676716 DDMZQAXGSJKENC-YHARCJFQSA-N 398.466 3.213 50 1 GGGF O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1c[nH]cn1 49756949 XXLCGJVPFDTDSG-UHFFFAOYSA-N 387.480 3.157 50 1 GGGF CC(C)CN(NC(=O)c1cc2ccccc2cn1)c1nc(C#N)ncc1Cl 58591052 PNZGQOLMDKFEAV-UHFFFAOYSA-N 380.839 3.357 50 1 GGGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@](CCl)(c2cscn2)N1 962645200 VQZWRVIXVZPBIJ-OTYXRUKQSA-N 392.786 3.123 50 1 GGGF