smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 725676 KAWWQNSQXAXNEL-LJQANCHMSA-N 364.449 3.328 10 50 FGCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@@H](C)C(=O)O)cc1 4093775 AKNPESZCSZHCQJ-QCUKBLKESA-N 350.374 3.345 10 50 FGCA COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])cc1OC 2053498238 JTQCURYQPCFEPC-UHFFFAOYSA-N 367.361 3.418 10 50 FGCA Cc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 4819369 GXGLBDPVSQCXNT-XNTDXEJSSA-N 351.318 3.410 10 50 FGCA COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C)cc2C)c1 7496971 JVEINKFHFAVWGA-UHFFFAOYSA-N 370.449 3.166 10 50 FGCA COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1O)NCC2 22204797 IACLQLCVZLFYQT-QGZVFWFLSA-N 364.239 3.407 10 50 FGCA Cc1ccc2c(c1)/C(=C1\SC(N(C)c3ccc(O)cc3)=NC1=O)C(=O)N2 19792104 UZUYAWNZOKTQNM-FOCLMDBBSA-N 365.414 3.130 10 50 FGCA Cc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 100401511 COXBYBLRDGVXPH-UVTDQMKNSA-N 355.781 3.227 10 50 FGCA C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2F)C[C@@H](C)O1 252680196 XKGFLLVIODYYOZ-YONAWACDSA-N 360.473 3.492 10 50 FGCA CN(Cc1ccc(N2CCOCC2)cc1)c1noc(-c2ccccc2)n1 156963155 JSUKYLBOKBVYGZ-UHFFFAOYSA-N 350.422 3.210 10 50 FGCA Cn1cc(C[N@@]2C[C@H]2COc2ccc(N3CCCCC3)c(Cl)c2)cn1 1875382219 VFVQCMCOXVEIGJ-FYSMJZIKSA-N 360.889 3.327 10 50 FGCA CN(C)Cc1cc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)ccc1O 65526728 XKXVOXYZQNOKRU-INIZCTEOSA-N 354.454 3.240 10 50 FGCA CC(C)C(=O)N1CCC[C@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 827926844 CHOXMJJLCJUAOZ-NRFANRHFSA-N 369.553 3.381 10 50 FGCA COc1ccc(OC)c([C@H](O)c2coc3ccc(O)c(CN(C)C)c23)c1 755080 CRJMEUQJJQEPRN-FQEVSTJZSA-N 357.406 3.299 10 50 FGCA Cc1nc(C)n(CCCNC2CCN(c3ccc4c(c3)CCC4)CC2)n1 1506414458 QDNOHXNIAQIUFD-UHFFFAOYSA-N 353.514 3.032 10 50 FGCA Cc1ccccc1N1C(=O)/C(=C\Nc2ccc(Cl)cc2)C(=O)NC1=S 5595889 CZSGIEUQPFHNMG-UVTDQMKNSA-N 371.849 3.392 10 50 FGCA Nc1c(Cl)cc(N2C(=O)c3ccccc3C2=O)cc1Br 625644 QEFYNWJYWXWFAP-UHFFFAOYSA-N 351.587 3.485 10 50 FGCA CC(C)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)ccc1O 882800003 XBBLAJRKMLDJCR-UHFFFAOYSA-N 363.361 3.069 10 50 FGCA O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccn1 22171039 BEIYJBPHPLZIAA-WYMLVPIESA-N 369.471 3.312 10 50 FGCA Cc1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)O)c(C)n1-c1ccc(F)cc1 262811998 BCKWQUUYHSKSDR-AWEZNQCLSA-N 372.318 3.369 10 50 FGCA COc1ccc(N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1 14397795 PAGSGTBYBIBNLQ-UHFFFAOYSA-N 354.450 3.203 10 50 FGCA CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCOCC3)c(O)ccc21 19881326 LTXPBGBIDBMBJM-UHFFFAOYSA-N 374.481 3.464 10 50 FGCA Cc1c(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)n(C)c2ccccc12 952975396 NGQDOXIUCHISGL-UHFFFAOYSA-N 364.449 3.239 10 50 FGCA CC(C)(C)NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 5094414 CLDJBSIBRBRYTO-PKNBQFBNSA-N 354.522 3.254 10 50 FGCA c1cc2c(cc1N1CCC(N3CCC(C4CCNCC4)CC3)CC1)OCO2 1857674663 RYGLZCUPUGSVMK-UHFFFAOYSA-N 371.525 3.096 10 50 FGCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 1202909 QDYASOMFMGUVAI-YBEGLDIGSA-N 368.345 3.061 10 50 FGCA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 4455984 LMWOVQPGLVEABC-KRZKXXONSA-N 357.454 3.280 10 50 FGCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S 5857642 NEKSCRPLGMYFGM-KADHNRKRSA-N 356.428 3.109 10 50 FGCA Cc1nn(C)c(C)c1[C@@H](C)NC1CCN(c2ccc3c(c2)OCO3)CC1 1506407464 WGACTJMOLWWYNL-CYBMUJFWSA-N 356.470 3.085 10 50 FGCA CN(C(=O)c1cccc(C(=O)N(C)c2ccc(N)cc2)c1)c1ccc(N)cc1 754620 UBLXIYAHPRPZNI-UHFFFAOYSA-N 374.444 3.404 10 50 FGCA c1ccc2c(c1)CCN2CCNC1CCN(c2ccc3c(c2)OCO3)CC1 1506413648 SGWKJYNYNFYBRT-UHFFFAOYSA-N 365.477 3.036 10 50 FGCA COc1ccc(N2CCN(C(=O)CCn3nc(C)cc3C)CC2(C)C)cc1 77285103 SOZNTKSEYBTHHG-UHFFFAOYSA-N 370.497 3.026 10 50 FGCA CSc1ncc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cn1 1126036 QIDIZGKVFOELGW-VGOFMYFVSA-N 368.418 3.322 10 50 FGCA CCNc1ncc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cn1 97742654 HGVAXYXRMKVLAG-OAHLLOKOSA-N 353.470 3.075 10 50 FGCA CCOC(=O)c1c(C)n(C)c2cc(Br)c(O)c(CN(C)C)c12 22147360 ORLWKKITHVJZOV-UHFFFAOYSA-N 369.259 3.193 10 50 FGCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc([N+](=O)[O-])c1O 100296544 ISUJVUFRWOMWGG-RIYZIHGNSA-N 353.334 3.115 10 50 FGCA COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 15746260 DPMCIBHDQFVRPL-GDNBJRDFSA-N 371.439 3.403 10 50 FGCA COc1ccc(O)c(CN2CCC[C@H](N3CCc4ccccc4C3)C2)c1 20601846 PENRQOGHLCRUNW-FQEVSTJZSA-N 352.478 3.424 10 50 FGCA Cc1cc(C)c(N/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)c1 5394615 RDZQHJYBOPDXKE-WJDWOHSUSA-N 363.417 3.499 10 50 FGCA COc1ccc(N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 752479 KMLFOAXUFSBRHD-UHFFFAOYSA-N 372.465 3.043 10 50 FGCA CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 4701967 YTTCNMUJRHWHQV-QINSGFPZSA-N 368.364 3.281 10 50 FGCA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1C 1162790 RYRNENAZRBDFFL-MHWRWJLKSA-N 366.442 3.143 10 50 FGCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC 15010476 DJKXWNHRSJDIDW-POHAHGRESA-N 374.281 3.345 10 50 FGCA COc1cccc(/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)c1 1173483 AONTVRJLQSGMPC-OQLLNIDSSA-N 367.317 3.110 10 50 FGCA COc1ccc(N2CCN(C(=O)Cn3ccc4ccc(F)cc43)CC2)cc1 32089367 ORCYHNYEDMALCJ-UHFFFAOYSA-N 367.424 3.138 10 50 FGCA COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1O 9013349 AXFUKJKINBWGDR-MDWZMJQESA-N 356.309 3.047 10 50 FGCA O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc(O)c(O)c1 2877507 CIWSEIUAJRINBU-UHFFFAOYSA-N 371.374 3.371 10 50 FGCA COc1cc(OC)c(OC)c(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c1 328600593 YXCMLBDYZSMRIK-KRWDZBQOSA-N 370.405 3.116 10 50 FGCA COc1ccc(N2CCOCC2)c(NC(=O)COc2cccc(C)c2C)c1 6715999 ZFGBAECYJWPEJX-UHFFFAOYSA-N 370.449 3.166 10 50 FGCA Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccccc3O)C2)CC1 23373020 HRJFUTJVBHPAMT-OAQYLSRUSA-N 365.521 3.487 10 50 FGCA CCOc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Br 1875324472 AAXWNQTULRATEW-UHFFFAOYSA-N 372.240 3.354 10 50 FGCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1 1225729 QXWVHLZNGSHUEK-GXDHUFHOSA-N 371.190 3.116 10 50 FGCA COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1O 12382255 TZJQXSBVRQYVBW-XGICHPGQSA-N 368.436 3.166 10 50 FGCA OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1Cc1cccs1 20452070 KLFVBUHQWMPIFU-MRXNPFEDSA-N 366.914 3.176 10 50 FGCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 4471324 WHWMSLCESSXLAU-YFHOEESVSA-N 365.172 3.345 10 50 FGCA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1 1192811 XKIBKZPVRBDVRU-XYOKQWHBSA-N 357.347 3.471 10 50 FGCA Cc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2Cl)C1=O 2892812 JVMKAJBLDDXWJR-BENRWUELSA-N 355.781 3.227 10 50 FGCA Oc1ccc(Br)cc1CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101858913 HNVUJOILHPMUKN-ZQIUZPCESA-N 365.315 3.461 10 50 FGCA COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1OC 100293946 ZARFTDPIBRPCHK-MHWRWJLKSA-N 367.361 3.418 10 50 FGCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(F)cc1 771794 QWNLOMKWRVGXJK-NTEUORMPSA-N 360.797 3.310 10 50 FGCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Cl 14011130 LJYTZTCVAWMELP-ZROIWOOFSA-N 370.792 3.323 10 50 FGCA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(N(C)C)cc1)C2=O 19320094 PBGXKHIRCBWTEE-UHFFFAOYSA-N 355.526 3.250 10 50 FGCA biogenic CCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)ccc32)cc1 263617864 QCDWMYISIFOGFT-UHFFFAOYSA-N 361.394 3.328 10 50 FGCA O=C1/C(=C/c2c[nH]nc2-c2ccccc2)SC(=S)N1C[C@H]1CCCO1 1164524 ZBQHGRIEBQRDNG-WJQTUHTMSA-N 371.487 3.457 10 50 FGCA N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC=C(c3ccccc3)N12 28615446 UUVYXCMXHCSQLD-GPHIBNKYSA-N 366.358 3.492 10 50 FGCA Oc1ccccc1CN1CCc2[nH]cnc2[C@@H]1c1cnc(-c2ccco2)nc1 72171665 JLKVCEGPRYATGZ-FQEVSTJZSA-N 373.416 3.313 10 50 FGCA O=S(=O)(Cc1ccccc1F)NCc1ccc(N2CCCCC2)cc1 13670876 JWVRJVWQRQJHRS-UHFFFAOYSA-N 362.470 3.436 10 50 FGCA Cc1ccc(C)c(N/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 3005340 VDHQQEWVBRHGMT-JLHYYAGUSA-N 369.421 3.186 10 50 FGCA CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 1185482 RORAQTQXGKVNRY-XNTDXEJSSA-N 356.378 3.214 10 50 FGCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3)C2=O)c(C)c1 18154243 KQKTXESYNPOXEO-MHWRWJLKSA-N 367.380 3.330 10 50 FGCA COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 15723922 AFOMADSNZBIQCS-DHDCSXOGSA-N 356.403 3.205 10 50 FGCA CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)CC1 20395320 RGEHECBQILDZLE-UHFFFAOYSA-N 364.445 3.303 10 50 FGCA biogenic CCCCC1=NN2C(=N)/C(=C/c3ccc4c(c3)OCO4)C(=O)N=C2S1 4725330 BLZYJIXJLXXERW-GIZZYUGMSA-N 356.407 3.225 10 50 FGCA CCN(CC)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(O)c1 656914 WSDHPUOHJBWIOH-WQRHYEAKSA-N 365.458 3.009 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CC2)cc1 1100537 RGUDGJLRXMIZMZ-GOSISDBHSA-N 368.477 3.428 10 50 FGCA CCc1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 55385462 VGDXLARWNKYWQJ-UHFFFAOYSA-N 353.466 3.018 10 50 FGCA CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1O 6697721 QJDAYWZOTJJKCE-MRXNPFEDSA-N 354.406 3.497 10 50 FGCA O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1 10113270 OMSDVUGXKNWUQT-UHFFFAOYSA-N 362.470 3.436 10 50 FGCA CCOCc1cc(CN[C@@H]2COc3c(cccc3OC)C2)ccc1OC 14958198 BLJAAETUUVEJLT-SFHVURJKSA-N 357.450 3.334 10 50 FGCA O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCCC1 363187337 LGIYBTKWWJRUIS-ZDUSSCGKSA-N 357.376 3.217 10 50 FGCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 15724081 RXVVJFCPFXYUAD-SXGWCWSVSA-N 351.318 3.099 10 50 FGCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1ccncc1 100163410 XPPGFBAVTJPAOD-GHRIWEEISA-N 365.393 3.166 10 50 FGCA O=C(O)CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 101343503 PPEKDYIIMWJSGI-GUXCAODWSA-N 366.392 3.467 10 50 FGCA CCC1=NN2C(=N)/C(=C\c3ccccc3Br)C(=O)N=C2S1 5112510 DBULVTWNGURYKZ-YPJIHQTBSA-N 363.240 3.478 10 50 FGCA COc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 52537686 IZZJKJQJKVPUGS-UHFFFAOYSA-N 354.450 3.099 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 32073527 KPCBQJQVBIURPL-UHFFFAOYSA-N 361.445 3.448 10 50 FGCA Cc1cc(I)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 148558868 JMRRIKROUNXRLA-JRKPZEMJSA-N 355.175 3.138 10 50 FGCA Cc1cccc(N2C(=O)/C(=C\Nc3cccc(Cl)c3)C(=O)NC2=S)c1 5595863 DLKVVZAUTUHBTM-GDNBJRDFSA-N 371.849 3.392 10 50 FGCA COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 16511506 WBKADJDGQGGXCC-GXDHUFHOSA-N 356.765 3.015 10 50 FGCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S 5857625 NEKSCRPLGMYFGM-SSUFTNFISA-N 356.428 3.109 10 50 FGCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)NC2=S)cc1 759561 IOQPTPXNZJAKMN-SFQUDFHCSA-N 366.442 3.225 10 50 FGCA CC(C)NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 5230811 WTBBQOXLJUBZIF-XMHGGMMESA-N 351.450 3.048 10 50 FGCA CCCC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 2470705 LJHWCRCDVDMSTC-INIZCTEOSA-N 355.350 3.447 10 50 FGCA Cc1c(CCNC(=O)[C@@H]2CCn3nccc3C2)c2cccc3c2n1CCC3 1857709527 CQDYEBMJBIBTMA-QGZVFWFLSA-N 362.477 3.014 10 50 FGCA CC[C@H]1CN(Cc2ccc(O)c(O)c2)CCC(=O)N1Cc1ccccc1 71711880 IVMLYVBPIWTADS-SFHVURJKSA-N 354.450 3.111 10 50 FGCA O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(O)cc1 941931 CKFWFLPFGHSSGI-JXAWBTAJSA-N 365.458 3.185 10 50 FGCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 4613967 VRJCVLURZYXJNO-GHMZBOCLSA-N 365.451 3.243 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C 1186462 OWBZORPCZXQIHU-GZTJUZNOSA-N 364.401 3.287 10 50 FGCA COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 12382992 VOWCKUCZBZRUBC-ATVHPVEESA-N 364.401 3.485 10 50 FGCA CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1O 12411444 VSVAKYQORBGFCH-UVTDQMKNSA-N 353.465 3.029 10 50 FGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 6224384 FVFNCUQRDPXSBE-ZROIWOOFSA-N 359.744 3.058 10 50 FGCA CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 1065654 DIOXXTLSYFJOPZ-YPKPFQOOSA-N 356.428 3.028 10 50 FGCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N=C2O)o1 15722742 XPIHPKHYLBOHCT-JYRVWZFOSA-N 355.306 3.095 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 1180377 MHTSRLKGFKVQSI-WOJGMQOQSA-N 364.401 3.287 10 50 FGCA Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 72119241 YFVBETRONIOHRT-KRWDZBQOSA-N 354.450 3.088 10 50 FGCA COc1cccc(O)c1CN1CCc2[nH]nc(-c3ccccc3F)c2C1 67842498 QGBUXJIFJLPFCI-UHFFFAOYSA-N 353.397 3.488 10 50 FGCA COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c1 13689600 XCEKXFREMYNPGQ-PTNGSMBKSA-N 370.455 3.241 10 50 FGCA O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(Cc3ccccc3)[nH]c21 3894287 ANMNTQXZCKEMQQ-UHFFFAOYSA-N 354.365 3.153 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3Cl)CC2)cc1 12380460 ABYWVRCLQHRPIM-OAHLLOKOSA-N 374.868 3.465 10 50 FGCA CN1C(=O)/C(=C2\SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc21 5376029 ONHADLRFUHGNIQ-PFONDFGASA-N 353.378 3.255 10 50 FGCA CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 170604533 KQRADAOHROIMCG-UHFFFAOYSA-N 368.437 3.184 10 50 FGCA CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2897946 IYUVSAXQBIVTIN-UVTDQMKNSA-N 365.476 3.240 10 50 FGCA C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1207782 RHSYBTCGCHMKMY-LWYMYGMPSA-N 372.265 3.123 10 50 FGCA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(O)c1 1202981 RQHGJKBXOCSSNM-DHDCSXOGSA-N 370.455 3.232 10 50 FGCA Cc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3O)C2)CC1 23373023 HRJFUTJVBHPAMT-NRFANRHFSA-N 365.521 3.487 10 50 FGCA CN(C)c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 47303319 WAJIWXDUHASCRM-UHFFFAOYSA-N 351.494 3.281 10 50 FGCA COCCc1noc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 426386868 HESPYABVPMFLCR-CQSZACIVSA-N 368.437 3.157 10 50 FGCA COc1cc([N+](=O)[O-])cc(CN2CCN(c3cc(C)ccc3C)CC2)c1O 4980358 FXXDSHPJEUEFEE-UHFFFAOYSA-N 371.437 3.248 10 50 FGCA CCn1c2c(c3cc(C(=O)N4CC[C@H](CN(C)C)C4)ccc31)CCCC2=O 670441962 CHIUCTWDJRIJFC-OAHLLOKOSA-N 367.493 3.204 10 50 FGCA c1ccc([C@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)CCN2)cc1 1506412443 DJIKBUGBBOIDJH-HXUWFJFHSA-N 365.477 3.031 10 50 FGCA CCCCS(CCCC)=C1C(=O)NC(=O)N(c2ccccc2F)C1=O 13774561 ADFBWGXIIFIZHF-UHFFFAOYSA-N 366.458 3.450 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 55561918 QJSAPOKJPVSLBH-UHFFFAOYSA-N 359.857 3.109 10 50 FGCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1 2891653 LYYMMLNTEGASMV-UHFFFAOYSA-N 361.697 3.098 10 50 FGCA O=c1/c(=C/c2ccc(N3CCCC3)c(F)c2)sc2nc3ccccc3n12 12841360 RLZLUCFBTYEHOM-PDGQHHTCSA-N 365.433 3.196 10 50 FGCA COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3O)[C@H](C)C(=O)[C@H]2C)c1O 4180559 LWFFAIDGWKLELR-GNTOHDJUSA-N 371.433 3.342 10 50 FGCA COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3)CC2)cc1 4791570 BLBMCQZYNKYIHZ-UHFFFAOYSA-N 368.481 3.029 10 50 FGCA CCc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc(=O)[nH]1 97578656 OKJGWFPCRLEYNK-OAHLLOKOSA-N 353.466 3.104 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)c(C)c1 1175448 ZNBBVIDYABDHCO-MDWZMJQESA-N 370.792 3.329 10 50 FGCA O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 2302272 VJXKJXOOKLQHFZ-OQLLNIDSSA-N 371.439 3.453 10 50 FGCA COc1ccc(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)cc1 2852544 OLDMOQPOOYWZHO-UHFFFAOYSA-N 355.438 3.366 10 50 FGCA CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 15011447 HPDAJRYWWAEJPX-UXBLZVDNSA-N 374.281 3.384 10 50 FGCA CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)C(F)(F)F)cc2)CC1 1857780560 RMLPAPSIHXMIIB-AWEZNQCLSA-N 360.376 3.339 10 50 FGCA O=c1oc2c(CN3CCOCC3)c(O)ccc2cc1-c1ccc(F)cc1 20418935 FZAQDNHJRXPPCD-UHFFFAOYSA-N 355.365 3.137 10 50 FGCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCCC1 2381775 MJNXKPZGVAHYAD-ACCUITESSA-N 366.533 3.352 10 50 FGCA Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccc2c(c1)OCCO2 1875254733 KAEZAYWAMUFLNQ-UHFFFAOYSA-N 363.417 3.190 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1233288 RMFAKWGDVHOSGV-XNTDXEJSSA-N 356.765 3.015 10 50 FGCA CCOCCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1778883 WGQGFRHDFKQJPZ-UHFFFAOYSA-N 368.385 3.419 10 50 FGCA CC[C@]1(O)CCC[C@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@H]21 2356153499 JPAFXGMZNDKGOR-NBCNXNJRSA-N 372.509 3.257 10 50 FGCA COc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c(O)c1 19770626 IOPMTCPHYXDVFR-HXUWFJFHSA-N 352.478 3.424 10 50 FGCA CCCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC[C@H](C)C2 2777428 HHHVETGPOKQRSS-NSHDSACASA-N 367.467 3.331 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(OC)c(C(=O)O)c3)[C@H](C)C2)cc1 72125677 KBNCXEUFRRWZGM-OAHLLOKOSA-N 370.449 3.113 10 50 FGCA [N-]=[N+]=NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 98088082 ZITYCUDVCWLHPG-MRXNPFEDSA-N 352.350 3.289 10 50 FGCA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(Cl)ccc2O)C1 12298860 SJTBVMMPYGIAGM-GOSISDBHSA-N 355.862 3.227 10 50 FGCA COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(OC)c1 17028441 QQHCHEMEOBPCQB-MHWRWJLKSA-N 366.373 3.206 10 50 FGCA CCOC(=O)N1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 19795196 CVIFGAPCLFBVOL-UHFFFAOYSA-N 358.413 3.472 10 50 FGCA CCOC(=O)c1cc(C(=O)Nc2ccccc2/[N+]([O-])=N\C(C)(C)C)nn1C 103679864 JIXQWKKHNZENHC-XTQSDGFTSA-N 373.413 3.242 10 50 FGCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(C)o4)C3)CC2)cc1 19791248 DXBGZNCVNVHPER-HXUWFJFHSA-N 369.509 3.383 10 50 FGCA Cc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c(C)n1-c1ccccn1 131189580 NAGUTCDJMCYLMG-UHFFFAOYSA-N 362.389 3.072 10 50 FGCA COc1ccc(N2CCN(C(=S)c3cccc([N+](=O)[O-])c3)CC2)cc1 3105577 KTJXCGWWUOSMBM-UHFFFAOYSA-N 357.435 3.101 10 50 FGCA C[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1 67894991 DRZCJFRTJBFIPH-CYBMUJFWSA-N 370.478 3.444 10 50 FGCA CNC(=O)c1cccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1 1506429314 WYOUDPNPWDBUEE-UHFFFAOYSA-N 363.505 3.294 10 50 FGCA CN(C)c1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1Br 1121649 KROHJBLFSAQABJ-FMIVXFBMSA-N 361.195 3.453 10 50 FGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCCc1ccccc1 5044813 AVOYEGZLLBRITC-RGEXLXHISA-N 364.405 3.424 10 50 FGCA Cc1nn(C)c(C)c1[C@H](C)NC1CCN(c2ccc3c(c2)OCO3)CC1 1506407467 WGACTJMOLWWYNL-ZDUSSCGKSA-N 356.470 3.085 10 50 FGCA CCN1C(=O)N=C(O)/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 20119649 PKCSSTUWGJHRHQ-WZUFQYTHSA-N 362.183 3.252 10 50 FGCA COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=N)NC3=O)c2C)cc1 5073310 ZVXLYYLPABPRSV-OQLLNIDSSA-N 355.419 3.019 10 50 FGCA CCCC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 2470702 LJHWCRCDVDMSTC-MRXNPFEDSA-N 355.350 3.447 10 50 FGCA COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4124200 FOCPDNCUJACZMK-SNVBAGLBSA-N 367.467 3.489 10 50 FGCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 8768710 AWVLKCXLDZZVLI-ZROIWOOFSA-N 352.346 3.167 10 50 FGCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 21487201 KTYGAQCRLRUJII-GUNGLEHYSA-N 360.460 3.478 10 50 FGCA C[C@@H](NC(=O)c1cc(C2CCC2)no1)c1ccc(N2CCOCC2)cc1 2325784931 UWUNNHGLGWNWRA-CQSZACIVSA-N 355.438 3.270 10 50 FGCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 4613964 VRJCVLURZYXJNO-MNOVXSKESA-N 365.451 3.243 10 50 FGCA O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 5043651 LLPPRWQGHVXABR-KRWDZBQOSA-N 352.390 3.325 10 50 FGCA COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2Cl)c1O 11871427 MMCCGWSQEVVONN-BBRMVZONSA-N 358.825 3.044 10 50 FGCA Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 68462501 PXYCMIWIZAWLJX-QGZVFWFLSA-N 374.506 3.180 10 50 FGCA CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 13670799 YTVZTMQLRUUXAH-UHFFFAOYSA-N 362.520 3.487 10 50 FGCA CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2855476 SJURQQDDQVVPCY-UHFFFAOYSA-N 355.438 3.448 10 50 FGCA CCOc1cc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)ccc1O 13810078 RNAPPBTXKQZSPN-DHDCSXOGSA-N 359.422 3.120 10 50 FGCA CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)C(C)(C)C2)n(C)n1 82120857 QAECRDMDNWPMPX-UHFFFAOYSA-N 370.497 3.122 10 50 FGCA CCn1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cn1 727247226 RUBMZDZZPKALOP-UHFFFAOYSA-N 374.491 3.316 10 50 FGCA Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C1CC1 3462520 YGLABGRETOIAKZ-GZTJUZNOSA-N 355.438 3.234 10 50 FGCA CCCn1cnnc1[C@@H](C)NC1CCN(c2ccc3c(c2)CCC3)CC1 1506396990 QCHJHCYKKWIKMF-MRXNPFEDSA-N 353.514 3.496 10 50 FGCA COc1ccc(N2CC3(CN(Cc4nc5c(s4)CCCC5)C3)C2)cc1 2100482472 BLNHTZSARXYYBF-UHFFFAOYSA-N 355.507 3.353 10 50 FGCA CCOc1ccc(CN2CCN(Cc3cc(OC)ccc3O)CC2)cc1 19533316 XADYZQGTLGAUNC-UHFFFAOYSA-N 356.466 3.117 10 50 FGCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccco1 19851661 WJGNCBWDZIHBJH-NQDFZQDQSA-N 359.179 3.060 10 50 FGCA COCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 2816281 TVNAKEGUFPWDNQ-FLIBITNWSA-N 358.282 3.297 10 50 FGCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccccc2)C1=O 1170299 JECSQJBXFIBASP-NBVRZTHBSA-N 371.396 3.452 10 50 FGCA Oc1ccc(Br)cc1CN1CCN(Cc2ccccc2)CC1 19634654 ZXMWBZLEMBJXPN-UHFFFAOYSA-N 361.283 3.473 10 50 FGCA CCOC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 36007028 WOHBAKBGVKUKMH-HXUWFJFHSA-N 354.450 3.122 10 50 FGCA CCN(CC)C(=O)N(C)[C@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 5608734 IUDWQVQNXFHEFN-ILZDJORESA-N 368.525 3.284 10 50 FGCA COc1ccc(N2CCCN(C(=O)[C@@H]3[C@H](C(F)F)C3(C)C)CC2)cc1 1875292776 SFCTWCOIMJTZFY-CVEARBPZSA-N 352.425 3.271 10 50 FGCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)NC2=S)cc1 2877870 JXJJEPFSIALQDX-LFIBNONCSA-N 370.405 3.056 10 50 FGCA CCOc1cc(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1C(C)C 2993201 VDQBEVCJCVMMKJ-UHFFFAOYSA-N 360.479 3.116 10 50 FGCA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 823489 PICRLYPXRVRMMZ-SFHVURJKSA-N 357.454 3.256 10 50 FGCA C[C@@H](NC(=O)c1cc(COc2ccccc2F)[nH]n1)c1ccccc1O 67868717 CPSXXLFNVVFQLF-GFCCVEGCSA-N 355.369 3.324 10 50 FGCA Cn1cc(C[N@]2C[C@H]2COc2ccc(N3CCCCC3)c(Cl)c2)cn1 1875382221 VFVQCMCOXVEIGJ-UPCLLVRISA-N 360.889 3.327 10 50 FGCA COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)ccc1O 240871460 IKQPIVIJRKZLKR-MRXNPFEDSA-N 370.405 3.116 10 50 FGCA Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncc(Br)cn1 270838789 KHIQNLOCRSCEFP-AWEZNQCLSA-N 364.243 3.130 10 50 FGCA COc1ccc(N2CCN(C(=S)Nc3cc(F)cc(F)c3)CC2)cc1 4741407 QIWKZTCJIRMLMP-UHFFFAOYSA-N 363.433 3.492 10 50 FGCA Cc1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 20393742 AXUKCNUFWFNSMK-UHFFFAOYSA-N 364.445 3.221 10 50 FGCA biogenic Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1O 11995432 HPZXGZCRGZNVMN-UHFFFAOYSA-N 353.378 3.111 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 101846503 VQNQQBXEORLNLV-VKJFTORMSA-N 371.418 3.069 10 50 FGCA CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1 15659852 BCGMEALSKNSCJD-ZROIWOOFSA-N 359.788 3.007 10 50 FGCA CC(C)Cc1noc([C@@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)n1 67692473 YQMOBRVKTHTSRY-CQSZACIVSA-N 372.469 3.316 10 50 FGCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 4720650 UXMAFAYQPNMMER-SJORKVTESA-N 369.339 3.488 10 50 FGCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c1 1214485 BKGRDMNSHKXTPU-LICLKQGHSA-N 359.385 3.451 10 50 FGCA biogenic CC(C)Cc1noc([C@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)n1 67692476 YQMOBRVKTHTSRY-AWEZNQCLSA-N 372.469 3.316 10 50 FGCA COC(=O)[C@@H](C)Oc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1126542 BHAKCDFPPMVMTL-LLVKDONJSA-N 369.329 3.309 10 50 FGCA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCOc2cc(N(C)C)ccc21 173185423 OCMZPOUJETWBJF-UHFFFAOYSA-N 370.497 3.190 10 50 FGCA COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3O)[C@H](C)C(=O)[C@@H]2C)c1O 53253851 LWFFAIDGWKLELR-KZBLUPIWSA-N 371.433 3.342 10 50 FGCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)cc1 1196012 WWSMJDGPNGLJIJ-CCAPLTMGSA-N 361.825 3.192 10 50 FGCA Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 65364568 XOCRWOHFMVRFAM-UHFFFAOYSA-N 368.477 3.144 10 50 FGCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 5048100 JHEQIHIAKPKIIW-UHFFFAOYSA-N 363.178 3.408 10 50 FGCA CCC(=O)N1N=C(c2cc(OC)ccc2OC)C[C@@H]1c1ccccc1O 253433645 ZPQXKTANDORBJL-QGZVFWFLSA-N 354.406 3.497 10 50 FGCA COc1ccc(N2CCN(c3nc(C)ccc3C(=O)O)CC2(C)C)cc1 96166464 CFDOUXIRPZIALQ-UHFFFAOYSA-N 355.438 3.202 10 50 FGCA Cc1cc(C)nc(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)n1 1506404394 XOEUTBSWFXJOPI-UHFFFAOYSA-N 350.510 3.383 10 50 FGCA CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1184358 BKZFZSRSNMYIDX-RAXLEYEMSA-N 351.449 3.151 10 50 FGCA NC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 2884492 DVEWQLDDFLVLMR-UHFFFAOYSA-N 352.365 3.400 10 50 FGCA COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c(OC)c1 100293951 RXUQHUTZQLMZFB-LICLKQGHSA-N 367.361 3.418 10 50 FGCA COc1ccc(C2=NN[C@@H](c3cc(Cl)cc4c3OCOC4)C2)c(O)c1 13124860 ZJVQYXNXKQVDCA-MRXNPFEDSA-N 360.797 3.359 10 50 FGCA biogenic COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(O)c1 657302 BMBYSVBHSJWZEP-BOPFTXTBSA-N 353.349 3.409 10 50 FGCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6007511 PMSGPLROFRAQCY-SERMCNLOSA-N 371.480 3.233 10 50 FGCA COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(C)c2OC)c1 6715885 XRWMZFQUOLIMDL-UHFFFAOYSA-N 356.422 3.101 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 6212425 NIDVNKUYNQFOFK-NTEUORMPSA-N 356.765 3.020 10 50 FGCA COC(=O)c1cc2c(/C=C3/SC(=S)N(C)C3=O)ccc(OC)c2o1 749016475 HFHVOZWADXYHNC-WUXMJOGZSA-N 363.416 3.059 10 50 FGCA Cc1cc(I)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 12436998 QTTDZDKFEMOZEY-BREBYQMCSA-N 355.175 3.138 10 50 FGCA COc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)O)C1=O 13262457 YKTAUBXUHMMMHG-ZSOIEALJSA-N 359.428 3.134 10 50 FGCA O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\C=C\c1ccco1 15836390 UGUVOIURXLEMCW-NTOUICHMSA-N 359.179 3.060 10 50 FGCA COc1cc(O)c([C@@H]2CC(c3cccs3)=NN2C(C)=O)cc1[N+](=O)[O-] 253426839 IZCZERPXNZKXEL-LBPRGKRZSA-N 361.379 3.068 10 50 FGCA Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)[nH]c3C)C(=O)NC2=S)c1 634717 SMGLVRMRUNCMGK-CXUHLZMHSA-N 353.447 3.080 10 50 FGCA O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 714467 ZDMPIRIBTNKPIS-UHFFFAOYSA-N 367.213 3.168 10 50 FGCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(N(C)C)cc1 660159 MDBCIBLTTDAACM-PDGQHHTCSA-N 366.417 3.218 10 50 FGCA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccco1 1137528 FWSZMLOPRAFYNW-PTNGSMBKSA-N 369.373 3.174 10 50 FGCA Cc1cc(I)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21 4817418 QTTDZDKFEMOZEY-CWSCBRNRSA-N 355.175 3.138 10 50 FGCA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4409775 ZOXBGFUBFNJRKC-LJQANCHMSA-N 364.449 3.328 10 50 FGCA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1297834 HCVVRYGKZYZYAO-SFHVURJKSA-N 366.490 3.184 10 50 FGCA Oc1ccc(-c2ncccn2)cc1CN1CCN(C2CCCCC2)CC1 20999115 LMHSBCFKFHXGBU-UHFFFAOYSA-N 352.482 3.300 10 50 FGCA Cc1nc([C@@H]2CCCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)n[nH]1 1506411238 HLCWJFRTVZNZMT-LJQANCHMSA-N 365.525 3.450 10 50 FGCA CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1750251 COOOLHCLVDWWEW-KAMYIIQDSA-N 365.476 3.240 10 50 FGCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1F 2892740 XFOZDUUCNGWUNS-XFXZXTDPSA-N 359.744 3.058 10 50 FGCA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2O)NC(=O)N1C 758214 PUVXFEZDBAWLIU-GOSISDBHSA-N 351.406 3.309 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 55561993 YFJNYQJJHGZQGG-UHFFFAOYSA-N 359.857 3.109 10 50 FGCA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4139098 CARROEYJMVAVET-GOSISDBHSA-N 368.412 3.158 10 50 FGCA CC(C)C(=O)N1CCC[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 827926845 CHOXMJJLCJUAOZ-OAQYLSRUSA-N 369.553 3.381 10 50 FGCA COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S 2828669 XJCMZVCKWGGFDQ-VBKFSLOCSA-N 362.520 3.443 10 50 FGCA COc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccco3)C1=O)C(=O)N2 12436638 BIDAJWNCADRSMN-YPKPFQOOSA-N 372.427 3.012 10 50 FGCA O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 828138 QQAOFKJHOUFHKI-UHFFFAOYSA-N 367.213 3.168 10 50 FGCA O=C1C(=O)c2cc(Br)cnc2-c2ncc(Br)cc21 143460492 IFZAYEPOLKDKNV-UHFFFAOYSA-N 367.984 3.048 10 50 FGCA CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 2832511 IWDWDTZRERPPIR-XYOKQWHBSA-N 371.867 3.415 10 50 FGCA CN(C)c1ccc(CN2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)cc1 248616554 LYKVYTSXMGUOOH-QXAKKESOSA-N 359.514 3.488 10 50 FGCA CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 7495394 RAKXCKMUYQSLJT-LJQANCHMSA-N 372.440 3.341 10 50 FGCA COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C 13648089 BFLUGAQRFBZKJZ-UHFFFAOYSA-N 360.479 3.082 10 50 FGCA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(N3CCCCC3)c(Cl)c2)cn1 1875382220 VFVQCMCOXVEIGJ-GYCJOSAFSA-N 360.889 3.327 10 50 FGCA C[C@@H]1[C@@H](N/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)CCC[C@H]1C 245247793 XJMUZMBWWFXJKP-YNCIDNRCSA-N 355.438 3.404 10 50 FGCA C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 72117400 XZRDGQXIXXPHAQ-CVEARBPZSA-N 372.440 3.307 10 50 FGCA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCN(C)[C@@H](C)C3)cc2)c1C 216978405 JLTXBNWRBXPWOZ-HNNXBMFYSA-N 353.466 3.073 10 50 FGCA CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S 1188738 PBBNLZHFCUAHHX-WCIBSUBMSA-N 372.265 3.399 10 50 FGCA CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccccc4)c23)CC1 19881324 XSWLFKQKZHGNDU-UHFFFAOYSA-N 350.418 3.117 10 50 FGCA CCOC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc(OC)c1O 55292174 WMODZRFLUYKGJP-ZDUSSCGKSA-N 372.259 3.081 10 50 FGCA COc1ccc(N2CCN(C(=O)COc3cc(C)ccc3Cl)CC2)cc1 7256134 POGRXFJJIWGMMX-UHFFFAOYSA-N 374.868 3.385 10 50 FGCA COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@@H]2C)c1O 13142244 LWFFAIDGWKLELR-RHMWETHNSA-N 371.433 3.342 10 50 FGCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 12382991 AAVDBLWESGINDL-PDGQHHTCSA-N 364.401 3.485 10 50 FGCA COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 912519 RCPIYZLBMILTBI-UHFFFAOYSA-N 360.841 3.076 10 50 FGCA COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1084629 MOORPLHGYGULKX-MDWZMJQESA-N 363.200 3.463 10 50 FGCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC1 1217435 FYAPNEOEZZUFKC-ACCUITESSA-N 366.533 3.352 10 50 FGCA COC(=O)c1cc2ccccc2c(CN2C(=O)c3ccccc3C2=O)c1O 1080694 XJYILUNEZMIITE-UHFFFAOYSA-N 361.353 3.128 10 50 FGCA CCc1nc(C)c(C(=O)N2CCN(c3ccc(OC)cc3)C(C)(C)C2)o1 82108555 DEYKYDQPNZCNMX-UHFFFAOYSA-N 357.454 3.295 10 50 FGCA CCOc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1[N+](=O)[O-] 1149099 YLUOKKMRTLYOCJ-UHFFFAOYSA-N 363.366 3.239 10 50 FGCA CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1786491 VRKITGGQGSFAON-FNWMBBJUSA-N 367.517 3.403 10 50 FGCA Cc1ccccc1N1C(=O)/C(=C\NCCC2=CCCCC2)C(=O)NC1=S 100401418 IAZCMOFNVLKDJA-SSZFMOIBSA-N 369.490 3.107 10 50 FGCA CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC[C@@H](CC)C2 648067 WGLJBHVFGJZUPR-LLVKDONJSA-N 367.467 3.331 10 50 FGCA O=C1NC(=S)S/C1=C/c1cc(Br)c(Br)o1 1234187 QZJDFLJYJWSQMW-GORDUTHDSA-N 369.059 3.293 10 50 FGCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 15724162 UXTQDDPMWCKPPN-ZROIWOOFSA-N 361.170 3.050 10 50 FGCA CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 1786442 LXMBGQDOVMXPCX-NASPGAHYSA-N 351.449 3.150 10 50 FGCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 5711588 WDJAKWMNSLPQDL-XNTDXEJSSA-N 370.455 3.247 10 50 FGCA COc1ccc(N2CCN(Cc3cnc(N(C)C)s3)CC2(C)C)cc1 72141905 SXHGWMDRSUWBDA-UHFFFAOYSA-N 360.527 3.319 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3Cl)CC2)cc1 12380459 ABYWVRCLQHRPIM-HNNXBMFYSA-N 374.868 3.465 10 50 FGCA COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)cc1 1125448 REHUEBOTVIRZJN-UHFFFAOYSA-N 374.868 3.385 10 50 FGCA O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccco1 1178334 DNEOPHCCLCIPQW-GHXNOFRVSA-N 367.213 3.418 10 50 FGCA Oc1cc(OCc2ccccc2)ccc1CN1CC[C@](O)(C(F)(F)F)C1 183093479 HBSRDLISELISPL-GOSISDBHSA-N 367.367 3.470 10 50 FGCA Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 772997286 FXKYASNDDQGFGT-GFCCVEGCSA-N 367.478 3.466 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccc(SC)cc3OC)CC2)cc1 1140795 OYECZRNUALFJNZ-UHFFFAOYSA-N 372.490 3.388 10 50 FGCA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 4676184 XYBPTBZKGRLFBV-HKJJFUAXSA-N 374.462 3.275 10 50 FGCA CN(CC[C@@H](O)c1ccccc1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506402006 LIXYCLRJXXNIET-HXUWFJFHSA-N 368.477 3.440 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C)(C(=O)C3)C4(C)C)CC2)cc1 727914 OEMWHHCDKIGSNN-FCHUYYIVSA-N 370.493 3.129 10 50 FGCA CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)N=C1O 8739143 LXHDJICPKGVGRD-LFIBNONCSA-N 351.406 3.075 10 50 FGCA CCOC(=O)[C@@]1(c2ccccc2)N(c2ccc(OC)cc2)CC[C@@]1(C)O 601200739 MOXOBTFCZWMSCK-NHCUHLMSSA-N 355.434 3.115 10 50 FGCA COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3F)CC2)cc1 71376326 BCVLIXHDZWEWIR-UHFFFAOYSA-N 362.832 3.379 10 50 FGCA COCCc1noc([C@H](C)NC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 426386867 HESPYABVPMFLCR-AWEZNQCLSA-N 368.437 3.157 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1 752336 AYKZAXRJIVYYNF-UHFFFAOYSA-N 351.244 3.373 10 50 FGCA CC(C)CC1=NN2C(=N)/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N=C2S1 4818791 DNBXFJJTSOXUJN-OTDRQLNTSA-N 357.395 3.260 10 50 FGCA CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccncc1C(F)(F)F 170619875 SFAZSOYUZKEHOY-UHFFFAOYSA-N 351.328 3.206 10 50 FGCA CCOc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 4980549 UETUGGMPFYLDFE-UHFFFAOYSA-N 357.410 3.021 10 50 FGCA Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)NC2=S)cc1 1208432 RPMZFZCMTZXHFQ-MHWRWJLKSA-N 361.426 3.308 10 50 FGCA Cc1c(C(=O)NCCc2noc(C(F)(F)F)n2)n(C)c2c(C)cccc12 426370289 FYAMGZWGIZQUSZ-UHFFFAOYSA-N 366.343 3.169 10 50 FGCA COc1ccc(N2CC3(CN(Cc4cnn(Cc5ccccc5)c4)C3)C2)cc1 2100556840 JSVDJZYBIYMWDT-UHFFFAOYSA-N 374.488 3.262 10 50 FGCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\Nc1cccc(F)c1 108154785 OOHCPABTCKKSDE-XFXZXTDPSA-N 359.744 3.058 10 50 FGCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCCN(C)C 100163525 CWODUCOQOJAWMK-BUHFOSPRSA-N 371.510 3.224 10 50 FGCA CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6007513 PMSGPLROFRAQCY-OYGDSYQHSA-N 371.480 3.233 10 50 FGCA [N-]=[N+]=N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 108644360 QJCYGENXFLOOKP-INIZCTEOSA-N 352.350 3.289 10 50 FGCA CN(C)c1ccc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 184240855 LYKVYTSXMGUOOH-YTQUADARSA-N 359.514 3.488 10 50 FGCA CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2ccccc2O)CC1 12074446 HUVJIYXAHCDCOJ-UHFFFAOYSA-N 356.470 3.410 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2(C)C)cc1 77342078 ZSLUTWQJOVAUQD-MRXNPFEDSA-N 360.498 3.328 10 50 FGCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 5061823 CKRGQCVSRAIKTA-XFFZJAGNSA-N 365.172 3.345 10 50 FGCA O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccccc1Cl 5197536 QFGICOMQJKEBGY-XYOKQWHBSA-N 364.835 3.479 10 50 FGCA Cc1ccc2c(C3=CCN(c4ccc(C(=O)NC5CC5)nn4)CC3)c[nH]c2c1 2325738608 JWIRIPGZHHUIOQ-UHFFFAOYSA-N 373.460 3.452 10 50 FGCA COc1ccc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)cc1OC 952991888 WZRLZUGJKCXUPS-UHFFFAOYSA-N 370.449 3.191 10 50 FGCA COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 1150299 BHDRVFPDQOOMGY-LFIBNONCSA-N 374.462 3.195 10 50 FGCA CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 16667776 LQQCMTBFJWDVOE-SDNWHVSQSA-N 369.808 3.072 10 50 FGCA COc1ccc(OC)c([C@@H](O)c2coc3ccc(O)c(CN(C)C)c23)c1 755079 CRJMEUQJJQEPRN-HXUWFJFHSA-N 357.406 3.299 10 50 FGCA COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 13942069 JKNUTADPMFBFTQ-DHDCSXOGSA-N 370.455 3.270 10 50 FGCA O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1 1062677 BWEFKEJJNLSXSQ-UHFFFAOYSA-N 351.145 3.003 10 50 FGCA CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCC2)cc1 2854887 JDZUNXRLHIODSB-CAPFRKAQSA-N 363.461 3.146 10 50 FGCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc2ccccc2c1 5741055 ZZOWBZCJTFMIAN-AQTBWJFISA-N 357.369 3.419 10 50 FGCA CCc1cc2c3c(c1)/C(=C1/SC(N)=NC1=O)C(=O)N3C(C)(C)C=C2C 12413203 BGPIECYCBAASLE-SQFISAMPSA-N 353.447 3.090 10 50 FGCA C/C(=C1/SC(=S)N(CC(=O)O)C1=O)c1cccc(Br)c1 2700352 LKARXJWIKJXNIK-XFFZJAGNSA-N 372.265 3.125 10 50 FGCA C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 72115383 CCUVXFSFEFLONV-IAGOWNOFSA-N 354.450 3.168 10 50 FGCA OCC[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1C1CCCC1 23359276 HGTNYTGPASFTJE-IBGZPJMESA-N 354.494 3.357 10 50 FGCA Oc1ccccc1C(=S)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 5060474 ZABDBVAQPMPGBL-INIZCTEOSA-N 366.364 3.429 10 50 FGCA CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC[C@H](CC)C2 648066 WGLJBHVFGJZUPR-NSHDSACASA-N 367.467 3.331 10 50 FGCA Cc1cc(I)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 148559053 JMRRIKROUNXRLA-ZDMBXUJBSA-N 355.175 3.138 10 50 FGCA COc1ccccc1NC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 5128508 VVAZCDNUSLHIOM-UHFFFAOYSA-N 372.380 3.305 10 50 FGCA CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1O 13914693 CDXMJJGNLOEUFU-SXGWCWSVSA-N 366.373 3.295 10 50 FGCA Nc1c(C(=O)Nc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O 4007379 SZBTXYFDHIGBFA-UHFFFAOYSA-N 358.353 3.002 10 50 FGCA COc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1O 4725585 XKPUABBFALKOCC-MRXNPFEDSA-N 368.477 3.490 10 50 FGCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1 9263179 HNINHEABYGLJHI-BOPFTXTBSA-N 350.374 3.182 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 2628277 MPJIIDBQZHBNQR-UHFFFAOYSA-N 360.841 3.320 10 50 FGCA COc1cccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c1O 23360924 XDDGCTMWRQZZFA-HXUWFJFHSA-N 352.478 3.424 10 50 FGCA Fc1ccccc1OCCNC1CCN(c2ccc3c(c2)OCO3)CC1 952984483 UOUPONKZTNVSKF-UHFFFAOYSA-N 358.413 3.192 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 13616201 SMSYWNMQZNOHOQ-MHWRWJLKSA-N 370.792 3.323 10 50 FGCA c1ccc([C@H]2OCC[C@@H]2CNCc2ccc(N3CCOCC3)cc2)cc1 328634523 UBRMCRLIDYCOSZ-IFMALSPDSA-N 352.478 3.391 10 50 FGCA COCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 2810280 UXIFNSJEAJUOOO-XFXZXTDPSA-N 370.232 3.312 10 50 FGCA O=C(C1CC1)N1CCC[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506416187 UYBIUUAUPULUDY-OAQYLSRUSA-N 367.537 3.135 10 50 FGCA Cc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 2837544 VYQHAVCFOCWULI-PTNGSMBKSA-N 351.431 3.047 10 50 FGCA CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 170597576 ITSCTYZBQZMXRA-ZIAGYGMSSA-N 368.499 3.098 10 50 FGCA COc1ccc(Cl)cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 1061643 RTTZFHCLVRJUTM-UHFFFAOYSA-N 374.780 3.042 10 50 FGCA C[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 65362187 DELJYFPVVAHZBZ-KRWDZBQOSA-N 369.534 3.235 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1 13519662 OWXREVNYKLZXII-DHDCSXOGSA-N 369.471 3.230 10 50 FGCA O=C(Cc1ccc(-n2cccn2)cc1)NCc1ccc(N2CCCC2)cc1 915644668 JGFQAUJQKDSYIF-UHFFFAOYSA-N 360.461 3.331 10 50 FGCA C[C@H](NC(=O)c1cc(COc2ccccc2F)[nH]n1)c1ccccc1O 67868716 CPSXXLFNVVFQLF-LBPRGKRZSA-N 355.369 3.324 10 50 FGCA O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/Nc1ccc(F)cc1 5649800 OLESFQDNHFDXHZ-NTEUORMPSA-N 373.771 3.054 10 50 FGCA CN(C)c1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 100745742 SPUNTSGGOSQNQA-KRWDZBQOSA-N 352.829 3.449 10 50 FGCA Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 100369311 ZAPPTKCNVSFYAP-BOPFTXTBSA-N 363.417 3.499 10 50 FGCA O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)SC(=S)N1Cc1ccco1 15660050 WEEITMDTXSXAGR-QPEQYQDCSA-N 362.388 3.295 10 50 FGCA OC1CCN(c2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)CC1 850406223 XVRHQCGPDQBZJL-UHFFFAOYSA-N 368.506 3.389 10 50 FGCA Cn1cc(C[N@]2C[C@@H]2COc2ccc(N3CCCCC3)c(Cl)c2)cn1 1875382222 VFVQCMCOXVEIGJ-VOIUYBSRSA-N 360.889 3.327 10 50 FGCA CCCc1oncc1C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1 91663867 SDUAEOKYYMTJQL-UHFFFAOYSA-N 357.454 3.377 10 50 FGCA O=C1/C(=C\c2ccc([N+](=O)[O-])s2)C(O)=NC(=S)N1c1ccccc1 13765756 VYFLSDOIBJEZJP-FLIBITNWSA-N 359.388 3.328 10 50 FGCA COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 33322150 MJPHNMMYPBVBFK-LDADJPATSA-N 350.374 3.045 10 50 FGCA CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 13582398 NHGZDLIFVXVEEF-UHFFFAOYSA-N 354.450 3.365 10 50 FGCA CC(C)CNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 19898247 FLKXKRRYLPJHFK-XSFVSMFZSA-N 365.477 3.296 10 50 FGCA COc1ccccc1-c1coc2c(CN3CCOCC3)c(O)ccc2c1=O 19571855 LGCSEAKELVCXQB-UHFFFAOYSA-N 367.401 3.006 10 50 FGCA biogenic COc1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C/C(C)=S)S2 3145423 LBEWJRSAUSTFRP-ZSOIEALJSA-N 359.494 3.116 10 50 FGCA Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2Cc3ccncc3C2)c1 1875380279 KLSMIHCHZNIFNC-HXUWFJFHSA-N 359.429 3.199 10 50 FGCA O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccn(CC(F)F)n1 790945010 AYZNEKGYFGSBDL-UHFFFAOYSA-N 368.347 3.110 10 50 FGCA Oc1ccc2c(c1CN1CCC([C@@H](O)c3ccc(F)cc3)CC1)OCO2 1875292990 ZFBMSJVQFSAEQC-IBGZPJMESA-N 359.397 3.206 10 50 FGCA COc1ccc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1C 226095362 BFRGOKOTFKLBGF-MDWZMJQESA-N 360.772 3.258 10 50 FGCA C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1207778 RHSYBTCGCHMKMY-LOBLAWFCSA-N 372.265 3.123 10 50 FGCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 217683393 JXLVSBCVKUJJGM-SXGZJXTBSA-N 363.417 3.113 10 50 FGCA COC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C 4614287 WMXOYDOYKQFMPB-ATVHPVEESA-N 350.374 3.045 10 50 FGCA COc1ccc(OC)c([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)c1 5702462 BROZPKRZPREIPJ-FQEVSTJZSA-N 357.406 3.323 10 50 FGCA COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1O 1178046 TWZCJYRQDHGANS-BOPFTXTBSA-N 365.385 3.278 10 50 FGCA Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 980483 SFMYUAKECPGLJX-UHFFFAOYSA-N 367.474 3.001 10 50 FGCA CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 26771511 BKZFZSRSNMYIDX-JLHYYAGUSA-N 351.449 3.151 10 50 FGCA Cc1ccccc1N1CCN(Cc2cc(-c3ncccn3)ccc2O)CC1 64045187 OYJKUKZCMJYYCB-UHFFFAOYSA-N 360.461 3.480 10 50 FGCA COc1ccc(N2CCN(c3nc(C)nc4onc(C)c34)CC2(C)C)cc1 77436734 RPOAWSACEWSEBO-UHFFFAOYSA-N 367.453 3.348 10 50 FGCA CC(C)Oc1ccc(Br)cc1C=C1C(=O)OC(C)(C)OC1=O 1130578 XYRVMOSBSXHUDG-UHFFFAOYSA-N 369.211 3.456 10 50 FGCA Cc1cccc2c1NC(=O)/C2=C1/SC(=S)N(Cc2ccco2)C1=O 4722203 UIPSMYLRFKILTK-WYMLVPIESA-N 356.428 3.312 10 50 FGCA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(N(C)C)cc1 1113078 IRZCIGMOYMHWKF-IBGZPJMESA-N 368.506 3.417 10 50 FGCA aggregator C[C@H](c1nc(-c2ccc(-n3cccc3)cc2)no1)n1cc([N+](=O)[O-])cn1 4623222 BUUODEYPFQRBCU-GFCCVEGCSA-N 350.338 3.241 10 50 FGCA Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 2915395 MJWKICVEQKZVSL-OQLLNIDSSA-N 356.834 3.480 10 50 FGCA CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 111995482 RAZZBTWKRNIBDG-UHFFFAOYSA-N 373.478 3.436 10 50 FGCA CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2ncccc12 2325701003 DBEPVFOPPVUURK-UHFFFAOYSA-N 365.481 3.403 10 50 FGCA Cc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 100106643 JEQJDDFIAFJQER-UVTDQMKNSA-N 355.781 3.227 10 50 FGCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)c1 1220802 ZRJRUKFROXUCSD-MDWZMJQESA-N 356.765 3.020 10 50 FGCA COc1cccc(-n2c(C)cc(C(=O)CSc3nccc(=O)[nH]3)c2C)c1 17903951 CSJXZDOYCDOVAJ-UHFFFAOYSA-N 369.446 3.161 10 50 FGCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 4599053 ZWNJQTKNTVWTLI-SFQUDFHCSA-N 374.352 3.106 10 50 FGCA CCOc1cc(Br)cc(/C=C2\SC(=S)N(C)C2=O)c1O 16671504 JVRCHCRAIKVCGC-YHYXMXQVSA-N 374.281 3.384 10 50 FGCA CCOc1cc(CN2CCN(c3ccc(OC)cc3)CC2)ccc1OC 752305 JUHPDZBTXALPMU-UHFFFAOYSA-N 356.466 3.425 10 50 FGCA CCCc1cc(N2CCN(Cc3cc(Cl)ccc3O)CC2)nc(C)n1 65393685 JZKRHPIMLLVLJN-UHFFFAOYSA-N 360.889 3.419 10 50 FGCA CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252444112 SSEWXBCTZYNSBF-WOJBJXKFSA-N 367.493 3.017 10 50 FGCA CCCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC[C@@H](C)C2 2777429 HHHVETGPOKQRSS-LLVKDONJSA-N 367.467 3.331 10 50 FGCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1 5061614 LGUHQIXMQAYHIN-BOPFTXTBSA-N 350.374 3.182 10 50 FGCA OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1C1CCCCC1 20994695 JYWQRGRLPJNWIX-SFHVURJKSA-N 352.906 3.247 10 50 FGCA Oc1cccc([C@H](O)CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1 1506422897 SPHREMJBZYCGMN-JOCHJYFZSA-N 352.478 3.173 10 50 FGCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C 4145196 QQXLIUIMNLAKPS-WOJGMQOQSA-N 374.444 3.300 10 50 FGCA Cc1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1185952 KCHIZPQLEULRNX-UHFFFAOYSA-N 367.474 3.001 10 50 FGCA COc1ccc([C@H](NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1 1209795 NSAPFXNJGCEDMF-IBGZPJMESA-N 352.390 3.183 10 50 FGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1OC 1082195 WCQOCFIOUUOABI-GDNBJRDFSA-N 359.422 3.032 10 50 FGCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O 13615677 ZFEXINNPRILZBV-YBEGLDIGSA-N 356.809 3.427 10 50 FGCA COCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 2986426 NNMRAMAGSQWQGD-XFFZJAGNSA-N 374.281 3.002 10 50 FGCA Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(Cl)c1O 4284239 AKRTZIYBDBSHRX-UHFFFAOYSA-N 356.787 3.371 10 50 FGCA C[C@H]1CN(C2=NC(=O)/C(=C\c3c[nH]nc3-c3ccccc3)S2)C[C@H](C)O1 4846039 CUBAANKEPOUECM-FJPKCYBQSA-N 368.462 3.156 10 50 FGCA CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nncs1 916186264 DIUWVHUZIKIYHG-UHFFFAOYSA-N 360.464 3.485 10 50 FGCA COc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1091727 IVMPAPDZDMUIIY-PFONDFGASA-N 368.439 3.423 10 50 FGCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@H](C)C(=O)O)cc1 4093776 AKNPESZCSZHCQJ-CRRKTRLDSA-N 350.374 3.345 10 50 FGCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccs2)SC1=S 970086 RSBPADYPQDJAIJ-RAXLEYEMSA-N 360.485 3.223 10 50 FGCA CCOC(=O)[C@]1(CCOC)CCCN(Cc2cc(Cl)ccc2O)C1 12298861 SJTBVMMPYGIAGM-SFHVURJKSA-N 355.862 3.227 10 50 FGCA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1Cc1cccnc1 36158066 GNDRCPVAALJCQC-AUWJEWJLSA-N 373.415 3.097 10 50 FGCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(F)c1 1424167 UZNSVVVOULFJRU-YVLHZVERSA-N 352.365 3.094 10 50 FGCA Cc1ccc(CNC(=O)Cc2ccc(N)cc2)c(OCC(F)(F)F)c1 170677905 DOOZHBPJUCNGIB-UHFFFAOYSA-N 352.356 3.377 10 50 FGCA CCN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 13774320 MACFEKOICKXBTQ-PFONDFGASA-N 370.455 3.418 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3cc(C)ccc3C)CC2)cc1 55561967 WEQDGIAMJZIBRM-UHFFFAOYSA-N 353.466 3.073 10 50 FGCA C[C@H](Cc1ccccn1)N(C)C1CCN(c2ccc3c(c2)OCO3)CC1 65420001 VFUPUVFVNFYQLE-MRXNPFEDSA-N 353.466 3.342 10 50 FGCA O=C(O)c1ccccc1-c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 4284433 QCGYJIWVJKJCCH-UHFFFAOYSA-N 364.309 3.380 10 50 FGCA biogenic C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2F)C[C@@H](C)O1 252680195 XKGFLLVIODYYOZ-CRCOGDFISA-N 360.473 3.492 10 50 FGCA CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1O 5046209 QZDGPGALLMYPJQ-MHWRWJLKSA-N 366.373 3.295 10 50 FGCA COCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 2901447 CWEWGIQPFHZEEA-JYRVWZFOSA-N 370.232 3.312 10 50 FGCA O=C1N=C(O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1 8739347 WOGISSLYRYBUMU-UHFFFAOYSA-N 358.357 3.129 10 50 FGCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc4c(c3)OCO4)C(=O)N=C2S1 1167960 FRKWVMGPOZUNQY-QARVSLNCSA-N 356.407 3.081 10 50 FGCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC(Cc3ccccc3)CC1)C(=O)C2=O 2666637 HMXOJFWZKFSVNF-PKTZIBPZSA-N 367.489 3.432 10 50 FGCA Cc1c(C(=O)N(Cc2cocn2)Cc2cocn2)n(C)c2ccc(F)cc12 426658226 MBHQUHSEHOIMOM-UHFFFAOYSA-N 368.368 3.444 10 50 FGCA O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1COc2ccccc2O1 13668386 ZVISGZOLMJBTBK-HXUWFJFHSA-N 352.434 3.133 10 50 FGCA Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 65277684 PXYCMIWIZAWLJX-KRWDZBQOSA-N 374.506 3.180 10 50 FGCA CC(C)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 5563625 XNIKLQDUSREDNS-MHWRWJLKSA-N 351.362 3.180 10 50 FGCA Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)no1 1192041 NMLFQXKCBSTWRN-RAXLEYEMSA-N 373.459 3.213 10 50 FGCA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1 19790816 AXAICGAKJFAVHD-UHFFFAOYSA-N 367.401 3.210 10 50 FGCA biogenic COc1ccc(N2CCN(C(=S)Nc3ccc(C(C)=O)cc3)CC2)cc1 1123733 YVXWVLWZSMFLCV-UHFFFAOYSA-N 369.490 3.417 10 50 FGCA O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 17044270 HASKGQOXFQNTOL-GXDHUFHOSA-N 371.190 3.320 10 50 FGCA CCOC(=O)[C@H]1CCCCN1Cc1cc(Br)cc(OC)c1O 55292176 WMODZRFLUYKGJP-CYBMUJFWSA-N 372.259 3.081 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 54225145 BECAYBRNDRNQJI-UHFFFAOYSA-N 373.884 3.418 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ncc(F)cc3F)CC2(C)C)cc1 91650052 YGFHVEJXTUBTJN-UHFFFAOYSA-N 361.392 3.109 10 50 FGCA COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)cc1 1825417 KFLJCZCQHOHEJD-XYOKQWHBSA-N 373.346 3.172 10 50 FGCA CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C 1126904 MBOVJLSXWCJOCF-LFIBNONCSA-N 367.474 3.265 10 50 FGCA CCOc1ccc(CNC[C@@H](C)Oc2cccnc2)cc1COC(C)=O 55402552 MFAILNYKKIDWRI-OAHLLOKOSA-N 358.438 3.101 10 50 FGCA CN(C)Cc1cc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)ccc1O 65526730 XKXVOXYZQNOKRU-MRXNPFEDSA-N 354.454 3.240 10 50 FGCA COc1cc(OC)c(OC)c(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)c1 328600694 YXCMLBDYZSMRIK-QGZVFWFLSA-N 370.405 3.116 10 50 FGCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)C2=O)c1 9331995 HJOPHTNMKGCBKQ-GZTJUZNOSA-N 359.385 3.451 10 50 FGCA CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OC 1185159 ZMIMKECUNVDLHK-UHFFFAOYSA-N 354.358 3.276 10 50 FGCA COc1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 55526407 SIDHMUNGILKSGM-UHFFFAOYSA-N 364.449 3.376 10 50 FGCA COc1ccc(N(/C=C/C=C/C=C2/SC(=S)N(C)C2=O)C(C)=O)cc1 25757557 JTYFCWPKLLGNIF-IOWBPAFOSA-N 374.487 3.492 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 239415189 TZCNHRPXIUGBPZ-RKVPGOIHSA-N 371.418 3.069 10 50 FGCA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 4613968 VRJCVLURZYXJNO-WDEREUQCSA-N 365.451 3.243 10 50 FGCA COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)O)c1O 5043646 JKSIRUDZUKZIEE-CYBMUJFWSA-N 374.418 3.005 10 50 FGCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)N1CCOCC1 13401168 SRFQGTZLZQUQOT-GHRIWEEISA-N 370.478 3.405 10 50 FGCA O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 15905875 FPSZYKXIAYVJEA-ZROIWOOFSA-N 357.412 3.496 10 50 FGCA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 1203582 PXSQCXNJQKFYLA-LJQANCHMSA-N 365.433 3.081 10 50 FGCA COc1ccc(N2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)CC2)cc1 4417997 IMULGRIIXOBQRY-UHFFFAOYSA-N 368.433 3.078 10 50 FGCA OC[C@@H](CNC1CCN(c2ccc3c(c2)CCC3)CC1)Cc1ccco1 1506400686 FROYBZYVAOXXIL-QGZVFWFLSA-N 354.494 3.178 10 50 FGCA COc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1 1786510 MPDTWZMDASDWNU-LLBKUYECSA-N 351.449 3.006 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)cc1 55062762 DHJMRDKVLMNCEQ-UHFFFAOYSA-N 373.884 3.418 10 50 FGCA OCC[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCN1C1CCCC1 23359274 HGTNYTGPASFTJE-LJQANCHMSA-N 354.494 3.357 10 50 FGCA O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1 9165382 WMCFOMOHLKHCLN-UHFFFAOYSA-N 351.145 3.003 10 50 FGCA CC(C)Oc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 54285199 DBDMHZHGCADWAC-UHFFFAOYSA-N 354.450 3.240 10 50 FGCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 19867775 SMQMXPSEQZXSRS-BOPFTXTBSA-N 359.385 3.397 10 50 FGCA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2O)NC(=S)N1 753535 AVMYBIIQGMRZGV-QGZVFWFLSA-N 353.447 3.132 10 50 FGCA COc1ccc(N2CCN(C(=O)COc3ccc(C)cc3C)CC2)cc1 1130850 KETWAXTZLRRPAV-UHFFFAOYSA-N 354.450 3.040 10 50 FGCA COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccccc2)SC1=S 973792 WPBUDVRGJVIZCW-PTNGSMBKSA-N 370.455 3.241 10 50 FGCA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2O)NC(=O)N1C 758213 PUVXFEZDBAWLIU-SFHVURJKSA-N 351.406 3.309 10 50 FGCA C[C@@H](c1nc(-c2ccc(-n3cccc3)cc2)no1)n1cc([N+](=O)[O-])cn1 4623220 BUUODEYPFQRBCU-LBPRGKRZSA-N 350.338 3.241 10 50 FGCA O=C(CCc1ccc(-n2ccnc2-c2ccc(O)c(O)c2)cc1)NC1CC1 77520416 PLLQQHCALCZBNG-UHFFFAOYSA-N 363.417 3.162 10 50 FGCA COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@H]2C)c1O 4180558 LWFFAIDGWKLELR-FRVJLOGJSA-N 371.433 3.342 10 50 FGCA Oc1ccccc1CN1CCc2[nH]cnc2[C@@H]1c1ccc(-n2ccnc2)cc1 72433754 OTYXHESDYNMRDP-QFIPXVFZSA-N 371.444 3.449 10 50 FGCA O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 13668385 ZVISGZOLMJBTBK-FQEVSTJZSA-N 352.434 3.133 10 50 FGCA Nc1ccc(CCNC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1 841960200 XKIHTAGKPQELJR-UHFFFAOYSA-N 371.456 3.341 10 50 FGCA CCN1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 4952401 YEIMLTAAWPLOKB-MHWRWJLKSA-N 362.451 3.360 10 50 FGCA Cc1cccnc1C[C@@H](C)NC1CCN(c2ccc3c(c2)OCO3)CC1 67868581 BSUVASHQTQJJNL-MRXNPFEDSA-N 353.466 3.308 10 50 FGCA Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c([N+](=O)[O-])cc1C 1090750 YBHOFUJNMBOZPC-UHFFFAOYSA-N 371.374 3.226 10 50 FGCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)cc3)C2=O)cc1 4673182 IRAUPSQVGGPMCQ-ATVHPVEESA-N 350.374 3.060 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2(C)C)cc1 82138322 NYKVPECSNFUDFX-UHFFFAOYSA-N 356.470 3.283 10 50 FGCA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1C[C@H]1CCCO1 1150608 FIWQYSOYZJBOGA-SLVCOGOPSA-N 359.472 3.386 10 50 FGCA Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)cc3)C2=O)c1 5648154 NHZSIDPXMPMKDE-GDNBJRDFSA-N 355.781 3.227 10 50 FGCA C[C@H]1[C@H](C)CCC[C@H]1N/C=C1/C(=O)N(Cc2ccccc2)C(=O)N=C1O 245247792 XJMUZMBWWFXJKP-SBGRJSLJSA-N 355.438 3.404 10 50 FGCA C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1 1215104 RKPRTSBFAHUQCT-RAXLEYEMSA-N 367.268 3.142 10 50 FGCA Cc1sc2nc(CCNCc3ccc4c(c3)CCO4)nc(O)c2c1C 952985144 CLMDLZGVGYNQRY-UHFFFAOYSA-N 355.463 3.281 10 50 FGCA COC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1179993 IDOWHZADDXWDIA-XFXZXTDPSA-N 355.868 3.494 10 50 FGCA Cc1ccc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 1201247 NDJRZTNJJDDWHK-UHFFFAOYSA-N 356.403 3.173 10 50 FGCA O=[N+]([O-])c1cnn(CCCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1 1423946 RDGMOZVHQZIRFE-UHFFFAOYSA-N 364.365 3.265 10 50 FGCA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 77437296 CUIRXEQNUHLHOT-INIZCTEOSA-N 353.418 3.152 10 50 FGCA COc1ccc(N2CCN(Cc3ccc4nsnc4c3)[C@H](C)C2)cc1 72157180 CSVGMTNRXHIILJ-CQSZACIVSA-N 354.479 3.411 10 50 FGCA c1cc2c(cc1N1CCC(NCc3n[nH]c4c3CCCCC4)CC1)OCO2 820415001 VCUWQHRWIRIGSC-UHFFFAOYSA-N 368.481 3.166 10 50 FGCA COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1OC 5027926 AHOWTDFWFOZNPR-UHFFFAOYSA-N 359.403 3.363 10 50 FGCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N(C)C 5034056 NFUMJTRVGAFMCW-ATVHPVEESA-N 350.378 3.467 10 50 FGCA COc1ccc(N2CC3(CN(CCCOc4ccc(F)cc4)C3)C2)cc1 2356152516 NCCJNYATWCPSSY-UHFFFAOYSA-N 356.441 3.425 10 50 FGCA C[C@@H](Cc1ccccn1)N(C)C1CCN(c2ccc3c(c2)OCO3)CC1 65419998 VFUPUVFVNFYQLE-INIZCTEOSA-N 353.466 3.342 10 50 FGCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3ccccc3n2C)C1=O 1201133 XSFDRQLZZHPTIH-FOWTUZBSSA-N 359.385 3.153 10 50 FGCA COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 16027994 XVLRPVRCGVMPQH-YQCJOKCJSA-N 351.449 3.006 10 50 FGCA COCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(C(=O)OC)=C1C 2998674 XLLBKSSOKLHJPD-XFXZXTDPSA-N 370.232 3.312 10 50 FGCA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 239090920 HKTLETRTGJBYFO-NJAPINKUSA-N 373.522 3.277 10 50 FGCA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2)cc1 2883168 AYYMXWWOTHYFHO-UHFFFAOYSA-N 364.401 3.269 10 50 FGCA O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1c1ccc(Br)cc1 17029413 WTHGEZOCRXMSJQ-WQLSENKSSA-N 360.167 3.284 10 50 FGCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(Cl)cc1 1196015 WWSMJDGPNGLJIJ-HEUOVEHFSA-N 361.825 3.192 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 169293690 VQNQQBXEORLNLV-IIDMSEBBSA-N 371.418 3.069 10 50 FGCA Cc1ccc(NCCCNC2CCN(c3ccc4c(c3)OCO4)CC2)nc1 825195297 LHWYVFPKUPSNAJ-UHFFFAOYSA-N 368.481 3.179 10 50 FGCA Cn1cc(S(=O)(=O)Nc2ccc(O)cc2Cl)c(C2CCCC2)n1 901936188 GRAHJCDFZYSWIJ-UHFFFAOYSA-N 355.847 3.238 10 50 FGCA CN(C)c1ccc(C2=CCN(C(=O)Nc3cnn(-c4ccncc4)c3)C2)cc1 1875258900 VYMVJZMSFKFIEO-UHFFFAOYSA-N 374.448 3.264 10 50 FGCA Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 71769708 LOSZHCXVSHMKKD-UHFFFAOYSA-N 373.459 3.383 10 50 FGCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br 14011136 NJBUPUIATJXYRC-RAXLEYEMSA-N 371.190 3.116 10 50 FGCA COc1cc(O)c([C@H]2CC(c3cccs3)=NN2C(C)=O)cc1[N+](=O)[O-] 253426782 IZCZERPXNZKXEL-GFCCVEGCSA-N 361.379 3.068 10 50 FGCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Cl)s1 4723780 IMSFLXLMZIMCOW-XFFZJAGNSA-N 366.826 3.372 10 50 FGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCC1=CCCCC1 100401607 XOPQKQVUCUYXRA-VBKFSLOCSA-N 373.840 3.287 10 50 FGCA CCN(CC)c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 1132789 TWMYRQLLICUFEG-PKVLTRFUSA-N 362.451 3.131 10 50 FGCA COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 5021077 UCGQTYPPDYLQHS-WDEREUQCSA-N 365.451 3.243 10 50 FGCA C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 72117398 XZRDGQXIXXPHAQ-HZPDHXFCSA-N 372.440 3.307 10 50 FGCA C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 72115384 CCUVXFSFEFLONV-IRXDYDNUSA-N 354.450 3.168 10 50 FGCA O=C1NC(=S)S/C1=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2823035 XDDMDAWZEQLMDK-PFONDFGASA-N 352.440 3.092 10 50 FGCA COC(=O)CCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 4482660 KSDXKMDNUQYPMP-YRNVUSSQSA-N 359.831 3.243 10 50 FGCA O=c1[nH]c(NNC(=S)Nc2ccccc2)nc2sc3c(c12)CCCC3 944881 FGSVBQUQTNDOMV-UHFFFAOYSA-N 371.491 3.177 10 50 FGCA COc1ccccc1/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 753077 XSAGYPAQRKMSBU-LFIBNONCSA-N 364.401 3.287 10 50 FGCA Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2826205 GQKUGCDZRKMXEL-GDNBJRDFSA-N 355.781 3.227 10 50 FGCA Cc1c(CCNC(=O)[C@H]2CCn3nccc3C2)c2cccc3c2n1CCC3 1857709526 CQDYEBMJBIBTMA-KRWDZBQOSA-N 362.477 3.014 10 50 FGCA COCCn1ncc2c1[C@H](NCc1c(O)ccc(Cl)c1F)CCC2 364577245 JBMVKUQAZZFBCE-CQSZACIVSA-N 353.825 3.195 10 50 FGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1F 2892780 RPYMMXAPAMYQIG-XFXZXTDPSA-N 359.744 3.058 10 50 FGCA COc1ccc(N2CCN(C(=O)CCCn3nc(C)cc3C)[C@H](C)C2)cc1 72454706 ROOCCTKVEDIVNZ-GOSISDBHSA-N 370.497 3.026 10 50 FGCA COC(=O)[C@H](C)Oc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1126540 BHAKCDFPPMVMTL-NSHDSACASA-N 369.329 3.309 10 50 FGCA CC(C)Oc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 65361911 NRDCSESUDVYWMV-UHFFFAOYSA-N 354.450 3.240 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nn3C)CC2(C)C)cc1 82099789 LRTDEIYSBUFLFE-UHFFFAOYSA-N 370.497 3.293 10 50 FGCA Cc1cc(I)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 148558625 JMRRIKROUNXRLA-KKFJDGPESA-N 355.175 3.138 10 50 FGCA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 969636 DLQYYSMVHZCLEY-UHFFFAOYSA-N 356.403 3.305 10 50 FGCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NCCCC(C)C)C2=O)c(C)c1 19595345 YVPOPRPDRCLUGJ-WJDWOHSUSA-N 357.454 3.104 10 50 FGCA CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)c(O)c1 16672066 KLSUCZXXBANPNK-PDGQHHTCSA-N 365.433 3.008 10 50 FGCA COc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC 1154043 IVKGIFKEHNLJNF-RIYZIHGNSA-N 372.808 3.127 10 50 FGCA COc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1C(=O)O 4953719 LXZQEAMKEQRPAW-UHFFFAOYSA-N 366.167 3.114 10 50 FGCA Cn1cc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C(C)(C)C)ccc2O)cn1 67650444 XONJXXKFJJZHRT-HXUWFJFHSA-N 365.481 3.294 10 50 FGCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 1174119 QEOIFJQTJGDBPI-JLHYYAGUSA-N 356.765 3.015 10 50 FGCA O=C(O)c1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 821549125 HPNPMKYOWQQRCG-XNTDXEJSSA-N 370.455 3.224 10 50 FGCA CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)NC1=S 2303343 MBZSPLNEOFNLJF-LFIBNONCSA-N 367.474 3.036 10 50 FGCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(F)cc1 5649348 IFKNKINTTNGDLY-ZROIWOOFSA-N 359.744 3.058 10 50 FGCA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)N=C1S 4845797 FBWRHLQHUUWPDL-YBEGLDIGSA-N 370.434 3.491 10 50 FGCA COc1cccc(OC)c1CNC1CCN(c2ccc3c(c2)OCO3)CC1 952964440 NNJOZPUSXNJBBI-UHFFFAOYSA-N 370.449 3.191 10 50 FGCA COc1ccc(CNCc2ccc3nc(O)[nH]c3c2)cc1CN1CCCC1 952965146 SCDNPLWBXYECNS-UHFFFAOYSA-N 366.465 3.163 10 50 FGCA CCc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1 12413217 FAWVOJTUXQDLMJ-KMTKGMGQSA-N 355.434 3.101 10 50 FGCA COc1ccc(N2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 4629080 KDSDJHCADIOBMU-UHFFFAOYSA-N 369.509 3.496 10 50 FGCA COc1ccc(N2CCN(C(=O)CSc3ccc(C)cc3)CC2)cc1 4758652 WZVQUBOPPTZFOD-UHFFFAOYSA-N 356.491 3.445 10 50 FGCA COC(=O)c1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 1197221 JPMOCVHPIDATFT-GDNBJRDFSA-N 366.369 3.472 10 50 FGCA COc1ccc(/C=C2\C(=O)N(C(=O)c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 4566210 ZXOCFPXPQJNRMM-BOPFTXTBSA-N 365.345 3.045 10 50 FGCA Cc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 1151581 FLQWJLYXHSNASZ-RIYZIHGNSA-N 357.753 3.018 10 50 FGCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1C 4649329 HPEUQBRLCCWGOD-ZSOIEALJSA-N 371.780 3.326 10 50 FGCA CCOc1cccc(CN2CCc3nnc(-c4ccccc4)n3CC2)c1O 20210263 LWLYEYHDWTZOOH-UHFFFAOYSA-N 364.449 3.108 10 50 FGCA C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 72117399 XZRDGQXIXXPHAQ-HOTGVXAUSA-N 372.440 3.307 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C)CC2)cc1 55561889 KBAXMDNOYIUNAK-UHFFFAOYSA-N 373.884 3.418 10 50 FGCA CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1 33821724 DXXQWHGIQHEWGY-JYRVWZFOSA-N 368.784 3.228 10 50 FGCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cccc(F)c1 2892776 XEBIAUOTDYPZLM-ZROIWOOFSA-N 359.744 3.058 10 50 FGCA Oc1ccc(Br)cc1CN1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 101858908 HNVUJOILHPMUKN-GRDNDAEWSA-N 365.315 3.461 10 50 FGCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 1192490 JNPNTPXTUWHBJF-LDADJPATSA-N 364.401 3.485 10 50 FGCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(CCc2ccccc2)C1=O 1317801 DSYZKZQJNRTHKK-NXVVXOECSA-N 366.467 3.453 10 50 FGCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)cc1 1029154 CIMRREAXHKBLAC-SFQUDFHCSA-N 359.385 3.397 10 50 FGCA CCOc1cc(Br)cc(/C=C2/SC(=S)NC2=O)c1O 2916338 RORVDBWQFHWTSV-RUDMXATFSA-N 360.254 3.042 10 50 FGCA O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc([N+](=O)[O-])o3)c-2cc1O 4905140 RYDVPKWCZLLHER-UHFFFAOYSA-N 355.258 3.183 10 50 FGCA CCCn1cnnc1[C@H](C)NC1CCN(c2ccc3c(c2)CCC3)CC1 1506396986 QCHJHCYKKWIKMF-INIZCTEOSA-N 353.514 3.496 10 50 FGCA COc1ccccc1C1=N/C(=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)O1 5023889 APXZRZLVWJMWJQ-UVTDQMKNSA-N 367.361 3.014 10 50 FGCA COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)cc1 897960 IQDDMOAJKVBPKG-PDGQHHTCSA-N 365.385 3.278 10 50 FGCA O=[N+]([O-])c1cccc([C@H](O)CNCC2(c3ccc(O)c(O)c3)CCCC2)c1 3039204 VSNTWVOQKIYAGA-LJQANCHMSA-N 372.421 3.141 10 50 FGCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)o1 1214906 LCFKJAOKJBLEEX-FOWTUZBSSA-N 367.405 3.101 10 50 FGCA Oc1ccc2c(c1CN1CCC([C@H](O)c3ccc(F)cc3)CC1)OCO2 1875292991 ZFBMSJVQFSAEQC-LJQANCHMSA-N 359.397 3.206 10 50 FGCA COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 5046752 UWNXQFKBHDIVLH-YBEGLDIGSA-N 366.373 3.208 10 50 FGCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N=C3O)c2C)cc1C 8997328 JSJIBWYBOKPLIG-UHFFFAOYSA-N 353.447 3.466 10 50 FGCA Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 72115840 GOCLWBPWKMLUJP-KRWDZBQOSA-N 354.450 3.088 10 50 FGCA C[C@@]12OC(=N)[C@@](C#N)([C@@H](c3ccco3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 142811375 RHQCNXVWUHSVNE-WBQJQJEBSA-N 358.357 3.402 10 50 FGCA Cc1cc(C)cc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c1 660990 UPOKWSHLLYMEKT-FWPHUCDGSA-N 352.415 3.284 10 50 FGCA O=C1OC2(c3ccccc31)c1ccc(O)c(O)c1Oc1c2ccc(O)c1O 4416138 PHLYOKFVXIVOJC-UHFFFAOYSA-N 364.309 3.077 10 50 FGCA in-vivo Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(C)c4ccccc34)C2=O)c1 13569988 ISNFYXYOUWULBN-WOJGMQOQSA-N 373.412 3.462 10 50 FGCA COc1ccc(OC)c([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)c1 5702460 BROZPKRZPREIPJ-HXUWFJFHSA-N 357.406 3.323 10 50 FGCA CN(Cc1noc(C2CCC2)n1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506407698 KYCXIBSWZKGWBW-UHFFFAOYSA-N 370.453 3.167 10 50 FGCA Cc1ccc(N2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1C 4471226 GJPISXNWVMXGIZ-DHDCSXOGSA-N 371.780 3.326 10 50 FGCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1cccnc1 100163407 VJYSEWWASKXTHA-GHRIWEEISA-N 365.393 3.166 10 50 FGCA COc1cc2c(cc1/C=C1\SC(=S)N(CC(C)C)C1=O)OCO2 1113108 RZELBAHGVLCJAI-RZNTYIFUSA-N 351.449 3.281 10 50 FGCA CC[C@@H](C)N1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(=O)NC1=S 5891671 CHIGNHSKDFYBGF-DYTQJMLRSA-N 355.463 3.086 10 50 FGCA CS(=O)(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 1115459 PORSIUILTZMUJX-UHFFFAOYSA-N 354.225 3.052 10 50 FGCA Cc1cccc2cc(/C=C3\SC(S)=NC3=O)c(N3CCOCC3)nc12 1288741 QCPFMYPMBFHBMO-UVTDQMKNSA-N 371.487 3.280 10 50 FGCA N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 4725315 VHFPDCWSCVIBBF-CKLXWILVSA-N 362.414 3.254 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(N(C)C)nc3)CC2(C)C)cc1 72166090 VUGMSKBMCQYVQP-UHFFFAOYSA-N 354.498 3.257 10 50 FGCA COc1ccc(OC)c(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)c1 1195963 ILFRBSVKIWNJIN-QPEQYQDCSA-N 352.342 3.414 10 50 FGCA CCCCN1C(=O)NC(=O)C(=Cc2ccc(N3CCCCCC3)cc2)C1=O 2049443799 WJKGCZDFUYJCLY-UHFFFAOYSA-N 369.465 3.329 10 50 FGCA COc1ccc(N2CCN(C(=S)Nc3cccc(C(C)=O)c3)CC2)cc1 6297839 VSLJBCKGZDIWSZ-UHFFFAOYSA-N 369.490 3.417 10 50 FGCA Cc1nc(O)cc(-c2ccc(NC(=O)NCc3ccccc3O)cc2)n1 748324962 KTSONQLIMUBECX-UHFFFAOYSA-N 350.378 3.185 10 50 FGCA CN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S 4611271 PYZRGCOSRQHBQY-XCVCLJGOSA-N 358.238 3.009 10 50 FGCA OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1Cc1cccs1 96753150 KLFVBUHQWMPIFU-INIZCTEOSA-N 366.914 3.176 10 50 FGCA O=C(O)c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4542426 JFVCBYNCBUNXMX-UHFFFAOYSA-N 371.348 3.413 10 50 FGCA CC/C(C)=C1/SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 15856314 YUEVLWZOBHXJRE-NTCAYCPXSA-N 360.439 3.030 10 50 FGCA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccco1 37219709 MJMOIXISPVWAFZ-QPEQYQDCSA-N 362.388 3.295 10 50 FGCA Cc1cc(NC(=O)COC(=O)c2cc(O)cs2)n(-c2ccccc2C)n1 2325727210 WPXXALPBLHFEGU-UHFFFAOYSA-N 371.418 3.052 10 50 FGCA Fc1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)ccc1N1CCOCC1 328640205 PVNRMVCTQTYCSY-PZJWPPBQSA-N 371.456 3.067 10 50 FGCA Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 771803 GYMZNROPXVCDIC-XNTDXEJSSA-N 356.834 3.480 10 50 FGCA Oc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1cnc(-c2ccco2)nc1 72171666 JLKVCEGPRYATGZ-HXUWFJFHSA-N 373.416 3.313 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cnn4ccccc34)CC2(C)C)cc1 82138699 UEWYIDNVFGZFQN-UHFFFAOYSA-N 364.449 3.084 10 50 FGCA C[C@H](C(=O)Nc1cccnc1Cl)N1CCOc2cc(N(C)C)ccc21 130454045 LLVIWUNELDZUDT-GFCCVEGCSA-N 360.845 3.027 10 50 FGCA CO[C@@H](CNC1CCN(c2ccc3c(c2)OCO3)CC1)c1cccs1 65526318 OYTZCGJFSOJQAG-SFHVURJKSA-N 360.479 3.423 10 50 FGCA CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccccc3)c2)S1 1139254 SIZNXDSJXWBVAF-BOPFTXTBSA-N 352.415 3.372 10 50 FGCA COc1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 757042 FSXZENNDQWXEEB-UHFFFAOYSA-N 365.521 3.482 10 50 FGCA COc1ccc(N2CCN(C(=O)CCCn3nc(C)cc3C)[C@@H](C)C2)cc1 72454705 ROOCCTKVEDIVNZ-SFHVURJKSA-N 370.497 3.026 10 50 FGCA COC(=O)C1=C(C)NC(=O)/C1=C\Nc1ccc(Oc2ccccc2)cc1 18068914 TUEFBTPCUWBSIO-ATVHPVEESA-N 350.374 3.352 10 50 FGCA CN1CCN(c2ccc(-c3nccn3-c3ccc4c(c3)COC4)cc2)CC1 1772807286 LWGXQSRINPGJOO-UHFFFAOYSA-N 360.461 3.321 10 50 FGCA CCCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 6709799 MUUIFGQXUWUANV-UHFFFAOYSA-N 354.450 3.446 10 50 FGCA O=C1NC(=S)S/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 1173621 DXUOEFPORLVBBT-OQLLNIDSSA-N 371.439 3.453 10 50 FGCA C[C@H](NC(=O)c1cc(C2CCC2)no1)c1ccc(N2CCOCC2)cc1 2325784930 UWUNNHGLGWNWRA-AWEZNQCLSA-N 355.438 3.270 10 50 FGCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 1197257 YDJBGTCOKFOKEI-WQRHYEAKSA-N 364.401 3.485 10 50 FGCA C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 5214843 XLUYPDFTJMZMFG-FSEMZKDTSA-N 372.265 3.123 10 50 FGCA COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 12653840 XVLRPVRCGVMPQH-RPHSKFLZSA-N 351.449 3.006 10 50 FGCA biogenic OC1CCN(c2ccc(CNCc3cc(F)cc(F)c3)cc2F)CC1 160820032 WWIAEJRWZWLMSH-UHFFFAOYSA-N 350.384 3.355 10 50 FGCA CCc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 22215804 IMTODWJJUIJGGA-SDNWHVSQSA-N 354.406 3.219 10 50 FGCA COc1cccc(NC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)c1 5044197 OWPPDEMVLAJCQB-UHFFFAOYSA-N 373.364 3.429 10 50 FGCA COc1cc(N(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O 35017758 GOKYHQGRIIXMNE-UHFFFAOYSA-N 359.426 3.050 10 50 FGCA Cn1cc([C@H]2c3nc[nH]c3CCN2Cc2cc(C(C)(C)C)ccc2O)cn1 67650439 XONJXXKFJJZHRT-FQEVSTJZSA-N 365.481 3.294 10 50 FGCA C[C@@]12OC(=N)[C@@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 142810987 RHQCNXVWUHSVNE-ZTTFOMCMSA-N 358.357 3.402 10 50 FGCA COc1cccc(CN2CCC[C@H](NCc3cc(OC)ccc3O)C2)c1 23374975 ZFMTUCWBLPRTLD-SFHVURJKSA-N 356.466 3.164 10 50 FGCA Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1 2188991 AXFDIPYNEJVVIV-OQLLNIDSSA-N 372.471 3.380 10 50 FGCA C[C@@H]1CN(C2=NC(=O)/C(=C\c3c[nH]nc3-c3ccccc3)S2)C[C@@H](C)O1 4846040 CUBAANKEPOUECM-CWJRHKRGSA-N 368.462 3.156 10 50 FGCA O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 5030501 HCQKRFOWSSSAFW-RAXLEYEMSA-N 351.449 3.238 10 50 FGCA O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 13648611 BCBXOYFGQXGFBB-UHFFFAOYSA-N 350.871 3.419 10 50 FGCA Cc1csc(-c2nnc(NCc3ccc(N4CCN(C)CC4)cc3)o2)c1 857225576 UGMISQDURMZULB-UHFFFAOYSA-N 369.494 3.470 10 50 FGCA COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc12 1059551 LUKYDOFHPQHDOL-RIYZIHGNSA-N 359.428 3.134 10 50 FGCA O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(N2CCCC2)cc1 28332067 YSWOUGQQZYYGHA-UHFFFAOYSA-N 352.434 3.265 10 50 FGCA COc1cccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1 1786506 MPDTWZMDASDWNU-FSBNRTBOSA-N 351.449 3.006 10 50 FGCA O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 100401461 IWIGNKGGVOTHJA-DHDCSXOGSA-N 373.771 3.054 10 50 FGCA CN1C(=O)/C(=C2\SC(=S)N(Nc3ccccc3)C2=O)c2ccccc21 1221252 HJZSNSMWCCBMAM-PFONDFGASA-N 367.455 3.262 10 50 FGCA CC(C)C(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 4140299 YXSQDCUYDOWPHY-HNNXBMFYSA-N 355.350 3.303 10 50 FGCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1 16671193 XGFHBSUASAOKAQ-QSJINSDNSA-N 369.218 3.467 10 50 FGCA COC(=O)C1=C(C)N[C@H](c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 100245034 CEQKYXRUKRQKBZ-IBGZPJMESA-N 367.401 3.126 10 50 FGCA COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)ccc1O 240871459 IKQPIVIJRKZLKR-INIZCTEOSA-N 370.405 3.116 10 50 FGCA CN(C)[C@@H]1c2ccccc2C2(CCN(Cc3cccc(F)c3O)CC2)[C@H]1O 20137405 PSZSLGWATYMRBB-CTNGQTDRSA-N 370.468 3.042 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 753621 VALQYMCBVHFILY-OQLLNIDSSA-N 372.833 3.180 10 50 FGCA C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1748030 XLUYPDFTJMZMFG-LOBLAWFCSA-N 372.265 3.123 10 50 FGCA CN1CCN(c2ccc(CNC(=O)CCc3ccccc3Cl)cc2)CC1 65362617 RGCYMAYWRKYJKP-UHFFFAOYSA-N 371.912 3.341 10 50 FGCA CN1CCc2nc3sc(C(=O)OCc4ccccc4)c(N)c3cc2C1 19590277 DRJJPZBHCVTIFD-UHFFFAOYSA-N 353.447 3.223 10 50 FGCA CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1233286 BIEOQFVSIMNLLE-LFIBNONCSA-N 369.808 3.072 10 50 FGCA CC(C)C(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 4140298 YXSQDCUYDOWPHY-OAHLLOKOSA-N 355.350 3.303 10 50 FGCA COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 5021075 UCGQTYPPDYLQHS-GHMZBOCLSA-N 365.451 3.243 10 50 FGCA O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccs1 4700952 IDBKNYXUOQOMBL-WQLSENKSSA-N 366.320 3.433 10 50 FGCA COc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 55545145 DOJRRUFAWLPXOQ-UHFFFAOYSA-N 350.422 3.067 10 50 FGCA Oc1ccccc1CN(C[C@H]1CCCO1)c1ncc(Br)cn1 270838791 KHIQNLOCRSCEFP-CQSZACIVSA-N 364.243 3.130 10 50 FGCA CCCCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 3003977 GFRHILUZFUXBMH-UHFFFAOYSA-N 365.433 3.186 10 50 FGCA O=C1N=C(O)/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N1c1ccccc1 2852222 JBMDIGWMBKICFO-GZTJUZNOSA-N 358.357 3.379 10 50 FGCA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 4468185 LDLKTICBNRQIQV-GXDHUFHOSA-N 356.428 3.274 10 50 FGCA CCc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113432 XOBPRYNVMBHNIS-UHFFFAOYSA-N 352.478 3.335 10 50 FGCA CCN(CC)c1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 1193359 ZNTCWSXJLCXLJA-MOPGFXCFSA-N 351.494 3.314 10 50 FGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 2914885 PEAMPPIFNHTJKW-OQLLNIDSSA-N 356.834 3.480 10 50 FGCA CC[C@@H]1CN(Cc2ccc(O)c(O)c2)CCC(=O)N1Cc1ccccc1 71711879 IVMLYVBPIWTADS-GOSISDBHSA-N 354.450 3.111 10 50 FGCA COc1ccc(-c2cc3ccc(O)c(CN4CCOCC4)c3oc2=O)cc1 20426512 AMHXJTDQBLELFU-UHFFFAOYSA-N 367.401 3.006 10 50 FGCA biogenic CC(C)(C)NC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 1155809 IMAWKOZTZFVPBF-RAXLEYEMSA-N 366.483 3.332 10 50 FGCA COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1 5197870 NFAUJLIITSUBOR-BOPFTXTBSA-N 366.373 3.208 10 50 FGCA N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC=NN12 4949598 QTSPPPLERLPEOE-GTJUPXFKSA-N 367.346 3.104 10 50 FGCA COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 35851594 KQXKALOTYDOQRG-UHFFFAOYSA-N 363.461 3.490 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 40114276 LFOVPTWQLOMOPG-UHFFFAOYSA-N 360.841 3.320 10 50 FGCA CN1CCC2(CC1)CN(Cc1cc(C(C)(C)C)ccc1O)CCCN2C 67789796 QSHRBFCJLUSECC-UHFFFAOYSA-N 359.558 3.292 10 50 FGCA COc1cccc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)oc12 13676629 WXHYNMIPLPIOFQ-UHFFFAOYSA-N 366.417 3.208 10 50 FGCA O=[N+]([O-])c1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 19632975 OMTZPYLPOIPAFK-QPJJXVBHSA-N 353.422 3.131 10 50 FGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1195975 GDFLBBSMJWDIQR-XNTDXEJSSA-N 356.834 3.480 10 50 FGCA CN(C)c1ccc(/C=C2\N=C(c3cc4ccccc4oc3=O)OC2=O)cc1 1197165 DTFZRVCIEULTKX-BOPFTXTBSA-N 360.369 3.204 10 50 FGCA CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)CC1 4754561 NIAHQRMGLPFNFC-GHRIWEEISA-N 371.506 3.119 10 50 FGCA COc1ccc(N2CCN(Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 53771364 IKTCFHMODXXXIK-UHFFFAOYSA-N 364.449 3.376 10 50 FGCA O=C1C(=CNC2CC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 5562123 GVHPUKMNKVLPNX-UHFFFAOYSA-N 359.470 3.079 10 50 FGCA CN1C(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N(C)C1=S 980474 OTTOWMDGBSPZAN-UHFFFAOYSA-N 358.444 3.030 10 50 FGCA Cc1cc(I)cc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 4817416 QTTDZDKFEMOZEY-KWBADKCTSA-N 355.175 3.138 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 55562696 IPBYOZMASQYRGI-UHFFFAOYSA-N 353.466 3.073 10 50 FGCA CN(CCO)c1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1 1857684021 WAMVLWQBHDKLPH-PZJWPPBQSA-N 368.525 3.243 10 50 FGCA O=C1NN=C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)/C1=C1\CCCCCN1 100405662 CKXVSXSEBCDTSK-QBFSEMIESA-N 369.208 3.153 10 50 FGCA CS(=O)(=O)c1ccc(CN2CCCc3cc(OC(F)F)ccc32)o1 839509281 PIEXOCZQPBXCMG-UHFFFAOYSA-N 357.378 3.237 10 50 FGCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCCC[C@H]3CO)c2)c1 12245107 WNXUJOUJEPVCOP-KRWDZBQOSA-N 357.450 3.423 10 50 FGCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 22184954 QBGACHRKGQIBGJ-RIYZIHGNSA-N 360.211 3.037 10 50 FGCA COCCCN1C(=O)/C(=C\c2ccc(SC)cc2)C(C(=O)OC)=C1C 2075898 JXZOKRTUNKMZIL-VBKFSLOCSA-N 361.463 3.118 10 50 FGCA COc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1O 4725584 XKPUABBFALKOCC-INIZCTEOSA-N 368.477 3.490 10 50 FGCA COc1ccc(C2=C/C(=C3\OC(=O)c4ccccc43)C(=O)O2)cc1OC 22147523 HSIYLDWIPXVHGE-NBVRZTHBSA-N 350.326 3.183 10 50 FGCA COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)SC1=S 2975635 BUSQNGNSAGPGKU-YBEGLDIGSA-N 373.503 3.337 10 50 FGCA O=C(O)c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1 16156591 IQSOOSHARLCYKH-ZROIWOOFSA-N 370.361 3.196 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)cc3)C2=O)cc1 16662496 OGGJPMROJYOUKB-GDNBJRDFSA-N 355.781 3.227 10 50 FGCA CCOc1ccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cc1CO 20255893 QXLGDIDSBCPNHV-HXUWFJFHSA-N 372.484 3.471 10 50 FGCA CN(CC[C@H](O)c1ccccc1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506402002 LIXYCLRJXXNIET-FQEVSTJZSA-N 368.477 3.440 10 50 FGCA Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c(C)n1-c1ccccc1 426690235 GIXLVGTYSAGEAM-SFTDATJTSA-N 367.493 3.077 10 50 FGCA COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1[N+](=O)[O-] 4980356 MKZYMSGLZYZTTC-UHFFFAOYSA-N 374.374 3.263 10 50 FGCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(C)=O 5042422 FZGLXCGDLDCSIR-GZTJUZNOSA-N 350.374 3.427 10 50 FGCA COc1ccccc1/C=C1/C(=N)N2N=C(c3ccccc3)SC2=NC1=O 5102603 ABKARNAOPJQQGH-PLGUFMGPSA-N 362.414 3.363 10 50 FGCA Cc1cccnc1C[C@H](C)NC1CCN(c2ccc3c(c2)OCO3)CC1 67868583 BSUVASHQTQJJNL-INIZCTEOSA-N 353.466 3.308 10 50 FGCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(Cl)c1 849746 SIBOJGMPIZEJAY-HEUOVEHFSA-N 361.825 3.192 10 50 FGCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC[C@H]1CCCO1 100163421 FEXWYGALBSAPMZ-MNWMYKRDSA-N 370.478 3.452 10 50 FGCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 6660563 HAQSSPCORNCVLN-LFIBNONCSA-N 351.406 3.271 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2(C)C)cc1 95367935 JVQZTDOWAQJVRD-UHFFFAOYSA-N 366.465 3.104 10 50 FGCA CN(C)c1ccc(CNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 15767441 ZSFZQQWYFLWHEF-UHFFFAOYSA-N 360.457 3.305 10 50 FGCA O=C1NC(=O)C(=Cc2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1 2949332 HCBYAEYUTXTTEQ-UHFFFAOYSA-N 372.380 3.168 10 50 FGCA CCOC(=O)c1c(C)oc2cc(Br)c(O)c(CN(C)C)c12 19790815 PDFOXVIMQJRLDC-UHFFFAOYSA-N 356.216 3.448 10 50 FGCA Cc1ccccc1Cn1c(C)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 5102370 QJERPAROCVKICZ-UHFFFAOYSA-N 373.412 3.056 10 50 FGCA Cc1c(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)ccc([N+](=O)[O-])c1C 4481931 MNNBSSSKRURFJR-UHFFFAOYSA-N 355.306 3.061 10 50 FGCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 2979904 JMSVRUNMSPXJSZ-XMHGGMMESA-N 371.396 3.452 10 50 FGCA N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC=CN12 13522119 SAHMUNAOVTZMQU-DDRPPYOZSA-N 365.370 3.276 10 50 FGCA CN1C(=O)[C@@]2(NN=C(c3ccccc3)S2)c2cc(Br)ccc21 870179 GEXAYXAKZPOPPW-MRXNPFEDSA-N 374.263 3.277 10 50 FGCA Cc1cc(-c2csc(NC=C3C(=O)OC(C)(C)OC3=O)n2)ccc1F 2543500 PRSIMLRFBUKJSU-UHFFFAOYSA-N 362.382 3.390 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 1194094 FCDNMXZPTXNPNR-MDWZMJQESA-N 356.765 3.020 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 1233274 QWBNOCCAVVEGJG-GZTJUZNOSA-N 364.401 3.287 10 50 FGCA CCC1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1 5112136 VLVFHXXUVDMPPC-VKYSFVOOSA-N 363.240 3.478 10 50 FGCA CC(C)CCN1CCN(Cc2c(O)ccc3ccccc23)C[C@@H]1CCO 20999817 YRGUBSJWATYTKY-IBGZPJMESA-N 356.510 3.460 10 50 FGCA CCNc1ncc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cn1 97742653 HGVAXYXRMKVLAG-HNNXBMFYSA-N 353.470 3.075 10 50 FGCA CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 14011079 LVMUOGLTZIGUJL-VBKFSLOCSA-N 350.374 3.060 10 50 FGCA O=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2Cl)cc1 4558682 ZVROYWXEJXXQGA-VHEBQXMUSA-N 364.789 3.455 10 50 FGCA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 4676186 XYBPTBZKGRLFBV-MLDYKZIASA-N 374.462 3.275 10 50 FGCA Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 22135473 ZGQHSYVWASBYMT-AUWJEWJLSA-N 359.432 3.491 10 50 FGCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(Cl)c1 970777 SIBOJGMPIZEJAY-CCAPLTMGSA-N 361.825 3.192 10 50 FGCA COc1cccc(CN2CCN(c3nsc4ccccc34)CC2)c1O 65427367 GXYHUQWCNKQWII-UHFFFAOYSA-N 355.463 3.333 10 50 FGCA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 77437295 CUIRXEQNUHLHOT-MRXNPFEDSA-N 353.418 3.152 10 50 FGCA O=C1NC(=S)N=C(O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 2269599 IRCSUJVJORYAHZ-UHFFFAOYSA-N 356.378 3.159 10 50 FGCA N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 15800666 SPPGMQXXKXFQFK-UKMRQWHXSA-N 350.378 3.493 10 50 FGCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3O)C2=O)cc1 19788186 BYIJNCNCWDMOLL-WJDWOHSUSA-N 350.374 3.182 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)cc1 5392551 VZWHQDSWVQIDHO-UHFFFAOYSA-N 354.450 3.445 10 50 FGCA C[C@H]1CN(C2=NC(=O)/C(=C\c3c[nH]nc3-c3ccccc3)S2)C[C@@H](C)O1 4846038 CUBAANKEPOUECM-GTBQORPESA-N 368.462 3.156 10 50 FGCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 21487202 KTYGAQCRLRUJII-WTWVRAIASA-N 360.460 3.478 10 50 FGCA CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C 14009889 ACNQYJDZSXHWIO-YVLHZVERSA-N 368.393 3.126 10 50 FGCA CN1CCN(c2ccc(CNC[C@H]3CCO[C@@H]3c3ccccc3)cc2)CC1 328616634 BWTLTSAXGRVDIC-FYYLOGMGSA-N 365.521 3.306 10 50 FGCA CC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 4734821 GIOWRFSIGJMBBI-HXUWFJFHSA-N 354.450 3.201 10 50 FGCA COc1ccc(N2CC3(CN(C(=O)CCCCc4cccnc4)C3)C2)cc1 2100542795 FHUDAKPVJLDJOU-UHFFFAOYSA-N 365.477 3.152 10 50 FGCA COc1ccc(N2CCN(C(=S)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 2858620 VDBZIFILZPVJDT-UHFFFAOYSA-N 372.450 3.122 10 50 FGCA Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)N=C2O)c1 1220821 WHCXRDQUDCUIBE-LICLKQGHSA-N 351.406 3.130 10 50 FGCA O=C(NC[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 12373109 KRDZRLAKFCGOCS-CQSZACIVSA-N 359.857 3.083 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@H](C)C2)cc1 72125370 AKGUTZOSYGOTPT-OAHLLOKOSA-N 352.438 3.389 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ncoc3C3CC3)CC2(C)C)cc1 82115913 XUBNGGZBRGXXEU-UHFFFAOYSA-N 355.438 3.302 10 50 FGCA O=C(NC[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 12373108 KRDZRLAKFCGOCS-AWEZNQCLSA-N 359.857 3.083 10 50 FGCA Nc1ccc(CC(=O)NCC[C@H]2CCCCN2Cc2ccccc2)cc1 670458000 BJOBXJVVKNPYSO-OAQYLSRUSA-N 351.494 3.372 10 50 FGCA COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1O 13942504 DXUZMWJXBIHJFD-NVNXTCNLSA-N 372.808 3.132 10 50 FGCA CN1/C(=C/C=C2/SC(=S)N(CC(=O)O)C2=O)C(C)(C)c2ccccc21 5128031 WOANOBPXYMWGAU-UQNWOCKMSA-N 374.487 3.127 10 50 FGCA Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3C)C(=O)NC2=S)c1 16662498 KZSXWNSAEACNBE-PTNGSMBKSA-N 351.431 3.047 10 50 FGCA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 4613965 VRJCVLURZYXJNO-QWRGUYRKSA-N 365.451 3.243 10 50 FGCA Cc1c(CCNC(=O)N(C)Cc2cnn(C)c2)c2cccc3c2n1CCC3 426580938 HDRUJHDWOCJILB-UHFFFAOYSA-N 365.481 3.014 10 50 FGCA CC[C@H](C)N1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(=O)NC1=S 5891879 CHIGNHSKDFYBGF-GQVHDAKQSA-N 355.463 3.086 10 50 FGCA Oc1c(CN2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12 13060306 OPEJNANYABTIGC-UHFFFAOYSA-N 354.841 3.311 10 50 FGCA in-vivo CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)CC1 72437194 FQRORCUTLMIJNK-UHFFFAOYSA-N 361.848 3.161 10 50 FGCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1220122 POLAXLQUQUEMGA-RNQWEJQRSA-N 364.492 3.063 10 50 FGCA Cc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccco3)C1=O)C(=O)N2 12436852 HTCALYKVGYKSJL-YPKPFQOOSA-N 356.428 3.312 10 50 FGCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 15855843 ZKKVKWUVXGDHKC-YERBQUFUSA-N 362.414 3.368 10 50 FGCA C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccs3)cc2)C1 67602093 VSHSWAJKELMELB-AWEZNQCLSA-N 350.509 3.463 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1 13576689 TWEYKSNBDAIHHH-DHDCSXOGSA-N 370.455 3.247 10 50 FGCA O=C(C1CCN(Cc2ccccc2O)CC1)N1CCc2ccccc2C1 2828237 FWVVILOECRFOSK-UHFFFAOYSA-N 350.462 3.189 10 50 FGCA COc1ccc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 5392545 BHBSFZJZUWKWMO-UHFFFAOYSA-N 363.461 3.458 10 50 FGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 3877525 CUPPLOKIXQLWEB-LDADJPATSA-N 350.378 3.467 10 50 FGCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 5061609 QECZPCSXINXMEZ-YFHOEESVSA-N 365.172 3.345 10 50 FGCA CC(C)Cc1cc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)on1 952973215 NBCUPOOGFZTXJT-UHFFFAOYSA-N 357.454 3.360 10 50 FGCA c1ccc([C@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)CCO2)cc1 952983360 PNDUMWKEYUJCOA-JOCHJYFZSA-N 366.461 3.458 10 50 FGCA O=C1c2ccccc2C(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc21 3901817 RFYZWKOJUIUJSM-UHFFFAOYSA-N 353.333 3.263 10 50 FGCA Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(C(=O)O)c(N)n2n1 4085538 DFNIBTYTEKPVFC-UHFFFAOYSA-N 353.407 3.146 10 50 FGCA CN(C)Cc1c(O)ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12 19883097 SJJUEMGTRSYBOE-UHFFFAOYSA-N 361.401 3.413 10 50 FGCA COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113203 YCBGFNOEQSTXKA-UHFFFAOYSA-N 360.479 3.164 10 50 FGCA CCOc1cccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)c1 6715916 FVJVGSOBYFBALE-UHFFFAOYSA-N 356.422 3.183 10 50 FGCA C[C@@H](C(=O)Nc1cccnc1Cl)N1CCOc2cc(N(C)C)ccc21 130453826 LLVIWUNELDZUDT-LBPRGKRZSA-N 360.845 3.027 10 50 FGCA CN(C)c1ccc(CN2CCC(n3cc(-c4cccnc4)nn3)CC2)cc1 48187627 FEQUYDQIPYILEL-UHFFFAOYSA-N 362.481 3.243 10 50 FGCA O=S(=O)(Nc1cccc(Br)c1)c1cccc2nsnc12 829999 RFSFOIANSKBRIP-UHFFFAOYSA-N 370.253 3.255 10 50 FGCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1207428 NSJLEMBWTUEBMK-LFIBNONCSA-N 370.792 3.405 10 50 FGCA CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CCCCC2 5598537 QZNZVBOLUYKURI-UHFFFAOYSA-N 353.440 3.085 10 50 FGCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)NC2=O)o1 13382267 MIKZZXMWRNGMPD-QPEQYQDCSA-N 362.388 3.352 10 50 FGCA CCCC1=NN2C(=N)/C(=C/c3cc(OC)ccc3OC)C(=O)N=C2S1 4811332 QQCJNTZGEBPPOS-LRMJRWEHSA-N 358.423 3.123 10 50 FGCA CCc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1 12413219 FAWVOJTUXQDLMJ-ZCWPUFOUSA-N 355.434 3.101 10 50 FGCA COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1O 631775 FDPDOEISHNYTBN-WJDWOHSUSA-N 353.349 3.409 10 50 FGCA Cc1cc(/C=C2/C(=O)N=C(O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 17246150 DRBTZXPAKVUTBF-DHDCSXOGSA-N 357.797 3.044 10 50 FGCA Cc1cc(C(=O)N[C@]2(CCO)CCOC2)c(C)n1-c1cccc(Cl)c1 225566726 USCRRVCLORNKLG-LJQANCHMSA-N 362.857 3.019 10 50 FGCA CC(C)c1nc(/C=C/c2ccc(N3CCOCC3)cc2)ncc1C(=O)O 170635751 BWESKGZLCIFCLI-VMPITWQZSA-N 353.422 3.305 10 50 FGCA CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1191373 KITTZWWFYZEXRZ-XFXZXTDPSA-N 355.868 3.494 10 50 FGCA COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2SC)c1O 14954324 RIXIPIIFDGJUPU-HOCLYGCPSA-N 370.474 3.112 10 50 FGCA COc1ccc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 16662729 DOVRFJIUIPHMFJ-GQCTYLIASA-N 353.422 3.439 10 50 FGCA CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1133290 KBRZJGPGVUHDMD-GXDHUFHOSA-N 371.437 3.095 10 50 FGCA O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 5017390 ZNWYGQPSLZVNHI-ZSOIEALJSA-N 374.399 3.412 10 50 FGCA CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 13331712 LBXNGMACPOTLKF-HXUWFJFHSA-N 372.440 3.341 10 50 FGCA COc1cccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c1O 5746176 AOKGGOAWUQWHIS-UHFFFAOYSA-N 360.498 3.452 10 50 FGCA Cc1cc(C(=O)N[C@@]2(CCO)CCOC2)c(C)n1-c1cccc(Cl)c1 225566758 USCRRVCLORNKLG-IBGZPJMESA-N 362.857 3.019 10 50 FGCA CN(C)c1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)O)cc1 4817231 ADETYNXHGKOOCO-INIZCTEOSA-N 371.462 3.357 10 50 FGCA CC[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 4734820 GIOWRFSIGJMBBI-FQEVSTJZSA-N 354.450 3.201 10 50 FGCA CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 1174294 LQHKHDFGSYTRNV-MHWRWJLKSA-N 370.792 3.405 10 50 FGCA COCCn1ccnc1CNCCc1c(C)n2c3c(cccc13)CCC2 952971610 FLFBQYNKSWQXDE-UHFFFAOYSA-N 352.482 3.071 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCC3)C2=O)cc1 13809902 PKWGBVFDEFYOLW-QINSGFPZSA-N 360.504 3.209 10 50 FGCA Cc1cccc(=O)n1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 97814839 OAERNWSTPLPFKG-KRWDZBQOSA-N 367.493 3.100 10 50 FGCA COc1ccc(N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 1124333 YFMDYQGJORDASY-UHFFFAOYSA-N 354.450 3.040 10 50 FGCA O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1O 827409 IYXVQCOFRPSVQV-INIZCTEOSA-N 350.296 3.002 10 50 FGCA COc1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)c(O)c1 19770627 IOPMTCPHYXDVFR-FQEVSTJZSA-N 352.478 3.424 10 50 FGCA O=C(Cc1ccc(Cl)cc1F)NCc1ccc(N2CCOCC2)cc1 71384608 OFZMPQRDINDSGR-UHFFFAOYSA-N 362.832 3.175 10 50 FGCA CCN1C(=O)/C(=C\c2cc(Br)cc(OC)c2O)SC1=S 5017578 XCXMDMYJHGEQAC-BJMVGYQFSA-N 374.281 3.384 10 50 FGCA O=C(O)c1cncc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1 828568712 JXRLPPMXDZHYDE-UHFFFAOYSA-N 368.348 3.295 10 50 FGCA biogenic O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)c(O)c2ncccc12 4844856 RWSKCMWORGMGJE-UHFFFAOYSA-N 364.405 3.171 10 50 FGCA CCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)c(OCC)c1 15010768 FRQMIUVNINYKSF-GDNBJRDFSA-N 367.492 3.332 10 50 FGCA COc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 13323227 ZDEMIMBXKQXLSN-GOSISDBHSA-N 367.493 3.003 10 50 FGCA O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 5043652 LLPPRWQGHVXABR-QGZVFWFLSA-N 352.390 3.325 10 50 FGCA Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)cc([N+](=O)[O-])c1C 5102739 VWSMCBYGOGVJLO-UHFFFAOYSA-N 371.374 3.226 10 50 FGCA O=C1/C(=C/c2c[nH]nc2-c2ccccc2)SC(=S)N1C[C@@H]1CCCO1 1164526 ZBQHGRIEBQRDNG-BUYRESAOSA-N 371.487 3.457 10 50 FGCA Cc1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 681112 BYUQISJAZZUKLB-UHFFFAOYSA-N 367.474 3.001 10 50 FGCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC[C@@H]1CCCO1 100163417 FEXWYGALBSAPMZ-REQDGWNSSA-N 370.478 3.452 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 239235244 VQNQQBXEORLNLV-RKVPGOIHSA-N 371.418 3.069 10 50 FGCA COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 723696 FXLKNNQWUAUHQO-GXDHUFHOSA-N 367.317 3.110 10 50 FGCA Cc1ccc2[nH]c(C)c(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2c1 1162089 FJFVQAHSRVPKKZ-WOJGMQOQSA-N 373.412 3.447 10 50 FGCA Cc1cccc(=O)n1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 97814842 OAERNWSTPLPFKG-QGZVFWFLSA-N 367.493 3.100 10 50 FGCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1O 13576101 WHOZEUDSRKOBDA-POHAHGRESA-N 374.281 3.384 10 50 FGCA Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c(C)c([N+](=O)[O-])c1 1051350 CLSSCLQBLUTPEM-UHFFFAOYSA-N 371.374 3.226 10 50 FGCA CCCOc1ccccc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 16213028 XHPFIGMSNIVABK-RAXLEYEMSA-N 351.449 3.151 10 50 FGCA COc1ccc(O)c(CN2CCN(Cc3ccc(SC)cc3)CC2)c1 19792276 SCULCXUYBNSHLY-UHFFFAOYSA-N 358.507 3.441 10 50 FGCA COc1ccc(N2CCN(C(=O)COc3cccc(C)c3C)CC2)cc1 1132415 HVHUVYXTJBIGOY-UHFFFAOYSA-N 354.450 3.040 10 50 FGCA Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 772997288 FXKYASNDDQGFGT-LBPRGKRZSA-N 367.478 3.466 10 50 FGCA COc1ccc(C2=C/C(=C/c3ccc(O)c(OC)c3)C(=O)O2)c(OC)c1 657170 QILMPGVBKOJZSJ-JYRVWZFOSA-N 354.358 3.399 10 50 FGCA Oc1ccc(Br)cc1CN1CCN(Cc2ccco2)CC1 19358913 AVFKVJVRAWBXDY-UHFFFAOYSA-N 351.244 3.066 10 50 FGCA CCOCc1cc(CN[C@H]2COc3c(cccc3OC)C2)ccc1OC 14958202 BLJAAETUUVEJLT-GOSISDBHSA-N 357.450 3.334 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1Cl 15013092 JGTMHRCMSRKDJE-UTGYAATFSA-N 356.765 3.464 10 50 FGCA O=C(O)CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 101343507 PPEKDYIIMWJSGI-QINHECLXSA-N 366.392 3.467 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(OC)c(C(=O)O)c3)[C@@H](C)C2)cc1 72125678 KBNCXEUFRRWZGM-HNNXBMFYSA-N 370.449 3.113 10 50 FGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1ccccc1 100149201 ANDKAZZDENCDEW-QGOAFFKASA-N 350.378 3.034 10 50 FGCA Cc1noc(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 237623504 HZDIFURUBNYDTA-UHFFFAOYSA-N 369.387 3.437 10 50 FGCA COc1ccccc1/C=C1\SC(=S)N(Nc2nc(C)cc(C)n2)C1=O 1201910 YWDAARKZWPIJRZ-ZROIWOOFSA-N 372.475 3.330 10 50 FGCA c1cn(-c2ccc(N3CCN(Cc4ccc(N5CCC5)cc4)CC3)cc2)cn1 2325872239 OEWOFIDZWRQXNA-UHFFFAOYSA-N 373.504 3.405 10 50 FGCA COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2cccc(Cl)c2)c(O)c1 299774821 JMRFDNVYMZYSAM-RDJZCZTQSA-N 358.825 3.044 10 50 FGCA Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)NC2=S)cc1 1195368 SXRXSBISZPZENL-XNTDXEJSSA-N 356.834 3.480 10 50 FGCA COc1cc(C)c(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1C 15836513 TTWVDLNXVWXSFG-WJDWOHSUSA-N 356.422 3.107 10 50 FGCA Cc1nn(CCO)c(C)c1CNCCc1c(C)n2c3c(cccc13)CCC2 952873542 LJCUQJGOXTXKOD-UHFFFAOYSA-N 366.509 3.034 10 50 FGCA O=C1N=C(O)/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 1225696 RMBFDWDNQZWFFN-GXDHUFHOSA-N 351.318 3.097 10 50 FGCA OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 95499210 DQKZFFAHBFWPML-IBGZPJMESA-N 360.885 3.114 10 50 FGCA COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])cc1OC 16512519 JTQCURYQPCFEPC-DHDCSXOGSA-N 367.361 3.418 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(OC)c(C)c3OC)CC2)cc1 1227039 KGFDDJAZDJLWLH-UHFFFAOYSA-N 356.466 3.343 10 50 FGCA Cc1ccc(N2NC(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1 4471492 DMYJUXHACAFZLA-GDNBJRDFSA-N 357.207 3.219 10 50 FGCA COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 5021072 UCGQTYPPDYLQHS-MNOVXSKESA-N 365.451 3.243 10 50 FGCA O=C(NC1(Nc2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 3039804 OBWXVRNVILJQCL-UHFFFAOYSA-N 356.381 3.304 10 50 FGCA Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3Cl)C2=O)c1 100401430 SMSOHQYHOWVPPW-RAXLEYEMSA-N 355.781 3.227 10 50 FGCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 1161132 PVSQWYLRCYCHCK-GDNBJRDFSA-N 368.345 3.061 10 50 FGCA COc1ccc(OC)c(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c1 17028527 ZOSCTIDVCDIABT-RVDMUPIBSA-N 352.346 3.211 10 50 FGCA CCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 780106 AWPCPWKYCRJFOM-UHFFFAOYSA-N 355.390 3.202 10 50 FGCA Oc1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)c2ccccc12 922493866 QGRMACSAGPMKQN-UHFFFAOYSA-N 363.461 3.191 10 50 FGCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 16133837 YZGMMKKSMUKBLU-NBVRZTHBSA-N 369.465 3.327 10 50 FGCA COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 12445305 CGPLORAEKMSDPW-GDNBJRDFSA-N 354.381 3.193 10 50 FGCA CCCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(=O)NC1=S 5808046 VCRBUSXULANOBA-PTNGSMBKSA-N 355.463 3.088 10 50 FGCA CCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 7496710 JSSLNDSEVMPVTM-UHFFFAOYSA-N 356.422 3.183 10 50 FGCA COc1ccc(/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1106975 FVLPARIQEAYERN-LFYBBSHMSA-N 352.434 3.066 10 50 FGCA COc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1 15800613 JHCXRBLSGWGXIT-GQECEEOXSA-N 362.414 3.363 10 50 FGCA C/C(=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1)N(C)C 5044415 NBRYKMCQPHIWOQ-LGMDPLHJSA-N 350.378 3.181 10 50 FGCA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)ccc2nsnc12 2906998 LCPHBAIHKVRCTO-UHFFFAOYSA-N 364.408 3.017 10 50 FGCA Oc1ccccc1CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 20996843 PBKOEISOYGMITL-IBGZPJMESA-N 369.484 3.318 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccn(C(F)F)n3)CC2(C)C)cc1 95388962 PXZRIHRGAZIOBT-UHFFFAOYSA-N 364.396 3.028 10 50 FGCA CCCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 2991990 FWEYSBWFZXBCIR-GHRIWEEISA-N 366.417 3.336 10 50 FGCA CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCC2 2081358 WSUNAFGFKQEHAA-UHFFFAOYSA-N 353.440 3.387 10 50 FGCA O=C(O)C[C@H](NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)O 71767400 KQRNGKSRSYXPKA-PXKHIBQASA-N 356.338 3.151 10 50 FGCA CCOc1ccc(CN2CCN(c3ccc(OC)cc3)C[C@H]2C)cc1CO 244773738 PFOPRRVORIZMSL-QGZVFWFLSA-N 370.493 3.297 10 50 FGCA COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 13108905 XOXZOTAMURRIRX-YVLHZVERSA-N 354.381 3.193 10 50 FGCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Cl 1204949 XOZKCCYDKSUJOK-AUWJEWJLSA-N 371.780 3.326 10 50 FGCA O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1O 4142609 IYXVQCOFRPSVQV-MRXNPFEDSA-N 350.296 3.002 10 50 FGCA CCCCn1c(=O)c(C(=O)Nc2ccc(N)cc2)c(O)c2ccccc21 100502042 REUFKMZHYKRDTD-UHFFFAOYSA-N 351.406 3.342 10 50 FGCA CN1CCCc2cc(CNC[C@@H]3CCCO[C@H]3c3nccn3C)ccc21 850099386 JDOUJTGDLSBNLI-AZUAARDMSA-N 354.498 3.060 10 50 FGCA C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccs3)cc2)C1 67602092 VSHSWAJKELMELB-CQSZACIVSA-N 350.509 3.463 10 50 FGCA CCN1C(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N(CC)C1=S 1151408 YVLKLZGNBSEQMD-UHFFFAOYSA-N 371.506 3.056 10 50 FGCA COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(C)cc34)CC2)cc1 54105892 GQVOIJALBXYCPR-UHFFFAOYSA-N 364.445 3.432 10 50 FGCA aggregator,biogenic Cc1nn(C)c2c1[C@@H](NC1CCN(c3ccc4c(c3)OCO4)CC1)CCC2 1857686985 LYTPUJJVUOPSBJ-KRWDZBQOSA-N 368.481 3.093 10 50 FGCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(Nc2ccccc2)C1=O 1187396 MPEPMCNOUMKITO-YPKPFQOOSA-N 353.428 3.237 10 50 FGCA c1cc2c(cc1N1CCC(NCc3noc([C@@H]4CCCO4)n3)CC1)CCC2 1506397190 QVLPHCJROLGLJW-IBGZPJMESA-N 368.481 3.168 10 50 FGCA CN(Cc1cnc2ccccn12)C1CCN(c2ccc3c(c2)OCO3)CC1 1506414552 FNXYWFGWXADNFZ-UHFFFAOYSA-N 364.449 3.164 10 50 FGCA CN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)SC1=S 15011957 QPWDODKAXAESMO-YRNVUSSQSA-N 357.298 3.346 10 50 FGCA Cc1ccnn1CCC(=O)NCCc1c(C)n2c3c(cccc13)CCC2 670469183 NAKHKIHCMOCQDF-UHFFFAOYSA-N 350.466 3.150 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)cc1 16605990 CUVIHNHFLZYMSU-KRWDZBQOSA-N 354.450 3.120 10 50 FGCA COC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 19683200 AADJALJXYKSCIB-UHFFFAOYSA-N 353.447 3.223 10 50 FGCA Cc1cc(I)cc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 5583721 QTTDZDKFEMOZEY-NRUUGDAUSA-N 355.175 3.138 10 50 FGCA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1cccnc1 13894627 JJRXAKGRANNYEP-ZSOIEALJSA-N 357.416 3.391 10 50 FGCA COc1ccc(CCNCc2cc(-c3ncccn3)ccc2O)cc1OC 14961348 GNJPQQBDMJFRTH-UHFFFAOYSA-N 365.433 3.199 10 50 FGCA O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1ccc2c(c1)OCO2 20110093 HSRWAWNXXYDESJ-VIZOYTHASA-N 368.370 3.196 10 50 FGCA O=C(c1ccco1)N1CCN(Cc2cc(-c3cccnc3)ccc2O)CC1 299783920 VQVRSKXROSXSTD-UHFFFAOYSA-N 363.417 3.005 10 50 FGCA Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C 6069214 UJCACMLMPLLRGW-UHFFFAOYSA-N 374.414 3.495 10 50 FGCA biogenic,in-vitro COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl 13800483 PXENVVPIVFUIOI-QPEQYQDCSA-N 374.755 3.154 10 50 FGCA CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 2479979 RQVMNXQKDXOJDE-UHFFFAOYSA-N 353.440 3.085 10 50 FGCA Oc1ccccc1CN1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 20996841 PBKOEISOYGMITL-LJQANCHMSA-N 369.484 3.318 10 50 FGCA COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 1195012 USLXOBUSQMRNPT-XNTDXEJSSA-N 370.792 3.323 10 50 FGCA CO[C@H](CNC1CCN(c2ccc3c(c2)OCO3)CC1)c1cccs1 65526319 OYTZCGJFSOJQAG-GOSISDBHSA-N 360.479 3.423 10 50 FGCA COc1cccc2c1C(=O)c1c(ccc(/C=C/COC(C)=O)c1OC)C2=O 5226853 MXHQMZNSAPVFOL-AATRIKPKSA-N 366.369 3.056 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169307514 TZCNHRPXIUGBPZ-IIDMSEBBSA-N 371.418 3.069 10 50 FGCA COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1O)NCC2 22204801 IACLQLCVZLFYQT-KRWDZBQOSA-N 364.239 3.407 10 50 FGCA CCCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 13331716 YROXAJZLTCLCAG-UHFFFAOYSA-N 354.450 3.446 10 50 FGCA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 727054 ZOXBGFUBFNJRKC-IBGZPJMESA-N 364.449 3.328 10 50 FGCA Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2/C(=O)NC(=O)N=C2O)o1 2891727 FFTROZJFJDKSFW-UHFFFAOYSA-N 355.306 3.061 10 50 FGCA CCCOc1cc(/C=C2\C(=O)NC(C)=C2C(=O)OCC)ccc1OCC 5022968 GCNNXEMZQKLHRO-PTNGSMBKSA-N 359.422 3.224 10 50 FGCA CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 1171467 NAUQVFKPWVVWBO-LDADJPATSA-N 364.401 3.369 10 50 FGCA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 4455985 LMWOVQPGLVEABC-MOTZXUDYSA-N 357.454 3.280 10 50 FGCA Cc1cccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 3465192 UTBDLXSPJFDKIJ-JLHYYAGUSA-N 369.421 3.186 10 50 FGCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 1066726 VUYZEDYDSXOJNK-XICJKMHVSA-N 362.385 3.308 10 50 FGCA CCC(=O)N1N=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1O 170615687 JBYRLEUGZLCTCS-GOSISDBHSA-N 354.406 3.497 10 50 FGCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 13773888 ULLUSRLWUGLJBY-UVTDQMKNSA-N 371.190 3.116 10 50 FGCA O=c1/c(=C\c2ccc(N3CCCCC3)cc2)sc2nc3ccccc3n12 4472031 SFWHSRXGBVNWND-XMHGGMMESA-N 361.470 3.447 10 50 FGCA COC(=O)c1sc2nc(-c3ccccn3)c(Br)cc2c1N 22995902 HJMYZPYMFLAYEE-UHFFFAOYSA-N 364.224 3.490 10 50 FGCA COc1ccc(O)c(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 11813033 WAFXIASSCDLPRX-NRFANRHFSA-N 359.441 3.357 10 50 FGCA COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 4124201 FOCPDNCUJACZMK-JTQLQIEISA-N 367.467 3.489 10 50 FGCA COCCOC(=O)c1c(C)oc2ccc(O)c(CN3CCC(C)CC3)c12 2417372 QIJSLQYSPDROLF-UHFFFAOYSA-N 361.438 3.482 10 50 FGCA biogenic O=C(O)CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1916880 XTSOELVQZHNYGU-RAXLEYEMSA-N 351.449 3.238 10 50 FGCA C[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 10113294 YATLGJKOSGMNQP-INIZCTEOSA-N 356.491 3.320 10 50 FGCA CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O 3894214 BCOXFXYXYHLXCE-KRWDZBQOSA-N 351.362 3.464 10 50 FGCA Cc1nc([C@H]2CCCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)n[nH]1 1506411235 HLCWJFRTVZNZMT-IBGZPJMESA-N 365.525 3.450 10 50 FGCA O=C1OCC2(CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)O1 1506403004 LTQXTKOYKABNSL-UHFFFAOYSA-N 356.466 3.146 10 50 FGCA Cc1ccc(COc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 1180458 QDBBBBFGMAZCPP-UHFFFAOYSA-N 364.401 3.008 10 50 FGCA COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl 72441559 LCSACTKKPHOEFK-UHFFFAOYSA-N 360.841 3.115 10 50 FGCA COc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2SC)c(O)c1 12244869 MIPYKPUHWUMKHG-YOEHRIQHSA-N 370.474 3.112 10 50 FGCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(C)C1=S 1184210 STKGIQXJWHLUKP-UHFFFAOYSA-N 360.822 3.199 10 50 FGCA COc1ccc(OC)c(C2=C/C(=C/c3ccc(O)c(OC)c3)C(=O)O2)c1 843814 JYRXHAJYIDYGBA-JYRVWZFOSA-N 354.358 3.399 10 50 FGCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccnc1 101152986 NILZRAMUEUWCCQ-ATVHPVEESA-N 363.446 3.478 10 50 FGCA O=C1CC[C@]2(CCCN(Cc3ccccc3O)C2)CN1Cc1ccncc1 72474841 REWBIKNMJDQBAX-QFIPXVFZSA-N 365.477 3.192 10 50 FGCA CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccsc4)c23)CC1 218447069 BYQRNMURIHRNBU-UHFFFAOYSA-N 356.447 3.178 10 50 FGCA Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)O)c1 1172845 YJQHINYTKHRISI-DHDCSXOGSA-N 356.403 3.458 10 50 FGCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1CC(=O)O 4172154 JKXLUHFYNUHVHI-UHFFFAOYSA-N 352.184 3.019 10 50 FGCA COc1ccc(N2CCN(Cc3cnc(SC)nc3)CC2(C)C)cc1 72161320 OYOHZNVHVWHUTH-UHFFFAOYSA-N 358.511 3.308 10 50 FGCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 1174429 QZRAKMKISOICHV-GXDHUFHOSA-N 370.792 3.323 10 50 FGCA Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)n1 1201001 OQCYDPMOBIFKGI-JYRVWZFOSA-N 358.448 3.027 10 50 FGCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(C)o4)C3)CC2)cc1 19791249 DXBGZNCVNVHPER-FQEVSTJZSA-N 369.509 3.383 10 50 FGCA COc1ccc([C@H](NC(C)=O)c2ccc3cccnc3c2O)cc1OC 1216656 DABPCQYLGSZBAM-SFHVURJKSA-N 352.390 3.183 10 50 FGCA Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@](O)(C(F)(F)F)C1 183093499 HBSRDLISELISPL-SFHVURJKSA-N 367.367 3.470 10 50 FGCA CCN(CC)c1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 1132786 TWMYRQLLICUFEG-YGRGUWMTSA-N 362.451 3.131 10 50 FGCA COc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 54285375 WETASGOQWKGOQG-UHFFFAOYSA-N 360.841 3.115 10 50 FGCA Fc1ccccc1-c1cnnc(NCc2ccc(N3CCOCC3)cc2)n1 12315925 XKCBOXCAMXRGNX-UHFFFAOYSA-N 365.412 3.126 10 50 FGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)cc1OC 1164060 AJOPWLCCEFOSNH-SXGWCWSVSA-N 359.422 3.032 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 101846368 TZCNHRPXIUGBPZ-RVKKMQEKSA-N 371.418 3.069 10 50 FGCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1CCC(=O)O 4180642 MCFIWWZBEUXLJM-UHFFFAOYSA-N 366.211 3.410 10 50 FGCA Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCCCC3)cc2)cn1 275441030 FWTBKOXKKFARJA-LEWJYISDSA-N 354.498 3.420 10 50 FGCA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 1192669 CJVWLXHXFOUTIQ-JXAWBTAJSA-N 367.449 3.081 10 50 FGCA COc1ccc(N2CCN(C(=O)CCc3ccccn3)CC2(C)C)cc1 82116014 XNCMOFPUWRZLAZ-UHFFFAOYSA-N 353.466 3.150 10 50 FGCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1ccco1 15659375 ORVGTRYOUVKRBF-NTOUICHMSA-N 358.806 3.321 10 50 FGCA CN1C(=O)/C(=C2\SC(=S)N(c3ccc(O)cc3)C2=O)c2ccccc21 1009683 BZXJHYUCADSZME-PFONDFGASA-N 368.439 3.145 10 50 FGCA CC(=O)N1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1 20911712 CRPGCEVHLVRCOC-UHFFFAOYSA-N 367.474 3.333 10 50 FGCA O=C(Nc1ccc2c(c1)CN(Cc1ccccc1O)CC2)[C@@H]1CCCO1 11997754 LHDHGCCHDMXYQZ-FQEVSTJZSA-N 352.434 3.068 10 50 FGCA C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1748035 XLUYPDFTJMZMFG-LWYMYGMPSA-N 372.265 3.123 10 50 FGCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1786488 VRKITGGQGSFAON-VWLVURMCSA-N 367.517 3.403 10 50 FGCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 1130711 MSPCGXFXSKMKDJ-XYOKQWHBSA-N 360.822 3.381 10 50 FGCA COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 5021073 UCGQTYPPDYLQHS-QWRGUYRKSA-N 365.451 3.243 10 50 FGCA COc1ccc(OC)c(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1 5073341 XEZBFVWFRFUANP-BOPFTXTBSA-N 366.373 3.208 10 50 FGCA COc1ccc(N2CCN(C(=O)CSCc3ccccc3)CC2)cc1 1147267 RHDABYSMIIJXNE-UHFFFAOYSA-N 356.491 3.277 10 50 FGCA COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccccc1O)NC3=O 719258 CEWJALJJJXKAQQ-MRXNPFEDSA-N 355.419 3.311 10 50 FGCA O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCCC1 363187336 LGIYBTKWWJRUIS-CYBMUJFWSA-N 357.376 3.217 10 50 FGCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\Nc1ccccc1Cl 2892915 CJSZTINJBMYNRW-KTKRTIGZSA-N 359.744 3.058 10 50 FGCA C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 10113295 YATLGJKOSGMNQP-MRXNPFEDSA-N 356.491 3.320 10 50 FGCA O=C1N=C(O)/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N1Cc1ccccc1 1183471 CRZXMQKJAYTOIZ-WOJGMQOQSA-N 372.384 3.375 10 50 FGCA CCN1C(=O)/C(=C/c2ccc(I)o2)SC1=S 1090500 SCVAFGWDLXPFBD-ALCCZGGFSA-N 365.217 3.105 10 50 FGCA CC(C)Oc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 67629925 DJURNHGNMNNGNB-UHFFFAOYSA-N 367.493 3.156 10 50 FGCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC(C)=O 6654812 SCMJKILVNNDWFO-ZROIWOOFSA-N 351.449 3.232 10 50 FGCA O=C(NCCc1ccccc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623061 UQLPKDHIKIYTCI-UHFFFAOYSA-N 358.401 3.500 10 50 FGCA COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1O 13940035 WQMSYRIQMJKJMR-NVNXTCNLSA-N 358.444 3.197 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1Cl 4471028 GPKWWSRNHZNDTE-ZSOIEALJSA-N 358.756 3.454 10 50 FGCA COC(=O)C1=C(C)N[C@@H](c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 100245030 CEQKYXRUKRQKBZ-LJQANCHMSA-N 367.401 3.126 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)cc1 6044726 HFIBBCJXBRXUHR-KRWDZBQOSA-N 354.450 3.120 10 50 FGCA CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 170597575 ITSCTYZBQZMXRA-KBPBESRZSA-N 368.499 3.098 10 50 FGCA COCc1cc(CNCc2csc(-c3cnccn3)n2)ccc1OC 952991744 UYSWUARNSZXUNG-UHFFFAOYSA-N 356.451 3.045 10 50 FGCA CCn1c(-c2ccc(Br)cc2)cnc1SCc1nn[nH]n1 913398987 ZJRNSISQJOLCCE-UHFFFAOYSA-N 365.260 3.138 10 50 FGCA CC(C)CN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 2819130 DWCNJAQQBPVKBJ-QPEQYQDCSA-N 351.449 3.007 10 50 FGCA CCc1ccc(N2NC(=O)/C(=C/c3cc(Cl)cc(OC)c3O)C2=O)cc1 4803832 ATPIJJRLFCMARG-DHDCSXOGSA-N 372.808 3.078 10 50 FGCA COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2cccc(Cl)c2)c1O 299796073 OAVVAQOPLFNPJB-HOTGVXAUSA-N 358.825 3.044 10 50 FGCA COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 15822904 IMNOQKSOVCNZEZ-XFXZXTDPSA-N 374.755 3.154 10 50 FGCA COc1ccc(N2CC3(CN(C(=O)c4ccc5ncsc5c4)C3)C2)cc1 2100482883 FBMTZAXVFDHRNO-UHFFFAOYSA-N 365.458 3.267 10 50 FGCA C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 72117397 XZRDGQXIXXPHAQ-JKSUJKDBSA-N 372.440 3.307 10 50 FGCA COCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C(C(=O)OC)=C1C 2198317 IIWGCECRQJAZPG-WQLSENKSSA-N 370.232 3.312 10 50 FGCA COc1ccc(CNCc2ccc3nsnc3c2)cc1Cn1cccn1 952983987 SJFWPCZHGDJBQR-UHFFFAOYSA-N 365.462 3.235 10 50 FGCA Cc1c(CCNC(=O)c2ccn(C(F)F)n2)c2cccc3c2n1CCC3 670458012 FPBSQOFVDOSEOH-UHFFFAOYSA-N 358.392 3.460 10 50 FGCA Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)c([N+](=O)[O-])cc1C 3109026 QYTPDYMLXCOCAT-UHFFFAOYSA-N 355.306 3.061 10 50 FGCA COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)c1 722190 VRVWZVKLZZGFET-UHFFFAOYSA-N 355.390 3.448 10 50 FGCA in-vitro CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 170597577 ITSCTYZBQZMXRA-UONOGXRCSA-N 368.499 3.098 10 50 FGCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(F)cc1 2915495 XQYLCKUADKMRIJ-RIYZIHGNSA-N 360.797 3.310 10 50 FGCA N=C1/C(=C/c2cccs2)C(=O)N=C2SC(COc3ccccc3)=NN12 4408755 SDMUNQZAQZDMHB-CRFANRBNSA-N 368.443 3.446 10 50 FGCA COc1ccc(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 2836521 OKSSAPXFRLBTSE-UHFFFAOYSA-N 374.506 3.131 10 50 FGCA CCN(CC)c1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1 5049488 PNNRJKLVEWMIAZ-QINSGFPZSA-N 350.509 3.380 10 50 FGCA CN(C)c1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)O)cc1 4817232 ADETYNXHGKOOCO-MRXNPFEDSA-N 371.462 3.357 10 50 FGCA Cc1ccccc1/C=C1/C(=O)N(c2ccc(C(=O)O)cc2)C(=O)N=C1O 16156575 JZYMQYJOPYQMMG-XNTDXEJSSA-N 350.330 3.200 10 50 FGCA COc1ccc(N2CCN(C(=O)Nc3ccc4nc(C)[nH]c4c3)CC2)cc1 96142149 VJDIGKURTBSXDD-UHFFFAOYSA-N 365.437 3.234 10 50 FGCA C[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1 67894990 DRZCJFRTJBFIPH-ZDUSSCGKSA-N 370.478 3.444 10 50 FGCA CCc1cc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc(=O)[nH]1 97578653 OKJGWFPCRLEYNK-HNNXBMFYSA-N 353.466 3.104 10 50 FGCA CN(C)c1ccc(/C=C/CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4981010 XJZLOYZOBPHYOH-ONEGZZNKSA-N 366.465 3.496 10 50 FGCA COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)O)c1O 5043644 JKSIRUDZUKZIEE-ZDUSSCGKSA-N 374.418 3.005 10 50 FGCA CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(OC)cc1)O2 137215142 GTRWMWKCKQQGHI-GWMUQRIZSA-N 350.378 3.060 10 50 FGCA CCOC(=O)c1cc(C(=O)Nc2ccccc2/[N+](O)=N\C(C)(C)C)nn1C 225428949 PJOZJFPGGDOZCK-UHFFFAOYSA-O 374.421 3.133 10 50 FGCA CCOC(=O)COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 842819 WBBTXFBFRMNPNE-UHFFFAOYSA-N 369.329 3.310 10 50 FGCA CCc1ccccc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 55069666 YLMVYEAVLNKTPL-UHFFFAOYSA-N 353.466 3.018 10 50 FGCA Cc1cccc(N/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1 2892887 UVWIVJHTJSVASJ-WJDWOHSUSA-N 351.431 3.047 10 50 FGCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O 4982645 WBSPIDVAXUVDQY-GDNBJRDFSA-N 352.350 3.327 10 50 FGCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 334163159 MWBBTRMWICDTBR-JYRVWZFOSA-N 357.753 3.018 10 50 FGCA c1cc2c(cc1N1CCC(NCc3noc([C@H]4CCCO4)n3)CC1)CCC2 1506397192 QVLPHCJROLGLJW-LJQANCHMSA-N 368.481 3.168 10 50 FGCA COc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)c(OC)c1 843824 SRPWIISSHHBMAU-QPEQYQDCSA-N 352.342 3.414 10 50 FGCA CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1=NN(c2ccccc2)C(=O)C1 1173550 AJNJIAQYKBMFCM-UHFFFAOYSA-N 371.824 3.364 10 50 FGCA Cc1nc(C(F)(F)F)ccc1-c1n[nH]c2c1CN(c1nccnc1C)CC2 23231988 MTGSAYCBMWOTDB-UHFFFAOYSA-N 374.370 3.460 10 50 FGCA O=C(O)C[C@@H](NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)O 71767401 KQRNGKSRSYXPKA-YYZBOFOMSA-N 356.338 3.151 10 50 FGCA CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1 693136 LYMPCSNUCUPYOZ-GZTJUZNOSA-N 366.442 3.347 10 50 FGCA Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)C(O)=NC1=S 1241952 GRUXDERGQQZZGO-MDWZMJQESA-N 366.398 3.395 10 50 FGCA CCN(CC)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 1184609 GGDINTSNJLMZOH-SDNWHVSQSA-N 364.492 3.209 10 50 FGCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O 13838366 RLECPDIMUABTJV-ZSOIEALJSA-N 363.200 3.463 10 50 FGCA O=C1NC(=O)C(=Cc2ccccc2OCc2cccc3ccccc23)C(=O)N1 1216992 XTWYFELNWVBEPA-UHFFFAOYSA-N 372.380 3.168 10 50 FGCA CCOc1ccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cc1CO 20255895 QXLGDIDSBCPNHV-FQEVSTJZSA-N 372.484 3.471 10 50 FGCA CC(C)=CCN1CCN(Cc2c(O)ccc3ccccc23)C[C@@H]1CCO 20782726 WKPJCYIJHJJMBN-IBGZPJMESA-N 354.494 3.380 10 50 FGCA CN1CCN(Cc2c(O)ccc3cc(-c4ccc(F)cc4)c(=O)oc23)CC1 20419545 XAMXIYROZKUSPZ-UHFFFAOYSA-N 368.408 3.052 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 2846269 PGRUGVPJDYGBSU-UHFFFAOYSA-N 365.227 3.013 10 50 FGCA CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1O 6697720 QJDAYWZOTJJKCE-INIZCTEOSA-N 354.406 3.497 10 50 FGCA CC(C)CCN1CCN(Cc2c(O)ccc3ccccc23)C[C@H]1CCO 104408534 YRGUBSJWATYTKY-LJQANCHMSA-N 356.510 3.460 10 50 FGCA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 239433614 YDUQVCCWGCFDAO-NJAPINKUSA-N 357.454 3.112 10 50 FGCA CN(C1=NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1)c1ccc(O)cc1 947281 QJYRHOZYRCQSQZ-GDNBJRDFSA-N 355.375 3.407 10 50 FGCA c1ccc(COCCNC2CCN(c3ccc4c(c3)OCO4)CC2)cc1 1506410635 WBRMHVADGXUJTE-UHFFFAOYSA-N 354.450 3.191 10 50 FGCA O=C1Nc2ccc(Br)cc2[C@]12NN=C(c1ccccc1)S2 854645 RRBYYBWDUNSVAW-OAHLLOKOSA-N 360.236 3.252 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3cccc(Cl)c3)CC2)cc1 55562004 PSRZAYMAWFKNLF-UHFFFAOYSA-N 359.857 3.109 10 50 FGCA CCC(=O)N1N=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1O 170615686 JBYRLEUGZLCTCS-SFHVURJKSA-N 354.406 3.497 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1C 5090967 ISTSIPNBRAQSCX-GZTJUZNOSA-N 364.401 3.287 10 50 FGCA COc1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)cc(C)c2)c1 12651373 IPVSBIZZKHKXFM-UHFFFAOYSA-N 370.449 3.166 10 50 FGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1cccs1 100400070 GRZNHWZSMKTLEM-WJDWOHSUSA-N 356.407 3.443 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1 16671302 KIFGAJJRGLOPKT-GDNBJRDFSA-N 370.455 3.247 10 50 FGCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc21 4276423 KPVHQAJENXNUQC-UHFFFAOYSA-N 363.394 3.263 10 50 FGCA CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 13799951 RKFSFEURVGGXFL-YBEGLDIGSA-N 358.394 3.314 10 50 FGCA COCCn1ncc2c1[C@@H](NCc1c(O)ccc(Cl)c1F)CCC2 364577236 JBMVKUQAZZFBCE-AWEZNQCLSA-N 353.825 3.195 10 50 FGCA O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1 13551961 YZNUDNVZFQPLND-UHFFFAOYSA-N 351.145 3.003 10 50 FGCA COc1ccc(O)c([C@@H](C)NCc2cc(Br)cnc2OC)c1 851900719 XKUPJUDRZXOOBA-SNVBAGLBSA-N 367.243 3.418 10 50 FGCA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc[nH]1 220957641 DKNFHLPPQRXNHS-VQHVLOKHSA-N 366.229 3.153 10 50 FGCA COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1O 1175097 QHYFUMFIPHYKSC-ATVHPVEESA-N 365.385 3.278 10 50 FGCA O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CC2CC1(C(F)F)C2 1875271208 BDVYTTGLHJSCQJ-UHFFFAOYSA-N 358.193 3.117 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 55562700 GVTJEMOVGZHJGM-UHFFFAOYSA-N 353.466 3.073 10 50 FGCA Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 72119242 YFVBETRONIOHRT-QGZVFWFLSA-N 354.450 3.088 10 50 FGCA COc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 26771423 RLXXJLGITYTWFS-RPHSKFLZSA-N 351.449 3.006 10 50 FGCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cl)C2=O)cc1 1228777 ZIGHQZNYRYFBLE-GXDHUFHOSA-N 356.765 3.015 10 50 FGCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)C(=O)C2=O 2666497 OZFUJBFGNYLQPM-SJORKVTESA-N 364.239 3.352 10 50 FGCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 25691733 ZVZOLSJCJMBOOZ-DHDCSXOGSA-N 352.306 3.309 10 50 FGCA COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O 13838360 KKPKOBUNWLBBQM-AUWJEWJLSA-N 372.808 3.132 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)cc1 6044915 PTKRBHMFXBWPDE-KRWDZBQOSA-N 354.450 3.120 10 50 FGCA O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1O 4809271 BLWRODRJLRHTHQ-UHFFFAOYSA-N 362.190 3.198 10 50 FGCA CN(C)c1ccc(/C=C/C=C/c2cc[n+](CCCS(=O)(=O)O)cc2)cc1 2967806 QEENOGDGAIEBEG-UHFFFAOYSA-O 373.498 3.045 10 50 FGCA NC(=O)CCn1cc(CNCc2ccc3c(c2)CCCO3)c2ccccc21 55199936 WZNYWUAMBQJTOZ-UHFFFAOYSA-N 363.461 3.132 10 50 FGCA O=C(O)CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 169677722 PPEKDYIIMWJSGI-GQIGUUNPSA-N 366.392 3.467 10 50 FGCA C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 72115385 CCUVXFSFEFLONV-SJORKVTESA-N 354.450 3.168 10 50 FGCA COc1ccc([C@@H]2CN(Cc3ccccc3O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95383069 DHSDIDAHRMMHCY-MDNUFGMLSA-N 364.489 3.463 10 50 FGCA COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 13468718 RCMRMZPTBHCHIQ-BOPFTXTBSA-N 350.418 3.363 10 50 FGCA Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=S)N(C2CCCCC2)C1=O 1128133 NPGAREKORLBEDS-WJDWOHSUSA-N 367.474 3.436 10 50 FGCA COc1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)cc1O 205804998 FCTZLXALBDOXBC-UKTHLTGXSA-N 355.506 3.355 10 50 FGCA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)o3)C2=O)c1 1213722 YQWUNMSEPWQPSR-XNTDXEJSSA-N 353.378 3.469 10 50 FGCA COc1ccc(N2CCN(C(=S)c3ccc([N+](=O)[O-])cc3)CC2)cc1 2886424 ZUJLQVALTHDYGS-UHFFFAOYSA-N 357.435 3.101 10 50 FGCA COc1ccc(OC)c(C2=C/C(=C/c3cccc(OC)c3O)C(=O)O2)c1 1197992 LHLZWJUELHMZHV-LCYFTJDESA-N 354.358 3.399 10 50 FGCA COc1ccc(N2CCN(C(=S)c3cc(OC)ccc3OC)CC2)cc1 1078573 XTFLJCNUQRKVBJ-UHFFFAOYSA-N 372.490 3.210 10 50 FGCA O=C(O)CCN1C(=O)/C(=C\c2ccccc2Br)SC1=S 2825106 MVVSVZWWNZFDSS-JXMROGBWSA-N 372.265 3.125 10 50 FGCA COc1ccc(N2CC3(CN(Cc4ccc(-n5ccnc5)cc4)C3)C2)cc1 2100473667 SXPRPOLUQPWUIA-UHFFFAOYSA-N 360.461 3.203 10 50 FGCA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2cc(Cl)cc(Cl)c2O)C1 107529539 GULDAKNAQGKXCJ-RYUDHWBXSA-N 365.260 3.480 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 1214933 FDQXSPUBWXTSTJ-XNTDXEJSSA-N 370.792 3.323 10 50 FGCA CSc1cc(N)ccc1/N=N/c1cccc(S(=O)(=O)CCO)c1 196884998 CNOIEKXPKOBBOZ-ISLYRVAYSA-N 351.453 3.172 10 50 FGCA Cc1noc(C)c1CCCNC1CCN(c2ccc3c(c2)OCO3)CC1 1506415173 ACHGFYJNCMOLNG-UHFFFAOYSA-N 357.454 3.211 10 50 FGCA CCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21 1462007 DTDNKSASNDLSDJ-NXVVXOECSA-N 355.463 3.270 10 50 FGCA COC(=O)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)cc1 716395 QLLYWUHDCGFFON-RVDMUPIBSA-N 366.398 3.145 10 50 FGCA CSc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 65363328 KXUVDPOHSGZXHF-UHFFFAOYSA-N 355.507 3.090 10 50 FGCA CCn1c2c(c3cc(C(=O)N4CC[C@@H](CN(C)C)C4)ccc31)CCCC2=O 670441961 CHIUCTWDJRIJFC-HNNXBMFYSA-N 367.493 3.204 10 50 FGCA Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCCO2)C3 940192 CDKHFCVEEPPYAT-UHFFFAOYSA-N 351.358 3.229 10 50 FGCA biogenic Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccccc1O 328595097 KVMAFBAOXIBLHM-UHFFFAOYSA-N 360.479 3.487 10 50 FGCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\Nc1ccc(Cl)cc1 16662453 VXDGUNMXLWWKOI-XFXZXTDPSA-N 359.744 3.058 10 50 FGCA CCC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cc(OC)cc(OC)c1 225494345 YKYAJAZZAGEWJT-GOSISDBHSA-N 354.406 3.497 10 50 FGCA CN(C)c1ccc(CNC(=O)/C=C/c2cnc3ccccc3n2)cc1F 170600493 FZGJCXXUALXQNO-CSKARUKUSA-N 350.397 3.165 10 50 FGCA COc1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1[N+](=O)[O-] 1124648 BRECDBASNUGTDV-UHFFFAOYSA-N 373.317 3.083 10 50 FGCA C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1 54284334 YSJIOZSWNYEZMN-OAHLLOKOSA-N 374.868 3.260 10 50 FGCA c1ccc([C@@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)CCO2)cc1 952983361 PNDUMWKEYUJCOA-QFIPXVFZSA-N 366.461 3.458 10 50 FGCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 19720530 FSUULLGJESJFBJ-QQDISNATSA-N 369.764 3.266 10 50 FGCA CC(=O)c1cc(C)n(-c2ccc(C(=O)NCc3cn(C)nc3C)cc2)c1C 216998685 AMMYDFLPTYRGMU-UHFFFAOYSA-N 364.449 3.269 10 50 FGCA O=C(Nc1ccc2c(c1)CN(Cc1ccccc1O)CC2)[C@H]1CCCO1 11997756 LHDHGCCHDMXYQZ-HXUWFJFHSA-N 352.434 3.068 10 50 FGCA COc1cc(O)c(CN2CCOCC2)c2oc(-c3ccccc3)cc(=O)c12 13629868 PNYBSIJEWRIALJ-UHFFFAOYSA-N 367.401 3.006 10 50 FGCA biogenic OC[C@H](CNC1CCN(c2ccc3c(c2)CCC3)CC1)Cc1ccco1 1506400679 FROYBZYVAOXXIL-KRWDZBQOSA-N 354.494 3.178 10 50 FGCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1O 15836563 FLTUKBDHCRMNMV-XFXZXTDPSA-N 370.336 3.437 10 50 FGCA Cc1nn(C)c2c1[C@H](NC1CCN(c3ccc4c(c3)OCO4)CC1)CCC2 1857686986 LYTPUJJVUOPSBJ-QGZVFWFLSA-N 368.481 3.093 10 50 FGCA Oc1cccc([C@@H](O)CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1 1506422902 SPHREMJBZYCGMN-QFIPXVFZSA-N 352.478 3.173 10 50 FGCA CCOc1ccc(CN[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1CO 952976875 PEFVYXVYFARKEX-VVAUGKOFSA-N 359.510 3.387 10 50 FGCA COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCc1cccnc1 170599545 CKXHKOCWIJSTPF-UHFFFAOYSA-N 363.417 3.433 10 50 FGCA COc1ccc(C2=NN[C@H](c3cc(Cl)cc4c3OCOC4)C2)c(O)c1 13124859 ZJVQYXNXKQVDCA-INIZCTEOSA-N 360.797 3.359 10 50 FGCA biogenic COc1ccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 4269970 LVVCDWXYTZKKQZ-UHFFFAOYSA-N 372.450 3.122 10 50 FGCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1Cc1cccnc1 1143965 VQTWWMFMBRSPNX-CHHVJCJISA-N 356.428 3.212 10 50 FGCA O=C(O)CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 4502754 TZBZXYUTOGVCIX-CQSZACIVSA-N 358.419 3.386 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1C 13551413 LUAPMMLSCLAOBR-LICLKQGHSA-N 359.385 3.451 10 50 FGCA C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 65362188 DELJYFPVVAHZBZ-QGZVFWFLSA-N 369.534 3.235 10 50 FGCA Cc1ccc(OCCOc2cccc(/C=C3/C(=O)NC(=O)N=C3O)c2)cc1 2997374 QCQXOITVFPKAFQ-UHFFFAOYSA-N 366.373 3.043 10 50 FGCA Cc1c(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)ccc([N+](=O)[O-])c1C 832956 BLGILWNTJPFFEE-UHFFFAOYSA-N 371.374 3.226 10 50 FGCA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(N(C)C)cc1 1113077 IRZCIGMOYMHWKF-LJQANCHMSA-N 368.506 3.417 10 50 FGCA aggregator COc1cccc(-n2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)c1 4427542 WNYMHMNFIZAPEM-UHFFFAOYSA-N 370.364 3.103 10 50 FGCA CC(C)Oc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 72436788 CFXPUSWXQYYVCI-UHFFFAOYSA-N 367.493 3.156 10 50 FGCA CC(C)c1nc(C=Cc2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)O 1857530739 HWJNLIHYWROTCP-UHFFFAOYSA-N 371.412 3.444 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)cc1 6044916 PTKRBHMFXBWPDE-QGZVFWFLSA-N 354.450 3.120 10 50 FGCA CN1CCCc2cc(CN3CCc4nnc(-c5ccccc5)n4CC3)ccc21 20117947 XGXLNJNZYHEDHN-UHFFFAOYSA-N 373.504 3.386 10 50 FGCA CN1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)CC1 49740651 CUNZUXLYRPNPHZ-UHFFFAOYSA-N 358.873 3.414 10 50 FGCA Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc([N+](=O)[O-])s2)C1=O 1192565 BLJDWDQURUQETG-DHZHZOJOSA-N 357.347 3.471 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C)on3)C2=O)cc1 15799646 BVNWTRLKCJKLAJ-JYRVWZFOSA-N 373.459 3.131 10 50 FGCA COc1ccc(N2CC3(CN(Cc4nnc(-c5ccccc5)o4)C3)C2)cc1 2100477640 DUMLYWTULYEJEB-UHFFFAOYSA-N 362.433 3.067 10 50 FGCA O=C1Nc2ccc(Br)cc2[C@@]12NN=C(c1ccccc1)S2 854646 RRBYYBWDUNSVAW-HNNXBMFYSA-N 360.236 3.252 10 50 FGCA Oc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1ccc(-n2ccnc2)cc1 72433755 OTYXHESDYNMRDP-JOCHJYFZSA-N 371.444 3.449 10 50 FGCA C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N2CCOCC2)cc1 72115382 CCUVXFSFEFLONV-DLBZAZTESA-N 354.450 3.168 10 50 FGCA CN(C)c1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 100745744 SPUNTSGGOSQNQA-QGZVFWFLSA-N 352.829 3.449 10 50 FGCA Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cc(F)ccc1F 1110158 DDGFEMRWANOCEE-UHFFFAOYSA-N 363.393 3.048 10 50 FGCA CN(C)c1ccc(CN2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)cc1 248616560 LYKVYTSXMGUOOH-UHOSZYNNSA-N 359.514 3.488 10 50 FGCA Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2cccnc12 810550 WWOSUMKIIWMTPX-UHFFFAOYSA-N 356.432 3.349 10 50 FGCA COc1ccc(N2CCN(C(=O)c3c(C)n[nH]c3C3CC3)CC2(C)C)cc1 77539153 OJJNTKGCLDBJKV-UHFFFAOYSA-N 368.481 3.345 10 50 FGCA OCCN(Cc1ccc(F)cc1)C1CCN(c2ccc3c(c2)OCO3)CC1 952865883 YYFLWERYJZZAGM-UHFFFAOYSA-N 372.440 3.018 10 50 FGCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCCn1ccnc1 6160126 JZAMGKFKYPYCMR-LGMDPLHJSA-N 355.417 3.089 10 50 FGCA Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2Cc3ccncc3C2)c1 1875380278 KLSMIHCHZNIFNC-FQEVSTJZSA-N 359.429 3.199 10 50 FGCA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccco1 1172731 IWNJNJFSSVPQAS-VQHVLOKHSA-N 367.213 3.418 10 50 FGCA COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 13583838 JPSMNJHLFQDYGH-ZROIWOOFSA-N 359.428 3.468 10 50 FGCA CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c(OC)c1 13802040 PRGBGBDPSXQCCH-YBEGLDIGSA-N 373.449 3.423 10 50 FGCA CN(C)CCCN(CCCN(C)C)Cc1cc(Cl)cc(Cl)c1O 4988155 VFSCRAXGHBRLMI-UHFFFAOYSA-N 362.345 3.404 10 50 FGCA O=C(O)CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 4502753 TZBZXYUTOGVCIX-AWEZNQCLSA-N 358.419 3.386 10 50 FGCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(O)cc2)C1=O 1228430 DYIMXSLNVNKKDT-YPKPFQOOSA-N 354.412 3.120 10 50 FGCA CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)C(F)(F)F)cc2)CC1 1857780561 RMLPAPSIHXMIIB-CQSZACIVSA-N 360.376 3.339 10 50 FGCA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1CCCCC1 1186997 KDFIPZUHAIWZAK-PTNGSMBKSA-N 360.504 3.337 10 50 FGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccccc1 100095484 OEXKHOIRPXDYRX-RGEXLXHISA-N 364.405 3.424 10 50 FGCA c1ccc([C@@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)CCN2)cc1 1506412441 DJIKBUGBBOIDJH-FQEVSTJZSA-N 365.477 3.031 10 50 FGCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc21 4719232 HHBQPNSENVRBHV-UHFFFAOYSA-N 369.442 3.073 10 50 FGCA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1297832 HCVVRYGKZYZYAO-GOSISDBHSA-N 366.490 3.184 10 50 FGCA CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 72441872 BSCSGUXMZIOSFW-UHFFFAOYSA-N 367.493 3.076 10 50 FGCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 753612 WLKUEGGDRLTNDI-GXDHUFHOSA-N 372.833 3.180 10 50 FGCA CC(C)Cn1cncc1CNC1CCN(c2ccc3c(c2)OCO3)CC1 67560969 VUEWTJAPOGGNLH-UHFFFAOYSA-N 356.470 3.026 10 50 FGCA Cc1cc(I)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 148559184 JMRRIKROUNXRLA-VYUIOLGVSA-N 355.175 3.138 10 50 FGCA OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1Cc1ccccc1 23153491 DQKZFFAHBFWPML-LJQANCHMSA-N 360.885 3.114 10 50 FGCA Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(OCC(F)(F)F)n1 170635202 CWHADBCHLGBBMJ-UHFFFAOYSA-N 367.371 3.327 10 50 FGCA O=C(O)c1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 1208561 GYWMTGQVPWQEKM-ZSOIEALJSA-N 357.412 3.496 10 50 FGCA COc1ccc(N2CCOCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 6716002 WEYZLVNNFJICEF-UHFFFAOYSA-N 360.841 3.366 10 50 FGCA Cc1ccn2cc(CNC3CCN(c4ccc5c(c4)OCO5)CC3)nc2c1 825240902 WKOGNBGYZJROFD-UHFFFAOYSA-N 364.449 3.130 10 50 FGCA CC(=O)N(C)c1ccc(Br)c2c1C(=O)c1ccccc1C2=O 3995835 CHXMYKHJNWOGGP-UHFFFAOYSA-N 358.191 3.207 10 50 FGCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 4020102 VXDURNOBSGHJPY-UHFFFAOYSA-N 369.442 3.027 10 50 FGCA OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1C1CCCCC1 20994692 JYWQRGRLPJNWIX-GOSISDBHSA-N 352.906 3.247 10 50 FGCA Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 72115841 GOCLWBPWKMLUJP-QGZVFWFLSA-N 354.450 3.088 10 50 FGCA Cc1ccc(SCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113288 KNEGHARUDSALIJ-UHFFFAOYSA-N 356.491 3.240 10 50 FGCA Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 32666591 PUWAAJSNYBXHPF-NXHHHXCLSA-N 366.402 3.286 10 50 FGCA Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)c1 1175702 QNNYCICXXFUTTR-MDWZMJQESA-N 370.792 3.329 10 50 FGCA CC(C)CNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2677588 FLKXKRRYLPJHFK-ZHZULCJRSA-N 365.477 3.296 10 50 FGCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2916188 FNVRYKWVDAESJJ-XNTDXEJSSA-N 372.833 3.180 10 50 FGCA O=C(CCSc1ccccc1)NCc1ccc(N2CCOCC2)cc1 10113296 KLXCADHLHWCNAW-UHFFFAOYSA-N 356.491 3.322 10 50 FGCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(F)cc1 1160799 QZDXLXZBVKJAHM-YVLHZVERSA-N 352.365 3.094 10 50 FGCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3C)C2=O)cc1 5024268 DCIRTPUHFBSFAI-ATVHPVEESA-N 350.374 3.060 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cccc(OC(C)C)c3)CC2)cc1 6710046 QTVLJWFBUVEXAP-UHFFFAOYSA-N 354.450 3.445 10 50 FGCA CCC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cc(OC)cc(OC)c1 225494376 YKYAJAZZAGEWJT-SFHVURJKSA-N 354.406 3.497 10 50 FGCA O=C(O)CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 1916878 XTSOELVQZHNYGU-JLHYYAGUSA-N 351.449 3.238 10 50 FGCA CNC(=O)[C@H]1CC[C@H](CNC2CCN(c3ccc4c(c3)CCC4)CC2)CC1 670457635 NZOFMEMVKFCWSA-UAPYVXQJSA-N 369.553 3.286 10 50 FGCA CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1 1216237 ZJLOQIHJAFLIGS-UHFFFAOYSA-N 356.378 3.327 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)NC3CCCC3)C2=O)cc1 15799604 KHYOABLSRRKSAR-GDNBJRDFSA-N 360.504 3.255 10 50 FGCA CN1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 4833290 NIXIJRCQBKBTGU-NTEUORMPSA-N 359.432 3.276 10 50 FGCA CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)C=Cc2cc(C)ccc21 100292305 LRKBNWDPQXITFA-FYWRMAATSA-N 360.460 3.005 10 50 FGCA CCN1C(=O)/C(=C\c2ccc(Br)cc2)C(C(=O)OC)=C1C 1199210 SDCYUFOCEJZOCT-LCYFTJDESA-N 350.212 3.142 10 50 FGCA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Cl)c2)C1=O 5112974 UOUIMVWZKPHIKY-UKTHLTGXSA-N 370.792 3.274 10 50 FGCA CCOC(=O)C(=CNc1ccccc1C(=O)c1ccccc1)C(=O)OCC 4541707 KEVBILKHDKJYJS-UHFFFAOYSA-N 367.401 3.340 10 50 FGCA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 725675 KAWWQNSQXAXNEL-IBGZPJMESA-N 364.449 3.328 10 50 FGCA COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc1 13323224 ZDEMIMBXKQXLSN-SFHVURJKSA-N 367.493 3.003 10 50 FGCA CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(F)cn1 183552995 QTGCZOVUVIPMKH-UHFFFAOYSA-N 353.191 3.351 10 50 FGCA CN(C[C@@H]1Cc2ccccc2O1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506415769 CMDRYZYKAQGJFA-IBGZPJMESA-N 366.461 3.320 10 50 FGCA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)c1 1215328 MLFXQJNBFNQIMI-MDWZMJQESA-N 355.306 3.311 10 50 FGCA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2O)NC(=S)N1 753534 AVMYBIIQGMRZGV-KRWDZBQOSA-N 353.447 3.132 10 50 FGCA CCOC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 36007029 WOHBAKBGVKUKMH-FQEVSTJZSA-N 354.450 3.122 10 50 FGCA CCC(=O)N1N=C(c2cc(OC)ccc2OC)C[C@H]1c1ccccc1O 253433644 ZPQXKTANDORBJL-KRWDZBQOSA-N 354.406 3.497 10 50 FGCA COc1ccc2c(c1)CCN2Cc1c(C)nn(C)c1OCC(F)(F)F 127687913 DKXKDHGHDCXNAI-UHFFFAOYSA-N 355.360 3.241 10 50 FGCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2 5094214 BIBNNZADNBILJB-UHFFFAOYSA-N 371.348 3.443 10 50 FGCA CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 12512951 YUJGJQATOVTUQL-JXAWBTAJSA-N 363.417 3.102 10 50 FGCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 101846363 TZCNHRPXIUGBPZ-VKJFTORMSA-N 371.418 3.069 10 50 FGCA CCOc1ccc(CNC[C@H](C)Oc2cccnc2)cc1COC(C)=O 55402558 MFAILNYKKIDWRI-HNNXBMFYSA-N 358.438 3.101 10 50 FGCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 15012444 UCNCSJNMHPQLIN-ATVHPVEESA-N 350.374 3.060 10 50 FGCA COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 4614049 OFURJNOVUGHIST-SXGWCWSVSA-N 366.373 3.208 10 50 FGCA O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccc2c(c1)OCO2 1146424 RBZLSUWKEYFWNO-NVNXTCNLSA-N 356.428 3.212 10 50 FGCA CC(=O)N(C)c1ccc(N2CCCCC2)c2c1C(=O)c1ccccc1C2=O 4981626 GPKWIERQSLLQEH-UHFFFAOYSA-N 362.429 3.435 10 50 FGCA O=C(CCc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1 54284675 CFOLJOHKXTXKID-UHFFFAOYSA-N 358.869 3.426 10 50 FGCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1 1225771 RFCHMOZFWRTZOP-XNTDXEJSSA-N 356.765 3.015 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)cc1 6044728 HFIBBCJXBRXUHR-QGZVFWFLSA-N 354.450 3.120 10 50 FGCA COc1ccc(N2CCN(C(=O)CCCn3ccnc3C)CC2(C)C)cc1 95384309 FKWOFVHCWPHMIH-UHFFFAOYSA-N 370.497 3.108 10 50 FGCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 14011088 LYEYBSVNDFVEIX-GDNBJRDFSA-N 356.765 3.015 10 50 FGCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 217683300 JXLVSBCVKUJJGM-SIFCLUCFSA-N 363.417 3.113 10 50 FGCA COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(O)cc1 897879 PADMQNLLNFMFDQ-WQRHYEAKSA-N 365.385 3.278 10 50 FGCA Oc1ccccc1C(=S)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 5060472 ZABDBVAQPMPGBL-MRXNPFEDSA-N 366.364 3.429 10 50 FGCA Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c1C 1175994 ZONXASPQOTUSMW-NTEUORMPSA-N 371.824 3.148 10 50 FGCA CCc1nnc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)s1 17017034 WPRDUQYLHYGFCN-UHFFFAOYSA-N 365.414 3.418 10 50 FGCA CCCOc1ccc(CNCc2ccccc2-n2ccnc2)cc1CO 952975440 YKJBAVDZRFDHQY-UHFFFAOYSA-N 351.450 3.443 10 50 FGCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1O 15018410 BGGOTMVGOYPFNW-UITAMQMPSA-N 360.254 3.042 10 50 FGCA O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 1181950 GNQYJQHFXMPDHB-YRNVUSSQSA-N 361.697 3.348 10 50 FGCA O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1cccc2ccsc12 2325855701 LJXJTCCPJYUOPD-UHFFFAOYSA-N 369.465 3.380 10 50 FGCA CCOc1ccc(CN2CCN(c3ccc(OC)cc3)C[C@@H]2C)cc1CO 72147092 PFOPRRVORIZMSL-KRWDZBQOSA-N 370.493 3.297 10 50 FGCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 1206958 VYYAFQIMXQHFML-LDADJPATSA-N 363.417 3.036 10 50 FGCA COc1ccc([C@@H](NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1 1209797 NSAPFXNJGCEDMF-LJQANCHMSA-N 352.390 3.183 10 50 FGCA c1cc2c(cc1N1CCC(NCc3cn4c(n3)SCC4)CC1)CCC2 952960588 YJMBHTMOQVMJNM-UHFFFAOYSA-N 354.523 3.236 10 50 FGCA CCOc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 16156529 CTSDIUSBFIYCKR-OQLLNIDSSA-N 372.808 3.209 10 50 FGCA O=C(CSCc1ccccc1)NCc1ccc(N2CCOCC2)cc1 10113291 AGNPNAFOOLUDAW-UHFFFAOYSA-N 356.491 3.073 10 50 FGCA COc1ccccc1OCC(=O)NCc1ccc(N2CCCCC2)cc1 10113072 KHJFGVSQTGWRDT-UHFFFAOYSA-N 354.450 3.381 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2(C)C)cc1 77342081 ZSLUTWQJOVAUQD-INIZCTEOSA-N 360.498 3.328 10 50 FGCA COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 13687419 IGWJZYUPNVFYDP-PTNGSMBKSA-N 370.455 3.241 10 50 FGCA COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1 1050101 RZKVSQRQJQUEKE-UHFFFAOYSA-N 359.403 3.363 10 50 FGCA aggregator O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc2ccccc12 1173402 VZLRRACTUSPWHM-LDADJPATSA-N 358.353 3.212 10 50 FGCA CCCCOc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 16213131 OQEFHNSAVCOUCB-LCYFTJDESA-N 351.449 3.151 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C)c(C)c3)CC2)cc1 1100536 RGUDGJLRXMIZMZ-SFHVURJKSA-N 368.477 3.428 10 50 FGCA CCCCC1(C)OC(=O)C(=Cc2cc(OC)c(OC)cc2OC)C(=O)O1 2812065 LTUUWYXYUUJDQN-UHFFFAOYSA-N 364.394 3.102 10 50 FGCA Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 13785532 JTFMOFYTKMMNLI-APSNUPSMSA-N 356.403 3.489 10 50 FGCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 15659709 OKOSFSLFSWXDGJ-YBEGLDIGSA-N 351.318 3.099 10 50 FGCA COc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)cc1 55060286 DTSMBUMKTFIMKN-UHFFFAOYSA-N 353.466 3.073 10 50 FGCA Cc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 2892804 IVQHGCGFYRJJML-RAXLEYEMSA-N 355.781 3.227 10 50 FGCA OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1Cc1ccsc1 20451927 KWGFZTLZRRXPQM-KRWDZBQOSA-N 366.914 3.176 10 50 FGCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1 974825 LNBTWIVKVWQVDV-UHFFFAOYSA-N 361.151 3.299 10 50 FGCA biogenic Nc1ccc(CC(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)cc1 670457999 BJOBXJVVKNPYSO-NRFANRHFSA-N 351.494 3.372 10 50 FGCA CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N=C3O)c2C)cc1 1210689 RVYVQIMMNHCJJO-UHFFFAOYSA-N 353.447 3.411 10 50 FGCA CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O 3894215 BCOXFXYXYHLXCE-QGZVFWFLSA-N 351.362 3.464 10 50 FGCA O=C1CC[C@@]2(CCCN(Cc3ccccc3O)C2)CN1Cc1ccncc1 72474842 REWBIKNMJDQBAX-JOCHJYFZSA-N 365.477 3.192 10 50 FGCA COc1ccc(N2CCN(Cc3ccc4nsnc4c3)[C@@H](C)C2)cc1 72157181 CSVGMTNRXHIILJ-AWEZNQCLSA-N 354.479 3.411 10 50 FGCA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCN(C)[C@H](C)C3)cc2)c1C 216978422 JLTXBNWRBXPWOZ-OAHLLOKOSA-N 353.466 3.073 10 50 FGCA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 1203580 PXSQCXNJQKFYLA-IBGZPJMESA-N 365.433 3.081 10 50 FGCA O=[N+]([O-])c1cccc([C@@H](O)CNCC2(c3ccc(O)c(O)c3)CCCC2)c1 3039206 VSNTWVOQKIYAGA-IBGZPJMESA-N 372.421 3.141 10 50 FGCA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 823488 PICRLYPXRVRMMZ-GOSISDBHSA-N 357.454 3.256 10 50 FGCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C1CCCCC1 1184050 WXGPATLNQUUVPE-UHFFFAOYSA-N 359.495 3.209 10 50 FGCA COc1cccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)c1O 23360926 XDDGCTMWRQZZFA-FQEVSTJZSA-N 352.478 3.424 10 50 FGCA O=C(O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O 4148290 KKFDHCOVPAIGKL-UHFFFAOYSA-N 362.190 3.198 10 50 FGCA CSc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 1163926 AQMXIIVKYIXQPK-LFIBNONCSA-N 352.415 3.071 10 50 FGCA CN1C(=O)C(=CNc2ccccc2Sc2ccccc2)C(=O)N(C)C1=O 5648706 IGPDZNPLPHCDBV-UHFFFAOYSA-N 367.430 3.184 10 50 FGCA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 15857048 VFWMMOLGXBLXRD-YBEGLDIGSA-N 369.808 3.072 10 50 FGCA Cc1c(CC(=O)NCc2c(O)ccc3c2CCCC3)cccc1[N+](=O)[O-] 133607882 PNAFLBZTNWTCPG-UHFFFAOYSA-N 354.406 3.347 10 50 FGCA CCOc1ccc(N2CCN(CCNC(=O)Nc3ccccc3)CC2)cc1 16475631 ZLZPVPWVEGFZDI-UHFFFAOYSA-N 368.481 3.029 10 50 FGCA CCOc1ccc(CN[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1CO 952976849 PEFVYXVYFARKEX-PABIAOKJSA-N 359.510 3.387 10 50 FGCA CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 1786440 LXMBGQDOVMXPCX-KWJWQAOWSA-N 351.449 3.150 10 50 FGCA COc1ccc(N2CCN(C(=O)c3cccc4nc(C)oc34)CC2)cc1 1430618 HWQCQNDXXIACJJ-UHFFFAOYSA-N 351.406 3.107 10 50 FGCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1220120 POLAXLQUQUEMGA-XXYUJHKVSA-N 364.492 3.063 10 50 FGCA COc1ccc(N2CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@@H](C)C2)cc1 72125371 AKGUTZOSYGOTPT-HNNXBMFYSA-N 352.438 3.389 10 50 FGCA CCCNC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 6243962 IONDOSBNMUPBNO-UHFFFAOYSA-N 361.486 3.326 10 50 FGCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)cc1 16605988 CUVIHNHFLZYMSU-QGZVFWFLSA-N 354.450 3.120 10 50 FGCA CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1C 14010842 MAJMHIUSDPRQGG-GZTJUZNOSA-N 365.433 3.408 10 50 FGCA O=C1NC(c2ccc(Cl)cc2)=C2C(=O)NC(c3ccc(Cl)cc3)=C12 6093360 JNNHVXMCVRYTTN-UHFFFAOYSA-N 357.196 3.375 10 50 FGCA in-vitro COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 12382989 JOOBAUSKYKIOMX-PDGQHHTCSA-N 364.401 3.485 10 50 FGCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(SC)cc3)C2=O)cc1 4456504 LKOCQTXNUZBNRL-WJDWOHSUSA-N 368.414 3.084 10 50 FGCA Cc1ccccc1-n1[nH]c2c3c(ccc2c1=O)C(=O)c1ccccc1C3=O 3896796 AGBPJXVKRSJPQW-UHFFFAOYSA-N 354.365 3.403 10 50 FGCA CCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 6715485 CDYZQKJXFYFSDX-UHFFFAOYSA-N 355.438 3.448 10 50 FGCA Cc1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)O)c(C)n1-c1ccc(F)cc1 262811999 BCKWQUUYHSKSDR-CQSZACIVSA-N 372.318 3.369 10 50 FGCA CC(C)=C(F)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 126082792 JVKALHUTGAGGNW-UHFFFAOYSA-N 360.351 3.422 10 50 FGCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(O)cc1 16511863 MUECIYDSDQFVIW-ATVHPVEESA-N 358.353 3.212 10 50 FGCA COC(=O)c1ccc(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)cc1 2916388 IWMMZOIJXPGKOH-GDNBJRDFSA-N 366.369 3.472 10 50 FGCA COc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])c1 100316598 QDYSIDDPNHOQJT-RVDMUPIBSA-N 352.350 3.322 10 50 FGCA COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccccc1O)NC3=O 719257 CEWJALJJJXKAQQ-INIZCTEOSA-N 355.419 3.311 10 50 FGCA COc1ccc(N2CC3(CN(C(=O)Cc4c(F)cccc4Cl)C3)C2)cc1 2100556835 JMEUQHKUYFOVDW-UHFFFAOYSA-N 374.843 3.379 10 50 FGCA O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc2ccccc2c1 643229 ZMQJUPBCFJSOJX-UHFFFAOYSA-N 368.458 3.477 10 50 FGCA CN(C[C@H]1Cc2ccccc2O1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506415771 CMDRYZYKAQGJFA-LJQANCHMSA-N 366.461 3.320 10 50 FGCA CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1 916106459 JRNHPYFNHYJGRF-UHFFFAOYSA-N 372.240 3.354 10 50 FGCA C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 5214844 XLUYPDFTJMZMFG-VSUWBIFXSA-N 372.265 3.123 10 50 FGCA CCCCN(CCCC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2834082 LNYRUORBLCQWDB-UHFFFAOYSA-N 359.495 3.008 10 50 FGCA COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1OC 13674791 GSKDOYHGVPWHNC-UHFFFAOYSA-N 370.449 3.243 10 50 FGCA CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2ccc(OC)cc12 2325717491 NBDHLCPWZNBHTD-UHFFFAOYSA-N 352.438 3.071 10 50 FGCA Cc1c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)n(C)c2c(C)cccc12 1704348056 BMFCODYDAUAOFD-MJGOQNOKSA-N 363.461 3.178 10 50 FGCA COc1cccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c1 1221181 FZPZZRONVRNNNZ-PFONDFGASA-N 368.439 3.423 10 50 FGCA COc1ccc(N2CCN(C(=O)c3ccc4nccn4c3)CC2(C)C)cc1 218937177 MXMVNCFYYSQKOC-UHFFFAOYSA-N 364.449 3.084 10 50 FGCA CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 13331713 LBXNGMACPOTLKF-FQEVSTJZSA-N 372.440 3.341 10 50 FGCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 19772870 FUPNPRPUQYWQEA-BOPFTXTBSA-N 359.385 3.451 10 50 FGCA CN(C)c1ccc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 184240871 LYKVYTSXMGUOOH-WDSOQIARSA-N 359.514 3.488 10 50 FGCA COc1ccc(O)c(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c1 20601845 PENRQOGHLCRUNW-HXUWFJFHSA-N 352.478 3.424 10 50 FGCA COc1ccc(O)c([C@H](C)NCc2cc(Br)cnc2OC)c1 851900718 XKUPJUDRZXOOBA-JTQLQIEISA-N 367.243 3.418 10 50 FGCA [N-]=[N+]=NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 57990093 ZITYCUDVCWLHPG-INIZCTEOSA-N 352.350 3.289 10 50 FGCA in-vitro O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccccc1 1171137 CUARFCCFGPEPAS-NBVRZTHBSA-N 373.437 3.309 10 50 FGCA Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S 752213 LMRBPIYKWBNPMI-XNTDXEJSSA-N 361.426 3.308 10 50 FGCA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 717494 MCMYOPLTMGXIEN-UHFFFAOYSA-N 357.387 3.378 10 50 FGCA Cc1cccc(N2NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 4865679 SRXUSSWEFVZNPJ-JYRVWZFOSA-N 357.753 3.018 10 50 FGCA CC[C@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 7495391 RAKXCKMUYQSLJT-IBGZPJMESA-N 372.440 3.341 10 50 FGCA Cn1cnnc1CC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 55270163 YMJPNZAYHHKBLV-UHFFFAOYSA-N 355.269 3.282 10 50 FGCA OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1Cc1ccsc1 20451925 KWGFZTLZRRXPQM-QGZVFWFLSA-N 366.914 3.176 10 50 FGCA C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCOCC2)cc1 54284333 YSJIOZSWNYEZMN-HNNXBMFYSA-N 374.868 3.260 10 50 FGCA CCOc1cc(/C=C2\SC(S)=NC2=O)c(Br)cc1O 6402474 IUSHGDCYTFUOCP-WMZJFQQLSA-N 360.254 3.454 10 50 FGCA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1C[C@@H]1CCCO1 1150610 FIWQYSOYZJBOGA-CIKBWMHTSA-N 359.472 3.386 10 50 FGCA Cc1ccc(C2=NC(=O)/C(=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)S2)cc1 5008856 UWAKIQPNVUTKNB-CCEZHUSRSA-N 365.370 3.287 10 50 FGCA CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 170597574 ITSCTYZBQZMXRA-KGLIPLIRSA-N 368.499 3.098 10 50 FGCA CN1CCN(c2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)CC1 49740652 WCXKYRROYPAGES-UHFFFAOYSA-N 358.873 3.414 10 50 FGCA c1ccc2oc(CCNC3CCN(c4ccc5c(c4)OCO5)CC3)nc2c1 1506399332 MEYSBWQSFHBRAQ-UHFFFAOYSA-N 365.433 3.358 10 50 FGCA CC(C)=CCN1CCN(Cc2c(O)ccc3ccccc23)C[C@H]1CCO 104385478 WKPJCYIJHJJMBN-LJQANCHMSA-N 354.494 3.380 10 50 FGCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 5647375 OQHJSOSZNUBMCF-SFQUDFHCSA-N 374.352 3.106 10 50 FGCA COc1ccc(O)c(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 11813034 WAFXIASSCDLPRX-OAQYLSRUSA-N 359.441 3.357 10 50 FGCA Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)NC(C)C)cc1 1793501 PLTDXFQZGBHWSO-XSFVSMFZSA-N 365.477 3.357 10 50 FGCA CN1C(=O)/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 1082403 VMVAECVIMHCMDF-PFONDFGASA-N 352.440 3.439 10 50 FGCA c1cc(Cn2ccnc2-c2ccc(N3CCOCC3)cc2)c2ccnn2c1 1772816003 DBTNNTBJBHGXGG-UHFFFAOYSA-N 359.433 3.083 10 50 FGCA COc1cccc(CN2CCC[C@@H](NCc3cc(OC)ccc3O)C2)c1 23374974 ZFMTUCWBLPRTLD-GOSISDBHSA-N 356.466 3.164 10 50 FGCA COc1ccc([C@@H](NC(C)=O)c2ccc3cccnc3c2O)cc1OC 1216657 DABPCQYLGSZBAM-GOSISDBHSA-N 352.390 3.183 10 50 FGCA CCCCCCOC(=O)c1cc(O)c(=O)c2c(O)c(O)c(OC)cc2c1 98052698 UBQFTTUFRSSOHE-UHFFFAOYSA-N 362.378 3.063 10 50 FGCA in-vitro NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 101846509 VQNQQBXEORLNLV-RVKKMQEKSA-N 371.418 3.069 10 50 FGCA COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C)c(C)c2)c1 12651387 NMLJKTUIVKXOOJ-UHFFFAOYSA-N 370.449 3.166 10 50 FGCA CN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)CC1 19771140 PIYWSHAXQRDHTG-JYRVWZFOSA-N 356.278 3.211 10 50 FGCA COc1ccc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)cc1 6714257 XVZALYDORSKZQQ-UHFFFAOYSA-N 371.437 3.067 10 50 FGCA COc1ccc(N2CCN(C(=S)Nc3ccccc3[N+](=O)[O-])CC2)cc1 17076285 PSLMEJJLAOHBAH-UHFFFAOYSA-N 372.450 3.122 10 50 FGCA Cc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 13785862 NJCACNTUHVDPRM-WJDWOHSUSA-N 368.483 3.470 10 50 FGCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cc2ccccc2[nH]c1=O 100147415 QHWTXCGSYUIOEL-GZTJUZNOSA-N 373.368 3.032 10 50 FGCA O=C(O)CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 169677723 PPEKDYIIMWJSGI-JXXFODFXSA-N 366.392 3.467 10 50 FGCA CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)C(O)=NC1=S 1130419 NCFYDEOFZYGJSQ-GXDHUFHOSA-N 361.467 3.028 10 50 FGCA CCOc1ccccc1CN1CCN(Cc2cc(OC)ccc2O)CC1 19520184 OKYWOUGERACPKD-UHFFFAOYSA-N 356.466 3.117 10 50 FGCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 2672399 YWUOYVAXETUXMD-NTUHNPAUSA-N 363.391 3.372 10 50 FGCA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(-c2ccccc2)n1-c1ccccc1 1186087 LQDVJQWCEYWUMV-UHFFFAOYSA-N 371.396 3.202 10 50 FGCA CN(Cc1ccc2c(c1)CCN2C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328628476 HHVGARFZFSLYMA-UNMCSNQZSA-N 350.510 3.199 10 50 FGCA O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/c1c[nH]c2ccccc12 2815096 BJANUSJWWJLWJX-LFIBNONCSA-N 351.406 3.353 10 50 FGCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1 2236737 QCBRTHWLVNTUKL-JLHYYAGUSA-N 366.533 3.398 10 50 FGCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(Br)c1 1023045 RTEKNBYTRIEQPO-ZROIWOOFSA-N 361.170 3.050 10 50 FGCA CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 2049286331 URGFAYKOSFKMEU-UHFFFAOYSA-N 374.400 3.353 10 50 FGCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N=C2O)o1 15722930 WPLBGMWTORBJLF-JYRVWZFOSA-N 355.306 3.095 10 50 FGCA CCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 15836090 HOWSAFZDCQSOSJ-OWBHPGMISA-N 368.364 3.281 10 50 FGCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 2826420 OKPRCZZOBQAZOL-YBEGLDIGSA-N 368.345 3.061 10 50 FGCA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 4139095 CARROEYJMVAVET-SFHVURJKSA-N 368.412 3.158 10 50 FGCA COc1ccc(N2CCN(C(=S)Nc3ccccc3OC)CC2)cc1 786038 JLHXXJGZQJUGEB-UHFFFAOYSA-N 357.479 3.223 10 50 FGCA COc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 26771424 RLXXJLGITYTWFS-YQCJOKCJSA-N 351.449 3.006 10 50 FGCA CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=N)NC3=O)c2C)cc1 23128336 QDDOIHMICOHJAE-YBEGLDIGSA-N 369.446 3.410 10 50 FGCA COc1cccc(CN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c1O 65492568 MNQJHIQCWFDJAZ-INIZCTEOSA-N 366.421 3.225 10 50 FGCA Cc1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 2892662 FBGHVROWCAALNV-WJDWOHSUSA-N 351.431 3.047 10 50 FGCA CC(C)c1ccc(/C=C2/SC(=S)N(CN3CCOCC3)C2=O)cc1 22064905 XZCHRQIMFBEZOR-LFIBNONCSA-N 362.520 3.301 10 50 FGCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCCC[C@@H]3CO)c2)c1 12245106 WNXUJOUJEPVCOP-QGZVFWFLSA-N 357.450 3.423 10 50 FGCA CN1C(=O)[C@]2(NN=C(c3ccccc3)S2)c2cc(Br)ccc21 870180 GEXAYXAKZPOPPW-INIZCTEOSA-N 374.263 3.277 10 50 FGCA O=C1NC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1 1130233 NPYVVRZNDJJJAN-UHFFFAOYSA-N 358.806 3.241 10 50 FGCA Cc1ccc(N2NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1 1228184 NLIRNWUZRHAAJR-XNTDXEJSSA-N 357.207 3.219 10 50 FGCA COc1cccc(CN2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c1O 65492571 MNQJHIQCWFDJAZ-MRXNPFEDSA-N 366.421 3.225 10 50 FGCA O=C(Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2O)CC1)C1CC1 11844539 YCBINTNOEGBYFN-UHFFFAOYSA-N 374.872 3.428 10 50 FGCA CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N=C(O)[C@H]3ON2c2ccc(Cl)cc2)cc1 17889141 YVOKYPBRVIHUFV-BBWFWOEESA-N 371.824 3.380 10 50 FGCA Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1104340 WDJAKWMNSLPQDL-GDNBJRDFSA-N 370.455 3.247 10 50 FGCA CC(=O)Nc1ccc(-n2ccnc2-c2ccc(O)c(CN(C)C)c2)cc1 82161324 TVSOGGYYZRUHIW-UHFFFAOYSA-N 350.422 3.265 10 50 FGCA O=C(C1CC1)N1CCC[C@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506416183 UYBIUUAUPULUDY-NRFANRHFSA-N 367.537 3.135 10 50 FGCA CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)cc1OC 16184512 YHLXKFYCVNQASS-YVLHZVERSA-N 373.449 3.423 10 50 FGCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(Cl)cc2)C1=O 5648583 SIERGSGYXUOJRN-UVTDQMKNSA-N 355.781 3.227 10 50 FGCA