smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)[C@H]1CCCC[C@H]1C(=O)NC1CCCCCCCCCCC1 133423 QEEPPGIQINMYNK-MSOLQXFVSA-N 337.504 4.667 0 50 EJAA Cc1cccc(OCC(=O)Oc2ccc(OCc3ccccc3)cc2)c1 148541 JUTGRFTVLWENBK-UHFFFAOYSA-N 348.398 4.558 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccccc1F 176007 POUVGHAFBOFLIV-UHFFFAOYSA-N 348.333 4.592 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Cl 360656 GSKIPZYKEQFWJT-UHFFFAOYSA-N 326.783 4.539 0 50 EJAA S=C(Nc1ccc2nccnc2c1)Nc1cccc2ccccc12 445676 SXAZTOVFCPBMFP-UHFFFAOYSA-N 330.416 4.592 0 50 EJAA Cc1cc2oc(=O)c3c(c2cc1OCc1ccccc1F)CCCC3 615045 VCKWZTVGASHYJJ-UHFFFAOYSA-N 338.378 4.698 0 50 EJAA Cc1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 1059803 ZANGLCAUAXAXCU-UHFFFAOYSA-N 326.421 4.644 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)ccc12 2239652 PQVURSHDKSBAPB-UHFFFAOYSA-N 338.403 4.723 0 50 EJAA biogenic C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 2497260 PXQFZJJATBETDB-UZLBHIALSA-N 343.430 4.674 0 50 EJAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCOc1ccccc1 5942836 XBJIGZBXAGUNPC-NRFANRHFSA-N 334.463 4.912 0 50 EJAA Cc1cc(C)cc(-n2c(S)nnc2CSCc2ccccc2)c1 17071476 JSZDPTHOZMHWEH-UHFFFAOYSA-N 341.505 4.606 0 50 EJAA O=C(c1ccc(-c2ccoc2)nc1)N1CCC[C@H](c2ccccc2)CC1 67817833 GUUYVDKVHDEFHQ-SFHVURJKSA-N 346.430 4.752 0 50 EJAA CC(C)c1cc(Cn2ccnc2-c2ccc([C@H]3CCCCO3)o2)on1 71388801 KUZPIMADZFQIKD-MRXNPFEDSA-N 341.411 4.544 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@@H]3c3cccnc3)[nH]c12 72424232 XBXXFZZXPMHZJJ-GOSISDBHSA-N 347.462 4.856 0 50 EJAA CCO[C@H](C)c1nc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cs1 239619621 BFVQJOPRDLKUOZ-APWZRJJASA-N 344.524 5.195 0 50 EJAA CCn1cc([C@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)cn1 284217908 CNXMRGRJWMCECZ-LBPRGKRZSA-N 346.887 4.531 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1cccc(F)c1C(F)(F)F)C2 1704297561 TWJSHKDJEGJQKX-NVXWUHKLSA-N 345.380 4.626 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCCCC1 451754 VTUMROFDMGJTJI-GFCCVEGCSA-N 344.282 4.990 0 50 EJAA Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2)oc2ccccc12 454011 SYQPRQOGFGGKFZ-UHFFFAOYSA-N 344.823 4.521 0 50 EJAA Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 475593 KFYVZTQDNAVFJV-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA CCOc1cc(C=O)cc(Cl)c1OCCCOc1ccc(C)cc1 2876888 SQCODNRYNZRJBZ-UHFFFAOYSA-N 348.826 4.708 0 50 EJAA Cc1ccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)cc1C 8583071 TYVIPIDQDKTPEB-UHFFFAOYSA-N 347.466 4.735 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(O)=Nc2ccccc21 8856666 XEWDMGYTRMOBJI-UHFFFAOYSA-N 336.178 4.634 0 50 EJAA Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)C1CCCCC1 16527341 XDBFPEVWTPNWCN-UHFFFAOYSA-N 336.435 4.766 0 50 EJAA C[C@H](Nc1nccc(-c2cccnc2)n1)c1ccccc1C(F)(F)F 96139336 BKRMRGWUTPJDJI-LBPRGKRZSA-N 344.340 4.731 0 50 EJAA CC(C)(C)C[C@H](Nc1nccc(-c2cccnc2)n1)c1cccnc1 97729568 RYZBWJXWRRCNAQ-SFHVURJKSA-N 333.439 4.523 0 50 EJAA Cc1coc(-c2ccc(C)c(NC(=O)N3CCCC[C@H](C)C3)c2)n1 187541971 VOWUMNOKFWRKEE-ZDUSSCGKSA-N 327.428 4.612 0 50 EJAA COc1ccccc1-c1ccc(-c2c(C)ccc3ncccc23)nn1 426545158 WSZUHUHNAOHBBH-UHFFFAOYSA-N 327.387 4.676 0 50 EJAA CC[C@H](C)c1nccc(Nc2ccc(Oc3ccc(C)nn3)cc2)n1 1875309415 PULUXRFNKWDPHS-ZDUSSCGKSA-N 335.411 4.624 0 50 EJAA CCc1oc2c(Nc3ccc(CC(=O)N(C)C)cc3)cccc2c1C 2100543336 PZZPKTWIVHIMSU-UHFFFAOYSA-N 336.435 4.678 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 452656 MAXFNBCANQEHPB-CYBMUJFWSA-N 340.492 4.944 0 50 EJAA Cc1cc(NC(=S)Nc2ccccc2F)ccc1Br 13736938 RWZKZJLLFOCPHJ-UHFFFAOYSA-N 339.233 4.706 0 50 EJAA COc1ccccc1-c1cc2nc(C)cc(Nc3ccc(F)cc3)n2n1 15670920 ZRWJJAGTVRNQRR-UHFFFAOYSA-N 348.381 4.596 0 50 EJAA CCOc1cc(CN(C)[C@H](C)c2ccccn2)cc(Cl)c1OCC 55393387 WGLOZRXPLGZCCD-CQSZACIVSA-N 348.874 4.725 0 50 EJAA CC(C)c1cc(Cn2ccnc2-c2ccc([C@H]3CCCO3)s2)on1 71715030 HSVLYGIULYQYRM-OAHLLOKOSA-N 343.452 4.623 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]4CCC[C@]4(C)CC[C@H]3[C@]2(C)CC1=O 257345638 FASYXTMQFUGQBE-DXWVLXIHSA-N 332.484 4.530 0 50 EJAA O=C(O)c1nc(/C=C/c2cc(F)cc(F)c2)sc1-c1ccccc1 1875360998 NBGHFBJLLOFCSB-VOTSOKGWSA-N 343.354 4.957 0 50 EJAA COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(Cl)c1 310704 WUNWUPUJJOBCOS-UHFFFAOYSA-N 329.758 4.893 0 50 EJAA Cc1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1 434200 BFJXCGDQIYFKTR-UHFFFAOYSA-N 342.398 4.984 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c(C)c1 557885 RKEDUBXTYUVXGG-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1ccc(OC(F)F)c(NC(=S)Nc2cccc(F)c2)c1 611777 RWRYRFGOSOUELL-UHFFFAOYSA-N 326.343 4.544 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 1814116 IXHYGIGHTKVHLH-UHFFFAOYSA-N 344.827 4.811 0 50 EJAA Cc1ccc(CSCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 2815331 ZHQADPHGFVVELF-DHZHZOJOSA-N 345.895 4.711 0 50 EJAA Cc1csc(=S)n1OC(=O)C1=CC[C@](C)(c2ccccc2)CC1 5748681 GIRJOERDXKYXPR-SFHVURJKSA-N 345.489 4.611 0 50 EJAA O=C(Nc1ccc(Nc2ccccc2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 16393195 OVFKKZYNIJKYKJ-SJPCQFCGSA-N 348.446 4.764 0 50 EJAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H]1c1cccc(F)c1 21525425 CNEOBJLQUOWMNG-OAHLLOKOSA-N 342.395 4.520 0 50 EJAA O=C(c1ccccc1)[C@H](CN1CC2CCC(CC2)C1)c1ccccc1 71770254 YLYQJFCQOOVFGR-OBFZPWGMSA-N 333.475 4.775 0 50 EJAA CC1=C(O)[C@@H]2C=CC=C[C@@H]2[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 104252650 ZCHJZBGEFBTBLF-BESBDSHLSA-N 330.427 4.862 0 50 EJAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 222656293 CEBMZIARJQIPGJ-HXUWFJFHSA-N 341.426 4.524 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@H]2c2ccccc2)c1C 331496391 HAQZWQLSEYLAJY-KDOFPFPSSA-N 326.444 4.532 0 50 EJAA Cc1ccc(Cl)cc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C 1353813584 RZRBCSJPERSSKI-AWEZNQCLSA-N 328.843 4.524 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C(F)(F)F)c(F)c1)C2 1704344089 JWXMWROEZVYGPU-IAGOWNOFSA-N 345.380 4.626 0 50 EJAA Clc1cccc2ccc(-c3nccn3CCC[C@@H]3CCOC3)nc12 1857682123 ILJHDSWRWJUJKD-CQSZACIVSA-N 341.842 4.568 0 50 EJAA Cc1nc(-c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2)no1 1875328706 IPODTQXXFMMGNI-SNVBAGLBSA-N 330.338 4.551 0 50 EJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCc1ccccc1 131073 ZSKHNMOEFALVQE-DTQAZKPQSA-N 343.426 4.595 0 50 EJAA CCOc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 467816 RLRDBFYGWIJQOJ-UHFFFAOYSA-N 346.839 4.909 0 50 EJAA Clc1ccc(Cl)c(-c2ccc(CNCc3cccnc3)o2)c1 4842787 KNCWFXIJCFLVIN-UHFFFAOYSA-N 333.218 4.938 0 50 EJAA C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 101703425 XBIOQKJAUYGCAY-USNOLKROSA-N 333.475 4.759 0 50 EJAA Cc1nnc(-c2cccc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)o1 129534359 NBIQNOUVORDOKF-OCCSQVGLSA-N 325.334 4.578 0 50 EJAA CC[C@@H]1C[C@H](NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCO1 1473966452 XDYMYLDNOCPCQW-ZIAGYGMSSA-N 330.299 4.818 0 50 EJAA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 45157 LHASSXXCVHSJRC-OAQYLSRUSA-N 344.414 4.775 0 50 EJAA Cc1cc(C(F)(F)F)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 205074 WKKAWONCQZYQPM-UHFFFAOYSA-N 325.721 4.685 0 50 EJAA O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(Cl)cc1 357753 RCFWNYZNFLZASG-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA COc1ccc([C@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)cc1 401104 ZHCIBQAOOXEWGW-UXHICEINSA-N 336.431 4.811 0 50 EJAA O=C1C[C@H](c2ccc(Cl)cc2)CN1C(=O)Nc1ccc(Cl)cc1 435548 IOZXNQQOZUNCNP-LBPRGKRZSA-N 349.217 4.541 0 50 EJAA CCOc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1 468143 ZMAIZABGDFEPNW-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA CCc1cccc2c(C=O)cn(Cc3ccc(Br)cc3)c12 470514 MHZKINRGZNODFC-UHFFFAOYSA-N 342.236 4.827 0 50 EJAA CC(C)Oc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1775691 MNOYJBBBUDEHJH-UHFFFAOYSA-N 347.842 4.925 0 50 EJAA O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 2574836 BSIDDQFFIIYKEX-UHFFFAOYSA-N 348.427 4.606 0 50 EJAA O=C(O)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12 5162228 QBYPVSPDWKEXRG-UHFFFAOYSA-N 332.281 4.695 0 50 EJAA c1cc(NCc2ccc3c(c2)OCO3)cc(-c2nc3ccccc3o2)c1 5590344 RIBIBDQCLRGXQU-UHFFFAOYSA-N 344.370 4.836 0 50 EJAA COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 8765308 BBWXUVRTELNMIS-UHFFFAOYSA-N 336.387 4.572 0 50 EJAA biogenic CCCC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 9229954 QZPZLVKKQXXWKD-UHFFFAOYSA-N 331.803 4.723 0 50 EJAA Cc1ccc(CSc2nnc(-c3csc(C)c3C)n2C)cc1 17067598 MIEDAPSLRJZSBZ-UHFFFAOYSA-N 329.494 4.761 0 50 EJAA FC(F)(F)c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1 32544598 FSIJVNHHOYJSDV-UHFFFAOYSA-N 337.732 4.914 0 50 EJAA Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nn1 72116031 DOWWYXKOVCGIEB-UHFFFAOYSA-N 348.406 4.838 0 50 EJAA c1ccc(Oc2cccc(N[C@H](c3cccnc3)c3ncc[nH]3)c2)cc1 195112603 KMHDEMMIXQRSHA-HXUWFJFHSA-N 342.402 4.799 0 50 EJAA CC1(C)CN(C(=O)C2(C(F)(F)F)CCCCC2)[C@@H]1c1cccnc1 663173504 XHOBXCXKPAZHOP-CQSZACIVSA-N 340.389 4.504 0 50 EJAA Cc1cc(C)c([C@@H](C)N2CC[C@](CO)(Cc3ccccc3)C2)c(C)c1 1875345448 XXTOLZJPVSDCMC-OFNKIYASSA-N 337.507 4.600 0 50 EJAA O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCCCC[C@H]1c1ccco1 2325761828 NNYGTAAURSCMQN-KKUMJFAQSA-N 341.398 4.521 0 50 EJAA O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 613447 HCONHCWRFGZFEL-HXUWFJFHSA-N 348.833 4.820 0 50 EJAA Cc1ccc(Sc2cnc(N)nc2-c2ccc(Cl)cc2)cc1 1387375 YOEMTLADMNONPG-UHFFFAOYSA-N 327.840 4.839 0 50 EJAA COc1ccccc1OCCCOc1ccc(Cl)cc1Cl 2904304 BBVDVXHFRBCKCN-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA COc1ccccc1Oc1ccc2c(c1)Oc1ccccc1NC2=O 4743917 ICPOBSLRNOJARN-UHFFFAOYSA-N 333.343 4.846 0 50 EJAA Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)o1 6747382 GYPXVRLYGFQRHH-UHFFFAOYSA-N 329.783 4.677 0 50 EJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NCc1ccoc1 12314748 XKNKQPNSLOWIGH-GOSISDBHSA-N 335.451 4.577 0 50 EJAA CC(C)c1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 14255745 BFYFINXEEXHNAH-UHFFFAOYSA-N 331.481 4.908 0 50 EJAA C[C@@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)N1CCCCC1 215661931 WZFQLAOVACZDBN-SFHVURJKSA-N 346.478 4.540 0 50 EJAA C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@@H]2CCCC[C@@H]12 229578051 JYAWNGHLPBLRNT-DVOMOZLQSA-N 330.859 4.862 0 50 EJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@H](C)c1ccc(C)cc1 252536636 JAMIYKSFRNWANZ-MRXNPFEDSA-N 335.451 4.769 0 50 EJAA Cc1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)c(C)n1 1875328976 VYAARYBNPGOMRD-UHFFFAOYSA-N 328.419 4.625 0 50 EJAA Cn1ccnc1SC(=O)N1c2ccccc2Sc2ccccc21 80760 PWJBCPVCTBYOBO-UHFFFAOYSA-N 339.445 4.935 0 50 EJAA Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)cc1 149171 YHBHOSOOUFEPBL-UHFFFAOYSA-N 330.383 4.754 0 50 EJAA C[C@@H](C(=O)O)c1cc(C(=O)c2ccccc2)sc1-c1ccccc1 186605 QQHYIPCEZGPGNG-CYBMUJFWSA-N 336.412 4.834 0 50 EJAA O=C(COc1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)CC2 317180 ZFQGQYQFDMUCCU-UHFFFAOYSA-N 337.806 4.609 0 50 EJAA O=C1C[C@H](c2ccc(-c3ccccc3)cc2)c2cc3c(cc2N1)OCO3 427643 JJPMMWQWEVXZIM-QGZVFWFLSA-N 343.382 4.556 0 50 EJAA COc1ccc([C@@H](C)NC(=S)Nc2cccc3ccccc23)cc1 621513 YMGZXKVEJZDZKA-CQSZACIVSA-N 336.460 4.896 0 50 EJAA CC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 2080177 GULISNOUJUMPBV-UHFFFAOYSA-N 345.826 4.649 0 50 EJAA CCN(CC)CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4187175 PAQQIJAKCNJBNB-UHFFFAOYSA-N 327.512 4.875 0 50 EJAA COc1cc(C)ccc1OCCCCOc1cccc2cccnc12 4701797 BFCCFIURKQIQTK-UHFFFAOYSA-N 337.419 4.790 0 50 EJAA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2 20435785 AQRJWDDBNPFISF-UHFFFAOYSA-N 335.234 4.804 0 50 EJAA CCCc1ccc2oc(C(=O)N(C)CC[C@H]3CCCCO3)c(C)c2c1 77471751 OFPISNNIHJFXQJ-QGZVFWFLSA-N 343.467 4.725 0 50 EJAA CC(C)c1cnc(SCc2cc3ccccc3[nH]c2=O)n1C(C)C 157481909 XNSWIXONRVPWIO-UHFFFAOYSA-N 341.480 4.721 0 50 EJAA Cc1cc(NC2CCCCC2)nc(-c2ccc(Br)cc2)n1 209507 MIWZYXUIFUTYGV-UHFFFAOYSA-N 346.272 4.959 0 50 EJAA COc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 288535 BNADWOMSEZLLAX-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA Clc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 432084 JFAAAEBTERWCAZ-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 614930 AIMYQIXNIXMJLB-UHFFFAOYSA-N 344.842 4.967 0 50 EJAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(F)cc2)c1C 1113804 YWLDPIDZESPYMG-UHFFFAOYSA-N 335.444 4.541 0 50 EJAA COc1ccccc1[C@@H]1CN(c2ccccc2)N=C1c1cccs1 4021905 KTKQHVZUOQDOQQ-KRWDZBQOSA-N 334.444 4.765 0 50 EJAA aggregator Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CCCC1)O2 5716106 NRGYEWCDAHNGOH-HNNXBMFYSA-N 328.799 4.747 0 50 EJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NCc1ccoc1 12314747 XKNKQPNSLOWIGH-SFHVURJKSA-N 335.451 4.577 0 50 EJAA Cc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)c1 15839895 BLSFSDFPTONGKG-LJQANCHMSA-N 336.822 4.563 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(-c3ccc(C)c(C)c3)s2)cc1 17180472 MTCZYJGUMQETRI-UHFFFAOYSA-N 338.436 4.774 0 50 EJAA CCOc1cc(C(=O)O)ccc1OCc1c(Cl)cccc1Cl 34927117 ZUZCCTJGOSZCRR-UHFFFAOYSA-N 341.190 4.669 0 50 EJAA in-vitro COc1c(CC(=O)Nc2ccc(Cl)cc2)sc2ccccc12 45068883 JILODBKXRSAIFM-UHFFFAOYSA-N 331.824 4.745 0 50 EJAA c1ccc([C@@H]2CCCCN2Cc2ccc(-c3cccnc3)cc2)nc1 72120736 CIJYUNDZWYMQKY-QFIPXVFZSA-N 329.447 4.871 0 50 EJAA CSCc1ccccc1NC(=O)c1ccc(F)cc1C(F)(F)F 186083390 SSAXXPZBWFVBAV-UHFFFAOYSA-N 343.345 4.960 0 50 EJAA CC[C@@H](N[C@@H]1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1 1875358789 JVYCAIGUNGYYRU-WOJBJXKFSA-N 337.511 4.813 0 50 EJAA Cc1ccc2c(Cl)c(OC(=O)C[C@@H](C)c3ccncc3)ccc2n1 2325742662 USUTVKQGTSGVRP-GFCCVEGCSA-N 340.810 4.691 0 50 EJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21 2325863483 LMTBMAXSCRRNGR-QZKQXFQVSA-N 339.822 4.973 0 50 EJAA O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 401582 RYOPRZDPRODNGY-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA CC[C@@H](C(=O)Nc1ccc(C)cc1Br)c1ccccc1 438464 RLYVXQDTINZEFZ-CQSZACIVSA-N 332.241 4.890 0 50 EJAA CCOc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 443781 WZARCPKZBZCOEY-UHFFFAOYSA-N 335.856 4.860 0 50 EJAA O=C(OCc1ccc(-c2cnc3ccccc3n2)cc1)c1cccs1 1077785 DLYMSSMIUBYRQC-UHFFFAOYSA-N 346.411 4.715 0 50 EJAA Cc1cccc(C(=O)c2cccc(NC(=O)c3cccc(F)c3)c2)c1C 1163400 GWBKEHAARVZAEI-UHFFFAOYSA-N 347.389 4.926 0 50 EJAA Cc1nc2c(-c3ccccc3)cnn2c(NCc2ccccc2)c1C 5202981 YHNLWQUQRDZZCZ-UHFFFAOYSA-N 328.419 4.625 0 50 EJAA CCCCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 14257865 XNPMJRFITRKHAS-UHFFFAOYSA-N 329.787 4.672 0 50 EJAA CC(C)c1cccc(C(C)C)c1OCCCCCN1CCOCC1 19815142 MSKDTOITBDXOOZ-UHFFFAOYSA-N 333.516 4.815 0 50 EJAA COc1ccc(C[C@H](C)NC2c3ccccc3-c3ccccc32)cc1 23280849 TUGATIDIHNIJBE-INIZCTEOSA-N 329.443 4.986 0 50 EJAA O=C(O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 44126730 BTPWNYQJOJYQIO-UHFFFAOYSA-N 327.232 4.901 0 50 EJAA CC[C@@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccc(F)cc1 55088031 JZZIOSHUBLGTQI-HXUWFJFHSA-N 335.426 4.832 0 50 EJAA Cc1cccc(-c2ncc(CN[C@@H](C)c3ccccc3Cl)cn2)c1 55371213 MQGARODGEBRFJU-HNNXBMFYSA-N 337.854 4.956 0 50 EJAA Oc1cc(-c2ccc(Cl)cc2)nn1-c1nc2ccccc2s1 100103448 ZKRMEWRABCSTSI-UHFFFAOYSA-N 327.796 4.508 0 50 EJAA C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935531 FWWFNYYTZPIJFZ-HADYEQCDSA-N 338.919 4.628 0 50 EJAA in-vitro Cc1cccc(Cl)c1NC(=O)N1CCC(Oc2ccccc2)CC1 132449699 RILDAEDPDKXDLM-UHFFFAOYSA-N 344.842 4.724 0 50 EJAA CN(C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)C1CCCCCCC1 170631352 UYMUQBOQYKCYGM-FUHWJXTLSA-N 338.536 4.582 0 50 EJAA CCC[C@H](N[C@@H]1COC[C@H]1C)c1ccc(Oc2ccccc2)cc1 2325822349 RKGSTSJWVWVSBK-TYCQWZJGSA-N 325.452 4.945 0 50 EJAA CCOc1cc(C=O)ccc1OCc1c(Cl)cccc1Cl 151817 YYKGJSYGQDBZLW-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA CCOc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 1773586 AMCYKJJYFCHSOA-UHFFFAOYSA-N 333.815 4.536 0 50 EJAA CCCCOc1cc(OCCCC)c2c3c(c(=O)oc2c1)CCC3 1797586 YHRLQWBUPLUPBF-UHFFFAOYSA-N 330.424 4.640 0 50 EJAA biogenic Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2C=O)cc1C 2873165 NTTBNSMZHWCUOU-UHFFFAOYSA-N 339.218 4.881 0 50 EJAA C[C@@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 3250954 FOINBVXLWLHZNX-IEBWSBKVSA-N 344.458 4.506 0 50 EJAA Cc1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c1 4599963 PZPYMEIHNXSUTC-CCEZHUSRSA-N 338.410 4.865 0 50 EJAA Cc1ccc2oc(=O)cc(-c3sc4nc(C)cc(C)c4c3N)c2c1 11731165 MALLXAJKUBNNPN-UHFFFAOYSA-N 336.416 4.577 0 50 EJAA biogenic O=C(/C=C/c1cccc(Cl)c1Cl)OCCCc1ccncc1 2325705776 GAKXYLMMZMYPOM-VOTSOKGWSA-N 336.218 4.578 0 50 EJAA S=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N1CCCC1 307037 VXOQSXFNGRCQFJ-UHFFFAOYSA-N 331.868 4.690 0 50 EJAA CC[C@@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 457049 BNKGUOJOEHZNSN-OAHLLOKOSA-N 332.241 4.890 0 50 EJAA COc1cc(CO)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 471110 ZQELLMMFSJKJNL-UHFFFAOYSA-N 347.625 4.727 0 50 EJAA CC(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1 1122815 ZDIZEVURNGIZEU-UHFFFAOYSA-N 327.384 4.651 0 50 EJAA CC(C)(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 1204729 NRFSYLGGHVQJFO-UHFFFAOYSA-N 340.448 4.611 0 50 EJAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1ccccc1 1216446 GSYLOTNCOOOVAM-UHFFFAOYSA-N 341.414 4.720 0 50 EJAA CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 1940064 JFLOKAUUGRWXAG-FMIVXFBMSA-N 343.810 4.559 0 50 EJAA CCOc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526033 OLVPQAYESQGLKG-UHFFFAOYSA-N 341.794 4.961 0 50 EJAA O=C(/C=C/c1c(F)cccc1Cl)NCCCCc1ccccc1 2754809 PTDUBZXGEATTQI-OUKQBFOZSA-N 331.818 4.631 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccc(F)cc2)o1 2759948 ZWIBOHMOVGHVIH-UHFFFAOYSA-N 345.757 4.903 0 50 EJAA Cc1ccc(-c2cc(C(=O)n3cccn3)c3cccc(C)c3n2)cc1C 6789538 QWPFTRGKDPJTMU-UHFFFAOYSA-N 341.414 4.712 0 50 EJAA CCN(Cc1ccccc1)Cc1nc(-c2cccc(F)c2F)oc1C 12302864 RKHWZHDQLRIVSW-UHFFFAOYSA-N 342.389 4.950 0 50 EJAA C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 42862434 UWBICEKKOYXZRG-BXOMYGOZSA-N 342.479 4.594 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 55292130 FJTRRGCDNOHHTM-UHFFFAOYSA-N 348.412 4.644 0 50 EJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3cnccn3)cc12 71735474 ONSOZXJSCANTFA-UHFFFAOYSA-N 332.382 4.685 0 50 EJAA O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@@H]21 169727435 YYQMQAMHCREBFZ-MOPGFXCFSA-N 337.399 4.572 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)COC2 244795114 QZTOOMKMNWTDPA-LJQANCHMSA-N 339.439 4.507 0 50 EJAA COc1ccc(C(=O)c2ccc(Cl)cc2)c2c(OC)cccc12 670417847 TYAKDWNEJWYYOX-UHFFFAOYSA-N 326.779 4.741 0 50 EJAA CCC(=O)C[C@H](Sc1cc(=O)oc2ccccc12)c1ccccc1 229996 WWNYVGXZPUBTRV-SFHVURJKSA-N 338.428 4.996 0 50 EJAA COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3o2)cc1 382016 BHQAJSGZFHSSJY-UHFFFAOYSA-N 333.796 4.560 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccccc1 2893383 SFMZMGIXWINPLS-UHFFFAOYSA-N 326.179 4.621 0 50 EJAA CO[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 4701923 ILCAMHRLCDDSRN-NRFANRHFSA-N 347.414 4.592 0 50 EJAA Cc1oc(-c2cccc3ccccc23)nc1CN(C)[C@H](C)c1ccon1 12717670 NAFSXYXQLFOTKH-CQSZACIVSA-N 347.418 4.984 0 50 EJAA Cc1ccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1 16577538 BVDRJKLIJDHYIY-FQEVSTJZSA-N 336.435 4.665 0 50 EJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc(C)o3)C2)cc1 20994166 SXCUCEWFAPODFM-SFHVURJKSA-N 335.451 4.666 0 50 EJAA COc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccon2)c(C)c1 65504928 OGYNQELNMYXDHN-UHFFFAOYSA-N 345.402 4.570 0 50 EJAA CC1(C)CN(C(=O)C2(C(F)(F)F)CCCCC2)[C@H]1c1cccnc1 663173503 XHOBXCXKPAZHOP-AWEZNQCLSA-N 340.389 4.504 0 50 EJAA C[C@@H]1CCCCCN1C(=O)N[C@@H](CC1CCOCC1)c1ccccc1 1875258588 ZWNSMIMDHCNVED-XLIONFOSSA-N 344.499 4.519 0 50 EJAA O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccccc1Cl 501562 IOMXHJRNUURFSA-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)c(C)c1 617418 KFYZFLPXKVRGIE-INIZCTEOSA-N 348.240 4.554 0 50 EJAA O=C(OCc1ccccc1)c1ccc(F)cc1OCc1ccccc1 35287403 GOSCYMWPVHDXJI-UHFFFAOYSA-N 336.362 4.762 0 50 EJAA CN(Cc1cccc2c1oc1ccccc12)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529101255 AYGIKHUITROAIH-USTZCAOPSA-N 335.447 4.567 0 50 EJAA CCOC(=O)c1c(C)n(-c2ccccc2)c2c1cc(O)c1ccccc12 181310 MFIKHLHFDQSQSC-UHFFFAOYSA-N 345.398 4.974 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccc(N(C)C)c3ccccc23)c(C)c1 307622 HTQIPDRYRVDRLS-UHFFFAOYSA-N 348.446 4.540 0 50 EJAA COc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)c(OC)c1 613464 VYDWFLZGDNUPJA-UHFFFAOYSA-N 330.453 4.636 0 50 EJAA CCOc1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1 1190519 NFMVDZDBZXJLTM-UHFFFAOYSA-N 332.762 4.519 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 2763363 GASOQAAUMNRJGW-MRXNPFEDSA-N 325.452 4.549 0 50 EJAA COc1ccc(CCN(C)C2CCC(C(C)(C)C)CC2)cc1OC 4989224 PVAFDXYOJDQLEI-UHFFFAOYSA-N 333.516 4.783 0 50 EJAA O=C(NCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 13320433 QSGVNOWCHSLUKJ-UHFFFAOYSA-N 346.711 4.820 0 50 EJAA O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@H]21 261190514 YYQMQAMHCREBFZ-RBUKOAKNSA-N 337.399 4.572 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1C 331496387 HAQZWQLSEYLAJY-KBXCAEBGSA-N 326.444 4.532 0 50 EJAA COc1ccc([C@H](C)N(C)Cc2cnc(C3CCCCC3)nc2)cc1 952987582 OQTCVUBKOGRBDV-INIZCTEOSA-N 339.483 4.726 0 50 EJAA CCO[C@H](C)c1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1 1506423207 URUPHSJIHIOAQL-QGZVFWFLSA-N 336.435 4.727 0 50 EJAA Cc1cc(Oc2ccccc2)nc(N2CCC(c3ccccc3)CC2)n1 2325839683 BARORGSGOAINGI-UHFFFAOYSA-N 345.446 4.961 0 50 EJAA Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(C)c1 3671126 IUAUTUDAHRRCPT-UHFFFAOYSA-N 335.436 4.522 0 50 EJAA COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Cl)c1OC 4140900 CUYDOFQSBSMKIM-SOFGYWHQSA-N 341.794 4.781 0 50 EJAA O=C(Nc1cccc(Cl)c1)Nc1cccc(OC[C@@H]2CCCO2)c1 10297251 IGLLDTGOOGHOML-KRWDZBQOSA-N 346.814 4.542 0 50 EJAA CCn1c(C)cc2cc(NC(=O)N(C)[C@@H](C)c3ccco3)ccc21 299770235 OHGUHJJYNLVKHQ-AWEZNQCLSA-N 325.412 4.788 0 50 EJAA CN(C)Cc1ccc([C@H]2CCCN2Cc2cc3ccccc3o2)cc1 1506407154 OQNXQAUFVWYLDS-OAQYLSRUSA-N 334.463 4.832 0 50 EJAA Cc1ccc(SCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 442961 QKMZGNZAAQQCGG-UHFFFAOYSA-N 339.504 4.568 0 50 EJAA CCSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 475392 PTCBZSYGQWAINK-UHFFFAOYSA-N 341.461 4.569 0 50 EJAA Cc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1 1428915 VZIZHLKECMWUSI-NRFANRHFSA-N 344.458 4.792 0 50 EJAA CCN1CCC(Nc2c3c(nc4cc(Cl)ccc24)CCCC3)CC1 144727257 AXLYOAXOIGRBKX-UHFFFAOYSA-N 343.902 4.663 0 50 EJAA C[C@@H]1CN(C(=O)c2cnc(-c3ccco3)s2)c2ccccc2S1 176136155 NVAOKDUFYUJRNW-LLVKDONJSA-N 342.445 4.544 0 50 EJAA CC(C)c1cc(NC(=O)C[C@H]2CC[C@@H](N)CC2)ccc1C(F)(F)F 2325874651 VURXDULGEILRGE-BETUJISGSA-N 342.405 4.675 0 50 EJAA COc1ccc(Nc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 136940 QOUFFHKCYRJDLV-LLVKDONJSA-N 325.437 4.568 0 50 EJAA Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)cc1 2906110 XOORPTRHWLIQOU-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA O=C(c1ccccc1)[C@@H]1Oc2ccccc2OC=C1c1ccccc1 3138789 DFHGQWDTWMIVQP-JOCHJYFZSA-N 328.367 4.750 0 50 EJAA C[C@H](NC(=O)NC1(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 4577437 OMSPNVOUALJYAS-SIHNGCNOSA-N 338.495 4.580 0 50 EJAA O=C(Nc1ccccc1)c1c(Br)sc2c1CCCC2 4851183 KKLIRVCABFXVKA-UHFFFAOYSA-N 336.254 4.642 0 50 EJAA COc1ccc(OC)c2c(C)cc(NCc3cccc(Cl)c3)nc12 5007494 OLXPJRIFAPJCPB-UHFFFAOYSA-N 342.826 4.826 0 50 EJAA COc1ccccc1C(=O)NCCc1ccc2oc3ccccc3c2c1 6668492 NOVQCZUTSHAZEQ-UHFFFAOYSA-N 345.398 4.567 0 50 EJAA CCc1ccc(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 11999003 UVYJWNWQXAWGHB-UHFFFAOYSA-N 341.842 4.584 0 50 EJAA CCCCNC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 12404388 CESIGVOCTVJZGQ-UHFFFAOYSA-N 345.830 4.514 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)no1 64984648 JBDOCVYZZPFJIE-GOSISDBHSA-N 327.428 4.613 0 50 EJAA c1ccc(C2(c3ccccc3)CCCN(Cc3cscn3)C2)cc1 95525969 PNCZFDXPVXKVPA-UHFFFAOYSA-N 334.488 4.725 0 50 EJAA Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)s1 170615595 ICMQTCZPENQRRN-CQSZACIVSA-N 328.481 4.683 0 50 EJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@@H]12 2325863482 LMTBMAXSCRRNGR-QQXKLLMISA-N 339.822 4.973 0 50 EJAA O=C(COc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 46468 XXWUWGJMQGOYHT-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)n1 209767 IEWFXMKNNAHDLV-UHFFFAOYSA-N 344.393 4.752 0 50 EJAA O=C(Nc1cccc2c1CCCC2)c1ccccc1Br 299296 CCOXHNGTYCBMOG-UHFFFAOYSA-N 330.225 4.580 0 50 EJAA Cc1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)cc1C 449399 UYZZRDBYGVTVHZ-ZHACJKMWSA-N 345.398 4.779 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)C[C@@H]1Sc2ccccc2N=C1O 1306372 CFRCNOOOOCTHAT-HNNXBMFYSA-N 346.839 4.740 0 50 EJAA Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cs1 2785313 JCYXNEKKIVDDKX-UHFFFAOYSA-N 330.634 4.725 0 50 EJAA CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccco1 2814719 GGOKQDCYXSYLEP-HXUWFJFHSA-N 337.419 4.752 0 50 EJAA biogenic COc1ccc(-c2nn(Cc3ccccc3)c3nc(C)cc(C)c23)cc1 2847075 PXIVBWBTYIXNCU-UHFFFAOYSA-N 343.430 4.772 0 50 EJAA CCCCC1CCC(C(=O)Nc2nnc(SCC)s2)CC1 6244165 GMNLZIGGFPNUFH-UHFFFAOYSA-N 327.519 4.585 0 50 EJAA CCCCn1ccnc1[C@H]1CCCN(c2ccc3ccccc3n2)C1 95518645 JBTMXEPKKUMFFS-SFHVURJKSA-N 334.467 4.615 0 50 EJAA Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3C3CCC3)c2)n1 121235816 GZUXUFKMVYVJDO-SFHVURJKSA-N 339.439 4.755 0 50 EJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1F)N2 239433624 YEKIJPBPCQBBIK-ROILNYFKSA-N 337.394 4.820 0 50 EJAA COc1cccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@H]3C2)c1 248150382 BDTPXVPXFDPGSX-CTNGQTDRSA-N 336.435 4.611 0 50 EJAA Cc1cc(C)c2oc(C(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c2c1 334162437 NVRPHHCRJZNEKG-UHFFFAOYSA-N 347.370 4.717 0 50 EJAA C[C@@H](c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1)N1CCCCC1 426661369 RHBOUZWMLBMWAZ-KRWDZBQOSA-N 336.479 4.602 0 50 EJAA Cc1ccc(NC(C)C)cc1-c1ccccc1OC[C@H]1CCOC1 665145027 XTRWSPJASUEGNA-KRWDZBQOSA-N 325.452 4.898 0 50 EJAA CC(C)(C)C[C@H](NC(=O)c1conc1-c1ccccc1)c1cccnc1 670457207 GAIDBLOHQZPYKZ-SFHVURJKSA-N 349.434 4.644 0 50 EJAA O=C(CNC1CCCCC1)N1c2ccccc2C=Cc2ccccc21 184329 YHKBDMUMPGOTMG-UHFFFAOYSA-N 332.447 4.757 0 50 EJAA CN(C(=O)Oc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 608868 QQHSPGRKHOAHOU-UHFFFAOYSA-N 347.370 4.541 0 50 EJAA COc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1Cl 619203 ZZSJZBDORMXIEA-LBPRGKRZSA-N 335.856 4.609 0 50 EJAA Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@H]2n1ccnc1 3783800 MPTJIDOGFUQSQH-GOSISDBHSA-N 329.230 4.926 0 50 EJAA world O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2ccccc2C1 4769688 OVBBRARSCRSULW-CYBMUJFWSA-N 335.234 4.672 0 50 EJAA Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1N1CCOCC1 5678096 MCAIAKIVDVYMBX-UHFFFAOYSA-N 338.838 4.700 0 50 EJAA COc1cccc(-n2c([C@H]3C[C@@H]3c3ccc(C)cc3)n[nH]c2=S)c1 6533844 RZLCWCPSHYSWNR-SJORKVTESA-N 337.448 4.518 0 50 EJAA Cc1cc(N2CCN(c3ccccc3)CC2)nc2cc(Cl)ccc12 19720720 SYKTVONJUGDUGZ-UHFFFAOYSA-N 337.854 4.523 0 50 EJAA CC(=O)N[C@H]1C[C@@H](c2c(C)cccc2C)O[C@@H](C2CCCCC2)C1 65429024 WPLAYFHSHLYZDV-AQNXPRMDSA-N 329.484 4.609 0 50 EJAA COc1ccc(COc2ccc(Br)cc2)c(Cl)c1 86005584 QFYKFTQGMSNUSC-UHFFFAOYSA-N 327.605 4.690 0 50 EJAA O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@H]1c1ccco1 116478664 GMBPWZDNJAQSSP-HNNXBMFYSA-N 339.420 4.772 0 50 EJAA CC(C)c1cc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)no1 215200457 QRUDPFYUNSDVHW-GOSISDBHSA-N 337.423 4.790 0 50 EJAA CO[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)[C@@H](C(C)=O)CC[C@@H]23)[C@]2(C)CC[C@@H]3C[C@]312 257357684 PJHBKOQWGPXVAP-QKCQJNTGSA-N 330.512 4.859 0 50 EJAA Cc1ccc([C@@H]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 2325773383 RCMCGFVQGZEVPT-ROUUACIJSA-N 326.440 4.713 0 50 EJAA Cc1sc2ncnc(SCC(=O)c3ccc(Cl)cc3)c2c1C 72478 MFWHGWMODPHPMT-UHFFFAOYSA-N 348.880 4.937 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(F)c1 2779711 DQOSWTBUXDDRFE-UHFFFAOYSA-N 342.197 4.930 0 50 EJAA Cc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1C 2924611 SHRQKOUONFDGQF-KRWDZBQOSA-N 334.246 4.758 0 50 EJAA COc1ccccc1-c1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 109454640 CVJOQUNSFFYPLU-CABCVRRESA-N 326.783 4.670 0 50 EJAA CCCc1cccc(C(C)C)c1NC(=O)NC1CCC(C(=O)O)CC1 262999166 FUUCXJNHALTQSR-UHFFFAOYSA-N 346.471 4.527 0 50 EJAA O=C(O)C1CCC(NCC2(c3cccc(Cl)c3)CCCCC2)CC1 263394887 GFAXSKNHOFXYED-UHFFFAOYSA-N 349.902 4.775 0 50 EJAA O=C(c1sc2ccccc2c1Cl)N1CCc2ccccc2C1 66964 VAOIMSZUWPGGRU-UHFFFAOYSA-N 327.836 4.753 0 50 EJAA CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC[C@@H](CC)C2 86300 DVGFOAMYKMCTFV-GFCCVEGCSA-N 349.496 4.568 0 50 EJAA Clc1ccc(-c2csc3ncnc(NC[C@@H]4CCCO4)c23)cc1 145092 CUEDGOGQJKBMNF-ZDUSSCGKSA-N 345.855 4.603 0 50 EJAA CCOc1ccc(/C=C/C(=O)Nc2ccc(N(CC)CC)cc2)cc1 458892 NGWKLCIZSCEHFQ-CXUHLZMHSA-N 338.451 4.583 0 50 EJAA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1cccs1 554802 LQLMMBMHZKZLBE-OAHLLOKOSA-N 338.457 4.801 0 50 EJAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 609114 AHWGZZVVUVSCFR-UHFFFAOYSA-N 346.833 4.966 0 50 EJAA O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H](c2ccccc2)C1 1112908 DWLAITCHDNQNGZ-QFIPXVFZSA-N 327.427 4.983 0 50 EJAA Cc1cc(OCCCC(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl 1787140 BVISZUCXZDGHRZ-MRXNPFEDSA-N 345.870 4.993 0 50 EJAA FC(F)(F)c1cc(Cl)ccc1NC(=S)NCc1ccccc1 2141565 DHOVKNXEOGJVQR-UHFFFAOYSA-N 344.789 4.845 0 50 EJAA COc1cccc(OCCCOc2ccc(Cl)cc2Cl)c1 2904906 NLXYPECYPORYKT-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA COC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 4262522 GBQCMRLPXFXVIN-UHFFFAOYSA-N 348.398 4.631 0 50 EJAA biogenic,in-vitro COc1ccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc2c1 4857811 GIUAANDAPYYRLP-UHFFFAOYSA-N 341.413 4.654 0 50 EJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1C 13857888 FFLMDJMTUUZMJA-RTBURBONSA-N 347.414 4.551 0 50 EJAA FC1(F)CCCN(c2cccc(Br)c2C(F)(F)F)C1 169725656 PGLIGLRTZRHQFD-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA Cc1cc(C)c([C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)c(C)c1 2325828777 QWNIRQGKWXLUFE-INIZCTEOSA-N 329.871 4.530 0 50 EJAA O=C(Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 405480 JIQAYNVQCTWLRN-UHFFFAOYSA-N 326.406 4.550 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OC(C)C)c1 434146 DNMOMEBWSZCZKM-UHFFFAOYSA-N 336.391 4.690 0 50 EJAA CC(C)(C)NC(=O)c1ccc(COc2cccc3ccccc23)cc1 467815 NPGABEJONPZQCG-UHFFFAOYSA-N 333.431 4.947 0 50 EJAA Cc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 4672457 NNBFWPPRHCNGGU-OAQYLSRUSA-N 327.427 4.940 0 50 EJAA C[C@@H](CCc1ccccc1)NCc1ccc(-c2cccc(C(=O)O)c2)o1 12383461 LRBJHAKGYIYZHC-INIZCTEOSA-N 349.430 4.756 0 50 EJAA c1ccc(-c2ccc(-c3ccnc4nc(-c5ccco5)nn34)cc2)cc1 71376113 RUKXHSWQBPVQRH-UHFFFAOYSA-N 338.370 4.718 0 50 EJAA Cc1nc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)cs1 72143436 DWOGNRKSOKSTJP-AWEZNQCLSA-N 336.451 4.575 0 50 EJAA COC(=O)c1cc(-c2ccccc2)c(C(=O)OC)cc1-c1ccccc1 97757202 MPJYZGXACATOPK-UHFFFAOYSA-N 346.382 4.594 0 50 EJAA CCOC(=O)c1cc2sc3cc(C(=O)OCC)sc3c2s1 113743488 SXBIAKZMSXMKTA-UHFFFAOYSA-N 340.447 4.531 0 50 EJAA CCCC1(CN[C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 252481536 CNQAWBFFHDTOSZ-SFHVURJKSA-N 344.499 4.600 0 50 EJAA CCc1cc(CN(C)C(=O)c2ccc(-c3sccc3C)cc2)on1 426502836 DOZJVYPPUWNURR-UHFFFAOYSA-N 340.448 4.546 0 50 EJAA C[C@@H](c1cccc(-c2ccc(Cn3ccnc3)cc2)c1)N1CCCC1 534675683 SSZDQKPTOBEBLF-SFHVURJKSA-N 331.463 4.755 0 50 EJAA CCOc1ccc(CN2CC[C@H]2c2cccc(OC)c2)cc1Cl 823383243 WJBUYQVKOSGXSS-SFHVURJKSA-N 331.843 4.694 0 50 EJAA CSCc1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 1776111069 TURLHWWFGSEGIF-UHFFFAOYSA-N 346.868 4.522 0 50 EJAA Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1C 303364 HIKDUYCFYFBCBO-UHFFFAOYSA-N 325.452 4.510 0 50 EJAA CCc1c(C)sc(NC(=O)[C@@H](CC)c2ccccc2)c1C(=O)OC 482750 OPZDTLISSYODLP-HNNXBMFYSA-N 345.464 4.538 0 50 EJAA CCc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 617612 LNLJZTDDDXPJFB-QZTJIDSGSA-N 338.842 4.640 0 50 EJAA CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C1CC1 2759982 QAHYBZNFQGRETK-UHFFFAOYSA-N 343.448 4.557 0 50 EJAA C[C@](O)(c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 3124726 QGFOPLXFCMRMBI-DEOSSOPVSA-N 328.455 4.826 0 50 EJAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)/C=C/c2ccccc2)c1 5681975 RUGIPBKAJYCYGF-FYWRMAATSA-N 341.410 4.878 0 50 EJAA Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccccc2)s1 15867084 YWXQQPPDTXHWFF-QGZVFWFLSA-N 328.481 4.883 0 50 EJAA CNCCCn1cnc(-c2ccccc2)c1-c1ccc(Cl)cc1F 65499026 MCQBPUSXHWHMRW-UHFFFAOYSA-N 343.833 4.619 0 50 EJAA Clc1cccc(-c2nc(CN(Cc3ccccn3)C3CC3)co2)c1 180860348 LSIORBLNRJSPDO-UHFFFAOYSA-N 339.826 4.555 0 50 EJAA Cc1ccsc1C(=O)Nc1ccc(NC(=O)C(C)C)c(Cl)c1 827621576 HPELHVXJZGCIOP-UHFFFAOYSA-N 336.844 4.557 0 50 EJAA Fc1cc(Cl)ccc1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857681786 ARUYDGAHDZXELF-KBXCAEBGSA-N 347.865 4.607 0 50 EJAA CC(C)C1CCC([C@@](C)(O)CNCc2cccc3c2CCCC3)CC1 2325841757 FNWPGHZRJQFBNH-HCPAQRILSA-N 343.555 4.868 0 50 EJAA O=C(Nc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 2573747 AIYRAPUSENGMIS-UHFFFAOYSA-N 328.843 4.827 0 50 EJAA CC(C)(C)c1cc(Cl)ccc1OCCOCCN1CCCCC1 3000985 BKPQBPYKEOWRHJ-UHFFFAOYSA-N 339.907 4.519 0 50 EJAA CCn1c([C@](O)(c2ccccc2)c2ccc(C)cc2)nc2ccccc21 4608209 XZVPEFKOEJTHHP-QHCPKHFHSA-N 342.442 4.649 0 50 EJAA CC[C@@H](C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 12404226 WMAXCSDJWCUQRQ-GFCCVEGCSA-N 345.830 4.512 0 50 EJAA COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1 19893714 LLWSLPLDHNDQAO-NQIIRXRSSA-N 346.386 4.531 0 50 EJAA Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1C 64985011 BHMMEGMIINUHRJ-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225717105 WQDMUCOZHKSZFI-YXPKMTABSA-N 343.470 4.945 0 50 EJAA O=C(O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1 328578965 CEBZWIUKEOEWDE-UHFFFAOYSA-N 327.742 4.906 0 50 EJAA CCCc1ccc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)o1 1857701305 OQMBMAKFEXVOCB-PKOBYXMFSA-N 341.499 4.750 0 50 EJAA CC(=O)c1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 315752 VZBYBYUYZSNDKU-UHFFFAOYSA-N 330.383 4.818 0 50 EJAA aggregator COc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 351959 OEGROYNDLLHXGP-UHFFFAOYSA-N 331.371 4.776 0 50 EJAA COc1ccc([C@@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 401105 ZHCIBQAOOXEWGW-VQTJNVASSA-N 336.431 4.811 0 50 EJAA CSc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)cc1 67756156 IVNYFQGTLOYVCS-UHFFFAOYSA-N 327.453 4.740 0 50 EJAA CC(C)(C)[C@H]1OCCC[C@H]1CNc1nc(C(F)F)nc2ccccc12 170631090 HTDTWJIGOROLGT-WFASDCNBSA-N 349.425 4.821 0 50 EJAA Clc1ccc(Cl)c([C@H](NCc2ncccn2)c2ccccc2)c1 190398568 XLJOYUKGJIUBKF-GOSISDBHSA-N 344.245 4.663 0 50 EJAA COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 239046966 GAHFOJIJYCNZSE-PPRBQIKUSA-N 349.430 4.690 0 50 EJAA Cc1cnc(CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 390833008 ANRJXCVGZBGFJH-OAHLLOKOSA-N 344.764 4.896 0 50 EJAA Oc1ccc(Cl)c(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 1308068969 UXFAJUAZIJFPNW-KRWDZBQOSA-N 329.827 4.582 0 50 EJAA Fc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 1857681312 IQZPLQMCXLZPFS-KBXCAEBGSA-N 347.865 4.607 0 50 EJAA C[C@H](NCCn1ncc2ccccc21)c1ccc(Cl)c(Cl)c1 2325869960 DDZYGFNITLXZQJ-LBPRGKRZSA-N 334.250 4.694 0 50 EJAA COc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 38869 JVQFJUKHAPJKIV-UHFFFAOYSA-N 332.403 4.620 0 50 EJAA CSc1ncnc2scc(-c3ccc(Br)cc3)c12 132326 MBCHRIIOMYGXIK-UHFFFAOYSA-N 337.267 4.843 0 50 EJAA O=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl 245066 RMBBGYYJTMLZBI-UHFFFAOYSA-N 329.233 4.917 0 50 EJAA CN(C)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 302136 YNCYFOSCYNTRPV-UHFFFAOYSA-N 341.418 4.501 0 50 EJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC(C)C 314153 HFPUIKASVASTSH-UHFFFAOYSA-N 331.437 4.576 0 50 EJAA O=C(Cc1cccc2ccccc12)Nc1ccc(Br)cc1 397842 LTJHKRHEMPJGCF-UHFFFAOYSA-N 340.220 4.784 0 50 EJAA COc1ccccc1Oc1ccc(NC(=O)c2ccccc2F)cc1 463524 WBCGBKRPRVVNNG-UHFFFAOYSA-N 337.350 4.879 0 50 EJAA COc1ccc(Cc2nc3ccccc3n2Cc2ccccc2F)cc1 572402 UDIVYHXEHAJWAG-UHFFFAOYSA-N 346.405 4.823 0 50 EJAA CC(C)NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 1063807 IINKSJDBWCBUKJ-UHFFFAOYSA-N 331.721 4.757 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 1753465 GDJPSKNTJQSBNY-UHFFFAOYSA-N 340.423 4.904 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 1909424 HLCMGLKAPHWCOC-UHFFFAOYSA-N 331.799 4.549 0 50 EJAA C[C@@H](NC(=S)NCc1cc2cc(Cl)ccc2[nH]1)c1ccccc1 2781619 LOYZYEQSDLMSLF-GFCCVEGCSA-N 343.883 4.547 0 50 EJAA O=C(Nc1ccc(Cc2ccccn2)cc1)C12CC3CC(CC(C3)C1)C2 4708840 BRBMKJOLSUAHOU-UHFFFAOYSA-N 346.474 4.827 0 50 EJAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1Br 4821251 QJQVYMPCNRNHPX-UHFFFAOYSA-N 334.044 4.618 0 50 EJAA COc1cc2c(cc1OC)CN(C1CCC(C(C)(C)C)CC1)CC2 4989239 RBCLLSOCIVWIDF-UHFFFAOYSA-N 331.500 4.667 0 50 EJAA Clc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1 19537628 PWPSWWLYGOCHNA-UHFFFAOYSA-N 336.866 4.815 0 50 EJAA CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)on1 64985015 GKVJXIDNQASHRQ-OAHLLOKOSA-N 333.819 4.568 0 50 EJAA Cc1cc([C@H]2CCCCN2Cc2ccc3cccc(Cl)c3n2)no1 97522059 RJCVDPFGFOBSCX-GOSISDBHSA-N 341.842 4.912 0 50 EJAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(-c2ccccc2)cs1 263508325 MQUGAWWECAKHFH-SNRMKQJTSA-N 341.476 4.633 0 50 EJAA O=C(Cc1ccccc1)n1cc(Cl)c2cc(C(F)(F)F)cnc21 263639988 RQAUFKWWPZXBTG-UHFFFAOYSA-N 338.716 4.591 0 50 EJAA CCC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1F)c1ccccn1 773880917 QFEWEGBIAQZXEL-OAHLLOKOSA-N 330.403 4.530 0 50 EJAA C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)c1ncccc1F 1875261544 WFZDQUOHTGMALH-ZDUSSCGKSA-N 349.361 4.763 0 50 EJAA Cc1ccc(Nc2nc([C@]3(C)C[C@H](C(C)C)C(=O)O3)cs2)cc1 345736 GZCFSMSWTAJCGE-KDOFPFPSSA-N 330.453 4.629 0 50 EJAA O=C(c1sc2cc(F)ccc2c1Cl)N1CCc2ccccc21 355739 JBNMUYGXXZABNT-UHFFFAOYSA-N 331.799 4.897 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1ccc2c3c(cccc13)CC2 435968 KYBZJDCDFDUMGE-UHFFFAOYSA-N 337.806 4.853 0 50 EJAA CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 454465 FZECYDFJTFXTCT-NTCAYCPXSA-N 345.398 4.668 0 50 EJAA CCc1cc2c(=O)c(-c3ccccc3C)c(C)oc2cc1OC(C)=O 2390831 XHLOPRJJNBXAGS-UHFFFAOYSA-N 336.387 4.565 0 50 EJAA CC(C)CC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 4810564 VLFLIXAINMWXNY-UHFFFAOYSA-N 327.815 4.868 0 50 EJAA CC1CCN(CCOCCOc2c(Cl)ccc3ccccc23)CC1 5102075 XJDRPJAQIUYADO-UHFFFAOYSA-N 347.886 4.621 0 50 EJAA Cc1c(C)n(C2CCCCC2)c2ncnc(NCc3cccnc3)c12 8990494 NVOWFFAEOXLPPB-UHFFFAOYSA-N 335.455 4.560 0 50 EJAA CC(C)c1cccc(C(C)C)c1OCCCCCN1CCN(C)CC1 19792616 KXQABDHFCFIHPG-UHFFFAOYSA-N 346.559 4.730 0 50 EJAA O=C(c1ccc2ncsc2c1)N1CCCC[C@@H]1c1cccc(F)c1 77287514 NNOYZJKRKXANAV-QGZVFWFLSA-N 340.423 4.803 0 50 EJAA Cc1ccc2c(C)c(C(=O)N(C)[C@H](C)c3nc(C)sc3C)oc2c1 91973959 HISPYUFZPKIOKV-GFCCVEGCSA-N 342.464 4.956 0 50 EJAA Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1Cl 151004278 OIKLMJRJEOCWNF-UHFFFAOYSA-N 330.746 4.695 0 50 EJAA CSc1c(F)cccc1C(=O)Nc1c(Cl)ccc(F)c1C 253433394 WJPOTOFKUTYPOW-UHFFFAOYSA-N 327.783 4.901 0 50 EJAA CCC[C@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1 299773367 GBSBCOFRTKCIFY-IBGZPJMESA-N 343.854 4.648 0 50 EJAA CCCCN(Cc1ccc(C)s1)C(=O)NCc1ccc(F)cc1 426632909 ROXLHJLPSROKBH-UHFFFAOYSA-N 334.460 4.708 0 50 EJAA CC[C@H]1C[C@@H](NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCO1 1473966446 XDYMYLDNOCPCQW-KBPBESRZSA-N 330.299 4.818 0 50 EJAA Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1C 175941 LEQPJRNZCGTVFF-UHFFFAOYSA-N 328.462 4.644 0 50 EJAA O=C1C(Nc2ccccc2)=C[C@H](c2cccc(F)c2)N1c1ccccc1 191510 MAPYSZNNGNHTEB-OAQYLSRUSA-N 344.389 4.910 0 50 EJAA COc1ccc(Br)cc1C(=O)Nc1ccccc1C(C)C 308311 VDZGHKIUDZEXRJ-UHFFFAOYSA-N 348.240 4.833 0 50 EJAA CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 316802 XOBIFQAYSOGZKB-JLHYYAGUSA-N 336.435 4.810 0 50 EJAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CCC1 371590 HRVQQFVSQYWFOT-UHFFFAOYSA-N 343.448 4.639 0 50 EJAA CC(C)c1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 1397646 RFBJKGPGFZFFEW-KRWDZBQOSA-N 330.811 4.905 0 50 EJAA C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2ccccc2)cc1 1459178 QOTKJFSQSYZHAS-KRWDZBQOSA-N 343.426 4.710 0 50 EJAA Cc1sc2nc(SC/C=C/c3ccccc3)nc(N)c2c1C 1895685 PDIWLKLLSCESEC-RMKNXTFCSA-N 327.478 4.696 0 50 EJAA Cc1nn2c(N3CCCCC3)c3c(nc2c1-c1ccccc1)CCCC3 2223487 XMHRXABPUGTWSP-UHFFFAOYSA-N 346.478 4.574 0 50 EJAA CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)O)c2c[nH]c3ccccc23)cc1 2543614 XBFFWUXQRIRPCQ-QGZVFWFLSA-N 349.430 4.907 0 50 EJAA CC(C)OP(=O)(Nc1ccc(Br)cc1)OC(C)C 2810023 DNCKPUSKVUFTIM-UHFFFAOYSA-N 336.166 4.819 0 50 EJAA CCN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 4950854 YVEOEHJYKRAPOC-FOWTUZBSSA-N 325.389 4.535 0 50 EJAA O=C(NCCOc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2 5008771 XWLXYIRSTUBTTG-UHFFFAOYSA-N 349.474 4.551 0 50 EJAA O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccc(Cl)cc1 36620878 JTVCPBPTRXVUID-INIZCTEOSA-N 336.769 4.987 0 50 EJAA COc1ccc([C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 36620973 RBSIGGDHBDKHKB-FQYNAJQUSA-N 339.479 4.575 0 50 EJAA Cc1ccc2c(Cl)c(C(=O)NCCc3ccccc3)sc2c1 186005 MGIQDMGIVQACIP-UHFFFAOYSA-N 329.852 4.836 0 50 EJAA COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1Cl 342082 AFLOJGZEZGKZKB-UHFFFAOYSA-N 337.806 4.853 0 50 EJAA O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(O)c1 470473 MQVLCEJBGKQWNU-UHFFFAOYSA-N 342.247 4.571 0 50 EJAA C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 4811182 NOGYIGBBMLYFEE-QGZVFWFLSA-N 331.415 4.757 0 50 EJAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3cccnc3)c(C)o2)o1 67514584 ATRYBZXWQSRUJA-GOSISDBHSA-N 337.423 4.674 0 50 EJAA Cc1cncc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 184468643 LSVABARVAILRFW-INIZCTEOSA-N 332.451 4.763 0 50 EJAA c1ccc([C@H]2CCCCN2Cc2cnc(C3CCCCC3)nc2)nc1 216458469 IQDZEXSOQQWCMF-HXUWFJFHSA-N 336.483 4.647 0 50 EJAA c1ccc2oc(-c3noc(-c4c[nH]nc4-c4ccsc4)n3)cc2c1 225605333 SYWPGFKWZYIVJW-UHFFFAOYSA-N 334.360 4.601 0 50 EJAA C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H]1c1ccsc1 239591368 BBCTWGHZQXJGKP-WBMJQRKESA-N 334.872 4.566 0 50 EJAA C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccccc1C(C)(F)F 667184379 PHXUDQWQUWVEAQ-YVEFUNNKSA-N 330.378 4.648 0 50 EJAA Cn1ccnc1-c1ccc(-c2ccc(OCc3ccccn3)cc2)cc1 1875290337 UKVHXGIQZKXPEI-UHFFFAOYSA-N 341.414 4.728 0 50 EJAA C[C@@H]1CCc2c(sc3ncn4c(C5CCCCC5)nnc4c23)C1 98626 OVQSTBBQVMKGFM-LLVKDONJSA-N 326.469 4.512 0 50 EJAA Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1C 309955 FQNKFLPVVOJMFN-UHFFFAOYSA-N 332.241 4.935 0 50 EJAA CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409014 YRALQONXSRXXRT-UHFFFAOYSA-N 338.194 4.596 0 50 EJAA COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 451869 LSUXTPHTNWLXGA-UHFFFAOYSA-N 348.402 4.700 0 50 EJAA COc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1OC 612727 PWUJOHHNYIRRQJ-UHFFFAOYSA-N 330.384 4.710 0 50 EJAA O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Br)o1 618421 NSCXCGIKVDJTPI-UHFFFAOYSA-N 349.995 4.706 0 50 EJAA CC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccccc1 2817709 ZLPFRXQXRCNBAU-NRFANRHFSA-N 333.431 4.850 0 50 EJAA O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1cccs1 4755670 FKRQLJPRWWQAEW-UHFFFAOYSA-N 325.437 4.855 0 50 EJAA c1ccc(Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)nc1 5345848 CHXICWCCFAEJDJ-UHFFFAOYSA-N 344.330 4.881 0 50 EJAA O=C(OCc1ccccc1)c1ccc2cc(Br)ccc2c1 16480303 SFPJCHHSVUCDIR-UHFFFAOYSA-N 341.204 4.959 0 50 EJAA c1ccc(OCCN(Cc2nc3ccccc3[nH]2)C2CCCCC2)cc1 19201953 YMYMZKUTECEJGV-UHFFFAOYSA-N 349.478 4.777 0 50 EJAA C[C@H]1CCc2nc(NC(=O)Nc3ccc(Cl)cc3F)sc2C1 20572239 AZNOAPGQUXPQLM-QMMMGPOBSA-N 339.823 4.704 0 50 EJAA Cc1ccc(-c2nnc([C@@H](C)OCc3ccc(Cl)cc3)o2)cc1 170604732 SWSBIBQXGLGEKW-CYBMUJFWSA-N 328.799 4.976 0 50 EJAA CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1Br 219375221 UPARQXYMCJEGIW-UHFFFAOYSA-N 349.316 4.842 0 50 EJAA CC(C)[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253607815 HSPBAJZIILLPKZ-DURAGMPWSA-N 330.512 4.761 0 50 EJAA C[C@H](Cc1ccsc1)NC(=O)N(Cc1ccccc1Cl)C1CC1 426411259 HBTCQMMVKQBPBG-CYBMUJFWSA-N 348.899 4.707 0 50 EJAA S=C(NCc1ccccc1)Nc1cccc(COc2ccccc2)c1 917599593 YSVQKJHTZWBUEU-UHFFFAOYSA-N 348.471 4.752 0 50 EJAA C[C@H](NC[C@@H]1CCCCO1)c1cc(F)ccc1Oc1cccc(F)c1 1776005046 YTYWBJUIVZZJEX-KSSFIOAISA-N 347.405 4.977 0 50 EJAA CCOc1ccccc1-c1cn([C@@H](C)c2ccccc2Cl)nn1 2325839681 BAKQZALHBWOQLR-ZDUSSCGKSA-N 327.815 4.607 0 50 EJAA O=C(CSc1nc2ccccc2o1)Nc1cccc2ccccc12 62238 CMUVZDSQFRSDNC-UHFFFAOYSA-N 334.400 4.712 0 50 EJAA CCOC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 266899 LPFNYZLGCZCARW-UHFFFAOYSA-N 339.416 4.664 0 50 EJAA O=c1c2ccccc2ncn1-c1ccc(Oc2ccc(Cl)cc2)cc1 303112 FXRPXEAMCNBNLW-UHFFFAOYSA-N 348.789 4.831 0 50 EJAA C[C@H](Sc1ccccc1)C(=O)Nc1cccc(Br)c1 444315 GBAFQBZAOWKKME-NSHDSACASA-N 336.254 4.568 0 50 EJAA COc1ccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 892040 GZSWIJBMAYHDME-UHFFFAOYSA-N 327.405 4.503 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2cccnc12 2820976 HGMJDSNZURGQRY-UHFFFAOYSA-N 347.201 4.559 0 50 EJAA CCCCNCCCOc1c(Cl)cc(C)cc1Br 3003285 PZJLRGYAIBAXHW-UHFFFAOYSA-N 334.685 4.570 0 50 EJAA O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1 14254989 XNDGXUNADDLORB-UHFFFAOYSA-N 342.656 4.509 0 50 EJAA CSc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 22078090 TYNSPCQSRXPYIG-RTWAWAEBSA-N 344.568 4.637 0 50 EJAA CC(C)(C)OC(=O)Oc1cc2ccccc2n1C(=O)OC(C)(C)C 95705254 WEQQFQSTEHLHCZ-UHFFFAOYSA-N 333.384 4.738 0 50 EJAA in-vitro CCC(C)(C)c1ccc(CSCc2c(CO)cnc(C)c2O)cc1 1875323101 WWZIMCWNWLGANO-UHFFFAOYSA-N 345.508 4.709 0 50 EJAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1F 38193 TWKANZPCIQXCJQ-UHFFFAOYSA-N 332.806 4.722 0 50 EJAA COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 443268 DVJJJUHTLZOGPL-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cl)c(Cl)c1 614946 HIOYTHOLEPWGBZ-UHFFFAOYSA-N 332.589 4.967 0 50 EJAA CC[C@@H](C)c1ccc(-c2csc(NC(=O)CCCC(=O)O)n2)cc1 1000882 AGILXBJREXFFKQ-GFCCVEGCSA-N 346.452 4.517 0 50 EJAA CCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 2765343 UZUGAVBODFOFNO-UHFFFAOYSA-N 338.432 4.851 0 50 EJAA O=C(Nc1cccc2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1 12406131 NYNTVMYIMMRZJD-IBGZPJMESA-N 347.414 4.650 0 50 EJAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3)c2C)c1 13331666 QRXWKDVJZRVSIK-UHFFFAOYSA-N 334.423 4.501 0 50 EJAA COc1ccc([C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 36620974 RBSIGGDHBDKHKB-ILYDUKKLSA-N 339.479 4.575 0 50 EJAA O=C(N[C@H](C1CCCC1)C(F)(F)F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 225390324 NRKWLAGZGDONED-IEZIYOHYSA-N 347.396 4.532 0 50 EJAA Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CC3=CCCCC3)cc2)n1 479784453 YWAVPZMZFLGEMO-KRWDZBQOSA-N 337.467 4.557 0 50 EJAA Clc1ccccc1-c1noc(-c2ccccc2Br)n1 296022 ZCHQEQBYZBCIAI-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA CCC(CC)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 457012 WNMDWWDVYZJSPH-UHFFFAOYSA-N 341.238 4.875 0 50 EJAA Cc1cc2n(n1)[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1-2 817691 PSRGKHDIYHLUEE-QGZVFWFLSA-N 329.325 4.850 0 50 EJAA Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 1052484 PYRXZJCGQWGTML-UHFFFAOYSA-N 343.789 4.534 0 50 EJAA CC(C)(C)c1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 2817649 DJPPXDBGOVVLNZ-SDNWHVSQSA-N 339.504 4.906 0 50 EJAA CC(=O)C1=C(C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4082194 WYOKDIKHIXWWOC-RVEDGADZSA-N 328.496 4.826 0 50 EJAA biogenic Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(C)c(Cl)c3)oc2c1 6811302 CNKSNPCCRAAWPE-UHFFFAOYSA-N 341.794 4.624 0 50 EJAA Cc1ccc2c(C)c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)oc2c1 91973958 HISPYUFZPKIOKV-LBPRGKRZSA-N 342.464 4.956 0 50 EJAA Cc1cc(F)ccc1NC(=O)N(Cc1cccnc1)C1CCCCC1 97805766 PXEWBLXQFFEQKX-UHFFFAOYSA-N 341.430 4.896 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CCC[C@H]2c2ccsc2)c1C 331526724 GRNFKSYLOVJRNU-LRDDRELGSA-N 332.473 4.593 0 50 EJAA C[C@H](C(=O)N1CCC[C@@H]1c1nc(C(C)(C)C)co1)c1cccs1 1776005670 FMIHEKABGMQSRH-QWHCGFSZSA-N 332.469 4.501 0 50 EJAA c1cn(CC[C@H]2CCCOC2)c(-c2ccc(OC3CCCC3)cc2)n1 1857696582 HYMJLBQVIYVHQZ-QGZVFWFLSA-N 340.467 4.688 0 50 EJAA Cc1ccc(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=N)cc1 178323 YBBRQBNEGMHXRA-OAQYLSRUSA-N 340.426 4.760 0 50 EJAA COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 196443 BGDGWTUNHQRPLG-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2ccccc2c1 437937 IJJNCTHIOZCUNP-UHFFFAOYSA-N 325.795 4.819 0 50 EJAA CC(C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 514151 CRZVJPJGYARLPB-UHFFFAOYSA-N 348.240 4.590 0 50 EJAA Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 1139829 RKNNVKROKYYUNZ-UHFFFAOYSA-N 329.443 4.947 0 50 EJAA Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 13710430 OXOULKXTYGDWIR-ZDUSSCGKSA-N 337.341 4.728 0 50 EJAA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)/C=C(/C)O)cc1 102278112 WOMYTDHDLVSICM-DWSXVZCQSA-N 348.446 4.971 0 50 EJAA C[C@H](CCc1nccs1)N[C@H](C)c1cn(C)c2cc(Cl)ccc12 1875388201 QNBTZKLMYMWIHK-CHWSQXEVSA-N 347.915 4.960 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)sc2c1 63384 NSWIVPBSYOFHRV-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 448726 XNSAOZMXCSGRDM-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Cc1ccccc1COc1ccc2oc(-c3ccco3)cc(=O)c2c1 1978222 FGQZTQNXLHTNSS-UHFFFAOYSA-N 332.355 4.940 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1 2855856 OAPPDXPYLDMWAL-UHFFFAOYSA-N 340.467 4.882 0 50 EJAA S=C(NC1CCCCC1)c1cccc(OCc2ccccc2)c1 2883706 JHDMZRMACWCQJR-UHFFFAOYSA-N 325.477 4.863 0 50 EJAA CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 2888866 PUNBPXUXYAFWGX-UHFFFAOYSA-N 348.276 4.516 0 50 EJAA CC(C)NCc1cc(Br)ccc1OCc1ccccc1 4821209 IIIVMSZGSFSEHF-UHFFFAOYSA-N 334.257 4.526 0 50 EJAA CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 5013431 BYXLPFDEJWPCCB-UHFFFAOYSA-N 330.387 4.564 0 50 EJAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12167248 AORAYQMWUXTWIH-IAQYHMDHSA-N 349.883 4.534 0 50 EJAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H]1c1ccccc1F 21525420 XGGQEOGYBVRQEJ-OAHLLOKOSA-N 342.395 4.520 0 50 EJAA C[C@H](CCN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1)c1ccccc1 22587904 GPUZEMUACDCDIM-PTUXOGIPSA-N 340.555 4.909 0 50 EJAA O=C(Nc1ccc2[nH]ccc2c1)c1cc(-n2cccc2)ccc1Cl 32102786 AQNZDVNYCLOJCV-UHFFFAOYSA-N 335.794 4.864 0 50 EJAA Cc1ccc(-c2cc(O)c3c(c2)CN(C2CCCC2)CCO3)s1 67692506 JBZZNBJPKFUGFU-UHFFFAOYSA-N 329.465 4.566 0 50 EJAA O=C1CCCN1c1cccc(N[C@H]2CCc3cc(Cl)ccc32)c1 240551406 GTLPUMCKBJPVOU-SFHVURJKSA-N 326.827 4.566 0 50 EJAA CC(C)c1cccc(C(C)C)c1NC(=S)N[C@H](C)c1csnn1 840864060 SBYFNCCCPDXKJD-GFCCVEGCSA-N 348.541 4.833 0 50 EJAA Cc1ccccc1C[C@@H](NC[C@@H](CCO)CC(C)C)c1ccco1 2325841062 BSYGFILJLZDAJE-AZUAARDMSA-N 329.484 4.506 0 50 EJAA CN(C(=O)C1CC(c2ccc(F)cc2)C1)c1nccc2ccccc12 2325864347 MUCREBHKNBZKCD-UHFFFAOYSA-N 334.394 4.531 0 50 EJAA Cc1c(Cl)cccc1NC(=S)NCCc1c[nH]c2ccccc12 84663 YKBUQLFCFXMGFM-UHFFFAOYSA-N 343.883 4.659 0 50 EJAA Cc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)O)cc1 98587 UZPMFLMXOOMEAG-UHFFFAOYSA-N 337.400 4.674 0 50 EJAA COc1ccc(O)c(C2=Nc3ccccc3N=C(C(F)(F)F)C2)c1 185462 VJCBKRAQOVXTHI-UHFFFAOYSA-N 334.297 4.560 0 50 EJAA CC(C)Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 310116 DZWQAVVCNOXABL-UHFFFAOYSA-N 347.245 4.891 0 50 EJAA CCc1c(C)c2ccc(OCc3ccc(OC)cc3)c(C)c2oc1=O 488960 UQDWOGHNUCBSAY-UHFFFAOYSA-N 338.403 4.560 0 50 EJAA biogenic CCOc1ccccc1NC(=S)Nc1ccc(N(CC)CC)cc1 611463 VLLBDBCVZUMYPX-UHFFFAOYSA-N 343.496 4.740 0 50 EJAA Fc1ccc(NC2CCN(CCc3ccccc3)CC2)cc1Cl 757584 CRHHGCIMHLRNLU-UHFFFAOYSA-N 332.850 4.598 0 50 EJAA C=Cc1ccc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 1797613 MEJTWPGJZBNVIK-UHFFFAOYSA-N 332.399 4.894 0 50 EJAA Cc1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)on2)cc1 5540880 LUTXNXZKTIBMTJ-UHFFFAOYSA-N 327.767 4.660 0 50 EJAA CC(C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12246251 MCILGKIXFGOKMZ-QGZVFWFLSA-N 347.462 4.592 0 50 EJAA Cc1cc(C)n(-c2nc(-c3ccccc3)c3ccc(Cl)cc3n2)n1 170619421 DXXJHTAYGHXEDK-UHFFFAOYSA-N 334.810 4.753 0 50 EJAA FC1(F)CCN(C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 216321764 HFKJHTDZXTVCFI-LJQANCHMSA-N 327.418 4.724 0 50 EJAA CC[C@@H]1c2ccccc2CN1C(=O)Nc1cc(OC)cc(OC)c1C 931289357 DIHZOFJKYJDKMD-GOSISDBHSA-N 340.423 4.511 0 50 EJAA Cc1cc(N[C@@H](C)c2ccc(C(F)F)nc2)ccc1N1CCCC1=O 1261602435 UFPBZGFCBRIPNQ-ZDUSSCGKSA-N 345.393 4.628 0 50 EJAA Cc1ccc(Nc2ncnc3ccc(Br)cc23)cc1C 140108 UADFNUOWWWDCHR-UHFFFAOYSA-N 328.213 4.753 0 50 EJAA COc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 182619 NLAVIZJOVOBMOI-UHFFFAOYSA-N 331.371 4.572 0 50 EJAA CC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3C)n2)s1 209875 PFYDDCPPENGVGJ-UHFFFAOYSA-N 344.465 4.585 0 50 EJAA Cc1c(C(=O)Nc2ccc(OC(F)F)cc2)oc2ccc(F)cc12 387711 VAGQCYHJSQYMAP-UHFFFAOYSA-N 335.281 4.734 0 50 EJAA Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccccc2)cc1 390667 QUCSSVBORXMGFB-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA COc1cc(SC)ccc1C(=O)Nc1cc(Cl)ccc1Cl 449706 NFRJMGAZQNNDBW-UHFFFAOYSA-N 342.247 4.976 0 50 EJAA Cc1ccc(C)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 453823 GSKNNWJDTSPSSZ-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA C[C@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 472141 UKYHTWPFVILLSJ-INIZCTEOSA-N 345.398 4.857 0 50 EJAA COc1ccccc1C(=O)Oc1ccc2c(c1)[C@@H](C)CC(C)(C)N2 537029 NSUHOGVXTFHISN-ZDUSSCGKSA-N 325.408 4.612 0 50 EJAA C[C@@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)C[C@@H](C)O1 614161 OYAYKHLEMQYGQU-ZIAGYGMSSA-N 340.448 4.519 0 50 EJAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 5916757 CIICASJFVKLQIU-CYBMUJFWSA-N 348.556 4.934 0 50 EJAA CCOC(=O)c1nc(Nc2ccc(C)c(Cl)c2)c2ccccc2n1 106426 OVKMVKYKSDACOD-UHFFFAOYSA-N 341.798 4.512 0 50 EJAA COc1ccc(CCCC(=O)Nc2cccc(Cl)c2C)cc1C 458931 IAHWVUFNGMDMKJ-UHFFFAOYSA-N 331.843 4.927 0 50 EJAA C[C@@H](CCc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1178356 BYJOSKJCYBWBJF-IBGZPJMESA-N 343.470 4.956 0 50 EJAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc2ccccc2[nH]1 12384887 BCPPWLRDMJKZJD-KEYYUXOJSA-N 346.496 4.659 0 50 EJAA Cc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)o1 19319736 INIMHGQNVUTFGS-UHFFFAOYSA-N 346.474 4.995 0 50 EJAA C[C@H](Cc1ccc(OCCCc2ccccc2)c(Cl)c1)C(=O)O 43191090 AHHBRWBRRYTQRU-CQSZACIVSA-N 332.827 4.615 0 50 EJAA O=C(O)c1ccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)cc1 65403350 QPTAIEBKVCPOCQ-UHFFFAOYSA-N 344.370 4.557 0 50 EJAA COc1cccc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)c1 77425810 UGKWCFWNBZPQBH-OAQYLSRUSA-N 346.430 4.611 0 50 EJAA Cc1nc(Cl)cc(Oc2ccc(-n3ncc4ccccc43)cc2)n1 782969354 OMIUHCXGKALMOT-UHFFFAOYSA-N 336.782 4.570 0 50 EJAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1nc(-c2ccccc2)cs1 1293872502 AAGUMAGFSDKEMA-HFTRVMKXSA-N 340.492 4.532 0 50 EJAA CC[C@H](C)N(Cc1ccsc1)C(=O)CCC(=O)c1ccccc1 1506419201 WRQPKNXOWOKRMY-HNNXBMFYSA-N 329.465 4.538 0 50 EJAA Cc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1 1776003945 GHJQHQPPMMGIOW-UHFFFAOYSA-N 331.824 4.602 0 50 EJAA CN(C)c1cccc(Nc2ccc(-c3cccc(F)c3F)cn2)c1 2356137659 ULXJRENJHUHMIU-UHFFFAOYSA-N 325.362 4.836 0 50 EJAA O[C@@H](COC[C@@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21 36215 JCAQBGZQFFLPRA-QZTJIDSGSA-N 335.447 4.528 0 50 EJAA CCc1oc2cc(OC)c(C)cc2c(=O)c1Oc1ccc(F)cc1 86768 FKNDQLOHVLVZKF-UHFFFAOYSA-N 328.339 4.604 0 50 EJAA O=C(Nc1ccc(N2CCCCC2)cc1)Nc1cccc(Cl)c1 153860 MIWAWRLIUPCTEO-UHFFFAOYSA-N 329.831 4.974 0 50 EJAA Cc1ccc(C)c(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)c1 300007 IHSYBBBLIDKPTI-UHFFFAOYSA-N 341.418 4.690 0 50 EJAA O=C1OC(c2ccccc2)=NC1=C1C(c2ccccc2)=C1c1ccccc1 315975 MOWHZQRQCISIBQ-UHFFFAOYSA-N 349.389 4.869 0 50 EJAA COc1ccc(C)cc1NC(=O)Oc1cccc(Cl)c1Cl 397840 BAVQQQQYFJVASG-UHFFFAOYSA-N 326.179 4.921 0 50 EJAA CCOc1cc(CN2CCCC2)ccc1Oc1nccc2occc12 67784425 LSZAZCJFMSUTOW-UHFFFAOYSA-N 338.407 4.615 0 50 EJAA Cc1ccc(CN(Cc2ccncc2)Cc2nc3ccccc3[nH]2)s1 67850840 GIHCRDSMPSAGLH-UHFFFAOYSA-N 348.475 4.530 0 50 EJAA CC(C)(O)CCc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1 72468093 VXXUPXXHBHFBLP-UHFFFAOYSA-N 343.511 4.575 0 50 EJAA O=C(c1cccc2cnccc12)N1CCCC[C@H]1CCc1ccccc1 91933623 WBBOBSIZGVGIOL-FQEVSTJZSA-N 344.458 4.862 0 50 EJAA C[C@H](C1CCN(c2ccc3cc(Cl)ccc3n2)CC1)N1CCCC1 95382814 GYQOXWIFNSTIPR-OAHLLOKOSA-N 343.902 4.589 0 50 EJAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccsc1Cl 189321156 ZWSVYIOWYOXIDZ-CYBMUJFWSA-N 349.887 4.664 0 50 EJAA Cc1ncsc1CCC(=O)N[C@H](c1cccs1)C1CCCCC1 215509538 KSAOZBKTXNQCDH-SFHVURJKSA-N 348.537 4.883 0 50 EJAA CN(Cc1cc(C2CC2)on1)C(=O)c1ccccc1Oc1ccccc1 219200310 NAXFEEMSJSDFRY-UHFFFAOYSA-N 348.402 4.617 0 50 EJAA Fc1ccc(Cn2c(C3=CS[CH]N3)nc3ccccc32)c(Cl)c1 225349504 VRQVBVLRNOUNMG-UHFFFAOYSA-N 344.822 4.631 0 50 EJAA C[C@H](c1cccc(-c2cc(F)c3[nH]c(=N)sc3c2)c1)N1CCCC1 426421137 LHNLODNOTIRINA-GFCCVEGCSA-N 341.455 4.672 0 50 EJAA CCCCc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1 2366835 HWJISTMCCXOCBO-UHFFFAOYSA-N 329.494 4.925 0 50 EJAA COc1cc2c(cc1CC=C(C)C)C(=O)C[C@H](c1ccc(O)cc1)O2 4348671 VOCGSQHKPZSIKB-HXUWFJFHSA-N 338.403 4.616 0 50 EJAA biogenic,in-vitro Clc1ccc(COc2ccccc2CNCc2ccccn2)cc1 6701321 AYPTWCHUPZCUEE-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA COc1ccc(-c2ccnc3c(-c4ccc(F)cc4)c(C)nn23)cc1 72115479 FGWHMMOCMLEZFI-UHFFFAOYSA-N 333.366 4.519 0 50 EJAA COC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 96141800 MBLZPTLPNCCNME-IBGZPJMESA-N 342.414 4.526 0 50 EJAA Cc1ccoc1CN(C)c1oc(-c2ccccc2)nc1C(F)(F)F 1163384044 SJFUXQNUCRMNOY-UHFFFAOYSA-N 336.313 4.898 0 50 EJAA Cc1cc(Cl)cc2[nH]c(C(=O)N3Cc4cc(F)c(F)cc4C3)cc12 1875316804 HPSRUAVTVALOFS-UHFFFAOYSA-N 346.764 4.564 0 50 EJAA FC1(F)CO[C@H]1c1ccc(-c2ccc3c(c2)ncn3C2CC2)cc1 1875408060 NPJCGGKMJGFALV-SFHVURJKSA-N 326.346 4.745 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 390016 POAVWGFQHJCWLU-UHFFFAOYSA-N 334.375 4.661 0 50 EJAA COc1c(C)cccc1C(=O)Nc1nc2ccc(Cl)cc2s1 467772 WACXEBFIQKIAFU-UHFFFAOYSA-N 332.812 4.519 0 50 EJAA COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=O)ccc2c1 619321 XXLBQGOQLUOIBS-UHFFFAOYSA-N 328.371 4.514 0 50 EJAA O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1411731 FHECOHNILLBWMY-UHFFFAOYSA-N 347.201 4.578 0 50 EJAA O=C(/C=C/c1ccc(F)cc1)NCCSCc1cccc(Cl)c1 2979464 OHXUZEDMEHVAQU-RMKNXTFCSA-N 349.858 4.542 0 50 EJAA O=C(Nc1ccccc1)c1cc(-c2cccnc2)nc2ccccc12 11692882 UPGHIKIDTQLIQZ-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA CN1CCC(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 71754990 HKSYNZXHNBXXDB-UHFFFAOYSA-N 340.492 4.508 0 50 EJAA CC1(C)C(C(=O)c2cn(CCC[C@@H](O)CF)c3ccccc23)C1(C)C 95705050 MDPXVRYUGDTVIS-CQSZACIVSA-N 345.458 4.617 0 50 EJAA in-vitro Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccccc2)cc1 390638 CZOWSGUFJCJRQF-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 619789 YQGHYKQSWMLODW-OAQYLSRUSA-N 349.405 4.995 0 50 EJAA Cc1cccc(COc2ccccc2C(=O)c2cnn(C(C)(C)C)c2)c1 1395263 RPQRGFBWCDUXMZ-UHFFFAOYSA-N 348.446 4.757 0 50 EJAA Cc1ccccc1-n1cc(CO)c(-c2ccc(Cl)cc2Cl)n1 2544752 CTZAHCCIXVXQFQ-UHFFFAOYSA-N 333.218 4.647 0 50 EJAA CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2Cl)C1 6119497 OZJGXGCEDOTXRY-SNVBAGLBSA-N 334.872 4.751 0 50 EJAA CC(C)CN(Cc1ccccn1)Cc1ccc([C@@H]2CCCCO2)o1 55133902 RJHSFFBHPAKFQP-IBGZPJMESA-N 328.456 4.574 0 50 EJAA CCC(CC)n1nc(C)cc1NC(=O)c1ccc([C@H]2CCCO2)s1 55211128 NGHCILXIPURJRL-CQSZACIVSA-N 347.484 4.718 0 50 EJAA Fc1ccc([C@H]2CCN2Cc2cnc(C3CCCCC3)nc2)cc1 216272670 JTKKEJFZZGYFCN-LJQANCHMSA-N 325.431 4.610 0 50 EJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@H](c4ccccc4)N23)cc1 230068434 NUTTVNZGHVOMQV-JNHLRNPSSA-N 340.426 4.622 0 50 EJAA CC(C)Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)no1 252494385 NUHJHZIQCNUDPQ-LJQANCHMSA-N 344.430 4.770 0 50 EJAA CCc1ccc2oc(C(=O)NCc3cc(F)ccc3C)c(C)c2c1 334163030 UTCNFDRDWPKYCP-UHFFFAOYSA-N 325.383 4.681 0 50 EJAA CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csc(C(C)C)n1 1337614432 QTUXWMSTMLHPLM-CQSZACIVSA-N 335.860 4.506 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1C 425663 CLEQAWSFYHSBGG-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA c1ccc(C(Sc2nnnn2-c2ccccc2)c2ccccc2)cc1 450629 SRSLYACKMJZJRT-UHFFFAOYSA-N 344.443 4.544 0 50 EJAA COC(=O)c1cc(C(C)(C)C)c(Br)cc1C(C)(C)C 2024079 GBKCIPHRUONGHV-UHFFFAOYSA-N 327.262 4.831 0 50 EJAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(C)c(C)s1 2115127 HTZICBKUHXCWKR-UHFFFAOYSA-N 338.860 4.519 0 50 EJAA Cc1ccc(S(=O)(=O)Oc2ccc(Nc3ccccc3)cc2)cc1 2883570 QTEVKKJQKFXJAP-UHFFFAOYSA-N 339.416 4.506 0 50 EJAA CCOc1cccc(OCCCOc2cccc(C(F)(F)F)c2)c1 2984300 AYVYQGPIHSUFSA-UHFFFAOYSA-N 340.341 4.952 0 50 EJAA CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 17027933 JDDFBTBGQXKWDE-UHFFFAOYSA-N 332.812 4.601 0 50 EJAA COc1ccc2ccccc2c1CN1CCCC[C@@H]1c1cccnc1 22023193 LANDPAARNHPNHM-OAQYLSRUSA-N 332.447 4.971 0 50 EJAA FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2cccnc2)C1 71663051 HVTLTIQKGUCHSF-INIZCTEOSA-N 348.412 4.945 0 50 EJAA Cc1ccc(C)c(-n2ncc(N[C@H](C)c3cn4c(n3)CCCC4)c2C)c1 813327012 BTQMVQPDLHWXOM-MRXNPFEDSA-N 349.482 4.503 0 50 EJAA FC(F)(F)c1ccc(CCCN2CCC[C@@H](c3cccnc3)C2)cc1 1460304815 SGVMPZJITMBZLA-GOSISDBHSA-N 348.412 4.913 0 50 EJAA C[C@@H]1C[C@@H](c2ccccc2)N(c2nccc(N(C)c3ccccc3)n2)C1 1875331939 GGIXPRMCZXPSSZ-XLIONFOSSA-N 344.462 4.832 0 50 EJAA Clc1ccccc1COc1cccc(CNCc2ccncc2)c1 360387 CGQHQBSDWVWMJQ-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 475870 DSGNFXOMQLBPAL-UHFFFAOYSA-N 328.626 4.619 0 50 EJAA Cc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1C 614776 DCQFZTCEOYAGTG-UHFFFAOYSA-N 337.847 4.968 0 50 EJAA Nc1c(-c2ccc(Cl)cc2)cnn1-c1cccc(C(F)(F)F)c1 2243978 QGOBJAPNBHULLY-UHFFFAOYSA-N 337.732 4.794 0 50 EJAA CCCCN(Cc1ccccc1)Cc1ccc(OC)c(C)c1OC 2893931 JKXUDHYACSIVQN-UHFFFAOYSA-N 327.468 4.815 0 50 EJAA O=C(NC1c2ccccc2Oc2ccccc21)OCc1ccccc1 4492440 XYZQIJYIHSCWFW-UHFFFAOYSA-N 331.371 4.808 0 50 EJAA CCOc1ccc(/C=C/c2ccc3cccc(OC)c3n2)cc1OC 4998336 XIRLBQMXMMCBPK-DHZHZOJOSA-N 335.403 4.821 0 50 EJAA Cc1ccc2nc(CN3CCC[C@@H]3c3cc(C(C)C)on3)[nH]c2c1C 67908373 CSBIRWFZBNTTRU-QGZVFWFLSA-N 338.455 4.628 0 50 EJAA c1coc([C@@H]2CCCCCN2Cc2c[nH]c(CC3CCCC3)n2)c1 72473043 XAZCXBAYVMKELN-SFHVURJKSA-N 327.472 4.853 0 50 EJAA CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)no1 252494384 NUHJHZIQCNUDPQ-IBGZPJMESA-N 344.430 4.770 0 50 EJAA Cc1ccc(Cl)cc1C(=O)N1c2ccccc2N(C)CC[C@H]1C 1353813586 RZRBCSJPERSSKI-CQSZACIVSA-N 328.843 4.524 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(F)c(C(F)(F)F)c1)C2 1704300482 WODIHOPLEABDEB-IAGOWNOFSA-N 345.380 4.626 0 50 EJAA Cc1nc2nccnc2cc1-c1cccc(CN(C)c2ccccc2)c1 1875347782 XDHHZOSGHYHQPT-UHFFFAOYSA-N 340.430 4.637 0 50 EJAA CCc1ccc(-c2cc(C(=O)NC(C)(C)C)c3ccccc3n2)cc1 68334 ZANZQLODHBMRTK-UHFFFAOYSA-N 332.447 4.993 0 50 EJAA Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 134216 QUKUFDCQWUMGLI-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA O=C(CSc1nc2cc(Cl)ccc2s1)OCc1ccccc1 312627 IPRPSOFAINYPRI-UHFFFAOYSA-N 349.864 4.785 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2cc(C)ccc2C(C)C)cc1 399751 QUHBZXKKVYSIIA-UHFFFAOYSA-N 341.407 4.906 0 50 EJAA Cc1cccc2c(C(=O)O)cc(-c3ccccc3Br)nc12 2754933 DXQJENHFYDFKHT-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA CCCCOc1cccc(OCCCC)c1C(=O)NCc1ccco1 2816797 HJGIXPIDILDOEB-UHFFFAOYSA-N 345.439 4.567 0 50 EJAA O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1cccc(Cl)c1 9411572 OAXRRZQREYVHQW-MDZDMXLPSA-N 341.823 4.614 0 50 EJAA Cc1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)C[C@@H](C)O2 11999134 MCYWHAOSORFGJI-GOSISDBHSA-N 337.463 4.518 0 50 EJAA CN(C(=O)c1cccc(NCc2cccs2)c1)C(C1CC1)C1CC1 55393338 NMFXNGBWZRSWJW-UHFFFAOYSA-N 340.492 4.621 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 130110065 XTNHJZHVJURGLA-ZBEGNZNMSA-N 343.402 4.615 0 50 EJAA CC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1cccs1 190381729 VVRUGYJCYGCLIG-TZMCWYRMSA-N 335.498 4.511 0 50 EJAA CN(Cc1cocn1)[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl 225465293 VKJSJKSBKLQBGR-KRWDZBQOSA-N 348.233 4.598 0 50 EJAA COc1cccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2)c1 1352910725 KYJHZQWSZPZLJA-INIZCTEOSA-N 331.415 4.853 0 50 EJAA CCCCSCc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)oc1C 1506424985 ALZNJFZWPTYVRV-AWEZNQCLSA-N 346.496 4.850 0 50 EJAA C[C@H](NCc1ccsc1)c1ccc(-n2cnc3ccccc32)cc1 2325722324 USWCKYNAWODRRT-HNNXBMFYSA-N 333.460 4.938 0 50 EJAA CC(C)Cc1ccc([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 75114 RQALFBAYWUEKQO-KRWDZBQOSA-N 348.490 4.829 0 50 EJAA biogenic,in-vitro Cc1cccc(N2O[C@@](C)(N(O)c3cccc(C)c3)CC2(C)C)c1 103321 UIMJCFNSSCXJGT-HXUWFJFHSA-N 326.440 4.836 0 50 EJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccccc1F 175992 CQKKLCMEVVARNS-UHFFFAOYSA-N 348.333 4.592 0 50 EJAA biogenic CC(=O)c1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1 2862799 KEQWKPLFOVANEZ-UHFFFAOYSA-N 341.794 4.549 0 50 EJAA O=C(Nc1ccc(F)cc1)c1cccnc1-c1nc2ccccc2s1 5451884 JELANTPKQRAEJD-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CCCn1c(C)nnc1SCc1csc(-c2ccc(C)cc2)n1 6400332 DOWCZORXJJMHBQ-UHFFFAOYSA-N 344.509 4.721 0 50 EJAA CC(C)(C)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)no1 12381573 YFHRQQGRACTWQD-UHFFFAOYSA-N 334.419 4.743 0 50 EJAA Cc1cccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)c1 15839818 PBVOATFKRWVGKI-OAQYLSRUSA-N 330.431 4.526 0 50 EJAA CN(c1ccccc1)c1ncc2c(Cl)cc(C(F)(F)F)cn12 263639971 QNJCZRRRQHAJEE-UHFFFAOYSA-N 325.721 4.774 0 50 EJAA Cc1ccccc1C(=O)Oc1ccc(Cl)cc1Br 359029 ZVKONQGAWDTWFA-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA CC(C)c1ccccc1NC(=S)NC(=O)c1ccccc1Cl 359495 MSHPTBHTTHYHJQ-UHFFFAOYSA-N 332.856 4.590 0 50 EJAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C)(C)C 474159 YDTUHKRPGJLLSF-UHFFFAOYSA-N 349.427 4.716 0 50 EJAA CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccc(C)cc1 572763 BBPDCTVCBQYXKN-UHFFFAOYSA-N 340.400 4.606 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)Nc2ccccc2C(=O)OC)cc1 611694 JSXYEMIWMXPUEE-ZDUSSCGKSA-N 342.464 4.796 0 50 EJAA Cc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)cc1 1480007 DPPJRDIDGHNQFK-UHFFFAOYSA-N 338.461 4.702 0 50 EJAA CCC(CC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(C)c1 2835186 GFQQOVQZTSCBLL-UHFFFAOYSA-N 330.453 4.684 0 50 EJAA Cc1cc(Cl)ccc1OCCCC(=O)NCCC1=CCCCC1 2951019 YNLIMZYSPZMMMG-UHFFFAOYSA-N 335.875 4.814 0 50 EJAA COc1cc(C)ccc1OCCOCCOc1cccc(C(C)C)c1 2987031 VRSLAUHCJJHAMJ-UHFFFAOYSA-N 344.451 4.601 0 50 EJAA CC[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 4520042 QQHOZSUTJNAMJZ-JTQLQIEISA-N 336.844 4.638 0 50 EJAA COc1ccc(Cl)cc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 4911603 DGLNIYHTMUWARP-INIZCTEOSA-N 337.806 4.976 0 50 EJAA Cc1ccc(-c2nnc(SCc3ccccc3F)n2C)cc1Cl 5065600 CVTCSMVIZSSTNS-UHFFFAOYSA-N 347.846 4.875 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccccc3)C2)c1 19220784 MJCOHUNHULTAFH-FQEVSTJZSA-N 331.463 4.765 0 50 EJAA Fc1cc(Cl)cc(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 77376070 FYZOFHUHPKDUPN-QGZVFWFLSA-N 347.796 4.832 0 50 EJAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@H]1c1ccc(F)cc1 77521562 SKKQJZGMBYOTHC-FQEVSTJZSA-N 349.409 4.583 0 50 EJAA COc1cccc([C@H]2CCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c1 91892990 HPMCFJSDHNFOTH-GOSISDBHSA-N 348.446 4.689 0 50 EJAA C[C@]1(c2ccccc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 240244238 DLDCBSFVQPITLF-QFIPXVFZSA-N 338.414 4.759 0 50 EJAA O=C(C[C@H](c1ccccc1)n1cccc1)Nc1cccc2cccnc12 253410700 NPMAHQWXSDDPAY-HXUWFJFHSA-N 341.414 4.655 0 50 EJAA Cc1ccc(-c2cccc(CN3CCC[C@H](Cn4ccnc4C)C3)c2)o1 825197874 UMYJQXMIQYMYHY-FQEVSTJZSA-N 349.478 4.672 0 50 EJAA Cc1cc(NC(=O)/C=C/c2ccccc2F)ccc1Oc1cccnc1 919996164 SEYWENSOIRDPCR-DHZHZOJOSA-N 348.377 4.973 0 50 EJAA Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1F 1506417480 JXVHTDKQVMFFKD-QGZVFWFLSA-N 343.417 4.901 0 50 EJAA CCc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 38628 DVDHQUZKWYEEAU-LLVKDONJSA-N 339.218 4.929 0 50 EJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1 95809 RRZJEJDYSVNOLJ-UHFFFAOYSA-N 330.746 4.695 0 50 EJAA CCOc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 116562 ADGOVQJXLINVSI-UHFFFAOYSA-N 347.414 4.770 0 50 EJAA Cc1cnc(NC(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)s1 13331704 SQWXYJBMKDAQLC-UHFFFAOYSA-N 345.251 4.554 0 50 EJAA Cc1c(CN2CC[C@@](O)(C3CCC3)[C@H](C)C2)[nH]c2c(Cl)cccc12 91547032 ZNVNRWXYQWKOIK-XCLFUZPHSA-N 346.902 4.503 0 50 EJAA COc1ccc(-c2ccncc2)cc1-c1nc2cc(C)ccc2n1C 478189097 XXIYVPRCJNXPSE-UHFFFAOYSA-N 329.403 4.619 0 50 EJAA CC(C)[C@H](C(=O)Nc1ccccc1CN1CCCC1)c1ccccc1 820709827 XBHQELLRPBKDRW-NRFANRHFSA-N 336.479 4.661 0 50 EJAA COc1cccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 149551 NFPCXKJPZZRXNZ-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA Cc1cc(NC(=O)C[C@H](C)c2ccccc2)ccc1Br 319063 WDMBBPINCCDKKB-LBPRGKRZSA-N 332.241 4.890 0 50 EJAA Cc1cccc(Br)c1N(C)C(=O)[C@H](C)c1ccccc1 399328 KASXPQDFIOWKML-CYBMUJFWSA-N 332.241 4.524 0 50 EJAA Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)oc2c1 444574 XBJMWQMBFTVXPO-UHFFFAOYSA-N 342.398 4.984 0 50 EJAA O=C(CSCc1c(F)cccc1Cl)Nc1ccc(F)c(F)c1 2891202 BEMSVEBKGBQDBQ-UHFFFAOYSA-N 345.773 4.629 0 50 EJAA COc1cccc2c1OC(C)(C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5915136 NYSMUTYWDPMIMQ-MRXNPFEDSA-N 342.826 4.628 0 50 EJAA Cc1ccc(C)c(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12459813 VGTZBKOADUEPIH-INIZCTEOSA-N 337.442 4.787 0 50 EJAA CSc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1 12595913 WMZBWIORRJQFOR-OAHLLOKOSA-N 337.492 4.753 0 50 EJAA CSc1ccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 16972129 RZGPTDYBDHMGOG-KRWDZBQOSA-N 338.501 4.696 0 50 EJAA O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccc(F)cc2)on1 125799424 KQYMBYVOKHFVCS-UHFFFAOYSA-N 334.709 4.526 0 50 EJAA c1cncc(CCSc2nnc(-c3cccc4ccccc34)o2)c1 126941447 WTPWJBALNIOTSA-UHFFFAOYSA-N 333.416 4.620 0 50 EJAA C/C=C/[C@H]1OC[C@@]2(COC(=O)NCCCCC)[C@H](C)C=C(C)[C@H]1[C@H]2C 136658263 CSSJDGXKUUQMTC-WIVLCTJBSA-N 349.515 4.712 0 50 EJAA biogenic Cc1cc2c(cc1C)[C@@H](c1ccc(OC(F)(F)F)cc1)CC(=O)N2 89744 YQFPXBPNRMEFPL-CQSZACIVSA-N 335.325 4.676 0 50 EJAA Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 455247 NJEJVWICMMHKHR-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA c1ccc2c(CSc3nnc4c(n3)[nH]c3ccccc34)cccc2c1 474716 QVUXXCHZEHPECX-UHFFFAOYSA-N 342.427 4.952 0 50 EJAA CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O 1394523 CVEKVYYXCUMZNZ-RDJZCZTQSA-N 337.847 4.667 0 50 EJAA CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 6119479 LOSHUPVZPCIQLZ-SNVBAGLBSA-N 334.872 4.751 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 257345569 BQNVVPPVBZECMC-VBLUMELBSA-N 332.484 4.530 0 50 EJAA Cc1sc2ncnc(N[C@H](C)c3cccc(-n4cccn4)c3)c2c1C 467010808 MYAPAQAJUXKUFA-CYBMUJFWSA-N 349.463 4.667 0 50 EJAA Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Br 92353 QPPHQNQUJAJWPR-UHFFFAOYSA-N 348.240 4.839 0 50 EJAA Cc1cc(O[C@@H](C)C(=O)N2CCCc3ccccc32)cc(C)c1Cl 150825 QYFNCWNZUWRXKC-HNNXBMFYSA-N 343.854 4.704 0 50 EJAA Cc1ccccc1NC(=O)Nc1ccccc1C(=O)c1ccccc1 397770 XDOADYGUUGKYHC-UHFFFAOYSA-N 330.387 4.870 0 50 EJAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1cccs1 434863 BESPLYDEEFZYSR-UHFFFAOYSA-N 347.399 4.717 0 50 EJAA CCOc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 450116 BEJBLSKAJUAXTL-UHFFFAOYSA-N 335.856 4.611 0 50 EJAA CCOc1cc(C=O)cc(Cl)c1OCc1ccc(Cl)cc1 450610 HAMYAKCLICPDBS-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3F)ccc12 616445 IJZFRBNGKCKBLS-UHFFFAOYSA-N 344.357 4.911 0 50 EJAA CCn1ncc(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1 2780794 OPBDKXRIIOPCFT-UHFFFAOYSA-N 337.895 4.664 0 50 EJAA CC(C)(C)c1ccc(OC(=O)NC(C(F)(F)F)C(F)(F)F)cc1 3188909 CFNXYCHTWRHHRQ-UHFFFAOYSA-N 343.267 4.566 0 50 EJAA biogenic COc1cc(-c2ccc(C)cc2)cc2c1OCCN(CC(C)C)C2 14994159 RAGOODIWLMRWPZ-UHFFFAOYSA-N 325.452 4.521 0 50 EJAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H]1c1ccc(F)cc1 21525430 CQHPKOSIIPPLDH-OAHLLOKOSA-N 342.395 4.520 0 50 EJAA Clc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 185486967 JQUKSAXGOMEEME-OAHLLOKOSA-N 342.855 4.595 0 50 EJAA CC(C)(C)OC(=O)N1CCC(c2ccc(Br)s2)CC1 200490393 QVNIZQOHTHARMD-UHFFFAOYSA-N 346.290 4.625 0 50 EJAA C[C@H](NC[C@H](O)c1cccc2ccccc12)c1ccc(C(F)F)nc1 850517336 SDTPLFARLZJTQM-DJJJIMSYSA-N 342.389 4.557 0 50 EJAA COc1ccc(OC)c([C@H]2CC(=O)c3c(ccc4ccccc34)N2)c1 381205 NJKYRAHRUPTIEJ-GOSISDBHSA-N 333.387 4.597 0 50 EJAA O=C(Nc1nc2cccc(Cl)c2s1)Nc1cc(F)ccc1F 399414 MBRSHDSJTVLEHC-UHFFFAOYSA-N 339.754 4.872 0 50 EJAA CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 4917206 OHENZLJHZPKPKB-NTEUORMPSA-N 333.796 4.656 0 50 EJAA CC(=O)Nc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 8188318 VYFGQCSQQZMCBU-UHFFFAOYSA-N 335.407 4.660 0 50 EJAA CC(=O)Nc1cccc(OCc2nc(-c3sccc3C)oc2C)c1 67783921 KMBQVHZSKSUSLN-UHFFFAOYSA-N 342.420 4.557 0 50 EJAA COCCC[C@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl 95518514 QMBBXEIMMKKYQW-CYBMUJFWSA-N 342.842 4.601 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cccc(-c3ccccc3)c1)C2 1704340015 BSDBYEUHWBCWML-FYYLOGMGSA-N 349.474 4.775 0 50 EJAA O=C(CC1(c2ccccc2)CC1)N[C@H]1CC[C@H](Oc2ccccc2)CC1 1875305226 NCTXAGJRCPSWLZ-XUTJKUGGSA-N 349.474 4.615 0 50 EJAA O=C(Oc1ccc(-c2ccccc2)cc1Br)c1ccco1 149036 KYYMOTJUSLVZIO-UHFFFAOYSA-N 343.176 4.928 0 50 EJAA O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 271860 SYVRTETWKHUANU-UHFFFAOYSA-N 343.835 4.808 0 50 EJAA O=C(COc1ccc2ccccc2c1)Oc1ccc2ccccc2c1 358479 ZYFGUMIXRRLVKU-UHFFFAOYSA-N 328.367 4.977 0 50 EJAA COC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccccc2)cc1 1387168 UQOBFOZZJPNYNQ-UHFFFAOYSA-N 347.370 4.518 0 50 EJAA CCCCOc1ccccc1NC(=O)CCCOc1cccc(C)c1 1777483 UXMAXIMUPOMQOS-UHFFFAOYSA-N 341.451 4.972 0 50 EJAA CCCCCc1c(C)nc(Nc2cc(Cl)cc(Cl)c2)[nH]c1=O 2454383 ADQLOCWREZZOPK-UHFFFAOYSA-N 340.254 4.861 0 50 EJAA CCCCc1cc(=O)oc2c(C)c(OC(=O)c3cccs3)ccc12 2929727 SMBGBAAUYCWZHO-UHFFFAOYSA-N 342.416 4.725 0 50 EJAA COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(C)c1C 4983980 SQZXXPFSGNYAKF-UHFFFAOYSA-N 333.475 4.873 0 50 EJAA Clc1ccc(COc2ccccc2CNCc2ccncc2)cc1 6672002 PTULWTCPJCOXCV-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA COc1cccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1OC 23634014 ASOLMBUBWZDVQY-NRFANRHFSA-N 347.458 4.777 0 50 EJAA O=C(CNCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 54956563 BHQGHPSHSGEJMA-UHFFFAOYSA-N 340.426 4.625 0 50 EJAA Cc1nc(-c2c(-c3ccccc3)ncn2CCc2cccs2)c[nH]1 65396686 KMLHGZGYQTUDFH-UHFFFAOYSA-N 334.448 4.553 0 50 EJAA Cc1ccc(N[C@H](c2ccc(O)cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 223971610 MVCYMXFPPSIAHN-OSDILXSKSA-N 347.351 4.830 0 50 EJAA Cc1nc([C@@H](C)Nc2ccc(SCc3ccccc3)cn2)cn1C 241810052 SCSJJKSGFXLQPB-CQSZACIVSA-N 338.480 4.589 0 50 EJAA COCCC[C@H](C)C(=O)N1CCC[C@H]1c1cccc2ccccc12 272488671 HMBCUUUIGDPOFJ-JXFKEZNVSA-N 325.452 4.566 0 50 EJAA Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[N@]2Cc2ccccc2)cc1 1857795333 RLTHUIVLGQTWJM-FIXSFTCYSA-N 327.427 4.803 0 50 EJAA O=C(CSCc1c(Cl)ccc(Cl)c1Cl)N1CCCC1 1857800400 AKUFQIVNUPHQDD-UHFFFAOYSA-N 338.687 4.502 0 50 EJAA Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Cl)c(Cl)c1 91616 YGPNQBCIJMCYPU-UHFFFAOYSA-N 347.245 4.756 0 50 EJAA biogenic,in-vitro Cc1ccc(NC(=O)c2cc(Br)c(C)c(C)c2C)cc1 310042 BCZNIWOLDFQUEG-UHFFFAOYSA-N 332.241 4.935 0 50 EJAA c1ccc(-c2n[nH]c(-c3ccncc3)c2-c2nc3ccccc3[nH]2)cc1 312298 WTULYOVOZITKLI-UHFFFAOYSA-N 337.386 4.682 0 50 EJAA COc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1Cl 466792 MTYWLTQOYRAEKR-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA O=C(Cc1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 858989 NYKOQNUUHSBWQR-UHFFFAOYSA-N 328.843 4.512 0 50 EJAA Cc1scc(C(=O)NCc2ccccc2F)c1-c1ccccc1 1053624 CJKDWFKPQQXWSL-UHFFFAOYSA-N 325.408 4.793 0 50 EJAA Cc1ccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)c(C)c1 4483353 BPKAMJAJLMZUPL-UHFFFAOYSA-N 348.450 4.568 0 50 EJAA Cc1cc2c(cc1C)N(Cc1ccc(Cl)cc1)C1=NCCCN12 5043425 RYHDJWCZARFFAF-UHFFFAOYSA-N 325.843 4.543 0 50 EJAA O=C(COc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 5060064 SSDAUIWKLIUZDW-UHFFFAOYSA-N 345.236 4.590 0 50 EJAA O=C(CSc1ccccn1)Nc1ccc(/C=C/c2ccccc2)cc1 8450186 POXTZKWXZDYKFG-MDZDMXLPSA-N 346.455 4.983 0 50 EJAA Cc1cnc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)s1 17070545 LQYGUEXGYJGEOU-GFCCVEGCSA-N 334.510 4.916 0 50 EJAA COc1ccc(CNc2c(Cl)c(C)nc(C)c2Cl)cc1OC 39390034 HACINBGEWQKFRV-UHFFFAOYSA-N 341.238 4.635 0 50 EJAA CC[C@@H](c1ccncc1)n1ccnc1-c1c(F)ccc(Cl)c1F 71765278 MAIHZTMNKMUIIW-AWEZNQCLSA-N 333.769 4.876 0 50 EJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1F)N2 239433623 YEKIJPBPCQBBIK-GPQGAXSRSA-N 337.394 4.820 0 50 EJAA Cc1cc(C)c([C@@H](C)N2CC[C@@](CO)(Cc3ccccc3)C2)c(C)c1 1875345446 XXTOLZJPVSDCMC-NFBKMPQASA-N 337.507 4.600 0 50 EJAA O=C(O)c1ccccc1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1 45151 OJNMIJHBSNQYFG-ZHACJKMWSA-N 343.382 4.808 0 50 EJAA CC(C)COc1ccc2c(c1)Sc1ccccc1N2CCN(C)C 114615 BOVOUAFYVJJDTB-UHFFFAOYSA-N 342.508 4.886 0 50 EJAA COc1cc(OC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 363197 ZGABYCMJQDLFGU-UHFFFAOYSA-N 347.842 4.907 0 50 EJAA O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 454042 KFYIQDKDZVNIIE-UHFFFAOYSA-N 340.382 4.759 0 50 EJAA Cc1nc(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc1C 475133 XSICRZZBBFYYMF-VOTSOKGWSA-N 327.236 4.719 0 50 EJAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 2558482 CIICASJFVKLQIU-ZDUSSCGKSA-N 348.556 4.934 0 50 EJAA c1ccc(COc2ccc(OCCCN3CCCCC3)cc2)cc1 3460628 ZHTQDAFKFNIAEJ-UHFFFAOYSA-N 325.452 4.520 0 50 EJAA O=C(Oc1ccc(-c2nccc(-c3cccs3)n2)cc1)c1ccco1 4050272 MVIOKZLBZAKKDJ-UHFFFAOYSA-N 348.383 4.684 0 50 EJAA Cc1ccc(C)c(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 4746045 PJWFDRBTLVTOCW-UHFFFAOYSA-N 334.415 4.786 0 50 EJAA CCCn1cc(-c2ccnc(N[C@@H]3CCCc4ccccc43)n2)c(C)n1 48501544 PACGOLXCIHSHDO-LJQANCHMSA-N 347.466 4.548 0 50 EJAA Cc1nc(CSCc2nn(-c3ccccc3)c3c2CCC3)cs1 170621866 AUVQJESEYAKCIZ-UHFFFAOYSA-N 341.505 4.559 0 50 EJAA CCOC(=O)c1cc2cc(Cl)cc(OCc3ccccc3)c2[nH]1 253533024 IDZGSKPLTOECGC-UHFFFAOYSA-N 329.783 4.577 0 50 EJAA c1ccc2c3c([nH]c2c1)CN(Cc1ccc([C@H]2CCCCO2)o1)CC3 820408740 VECJRDDKYOQOBJ-HXUWFJFHSA-N 336.435 4.561 0 50 EJAA C[C@@H](N[C@H](c1ccncc1)C1CC1)c1ccc(-c2ccccc2)cn1 898320333 LFVYLAZPHLWMFE-ZHRRBRCNSA-N 329.447 4.946 0 50 EJAA O=C(CSCc1ccccc1Cl)NCc1ccccc1Cl 262825 VAKLEGCJUIFGLF-UHFFFAOYSA-N 340.275 4.543 0 50 EJAA CC[C@@]1(C)C[C@](CCNCc2ccco2)(c2ccccc2)CCO1 1809902 APRDXPRFHJTFDV-LEWJYISDSA-N 327.468 4.676 0 50 EJAA biogenic COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 2762385 SWQZLELVTXJASH-HNNXBMFYSA-N 341.451 4.707 0 50 EJAA COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c(C)c1 17071217 DAOSNZZCSFPWIK-UHFFFAOYSA-N 340.370 4.831 0 50 EJAA CC[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC1CCC(=O)CC1 55270214 GUMCMAPSUMTVEX-AWEZNQCLSA-N 335.875 4.617 0 50 EJAA CCCc1nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cs1 77487503 MEUJSFHKWGYTOU-INIZCTEOSA-N 332.444 4.602 0 50 EJAA O=C(c1cc(Cl)cc(Cl)c1)N1CCC(OC2CCCC2)CC1 195403135 QCXYYQOZDLMXHN-UHFFFAOYSA-N 342.266 4.557 0 50 EJAA O=C(O)CCCOc1ccccc1-c1ccc(C(F)(F)F)cc1F 2325827927 UPSQHDYYNOVMLK-UHFFFAOYSA-N 342.288 4.755 0 50 EJAA CCOc1c(CNc2nc3ccc(Cl)cc3s2)cccc1OC 360436 RAYCQQOJFRRBDS-UHFFFAOYSA-N 348.855 4.969 0 50 EJAA COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 451176 UKDXIGOJJYBTJU-UHFFFAOYSA-N 327.767 4.861 0 50 EJAA Cc1ccc2c(N)c(C(=O)Nc3ccc(C(C)(C)C)cc3)sc2n1 614487 MRMIERWHEZWJJN-UHFFFAOYSA-N 339.464 4.737 0 50 EJAA CCCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1 1778050 JYNLFXKWZPAISY-FMIVXFBMSA-N 338.432 4.737 0 50 EJAA COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(C(C)C)cc1 6571422 FJCMGRSRMUEHQM-UHFFFAOYSA-N 348.493 4.775 0 50 EJAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cccnc2)[C@@H]3CCC1 22078022 MEWAUIYPXIVJJJ-OAQYLSRUSA-N 331.463 4.628 0 50 EJAA O=C(NC1CCCCC1)c1ccc(Br)c2ccccc12 85477185 UIUZKTPSXVELHS-UHFFFAOYSA-N 332.241 4.665 0 50 EJAA C[C@@H](c1nnc(-c2ccccc2F)s1)N(C)Cc1ccc(F)cc1 170599930 LIWNQOBLTWPNOS-LBPRGKRZSA-N 345.418 4.676 0 50 EJAA O=C(O)[C@@H]1CCCc2sc(C=Cc3ccc(Cl)s3)nc21 1857530507 FVNALFMNRNHEBJ-SECBINFHSA-N 325.842 4.533 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 444309 UJZHLLIIMQFNSM-UHFFFAOYSA-N 333.231 4.977 0 50 EJAA OCc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 446121 OKPQTDUWEYAYBJ-UHFFFAOYSA-N 326.399 4.699 0 50 EJAA C/C=C/c1ccc(OCCCCN2C[C@@H](C)C[C@@H](C)C2)c(OC)c1 2825311 XJPDXOUEONEOAM-XZQDKNRNSA-N 331.500 4.865 0 50 EJAA CNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12 5048705 KBHLPRBBRMAJIW-UHFFFAOYSA-N 345.229 4.877 0 50 EJAA CCc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1 13329794 CTRRGPVPJIAVOQ-GFCCVEGCSA-N 332.241 4.503 0 50 EJAA Cc1cccc(-n2nc(-c3ccc(Cl)cc3Cl)cc2C(=O)O)c1 25763127 CRMANJSACRBXOJ-UHFFFAOYSA-N 347.201 4.853 0 50 EJAA FC1(F)CCCN(c2ccc(C(F)(F)F)c(Br)c2)C1 169725648 BKWRVFCRJDZNGO-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA C[C@H](c1cccnc1)N(C)C(=O)Oc1cc(Cl)cc(Cl)c1 170603722 FDURRFPEJXKPFB-SNVBAGLBSA-N 325.195 4.580 0 50 EJAA Cc1cccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccco2)c1 170618190 XUQNZPDJNHXCCD-QGZVFWFLSA-N 336.416 4.641 0 50 EJAA CO[C@H](C)c1cccc(NC(=O)Nc2cnn(C3CCCC3)c2C)c1 193526639 IYGCAOHGAUVXHD-CQSZACIVSA-N 342.443 4.658 0 50 EJAA CC(C)C[C@H](NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1cccs1 222254295 SIBXVZAITTWSIZ-YESZJQIVSA-N 337.529 4.793 0 50 EJAA CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(N)cc2)CC1 238856869 XMGCWNYNENGZEL-RHDGDCLCSA-N 342.870 4.721 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 257346140 SAOVUTZAPBDLOX-LLHFBMELSA-N 346.511 4.920 0 50 EJAA CCOc1ccc2ccccc2c1-c1c[nH]c(C(=O)N2CCCCC2)c1 426503584 QVMCFZHASHGADH-UHFFFAOYSA-N 348.446 4.860 0 50 EJAA CCC(=O)C[C@@H](Sc1cc(=O)oc2ccccc12)c1ccccc1 229997 WWNYVGXZPUBTRV-GOSISDBHSA-N 338.428 4.996 0 50 EJAA Cc1ccc(-c2csc(NC(=O)NC3CCCCC3)n2)c(C)c1 369579 HCRZLQFXTWWIOV-UHFFFAOYSA-N 329.469 4.881 0 50 EJAA CCCc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12 434916 KYUWKQQTCOGVMH-UHFFFAOYSA-N 328.795 4.978 0 50 EJAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 459841 QWXBFEHQBYPDMA-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA CCCCOc1ccccc1NC(=O)c1ccc(SC)cc1OC 2810381 UCAIDEUAIBKIJN-UHFFFAOYSA-N 345.464 4.848 0 50 EJAA Cc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)cc1 4802227 NKSWTNGCXBIWQF-FQEVSTJZSA-N 331.415 4.861 0 50 EJAA CCC[C@H]1C[C@@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O 6783520 AWWCQCQLZUISCS-UGSOOPFHSA-N 330.453 4.774 0 50 EJAA Fc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1Cl 17781530 UXHDQIRZKBKYOV-UHFFFAOYSA-N 346.818 4.678 0 50 EJAA Brc1cc(Br)cc(OCc2ccccc2)c1 34364266 CROMNVSVLZKBEF-UHFFFAOYSA-N 342.030 4.791 0 50 EJAA in-vitro COC(=O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12 41055021 NBCYWASVDNEYMJ-UHFFFAOYSA-N 346.308 4.784 0 50 EJAA CC[C@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91325926 QZILXEACQZFXAB-GOSISDBHSA-N 335.451 4.711 0 50 EJAA CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CC)c1cccc(F)c1 188461638 JDQVEGNYXMLJAD-SFHVURJKSA-N 326.415 4.688 0 50 EJAA CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 239434105 YZLBMKFWNDFUGQ-ULAMTYHHSA-N 346.474 4.733 0 50 EJAA C[C@@H](CN(C)C(=O)c1sccc1-n1cccc1)C1CCCCC1 1454623731 JUSFZFQIMSWGQL-HNNXBMFYSA-N 330.497 4.827 0 50 EJAA Cc1ccc2nc(NCc3ccc4c(c3)nc(C)n4C)cc(C)c2c1 1529114140 LTOFGQHDVCHXJW-UHFFFAOYSA-N 330.435 4.659 0 50 EJAA CC(=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 359023 KBYMHSJOPUGQTH-UHFFFAOYSA-N 330.792 4.977 0 50 EJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 453096 XCEIVIXFZHCMIZ-JTQLQIEISA-N 343.732 4.765 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)on1 815064 FXUBDNNCLWSOPU-UHFFFAOYSA-N 342.782 4.564 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 2997489 VVEUQVRWUKJUGG-UHFFFAOYSA-N 348.240 4.799 0 50 EJAA CC[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 4841010 YLCDSZQMMGVTLZ-CQSZACIVSA-N 335.407 4.697 0 50 EJAA CC(C)Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C(=O)O 4865587 LOHYQHHVIJAKCW-UHFFFAOYSA-N 337.828 4.551 0 50 EJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 8769632 LMKCCHDNYSCZPO-OAHLLOKOSA-N 338.436 4.724 0 50 EJAA CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@@H](C)C1 12656753 XIHJFMFAIYGPCL-WSWWRLHASA-N 347.543 4.933 0 50 EJAA biogenic O=C(c1c(F)cccc1F)N1CCC[C@H](CCc2ccc(F)cc2)C1 71748319 JMYRIVDFKAPUCF-OAHLLOKOSA-N 347.380 4.589 0 50 EJAA CCCc1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)cs1 92002576 NGDANPBULYGXSR-MRXNPFEDSA-N 332.444 4.602 0 50 EJAA Cc1[nH]c2ccc(CN[C@H](C)c3ccc(C(F)F)nc3)cc2c1C 657850910 YQGYTGJNHQKBEO-CYBMUJFWSA-N 329.394 4.968 0 50 EJAA Cc1csc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)n1 1875328703 IKBDNBRIBLNZTH-CQSZACIVSA-N 334.448 4.939 0 50 EJAA CC(C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 128648 KFVDHINKABMPKV-UHFFFAOYSA-N 337.341 4.846 0 50 EJAA CCc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 317716 IKLCHYZQALNBDF-UHFFFAOYSA-N 331.415 4.934 0 50 EJAA CC(C)OC(=O)Nc1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 1397049 GJBQEZPNMVLBMF-UHFFFAOYSA-N 341.194 4.509 0 50 EJAA CCCCOc1ccccc1NC(=O)c1cccc(Br)c1 1777617 MHWUSEOFSJCLDQ-UHFFFAOYSA-N 348.240 4.880 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1787737 NTWCTYUGGXCJDA-UHFFFAOYSA-N 346.814 4.941 0 50 EJAA c1ccc(-c2ccc(-c3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 2753614 CDPOZYFUBFMWAY-UHFFFAOYSA-N 342.354 4.799 0 50 EJAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 2839840 UQUIGKGZQGJTJX-UHFFFAOYSA-N 325.795 4.959 0 50 EJAA CCOc1ccc([C@@H](C)NC(=S)Nc2ccccc2OCC)cc1 2856992 SZUQBRDCFJBCHG-CQSZACIVSA-N 344.480 4.532 0 50 EJAA CCc1ccc(CN[C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)cc1 11880000 PCNOLOYBJADENA-MRXNPFEDSA-N 349.478 4.603 0 50 EJAA Clc1ccccc1-c1nc(-c2ccccc2Br)no1 16124261 QXTCOSGKUMUJDY-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA in-vitro COc1ccc2ccccc2c1-c1nc2c(cnn2[C@H](C)C2CC2)[nH]1 48261813 CWVIWKDFLBEDQF-GFCCVEGCSA-N 332.407 4.559 0 50 EJAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1ccc(CC(C)C)cc1 55326326 RNHDKCVEDSXSPG-HNNXBMFYSA-N 325.456 4.613 0 50 EJAA Fc1cccc([C@@H]2CCCCN2Cc2cnc(N3CCCC3)s2)c1 72422238 XBMLQRAVSLPABT-SFHVURJKSA-N 345.487 4.610 0 50 EJAA CC(C)c1cc([C@H]2CCCN2Cc2ccc(-c3ccn[nH]3)s2)no1 215137775 GBCABRRZHIGIHX-MRXNPFEDSA-N 342.468 4.587 0 50 EJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1F 95813 OSZIKUBBHMWXKK-UHFFFAOYSA-N 348.736 4.834 0 50 EJAA CCCc1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12 858614 BWYGKSCYWARZLB-UHFFFAOYSA-N 348.826 4.885 0 50 EJAA Cc1ccccc1COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1164923 JZBSHWJCXQUKJL-UHFFFAOYSA-N 340.806 4.823 0 50 EJAA CCOC(=O)Cc1c(Sc2ccccc2)c2cc(C)ccc2n1C 1170865 MXYLLFICHDNHPJ-UHFFFAOYSA-N 339.460 4.744 0 50 EJAA OC1=NC(=S)S/C1=C/c1cccc(OCc2ccccc2)c1 1199747 CPLDJHALZBPVNS-XNTDXEJSSA-N 327.430 4.595 0 50 EJAA Cc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)cc1 1773416 LCDHNNJJZLCNQF-UHFFFAOYSA-N 337.341 4.812 0 50 EJAA O=C(CSc1ccccn1)N(C1CCCCC1)C1CCCCC1 4747771 QNOFDTDSJGJELB-UHFFFAOYSA-N 332.513 4.668 0 50 EJAA CCCCOc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 6359804 PIZNNGJMVHDWDO-UHFFFAOYSA-N 339.464 4.943 0 50 EJAA COc1ccccc1-c1nc(CN(C)[C@H](C)c2cccs2)c(C)o1 11771069 OENNLJDGECPPDU-CYBMUJFWSA-N 342.464 4.913 0 50 EJAA Cc1ccc(Cn2c(S)nnc2-c2csc(C(C)C)c2)cc1 17067600 CKPIFXUSKVIUFE-UHFFFAOYSA-N 329.494 4.775 0 50 EJAA COc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccccc3)N12 229984427 ZYNSVKVRUBHSMG-GHOCLPIOSA-N 340.426 4.622 0 50 EJAA COc1ccc(NC(=O)N2CCc3c(cccc3C(C)C)C2)c(C)c1 242183934 XDCQGRDBOPJZKG-UHFFFAOYSA-N 338.451 4.717 0 50 EJAA Cc1c(CO)[nH]c2ccc(-c3cccc([C@@H](C)N4CCCC4)c3)cc12 426399424 ODCZZYMJVIAGQO-MRXNPFEDSA-N 334.463 4.792 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(F)c(F)c1F 822823333 GHWVDNSYWOVBKO-HNNXBMFYSA-N 336.357 4.502 0 50 EJAA CC(C)C1CCC([C@@](C)(O)CNCc2cc3ccc(F)cc3[nH]2)CC1 2325842372 WGHAPKVXRIQZPY-GRXDXKALSA-N 346.490 4.610 0 50 EJAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccs1 81176 WRPHEMPLWHCENI-UHFFFAOYSA-N 338.363 4.948 0 50 EJAA O=C(Nc1cccc(F)c1)c1cccc2c(Br)cccc12 310320 HOVZKHYGZWAEQB-UHFFFAOYSA-N 344.183 4.994 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C(C)(C)C 471588 XRJAYJHXZVRAQK-OAHLLOKOSA-N 345.870 4.935 0 50 EJAA CCCCOC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1770721 BWMULDVWQYUORZ-UHFFFAOYSA-N 331.799 4.920 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl 2864479 XUIAYRCNCMTYFE-UHFFFAOYSA-N 335.659 4.889 0 50 EJAA Brc1ccccc1OCCCCCCN1CCCCC1 2885639 QPZSPWDGPXYPLF-UHFFFAOYSA-N 340.305 4.874 0 50 EJAA C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1 4834392 NNTIHXDYGVQYTC-SNVBAGLBSA-N 338.632 4.594 0 50 EJAA COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 5065497 PADNEAKPYNRSDF-OAHLLOKOSA-N 341.451 4.707 0 50 EJAA O=C(Nc1cccnc1)c1cc(Cl)ccc1OCc1ccccc1 6697558 AAACBXVBBDAYRQ-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA CC(C)Oc1c(Cl)cccc1NC(=O)C12CC(C(F)(F)F)(C1)C2 170600701 CZAPBCWJXKXHRF-UHFFFAOYSA-N 347.764 4.798 0 50 EJAA Cc1c([C@H](NCc2cn(C(C)(C)C)nn2)C(C)C)oc2ccccc12 191013641 BXIKHVJVMAQDIY-GOSISDBHSA-N 340.471 4.575 0 50 EJAA CC1CCN(c2nc(-c3ccccc3)c3ccc(Cl)cc3n2)CC1 241776918 RTMZRTCXUKVHIT-UHFFFAOYSA-N 337.854 5.187 0 50 EJAA Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl 363047 HNDAINUPNTYJHV-UHFFFAOYSA-N 331.824 4.602 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)Nc2c(C)nn(CC)c2C)cc1 611376 YBUSMJYWHHCLPM-LBPRGKRZSA-N 330.501 4.842 0 50 EJAA O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 975828 JOAMJRPTKCIKJW-WUXMJOGZSA-N 340.187 4.577 0 50 EJAA CCCCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 1776406 ZTXQVKJUOIFKBH-UHFFFAOYSA-N 337.375 4.642 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1F 2774108 ILJDBPPYLKURCX-UHFFFAOYSA-N 330.746 4.695 0 50 EJAA CCCCc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 2841407 KRPLFVMVFYXJKX-UHFFFAOYSA-N 339.460 4.983 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Br 2883050 TZVSURSWUXNUDF-UHFFFAOYSA-N 342.595 4.802 0 50 EJAA CC(C)Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)o1 4622437 OPANOIKTFMMBBS-UHFFFAOYSA-N 334.419 4.716 0 50 EJAA Clc1ccc(Cl)c(-c2ccc(CNCc3ccncc3)o2)c1 16489189 LCVFGFADLMNWSU-UHFFFAOYSA-N 333.218 4.938 0 50 EJAA CC(=O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)s1 72159260 CATWGJUDQHTWSY-UHFFFAOYSA-N 348.431 4.501 0 50 EJAA Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 89221712 QHKYPYXTTXKZST-UHFFFAOYSA-N 331.350 4.650 0 50 EJAA in-vivo CCN(C(=O)Nc1ccc2sncc2c1)[C@@H](C)Cc1ccsc1 194299375 SDYBPXYZDNQQCO-LBPRGKRZSA-N 345.493 4.843 0 50 EJAA CCN(CCCCO)C(=O)c1cccc(-c2cc(C)ccc2Cl)c1 584892491 CYAYWRHCPWFKQJ-UHFFFAOYSA-N 345.870 4.550 0 50 EJAA COc1ccc([C@@H](C)N(C)Cc2cncn2C2CCCCC2)cc1 1529161640 NKRBFUQTLQZROE-MRXNPFEDSA-N 327.472 4.590 0 50 EJAA CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 129859 CNXOOQPMNGSQMH-CQSZACIVSA-N 331.843 4.925 0 50 EJAA CC(=O)c1cccc(Oc2nc(C)nc3sc4c(c23)CCCC4)c1 179143 IETLELWNOUNAAQ-UHFFFAOYSA-N 338.432 4.873 0 50 EJAA COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 432113 AEPJJSIKAPYQBL-UXHICEINSA-N 336.431 4.811 0 50 EJAA CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 2449970 IQSSVEQGXBETOX-UHFFFAOYSA-N 344.418 4.847 0 50 EJAA Clc1cc(Br)ccc1OCCCN1CCCCCC1 2839700 JVIGNNBEDWNENM-UHFFFAOYSA-N 346.696 4.747 0 50 EJAA CCCCc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 2875821 DZYXBHHANWVGSM-UHFFFAOYSA-N 335.494 4.552 0 50 EJAA Clc1ccc(CSc2nnc(-c3ccncc3)o2)cc1Cl 7595801 SZSIHYGUMBFYLL-UHFFFAOYSA-N 338.219 4.731 0 50 EJAA COc1ccccc1-c1cccc(-c2ccn(Cc3nccs3)n2)c1 19839838 AZKHZYQCZWYAGM-UHFFFAOYSA-N 347.443 4.731 0 50 EJAA FC1(F)CCN(c2cc(Br)ccc2C(F)(F)F)CC1 169725682 RDDYHYWRMWDXNC-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA c1ccc(-c2nccs2)c(OCc2csc([C@H]3CCCO3)n2)c1 183174769 ZDMMRXFHKCDALB-OAHLLOKOSA-N 344.461 4.697 0 50 EJAA O=C(C1CCC(F)(F)CC1)N(Cc1ccsc1)c1cccnc1 193521190 MGEKDIGWKUIQLY-UHFFFAOYSA-N 336.407 4.502 0 50 EJAA Cc1ccc(NCc2c(Cl)n[nH]c2C2CC2)cc1-c1ncco1 921911721 RYXYOYGJPAVTMQ-UHFFFAOYSA-N 328.803 4.516 0 50 EJAA Cc1ccc(C(F)(F)C(=O)N2CCC(c3ccsc3)CC2)cc1 1459163486 OTYVXIOUTLPULT-UHFFFAOYSA-N 335.419 4.555 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cn1 1875342802 HTBLQLFYHRQYJS-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CN(CCOCc1ccccc1)C(=O)CC1CCC2(CCCC2)CC1 1875343475 KPXIFNLHGXWZQM-UHFFFAOYSA-N 343.511 4.802 0 50 EJAA OC1CCC(N[C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 2325720043 HXDMWUWMEMYULD-GROLMSMHSA-N 328.283 4.523 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 442285 BDWNPLZBFWZEIE-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA CCN(CC)C(=O)C[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1 487474 PWCHJIKFPJKPKD-NRFANRHFSA-N 339.479 4.864 0 50 EJAA biogenic CCc1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cs1 2738077 VDSZCILXRPTDTA-UHFFFAOYSA-N 328.462 4.995 0 50 EJAA COc1ccc(CNCCc2c[nH]c3ccccc23)c2ccccc12 2750792 JYMGLWLMBGSVMH-UHFFFAOYSA-N 330.431 4.662 0 50 EJAA Cc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3)c(C)c2)cc1 2784223 KJKRULPTUDTWBT-UHFFFAOYSA-N 338.428 4.738 0 50 EJAA Cc1cc(C)c(OCCCN2CCC[C@H](C)C2)c(Br)c1 2822490 VAESAOPTTWVSLB-ZDUSSCGKSA-N 340.305 4.567 0 50 EJAA COc1cc2ccccc2cc1[C@](O)(c1ccccc1)c1ccncc1 4759953 GZPDPLBUKJNHQJ-QHCPKHFHSA-N 341.410 4.528 0 50 EJAA CCC[C@@H](NC(=O)c1c(CC)noc1C)C12CC3CC(CC(C3)C1)C2 6757525 JAKNXTFTAAJWBV-DIKOGFFKSA-N 344.499 4.660 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc([C@H](C)c3ccccc3)s2)cc1 9167734 KKYACYSDGDULDL-CYBMUJFWSA-N 338.436 4.642 0 50 EJAA CCCCc1nc(CN(C)Cc2cc3cc(F)ccc3[nH]2)c(Cl)[nH]1 952985379 GUWKLUSNQQABMH-UHFFFAOYSA-N 348.853 4.658 0 50 EJAA COc1ccc(C(=O)[C@@H](CN2CCCCCC2)c2ccccc2)cc1 346090 VDCMKHLWMWUXBT-NRFANRHFSA-N 337.463 4.538 0 50 EJAA Cc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccc2)cc1 1279412 ZAQBQKNSAJYYCM-LJQANCHMSA-N 349.459 4.913 0 50 EJAA O=C(Nc1ccc(Cl)cc1Cl)OCC(Cl)(Cl)Cl 2141459 GWUXDMAHPWNJMV-UHFFFAOYSA-N 337.417 4.912 0 50 EJAA C[C@H]1CN(CCCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 20167199 WCIOXRVBDMJIRY-HOTGVXAUSA-N 347.886 4.761 0 50 EJAA CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OCC)cc3)=NN12 25581859 FSVQBXUFAOCYLX-CTNGQTDRSA-N 336.435 4.755 0 50 EJAA CC(C)(C)OC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 38537176 PGCWCIPXTAAMTC-UHFFFAOYSA-N 340.139 4.815 0 50 EJAA O=C(Cc1ccccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 169773701 FRJGFIDRAWNURC-QGZVFWFLSA-N 338.838 4.558 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257346262 WKVMGWGAHCQQRX-WWKXXTLKSA-N 332.484 4.530 0 50 EJAA O=C(Cc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 263640023 TYZJXFWACLIVLR-UHFFFAOYSA-N 334.124 4.833 0 50 EJAA Cc1cc(Oc2ccc(OC3CCCC3)cc2)nc(-c2cccnc2)n1 1875257128 RBOUMFYOZPHNRI-UHFFFAOYSA-N 347.418 4.961 0 50 EJAA Cc1cccn2cc(-c3ccc(N[C@@H](C)c4ccns4)cc3)nc12 1875328966 VPCWLFRBUSJWMM-AWEZNQCLSA-N 334.448 4.939 0 50 EJAA Fc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1Cl 2325823985 KOJIOHPNIKKAOM-UHFFFAOYSA-N 340.210 4.817 0 50 EJAA COc1ccccc1OCCn1c(SC(C)C)nc2ccccc21 135293 NIZLALRQTVXIEB-UHFFFAOYSA-N 342.464 4.624 0 50 EJAA COc1ccccc1-c1nc2ccccc2nc1-c1ccccc1OC 260769 NVDKWWZFPXPNLF-UHFFFAOYSA-N 342.398 4.981 0 50 EJAA CCOc1cccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1 2526035 FLKIJAGIGMAFCI-UHFFFAOYSA-N 341.794 4.961 0 50 EJAA O=Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1 8699303 VNWRCUFWYFESLU-UHFFFAOYSA-N 331.371 4.915 0 50 EJAA Fc1ccccc1Oc1ncccc1CNc1ncccc1Cl 67850081 JXKBNCOFVCIYAM-UHFFFAOYSA-N 329.762 4.674 0 50 EJAA CC(C)Cc1cc(C(=O)N(Cc2ccsc2)C2CCCC2)on1 91985553 XSDPRJNJQADCEA-UHFFFAOYSA-N 332.469 4.520 0 50 EJAA Cc1ccccc1[C@@H](C(=O)Oc1ccc2cncnc2c1)C1CCCC1 1875342580 YLVGCVPFWIKYHE-NRFANRHFSA-N 346.430 4.818 0 50 EJAA CC1(C)CC(=O)c2c(SCc3ccccc3)sc(C(=O)O)c2C1 2080318035 WGZJQTWWMXYXGT-UHFFFAOYSA-N 346.473 4.894 0 50 EJAA CCOC(=O)N1CCCc2ccc(NC[C@H]3CCC[C@@H](F)C3)cc21 2325874591 SQBOJBZIWBHCQC-GOEBONIOSA-N 334.435 4.536 0 50 EJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCC1 371468 NINVIQQYGATCES-UHFFFAOYSA-N 343.448 4.721 0 50 EJAA CCCCN(CCCC)C(=O)Nc1ccc(Br)cc1 2167734 FDWFSZWAHPMZGK-UHFFFAOYSA-N 327.266 4.883 0 50 EJAA CC1=CC(C)(C)N=C(S)N1c1ccc(Br)c(C)c1 2490422 BAPUCPKIBXRSPP-UHFFFAOYSA-N 325.275 4.546 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)ccc12 2841838 OXEVUAZLZMBOKU-UHFFFAOYSA-N 344.357 4.993 0 50 EJAA CCO[P@](=O)(O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5861674 WBSRIXCTCFFHEF-UHFFFAOYSA-N 328.389 4.709 0 50 EJAA Fc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F 9041524 LBPYNNJXARHGAG-UHFFFAOYSA-N 334.329 4.714 0 50 EJAA Cc1cc(C)c(CN[C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1C 20783777 XWKIVFFXDMUBPM-KRWDZBQOSA-N 346.478 4.623 0 50 EJAA C[C@H](c1ccccn1)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 55071264 VNKWTQGGYKYBAL-ZNSMGHQKSA-N 326.484 4.598 0 50 EJAA FC(F)(F)c1cccc2c(-c3cccc4c3CCNC4)ccnc12 71760460 UVHMGFZSJXAJMB-UHFFFAOYSA-N 328.337 4.566 0 50 EJAA CC(C)Oc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 729945401 KWZHPAWVJAKGQO-UHFFFAOYSA-N 345.468 4.625 0 50 EJAA CC(C)C[C@H](CN[C@@H](c1ccccc1)C(C)(C)O)Cc1ccccc1 1875345496 ZETITNHTKQAYGL-UNMCSNQZSA-N 339.523 4.993 0 50 EJAA CC(C)c1ccc(-c2nc(-c3cc4c(nc3O)CCCC4)no2)cc1 1875354229 RRCMPRIRCAWNAZ-UHFFFAOYSA-N 335.407 4.506 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 121353 UQJJSYHIPJMPKW-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA COc1ccc([C@H](NC(=O)c2ccccc2C)c2ccccc2)cc1 618506 NASBPWOPQROGDF-OAQYLSRUSA-N 331.415 4.523 0 50 EJAA CCCCOc1ccccc1NC(=O)c1ccccc1Br 1777419 FGSYEWKLMDNDHR-UHFFFAOYSA-N 348.240 4.880 0 50 EJAA CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 2558440 LOSHUPVZPCIQLZ-JTQLQIEISA-N 334.872 4.751 0 50 EJAA Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc21 2740457 URFSQEGRSHYHFO-UHFFFAOYSA-N 335.304 4.671 0 50 EJAA Fc1ccc(OCCCOc2ccc(Cl)c3cccnc23)cc1 2863144 KLWYQYSHFCNCCT-UHFFFAOYSA-N 331.774 4.875 0 50 EJAA CC[C@H](C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 12404227 WMAXCSDJWCUQRQ-LBPRGKRZSA-N 345.830 4.512 0 50 EJAA Cc1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)o1 15075825 JZKQJSCEPOAFJT-UHFFFAOYSA-N 336.435 4.964 0 50 EJAA CCOc1ccc(NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 17071907 ZZVPROISVKWWSG-UHFFFAOYSA-N 344.480 4.897 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 33270601 VEGYTDQCHNERBJ-AWEZNQCLSA-N 333.819 4.568 0 50 EJAA Cc1ccc2nc([C@@H]3CCCN3Cc3cncn3C3CCCC3)[nH]c2c1 72150435 DCOHRZBYRRKVAP-FQEVSTJZSA-N 349.482 4.520 0 50 EJAA Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccco3)[nH]n2)cc1 97578451 YBEANHCNBLKQIL-LJQANCHMSA-N 349.434 4.736 0 50 EJAA CC(C)Cc1nc(C(=O)NC(C)(C)C2(c3ccccc3)CC2)cs1 2325828916 VNJOXSSPGDFLBU-UHFFFAOYSA-N 342.508 4.582 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)cc1 110515 KYWRLECSCXCTDD-UHFFFAOYSA-N 331.350 4.621 0 50 EJAA CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 314144 KPBNSPCOAACGPM-UHFFFAOYSA-N 338.451 4.831 0 50 EJAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2ncccc12 556404 ULAVDJUYJKTLAC-UHFFFAOYSA-N 347.201 4.803 0 50 EJAA O=C(NCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 2172965 SPDGVRUPZRZOGG-UHFFFAOYSA-N 328.721 4.681 0 50 EJAA O=C(c1ccc(COc2cccc3ccccc23)cc1)N1CCCC1 2750672 NTUXGYBAEZZFPM-UHFFFAOYSA-N 331.415 4.655 0 50 EJAA O=C(Nc1cccc(Cl)c1)[C@]1(c2ccccc2)CC1(Cl)Cl 2976788 OEIPBGWWNVVPDU-OAHLLOKOSA-N 340.637 4.794 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(C)c1 2987861 IMVDNKPZSNNHQI-UHFFFAOYSA-N 343.426 4.892 0 50 EJAA Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2cccc(C)c2C)c1 4900070 XOKDTKIPDLBBHC-NRFANRHFSA-N 343.430 4.778 0 50 EJAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 11814956 SYXFLAFOSAZFMP-AWEZNQCLSA-N 349.883 4.510 0 50 EJAA c1ccc(-c2cnnc(NC(c3ccccc3)c3ccccc3)n2)cc1 12204773 RVRFFWAYSBFDPX-UHFFFAOYSA-N 338.414 4.740 0 50 EJAA COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2cccs2)c1 15867129 SGNIWQJAHYJMHY-QGZVFWFLSA-N 344.480 4.584 0 50 EJAA Brc1cc2[nH]c3ccccc3c2cc1Br 146559825 IBWIWKZZWKIBNP-UHFFFAOYSA-N 325.003 4.846 0 50 EJAA C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1 153883809 NZRSXERJELVYRD-BLLLJJGKSA-N 349.356 4.715 0 50 EJAA COc1ccc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)cc1OC 182892725 SJIKMVYPAJCYBO-GFCCVEGCSA-N 338.407 4.896 0 50 EJAA Cc1cc([C@H](C)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)no1 225734945 XBEFWICBYROOJF-AVGNSLFASA-N 326.362 4.845 0 50 EJAA CC(C)c1ccoc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 240871391 IKEKOJUDNAACFQ-UHFFFAOYSA-N 347.321 4.643 0 50 EJAA Cc1nnc([C@H](C)N[C@@H](Cc2ccccc2)c2sccc2C)s1 242273595 YEGCRZSMWKBBTC-BBRMVZONSA-N 343.521 4.851 0 50 EJAA C=CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 1335288312 XRGYRVISGXYUKV-UHFFFAOYSA-N 334.238 4.725 0 50 EJAA Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)[C@@H]1C[C@H]1c1ccccc1 1875255131 BCFCDIWASUBZMD-CCKFTAQKSA-N 346.430 4.572 0 50 EJAA C[C@@H](Oc1ccc(-c2cc(-c3ccccc3)no2)cc1Cl)C(=O)O 2100557446 SQDNEHGZUKATEP-LLVKDONJSA-N 343.766 4.514 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1 116468 GZKIOEGCTTVCAF-GFCCVEGCSA-N 342.266 4.767 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 176015 JDFBNXDWHVHDLV-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA O=C(c1ccccc1)[C@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)O 1230312 DKWBQLNOCXTUPX-YSTOQKLRSA-N 338.447 4.877 0 50 EJAA Cc1nn2c(Nc3ccccc3)c3c(nc2c1-c1ccccc1)CCC3 2325831 NVDJCLWJLMKCIR-UHFFFAOYSA-N 340.430 4.937 0 50 EJAA aggregator Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(F)cc1 2827546 VXJZSXPWFYHNBI-UHFFFAOYSA-N 330.359 4.649 0 50 EJAA COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)c1Cl 4542764 ZANRRSGUKBDPSR-VQHVLOKHSA-N 336.218 4.962 0 50 EJAA Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 11990357 SKTFDNYNCRPXCA-YLJYHZDGSA-N 334.350 4.661 0 50 EJAA CCCOc1cc(NC2CCCCC2)c(N)cc1Br 95494817 SSDQQRKUQYURHB-UHFFFAOYSA-N 327.266 4.565 0 50 EJAA Cc1cc(F)ccc1-c1ccc(CNc2ccc([S@@](C)=O)cc2)o1 121569353 DVEUSNYNKYZHNG-DEOSSOPVSA-N 343.423 4.744 0 50 EJAA CC(C)(C)OC(=O)N1CCC(c2ccccc2Br)CC1 139831121 LRXFQBYMFQBMFB-UHFFFAOYSA-N 340.261 4.564 0 50 EJAA in-vitro CCCCCOc1cc(Br)cc(OC(F)(F)F)c1 261493825 KBWIWDNSXVAZCV-UHFFFAOYSA-N 327.140 4.917 0 50 EJAA CC(C)(C)C[C@@H](NCc1cccc(Cn2cccn2)c1)c1cccnc1 952991883 WVNDUCSZTSMVTK-OAQYLSRUSA-N 348.494 4.594 0 50 EJAA Cc1cccnc1[C@@H](C1CC1)n1ccnc1-c1cccc2ncccc12 1857681882 DADZNYFDTYDDFT-OAQYLSRUSA-N 340.430 4.801 0 50 EJAA COc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 117638 HXYQVWBUHXXPFR-KNTRCKAVSA-N 329.399 4.875 0 50 EJAA O=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCCC2)s1 149976 WEIWKHZSKLUSJH-UHFFFAOYSA-N 336.848 4.883 0 50 EJAA O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F 442942 BEAXERVXZFQULG-UHFFFAOYSA-N 345.320 4.876 0 50 EJAA CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl 443220 FEOUQCOBBMFIGY-MRXNPFEDSA-N 335.234 4.970 0 50 EJAA Cc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 2196907 HXWRRNFFOQYTFF-UHFFFAOYSA-N 335.432 4.991 0 50 EJAA CC[C@H](C)c1ccc(OCCOCCN2C[C@@H](C)C[C@@H](C)C2)cc1 2822755 SWQCGVOTNGYYTN-OTWHNJEPSA-N 333.516 4.573 0 50 EJAA O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCCC1 4778397 YDWRCUZDEWKZAS-UHFFFAOYSA-N 329.827 4.545 0 50 EJAA Clc1ccccc1COc1ccccc1CNCc1ccncc1 6671942 VDKDOBNLMMNJBO-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA COC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1 19863408 FJKVODVXKSNHMD-UHFFFAOYSA-N 341.769 4.995 0 50 EJAA CCCCOc1ccc([C@@H](C)N[C@@H](C)c2cc(C)on2)cc1OC 225735088 KKXLUBLJXBRZLL-CABCVRRESA-N 332.444 4.582 0 50 EJAA Cc1onc(-c2ccc(Oc3ccc(Cl)cc3)cc2)c1C(=O)O 328579112 RXBWWROPZMDSRU-UHFFFAOYSA-N 329.739 4.794 0 50 EJAA in-vitro O=C(c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)N1CCCCCC1 426509352 JLFOTTFABCNROX-UHFFFAOYSA-N 348.368 4.784 0 50 EJAA CC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 132316 JFJGRQQCHKGYSZ-LBPRGKRZSA-N 328.462 4.736 0 50 EJAA CCCCCSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 1788409 ZZDPYJLRBRBNMF-UHFFFAOYSA-N 338.476 4.976 0 50 EJAA CCCOc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 1904232 VISCSPJWYMFAPI-UHFFFAOYSA-N 344.461 4.913 0 50 EJAA Cc1ccc(C)c(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)c1 2867602 ZTMPYKGVXGVAPM-UHFFFAOYSA-N 330.431 4.755 0 50 EJAA Cc1ccc2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)[nH]c2c1 2884882 TZGYPQYSSRILKS-UHFFFAOYSA-N 345.185 4.952 0 50 EJAA Cc1cc(C)cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 3517695 CSMVYVSOPQNMCC-UHFFFAOYSA-N 348.402 4.709 0 50 EJAA O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(F)cc2)on1 3907640 CBZUKMAIRPHYRY-UHFFFAOYSA-N 334.709 4.526 0 50 EJAA Cc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 42995858 BBIRNDJBYQCHGR-LJQANCHMSA-N 349.453 4.904 0 50 EJAA Cc1ccccc1CN(C)N1C(=O)[C@H](c2ccccc2)c2ccccc21 44125063 CJYCKCJTJSRCGU-JOCHJYFZSA-N 342.442 4.521 0 50 EJAA C[C@@H](c1cccc(-c2nc3ccccc3cc2CO)c1)N1CCCC1 65462293 GQHAZQYGKMUGPM-INIZCTEOSA-N 332.447 4.551 0 50 EJAA c1ccc(-c2ncn(Cc3cccc4[nH]ccc34)c2[C@@H]2CCOC2)cc1 67491084 CUELVOUZLNTZAR-GOSISDBHSA-N 343.430 4.584 0 50 EJAA FC(F)Oc1ccc(COc2ccc(Br)cc2)cc1 86005588 HBWCYVXARHOQKC-UHFFFAOYSA-N 329.140 4.630 0 50 EJAA Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3C(F)(F)F)c2C)o1 192484494 UEVFJDJGZCLLRX-UHFFFAOYSA-N 349.312 4.558 0 50 EJAA CC(C)[C@H]1CN(Cc2cccc(O)c2Cl)C[C@@H](c2ccccc2)O1 1875248968 BCDKACOWLOAWSK-MOPGFXCFSA-N 345.870 4.644 0 50 EJAA CC(C)[C@@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)cc1 2325822045 ZHGLLBPSPKYPOA-VQTJNVASSA-N 325.427 4.759 0 50 EJAA CCc1cc2c(Nc3ccc(Br)cc3)ncnc2s1 572937 LGWTUKVNXMMNIP-UHFFFAOYSA-N 334.242 4.760 0 50 EJAA Cc1ccc2nc(-c3ccccc3Br)cc(C(=O)O)c2c1 2738107 JLFVPVNRJQBACU-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA CCCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 2816257 CAAHQAOMSLNZED-UHFFFAOYSA-N 344.505 4.956 0 50 EJAA CCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 2999813 IDXZEIDJNAMZIK-UHFFFAOYSA-N 333.815 4.780 0 50 EJAA CCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 3757135 OZUXCIVKCYOOSP-UHFFFAOYSA-N 327.767 4.652 0 50 EJAA O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 5073631 OZSBIYXDSAMBTI-NTEUORMPSA-N 333.771 4.720 0 50 EJAA CCC(=O)Nc1ccc(NC(=O)C/C=C/c2ccccc2)cc1Cl 55371387 FHHXAMUYLDORFB-RMKNXTFCSA-N 342.826 4.731 0 50 EJAA Cc1cc(CN[C@H]2CCCc3occc32)ccc1Oc1cccnc1 112371754 NVXXZOWFTLRMFU-IBGZPJMESA-N 334.419 4.943 0 50 EJAA CC1(C)C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 257358834 WSGNVOUHNLZNHQ-JPKSVAGLSA-N 330.512 4.905 0 50 EJAA Cc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n([C@@H](C)C2CC2)n1 1529126327 BXVHWUQTNBZOHX-AWEZNQCLSA-N 336.439 4.513 0 50 EJAA O=C(NC1CCCCCC1)c1ccccc1-c1nc2ccccc2[nH]1 146245 PDMRFWFTUOYQQP-UHFFFAOYSA-N 333.435 4.683 0 50 EJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F 1124356 QRHZTIHFMBQEDB-LBPRGKRZSA-N 333.378 4.668 0 50 EJAA O=C(Nc1ccc(F)cc1)c1ccc(COc2cccc(Cl)c2)o1 2760058 XEQRQPRXOFKNSN-UHFFFAOYSA-N 345.757 4.903 0 50 EJAA COc1ccccc1OCCCn1cc(C(=O)C2CC2)c2ccccc21 2846705 YFMVIUDWABJJCF-UHFFFAOYSA-N 349.430 4.712 0 50 EJAA CCCCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 3068026 GCXKNAGBKMUKEL-UHFFFAOYSA-N 345.398 4.819 0 50 EJAA Cc1cccc(N2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)c1 5019166 SOZCANJJKGECCC-WOJGMQOQSA-N 348.427 4.728 0 50 EJAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 12581632 MDZQBHJKGFYGTD-MRXNPFEDSA-N 339.460 4.898 0 50 EJAA O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1 38894381 MSMJUFPVLFLUKC-UHFFFAOYSA-N 344.819 4.545 0 50 EJAA COCCC[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1F 77524871 WQSZYPXIIBQCEI-HNNXBMFYSA-N 333.369 4.626 0 50 EJAA Fc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 95869914 FSYONYPQHIUIAB-UHFFFAOYSA-N 333.406 4.678 0 50 EJAA Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@H]1CCCC[C@H]1C 170623535 HEROVLSUZRABDQ-YPMHNXCESA-N 326.387 4.639 0 50 EJAA Cc1noc(-c2ccc(-c3ccc([C@@H](C)N4CCCCC4)cc3)nc2)n1 426730548 VRZLHHCAMAOLEW-OAHLLOKOSA-N 348.450 4.654 0 50 EJAA C[C@@H]1[C@H](C(=O)Nc2cccc(Oc3ccncc3)c2)[C@@H]1c1ccccc1 430556552 UUMUHABJPQAEHW-JHVJFLLYSA-N 344.414 4.862 0 50 EJAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC2=O 667165028 LTKOIABBCGYNJB-IBGZPJMESA-N 348.446 4.801 0 50 EJAA O=C(Nc1cccc2cccc(NC(=O)c3ccco3)c12)c1ccco1 2876197 YOSXKUJMVDVRIH-UHFFFAOYSA-N 346.342 4.530 0 50 EJAA COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 5671294 VDKTYIPSFHXBCZ-UWJYYQICSA-N 346.386 4.531 0 50 EJAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)OCCO2 7669080 GDVWKNLSLFNQMN-UHFFFAOYSA-N 339.435 4.957 0 50 EJAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2c2nc3ccccc3n21 12378054 YKWULJVVXOGHSJ-UJKMTWAASA-N 348.405 4.681 0 50 EJAA C=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)cc1 65405079 BSYDJZBTAMTWHY-UHFFFAOYSA-N 346.386 4.736 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)CO[C@H]2CCCC[C@@H]2C)cc1C 170626333 XXMMUDTYLUWUJX-VDGAXYAQSA-N 329.484 4.562 0 50 EJAA C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 440755537 PGJKMLLBZWVONI-PBFPGSCMSA-N 345.874 4.706 0 50 EJAA CC[C@H]1C=CCN1C(=O)c1cccc(-c2cnc(C(C)C)s2)c1 534637746 NVDYTMQBHYSPAJ-INIZCTEOSA-N 326.465 4.724 0 50 EJAA COc1cccc(-c2ccc(C(=O)N(C)Cc3sccc3C)o2)c1 952962417 DHFSSBJSHILANX-UHFFFAOYSA-N 341.432 4.597 0 50 EJAA CN(CCCCc1ccccc1)C(=O)c1cc2c(F)ccc(F)c2[nH]1 1875259188 KEKGNIOUMKQKJQ-UHFFFAOYSA-N 342.389 4.541 0 50 EJAA CCCc1c2c(nn1-c1cc(Cl)ccc1OC)CC(C)(C)CC2=O 107080 BROJDPOKOGVCGZ-UHFFFAOYSA-N 346.858 4.642 0 50 EJAA O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 265184 HZNNDORNHGSURB-FQEVSTJZSA-N 334.346 4.607 0 50 EJAA Cc1cc(Br)c(Cl)cc1NC(=O)/C=C/c1ccco1 473815 ICSPIESHJWLSCQ-SNAWJCMRSA-N 340.604 4.656 0 50 EJAA COc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1787870 RQSBJIWVEBCHTD-GDNBJRDFSA-N 345.807 4.590 0 50 EJAA Cc1cccc(Br)c1N(C)C(=O)[C@@H](C)c1ccccc1 2165475 KASXPQDFIOWKML-ZDUSSCGKSA-N 332.241 4.524 0 50 EJAA C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2ccccc2c1 2855489 FYWMXBDAAMGLHD-CQSZACIVSA-N 339.822 4.749 0 50 EJAA COc1ccccc1Nc1nc(-c2ccc(OC)c(OC)c2)cs1 5671186 BBZUQZNJEGVJLH-UHFFFAOYSA-N 342.420 4.580 0 50 EJAA Fc1c(CN2CCCC2)cccc1Oc1ccc(C(F)(F)F)cn1 67817708 AZOPOQJCZKCRTE-UHFFFAOYSA-N 340.320 4.628 0 50 EJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C2 101693194 NGJIKNUKAYRYJI-NCHVAJSOSA-N 326.267 4.938 0 50 EJAA Brc1ccc(NCc2ncc(-c3cccs3)o2)cc1 109130232 GZBKAKXMZZVXRW-UHFFFAOYSA-N 335.226 4.778 0 50 EJAA C[C@H](CCN1CCN2CCC[C@H]2[C@H]1C1CCCCC1)c1ccccc1 239306252 GPUZEMUACDCDIM-WTIAFYNJSA-N 340.555 4.909 0 50 EJAA CCCO[C@@H]1CCCN(C(=O)Nc2cccc(SC)c2C)CC1 253418054 XKJIFYHVJOKRJQ-OAHLLOKOSA-N 336.501 4.530 0 50 EJAA CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(-n2cccc2)c1 302798057 BHJCFMYUEVRQBC-SFHVURJKSA-N 336.460 4.688 0 50 EJAA Cc1cc(CN(C)C(=O)N[C@@H](c2cccs2)C2CCCCC2)on1 584904230 AJJBGXJBNUKCDC-QGZVFWFLSA-N 347.484 4.508 0 50 EJAA c1cc(CN(Cc2cc(CN3CCCC3)cs2)C2CC2)cs1 820414223 WGDJHQLEKLZCFK-UHFFFAOYSA-N 332.538 4.570 0 50 EJAA Fc1cccc(-c2ccn(Cc3cnc(-c4ccccc4)s3)n2)c1 1875289103 SQQODSXLGXCJRC-UHFFFAOYSA-N 335.407 4.861 0 50 EJAA Cc1ccccc1[C@@H](CC(C)C)NC[C@H](CO)Cc1ccccc1F 2325842465 ZOBBRRNTLUMKJA-XMSQKQJNSA-N 343.486 4.662 0 50 EJAA CCOc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1CC 305925 ULLFMRHGAXNVDU-UHFFFAOYSA-N 338.403 4.738 0 50 EJAA S=C(Nc1ccc(Br)cc1)Nc1cccc(Cl)c1 618517 YVTLIGAOIFOPRW-UHFFFAOYSA-N 341.661 4.911 0 50 EJAA COc1ccc(C)c2c1C1=C(C2)C2=CCC[C@H](OC(C)=O)[C@]2(C)CC1 1068870 RPIUTHWGJMGJLV-RBBKRZOGSA-N 338.447 4.765 0 50 EJAA O=C1O[C@](Nc2ccc(Cl)cc2)(c2ccccc2)c2ccccc21 2283315 KENQCGZZRKGLIF-HXUWFJFHSA-N 335.790 4.824 0 50 EJAA C[C@]1(c2ccc(Br)cc2)NN=C(Cc2ccccc2)S1 5017464 YZTQTWIHYRNOIC-INIZCTEOSA-N 347.281 4.514 0 50 EJAA Cc1nnc(-c2cccc(-c3cccc(-c4ccn(C)n4)c3)c2)s1 23231575 QTYYZADNOBWTJI-UHFFFAOYSA-N 332.432 4.581 0 50 EJAA CCCn1ncc(NC(=O)[C@H](C)CCc2cccc(F)c2)c1C1CC1 452470017 XQKZKXIYPKOCME-CQSZACIVSA-N 343.446 4.517 0 50 EJAA C[C@@H](NC[C@H]1CCCCO1)c1cc(F)ccc1Oc1cccc(F)c1 1776005047 YTYWBJUIVZZJEX-RDTXWAMCSA-N 347.405 4.977 0 50 EJAA O=C(c1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1 46393 WWAKLNWATXCRJR-UHFFFAOYSA-N 332.428 4.727 0 50 EJAA biogenic O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 2762953 FXFJQUHFNZYFGU-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)c1cccc2ccccc12 4851306 NUCRUAALXFPTSQ-UTKZUKDTSA-N 333.431 4.964 0 50 EJAA CCC[C@H]1Oc2ccc(OCC)cc2[C@H]2CC(c3ccccc3)=NN12 25582970 XMSMRPZYNCKPPS-TZIWHRDSSA-N 336.435 4.755 0 50 EJAA Cc1cccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1C 55543644 LLGHRZPRCVBRCT-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA O=C(Nc1cccc2ccccc12)N1CCCC[C@H]1CCn1ccnc1 72155900 OTGGQDLEVMTVPU-SFHVURJKSA-N 348.450 4.513 0 50 EJAA COc1ccc(NC(=O)N2CCCC[C@H]2c2cccc(F)c2)cc1 72158022 JLWLILCYXJGPFK-SFHVURJKSA-N 328.387 4.593 0 50 EJAA Cc1cc([C@@H]2CCCCN2Cc2ccc3cccc(Cl)c3n2)no1 97522057 RJCVDPFGFOBSCX-SFHVURJKSA-N 341.842 4.912 0 50 EJAA Fc1cc(C(F)(F)F)ccc1CN1CCCC[C@@H]1c1ccccn1 97698903 OQAHQMZNJIGUGC-QGZVFWFLSA-N 338.348 4.967 0 50 EJAA CC[C@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 215168204 AWMAKGYMQFUTHX-QGZVFWFLSA-N 335.451 4.711 0 50 EJAA CN(Cc1cocn1)[C@H](c1cccnc1)c1ccc(Cl)cc1Cl 225465327 VKJSJKSBKLQBGR-QGZVFWFLSA-N 348.233 4.598 0 50 EJAA CS[C@H](C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 478224649 IASPGOAVPHBNED-QRQLOZEOSA-N 343.467 4.682 0 50 EJAA COCCN(Cc1[nH]c2ccc(F)cc2c1C)Cc1sccc1C 824405542 XDJCKJSAGRZSDI-UHFFFAOYSA-N 346.471 4.634 0 50 EJAA CCCCN(Cc1ccsc1)C(=O)c1cnoc1-c1ccccc1 952982283 GERZDJIYBAQWDB-UHFFFAOYSA-N 340.448 4.846 0 50 EJAA CCCSc1cccc(NCc2ccc(F)c3cccnc23)n1 1179327647 AKNDYQXVPQEWKJ-UHFFFAOYSA-N 327.428 4.883 0 50 EJAA Cc1ccc(-c2nccn2CC(C)(C)N2CCCCC2)c2cccnc12 1857684173 BOSATJCWHSRDKA-UHFFFAOYSA-N 348.494 4.671 0 50 EJAA C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 116583 CAVMUFAKBUMLGK-QGZVFWFLSA-N 331.415 4.610 0 50 EJAA CC(C)(C)C(=O)Nc1cccc2c(NC(=O)C(C)(C)C)cccc12 226123 MJWCRTJDGYQBQQ-UHFFFAOYSA-N 326.440 4.809 0 50 EJAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1Br 379664 AEEIBMZRWSCNHT-LLVKDONJSA-N 336.254 4.568 0 50 EJAA Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 456173 DPLABBMVCWXSBA-UHFFFAOYSA-N 346.455 4.789 0 50 EJAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1 2862805 AFCZHRPRCWYZQN-HZPDHXFCSA-N 325.452 4.629 0 50 EJAA CC(C)C[C@H](C)NC1CCN(c2ccc(-c3cscn3)cc2)CC1 48155952 FBOQFQSSTVTIIV-INIZCTEOSA-N 343.540 4.803 0 50 EJAA CC(=O)c1cccc(-c2cc([C@@H]3CCN(C/C=C/C(C)C)C3)ccn2)c1 65464012 JXRFWILADKGDJV-IOUFHMPJSA-N 348.490 4.953 0 50 EJAA CC(C)c1cc(Cn2ccnc2-c2ccc([C@@H]3CCCCO3)o2)on1 71388800 KUZPIMADZFQIKD-INIZCTEOSA-N 341.411 4.544 0 50 EJAA CC(C)Oc1ccc([C@@H](O)[C@@H](C)NCCCCc2ccccc2)cc1 71769679 QDKRPNIRRVUUQY-GCJKJVERSA-N 341.495 4.508 0 50 EJAA COc1cc(OC)c(C2CCCCC2)cc1C(=O)CCCCC(=O)O 71770760 CEOCAKPYOKAJEM-UHFFFAOYSA-N 348.439 4.579 0 50 EJAA Cc1ccc(C(F)(F)F)cc1NCc1csc([C@@H]2CCCO2)n1 134868392 YDBWGPULRUCDNT-AWEZNQCLSA-N 342.386 4.934 0 50 EJAA COc1c(CN[C@@H](C)c2ccc(C(F)F)nc2)oc2ccccc12 657986861 QHEHMZHOHNNRSH-NSHDSACASA-N 332.350 4.625 0 50 EJAA Cc1sc(Br)cc1C(=O)Nc1ccc2cc[nH]c2c1 1218940999 PLUPNFCPDWVJQW-UHFFFAOYSA-N 335.226 4.553 0 50 EJAA Brc1ccc(Nc2ccc(Br)cc2)cc1 366444 VKVHTZNHLOGHGP-UHFFFAOYSA-N 327.019 4.955 0 50 EJAA in-vitro O=C(COc1ccccc1)Nc1ccc2oc(-c3ccccc3)nc2c1 451105 MNGPIJDTXZBHSB-UHFFFAOYSA-N 344.370 4.512 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Br)cc2C)c(Cl)c1 458217 DPAGCQCXPKGEMU-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CN1CCC[C@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 459957 LIXBXGQITYSGOE-SFHVURJKSA-N 331.500 4.533 0 50 EJAA CC(C)C(=O)Nc1cccc(NC(=O)Cc2cccc3ccccc23)c1 9231698 YEJUYGKNDNUSCZ-UHFFFAOYSA-N 346.430 4.616 0 50 EJAA Cc1ccc([C@H](c2cccnc2)n2ccnc2-c2ccco2)c(C)c1 67724224 OPKXTTJVWFFQBJ-FQEVSTJZSA-N 329.403 4.793 0 50 EJAA Cc1ccc(F)c(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1Cl 77518498 WLKHNEJRFOPBSY-GFCCVEGCSA-N 335.781 4.556 0 50 EJAA CC1CCC(OC[n+]2cn(Cc3ccccc3)c3ccccc32)CC1 252498386 RAUYGGBBRBCVAB-UHFFFAOYSA-N 335.471 4.530 0 50 EJAA CC(C)(C)SCc1cccc(NC(=O)/C=C/c2cncs2)c1 2325748810 VWPPHICNXCXWKN-BQYQJAHWSA-N 332.494 4.827 0 50 EJAA O=C(NC1=Nc2cccc3cccc1c23)c1cccc(C(F)(F)F)c1 84249 HXKQIFWIFTWQOF-UHFFFAOYSA-N 340.304 4.680 0 50 EJAA Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(Cl)cc1Cl 284287 QIEKCZRSAQVRRT-UHFFFAOYSA-N 339.609 4.654 0 50 EJAA CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@@H]2[C@H]1c1cccs1 528372 NOCGPOGIVZUDDQ-MDASCCDHSA-N 327.449 4.550 0 50 EJAA c1ccc(Cc2nc3ccccc3n2CCOc2ccccc2)cc1 859483 BESMCKZBMYLEEH-UHFFFAOYSA-N 328.415 4.706 0 50 EJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1066938 NJEYMNJTVIJLJZ-MRXNPFEDSA-N 333.387 4.885 0 50 EJAA Cc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 1116494 ZBHRMOUHDQHBLL-WUKNDPDISA-N 327.427 4.914 0 50 EJAA CC(C)(C)[S@](=O)OC[C@H]1CC2c3ccccc3C1c1ccccc12 4800651 MWRRWLFNSUKCMC-CXJHKLIXSA-N 340.488 4.763 0 50 EJAA Clc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1 4845533 SDXZKTHYCGQFGH-UHFFFAOYSA-N 329.871 4.674 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)Nc1cccc(OCC(C)C)c1 121865450 XXPPBRSIOSFDQU-UHFFFAOYSA-N 329.400 4.539 0 50 EJAA Nc1c(-c2ccc(Br)cc2)cnn1-c1ccc(Cl)cc1 215851829 HPKHWWAOQCXRDX-UHFFFAOYSA-N 348.631 4.537 0 50 EJAA COc1ccccc1Cn1c(-c2ccccc2OC)nc2ccccc21 99149 BOEYUPXPCHEKSH-UHFFFAOYSA-N 344.414 4.769 0 50 EJAA CCOc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 318822 IIUNEKPYTJKEHT-UHFFFAOYSA-N 347.414 4.917 0 50 EJAA Cc1cc2nc(-c3cccc(NC(=O)c4ccco4)c3)oc2cc1C 434943 POWQESIAEAEZKL-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)cc1Cl 2845719 CRPIHAKAFFJNTM-UHFFFAOYSA-N 344.581 4.597 0 50 EJAA Cc1cccc(CSCCNC(=O)CCSc2ccccc2)c1 2992145 GQDLXWLACDHXOM-UHFFFAOYSA-N 345.533 4.527 0 50 EJAA Cc1ccccc1NC(=O)CSc1cc(C)c2cccc(C)c2n1 4801525 HECRETLDCCETMP-UHFFFAOYSA-N 336.460 4.891 0 50 EJAA CC(C)Oc1ccc(CCc2n[nH]c(=S)n2-c2ccccc2)cc1 6238418 ZCDVCGYZOIYVMR-UHFFFAOYSA-N 339.464 4.502 0 50 EJAA Cc1ccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)c(C)c1 6400414 KCEJHMVCKIDUEE-UHFFFAOYSA-N 347.846 4.556 0 50 EJAA FC(F)(F)c1cnc(CSc2nc3ccccc3[nH]2)c(Cl)c1 261494836 KYGKAXDIRYMUHL-UHFFFAOYSA-N 343.761 4.922 0 50 EJAA CC(C)(C)OCc1cc(C(=O)N2CCCC3(CCCCC3)CC2)no1 408276187 GWYWPTBNXMPFGX-UHFFFAOYSA-N 348.487 4.566 0 50 EJAA O=C(c1cccc(-c2ccc3ccnc(O)c3c2)c1)N1CCCCCC1 426438549 HEIGJBKWVVTHHJ-UHFFFAOYSA-N 346.430 4.624 0 50 EJAA CCOC1CC(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 888120536 PYRZXDRSSHFEFT-UHFFFAOYSA-N 334.419 4.589 0 50 EJAA Oc1cc(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)ccn1 1772704793 FJUXKMNEPOAPBE-UHFFFAOYSA-N 344.458 4.834 0 50 EJAA C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2C3CC4CC(C3)CC2C4)o1 1875342104 XVNPYAWIAFMJQK-VFLUUENZSA-N 341.495 4.524 0 50 EJAA Cc1cc(C)c(C(=O)NCC2(C(C)C)CCCC2)c(OC2CCC2)n1 1875357580 MJVXRFGIOYIWHC-UHFFFAOYSA-N 344.499 4.576 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 473840 BGSSQZGJQOUCGO-ZDUSSCGKSA-N 325.795 4.899 0 50 EJAA CCSC(NC(=O)Nc1ccc(Cl)cc1Cl)SCC 1390994 FXEGYOAEZKSDLZ-UHFFFAOYSA-N 339.313 4.905 0 50 EJAA COc1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 3615021 VQTHFLJKTRZQGO-UHFFFAOYSA-N 345.442 4.534 0 50 EJAA biogenic CCCCCC[C@H](O)CCCCCCCCCCC(=O)OCCO 4099075 JVKUCNQGESRUCL-IBGZPJMESA-N 344.536 4.754 0 50 EJAA in-vitro Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=O)CC(C)(C)C2 6764279 QAAJXQNJJUJMIC-UHFFFAOYSA-N 348.402 4.544 0 50 EJAA Cc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1F 13320150 PODNXMNVSHVTLX-UHFFFAOYSA-N 327.186 4.763 0 50 EJAA Cc1cc(NC(=O)Nc2ccc(F)cc2F)ccc1Br 20352385 ULIMQINHFWPLQZ-UHFFFAOYSA-N 341.155 4.680 0 50 EJAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(CC(C)C)cc1 55326330 RNHDKCVEDSXSPG-OAHLLOKOSA-N 325.456 4.613 0 50 EJAA CSc1cccc(CN(C)C(=O)c2ccc([C@@H]3CCCO3)s2)c1 91914713 BDIFJSSTJOXYJZ-HNNXBMFYSA-N 347.505 4.594 0 50 EJAA COC[C@@H]1CCC[C@@H]1n1ccnc1-c1c(OC)ccc2ccccc12 216938234 MWGRZJCRWRBAFY-WMZOPIPTSA-N 336.435 4.700 0 50 EJAA Clc1cnc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(Cl)c1 225498746 ARXJSEMIHFTYBT-UHFFFAOYSA-N 347.249 4.649 0 50 EJAA CC1=C[C@@H](C)[C@@H](CNCCNC[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@H](C)C1 239433392 XPPZSKFTXPXUHK-MCSHHISBSA-N 332.576 4.642 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 244909752 ATOKCVQCCLMGBV-ZMQVJYHMSA-N 349.908 4.742 0 50 EJAA CCc1ccc([C@H]2CCCN2C(=O)Nc2ncc(C(C)C)s2)o1 331465488 AYCBNHXWSUJEMR-CYBMUJFWSA-N 333.457 4.791 0 50 EJAA CCNc1nc(C)c(C(=O)N(Cc2ccsc2)C2CCCC2)s1 952981003 YLHDRMKWINAWDP-UHFFFAOYSA-N 349.525 4.530 0 50 EJAA CC(C)C[C@@H](CN[C@H](c1ccccc1)C(C)(C)O)Cc1ccccc1 1875345493 ZETITNHTKQAYGL-IFMALSPDSA-N 339.523 4.993 0 50 EJAA Cc1cc(CNc2ncccc2OCc2cccnc2)ccc1Cl 2325738141 GWNBATGTAKXYKN-UHFFFAOYSA-N 339.826 4.630 0 50 EJAA O=C(Nc1ccccc1N1CCCC1)c1cccc(Cl)c1Cl 463834 GYNOJTHAPXYBHX-UHFFFAOYSA-N 335.234 4.846 0 50 EJAA COc1ccc(Cl)cc1NC(=O)N1c2ccc(F)cc2CC[C@@H]1C 611368 DMZPLVLIZCJLCR-NSHDSACASA-N 348.805 4.861 0 50 EJAA Cc1cc(OC(F)F)ccc1NC(=S)Nc1cccc(F)c1 612251 FLVGKLFDHQTVRB-UHFFFAOYSA-N 326.343 4.544 0 50 EJAA CC(=O)Nc1ccc(-c2csc(Nc3ccc(O)cc3C)n2)cc1 613242 SUZRDWGRUUILFM-UHFFFAOYSA-N 339.420 4.526 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)c(C)c1 617419 KFYZFLPXKVRGIE-MRXNPFEDSA-N 348.240 4.554 0 50 EJAA CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 2942416 RJZFSIBXXSISDE-QGZVFWFLSA-N 335.532 4.528 0 50 EJAA C/C(=C\c1ccccc1)C(=O)NC(=S)Nc1ccc(Cl)cc1C 3106156 NVTNKRNENPWVBJ-JLHYYAGUSA-N 344.867 4.565 0 50 EJAA Cc1cccc(NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1 17071155 SYPHVENCLCODHR-UHFFFAOYSA-N 339.508 4.790 0 50 EJAA CO[C@H](Cn1ccnc1-c1ccnc2ccccc12)c1cccs1 71405619 HWUKCRCCVZMAQC-QGZVFWFLSA-N 335.432 4.548 0 50 EJAA Cc1ccn2cc(-c3ccc(NC(=O)CCC(F)(F)F)cc3)nc2c1 79406668 HWQYHVCGDZSBNZ-UHFFFAOYSA-N 347.340 4.591 0 50 EJAA CC(C)[C@H](NCc1ccnc(N2CCCC2)c1)c1cc2ccccc2o1 170066017 NNCOLHYHBBWGDB-QFIPXVFZSA-N 349.478 4.915 0 50 EJAA c1ccc(N2CCC[C@H]2CNCc2cccc(CC3CCC3)c2)cc1 2325842400 XEGFDPCAEKTDKI-QHCPKHFHSA-N 334.507 4.788 0 50 EJAA CC(=O)c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 129759 UAQKIOJOMDKNBX-UHFFFAOYSA-N 343.426 4.927 0 50 EJAA O=C(NCc1cccc2ccccc12)c1ccccc1C(F)(F)F 443629 HFJJGLJPYFMMRJ-UHFFFAOYSA-N 329.321 4.789 0 50 EJAA CCCCNCc1cc(Br)c(OCCC)c(OCC)c1 2863701 GMELRTMYHZYNLM-UHFFFAOYSA-N 344.293 4.526 0 50 EJAA Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(F)(F)F)c12 20605280 VLEGONJVTJCDSW-UHFFFAOYSA-N 331.341 4.684 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1C 33270631 BXQXNZOMYSJKTJ-HNNXBMFYSA-N 347.846 4.876 0 50 EJAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1c1ccccn1 221183782 UQRZASLFWJQXEH-SFHVURJKSA-N 339.826 4.584 0 50 EJAA Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2cccc(F)c2)c1 225517279 KVTYPZPZNUAASV-IBGZPJMESA-N 348.377 4.719 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257355727 CGMZETDGTMDEAD-WCSWMZASSA-N 332.528 4.841 0 50 EJAA CC(C)(C)c1cccc(OCC(=O)N2CCc3ccccc32)c1Cl 1166481487 ZYHZREZTEYJGPV-UHFFFAOYSA-N 343.854 4.606 0 50 EJAA CN(Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc2C1 1875323028 SXPZQDITLBLEIL-KRWDZBQOSA-N 335.369 4.575 0 50 EJAA C[C@@H](c1nc(-c2ccoc2)nn1C1CCCC1)N1CCCCCC1 1875348202 JDAMNBKLCRTFIG-HNNXBMFYSA-N 328.460 4.590 0 50 EJAA O=C(O)c1cc2ccccc2n1CCc1ccccc1C(F)(F)F 1875375512 CNMDCNLMQARIKH-UHFFFAOYSA-N 333.309 4.601 0 50 EJAA CC1(C)CCC[C@H]([C@](C)(O)CNCc2ccc3c(c2)CCCC3)C1 2325841574 AEZXDMUWAGRXCL-RBBKRZOGSA-N 329.528 4.622 0 50 EJAA Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc(C)c1Cl 97730 LZYZKYJYQMBOCT-UHFFFAOYSA-N 346.839 4.584 0 50 EJAA C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 117128 BMGZFFBJAXYWAY-INIZCTEOSA-N 330.431 4.774 0 50 EJAA COc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 318854 IRYMUIVAIDDMJT-UHFFFAOYSA-N 333.387 4.527 0 50 EJAA Oc1ccccc1-c1nc(Nc2ccc(F)cc2)c2ccccc2n1 17145658 IOPVSXRZXHNXBT-UHFFFAOYSA-N 331.350 4.885 0 50 EJAA Cc1ccc2c(C)c(C(=O)N(C)CCOc3ccccc3)oc2c1C 77505807 ZECWORULNBSPEX-UHFFFAOYSA-N 337.419 4.509 0 50 EJAA COc1ccc(Oc2cc(CN[C@H](C)c3ccc(C)o3)ccn2)cc1 163480661 KRULWULINHGQHP-OAHLLOKOSA-N 338.407 4.635 0 50 EJAA O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCCC[C@H]1c1nccs1 246775002 LJDINNTZVDFUQD-XHSDSOJGSA-N 346.883 4.654 0 50 EJAA CN(Cc1cccs1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 330713433 BKAYNUFDTXLYMD-UHFFFAOYSA-N 348.516 4.661 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1C 332129998 BSTFFQHPNXMBSZ-MPGHIAIKSA-N 340.471 4.572 0 50 EJAA Cc1ncoc1-c1ccc(NCc2c(Cl)n[nH]c2C2CC2)cc1 922625837 DBHMJZAMULOUQR-UHFFFAOYSA-N 328.803 4.516 0 50 EJAA Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[N@@]2Cc2ccccc2)cc1 1857795335 RLTHUIVLGQTWJM-WPFOTENUSA-N 327.427 4.803 0 50 EJAA O=C(O)c1ccccc1CC1CCN(Cc2coc3ccccc23)CC1 1875270612 JJYTZUVPELSRKG-UHFFFAOYSA-N 349.430 4.586 0 50 EJAA CC(=O)c1cc(C(=O)O[C@H]2CCCC23CCCC3)ccc1OC(C)C 1875357400 FPCUVFOSEGXBFD-IBGZPJMESA-N 344.451 4.946 0 50 EJAA CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(C)cc3)nc12 17119 FLRIEBLDPDBTRS-UHFFFAOYSA-N 346.478 4.606 0 50 EJAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(Cl)c1 108356 PFKSIPBHXKROGE-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA Oc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 117064 HMZWMEQAQDVIEZ-UHFFFAOYSA-N 336.416 4.993 0 50 EJAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3F)cc2)cc1 132052 OZBZAWIIMGKTEX-UHFFFAOYSA-N 349.361 4.606 0 50 EJAA CC(C)(C)c1ccccc1NC(=O)c1cccc(Br)c1 460660 FOWUKRLBVJRYMG-UHFFFAOYSA-N 332.241 4.999 0 50 EJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 1170330 SQUFSXISKFVIEA-INIZCTEOSA-N 332.403 4.836 0 50 EJAA Cn1cc([C@H](OC(=O)c2cccs2)C(F)(F)F)c2ccccc21 1399171 VWMIWKIJTLVSCN-AWEZNQCLSA-N 339.338 4.700 0 50 EJAA COc1cc2c(cc1NC(=O)c1ccccc1OC)oc1ccccc12 3567026 BOFDCIVXLVQCJV-UHFFFAOYSA-N 347.370 4.856 0 50 EJAA Cc1ccn2c(C(=O)CSc3cccc(Cl)c3)c(C)nc2c1 4003150 SDOKYZGARFNTOK-UHFFFAOYSA-N 330.840 4.580 0 50 EJAA N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1F 4873307 SCSFAEKHGMNTIY-RBCZPYDQSA-N 332.787 4.535 0 50 EJAA CCN(Cc1ccncc1)C(=O)c1sc2cccc(F)c2c1Cl 13737003 RDIZNBNBUSHMEX-UHFFFAOYSA-N 348.830 4.751 0 50 EJAA O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12 205126451 FHQXLWCFSUSXBF-UHFFFAOYSA-N 341.794 4.558 0 50 EJAA in-vitro Cc1csc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)n1 1875328702 IKBDNBRIBLNZTH-AWEZNQCLSA-N 334.448 4.939 0 50 EJAA O=C(Nc1ccccn1)c1cc(-c2ccccc2)nc2ccccc12 117140 PYPZQSKXCFGIFS-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA Cc1nn2c(N)c(-c3ccc(Cl)cc3)cnc2c1-c1ccccc1 464887 MPVDKVICCJRDMW-UHFFFAOYSA-N 334.810 4.607 0 50 EJAA COc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 1066039 HFBISXACPQRHMB-UHFFFAOYSA-N 331.415 4.733 0 50 EJAA CC(C)(C)c1ccc(OCCOc2ccc(C=O)cc2Cl)cc1 2866744 VRTMUYSXSXPACK-UHFFFAOYSA-N 332.827 4.908 0 50 EJAA c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 2882340 HKFMRBGOYPNVCU-UHFFFAOYSA-N 347.443 4.879 0 50 EJAA COc1ccc(NC(=O)c2ccccc2Oc2ccccc2OC)cc1 4842864 BTBWBFJAUSBEFA-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4903267 XTIBUUCCWIKJEO-ZMOODUGTSA-N 341.495 4.565 0 50 EJAA CC(=O)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1 36463424 HEHTYXOPJQUNOF-UHFFFAOYSA-N 348.398 4.753 0 50 EJAA in-vitro CN(Cc1cccc2cnccc12)C(=O)c1ccccc1C(F)(F)F 77564312 CUVINPVYPWKTLH-UHFFFAOYSA-N 344.336 4.526 0 50 EJAA CO[C@@H](C)c1cccc(NC(=O)Nc2cnn(C3CCCC3)c2C)c1 193526651 IYGCAOHGAUVXHD-AWEZNQCLSA-N 342.443 4.658 0 50 EJAA CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O 218073166 UTGPKJRGVZQZHC-CQSZACIVSA-N 342.435 4.794 0 50 EJAA biogenic CC(C)[C@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cccc1 263586980 AOYJTHLVYBAONY-CQSZACIVSA-N 331.466 4.509 0 50 EJAA CCCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(OC)cc1F 426503551 MTCUDPYYBNBFIJ-ZDUSSCGKSA-N 346.402 4.506 0 50 EJAA O=C(Nc1cccnc1)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 469050859 QLUSHJNBFRQICE-MRXNPFEDSA-N 349.356 4.860 0 50 EJAA C[C@H](NC(=O)Nc1ccc2n[nH]cc2c1)c1ccc2ccccc2c1 1775996436 FEWFQFWGWMPMCH-ZDUSSCGKSA-N 330.391 4.599 0 50 EJAA c1cc(CNC[C@H]2CCc3ccccc3C2)cc(-c2ccncc2)c1 1875264698 GDSYEPSATBUUOJ-IBGZPJMESA-N 328.459 4.643 0 50 EJAA CC(CNC(=O)[C@@H]1CCC2(CC2)C1)(c1ccccc1)c1ccccc1 1875336141 SUOLKILBHBXHII-GOSISDBHSA-N 333.475 4.689 0 50 EJAA CC(C)(C)c1cncc(CNc2ccc(Oc3cccnn3)cc2)c1 2325772388 MCCBPPDVVVMHEF-UHFFFAOYSA-N 334.423 4.574 0 50 EJAA CC(C)Oc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 144465 KFQBDFBFBFKIOU-UHFFFAOYSA-N 327.424 4.615 0 50 EJAA O=C(COC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 304572 AEMYUOPAFUHULM-UHFFFAOYSA-N 330.339 4.626 0 50 EJAA O=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1 453613 DGNCHWWPXIMKRG-UHFFFAOYSA-N 341.204 4.994 0 50 EJAA Cc1ccc(-n2cc(CO)c(-c3ccc(Cl)cc3Cl)n2)cc1 2541929 SFCSZIARFCNNPP-UHFFFAOYSA-N 333.218 4.647 0 50 EJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1csc(C)c1C 2801177 KNHLMQWIQXOJCS-UHFFFAOYSA-N 337.466 4.589 0 50 EJAA C/C=C/c1ccc(OCCCOc2ccccc2C(C)=O)c(OC)c1 2985220 KWQUOYDXRXWHTP-XBXARRHUSA-N 340.419 4.779 0 50 EJAA Cc1nn(-c2nc3ccccc3s2)c(C)c1Oc1ccccc1O 3177516 RCROWWJZFXZSGB-UHFFFAOYSA-N 337.404 4.597 0 50 EJAA Cc1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 4141867 MKANBMATYGFUIG-UHFFFAOYSA-N 330.309 4.843 0 50 EJAA O=C(O)c1ccccc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl 4542525 LUXHKELAQNBSLA-UHFFFAOYSA-N 344.581 4.597 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 4991571 UCGVVVXKCXOJSZ-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA CC(=O)c1cccc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 12307991 ZERXAFGEKLQTFD-JOCHJYFZSA-N 336.479 4.583 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)s2)nc2cc(F)c(F)cc12 125690436 IPIIXKYPTDJTFL-UHFFFAOYSA-N 325.723 4.593 0 50 EJAA Cc1cc(F)ccc1NC(=O)c1csc(-c2ncccc2Cl)n1 133356449 SRFFNFONOYZJBG-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(F)(F)CC1 155552214 SACSGCWHZKFQJK-UHFFFAOYSA-N 336.209 4.777 0 50 EJAA CCOc1cc(C)c(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1C(C)C 1704303415 JBEPJAFMBXHCJK-FGZHOGPDSA-N 345.527 4.644 0 50 EJAA CC(=O)Nc1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1 70733 HSHFBOJAFSWWTI-UHFFFAOYSA-N 341.411 4.960 0 50 EJAA CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O1 310077 YMMHKDSSFQWJNA-UHFFFAOYSA-N 338.190 4.753 0 50 EJAA COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1Cl 447580 PEUZOXRMDRJKGO-UHFFFAOYSA-N 333.815 4.636 0 50 EJAA Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1C 455101 ULCYXPPTGZCIBH-UHFFFAOYSA-N 345.398 4.921 0 50 EJAA Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 588405 QJSZYAKHRIHGPI-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 3001028 NUODQPIXBAZSKZ-UHFFFAOYSA-N 339.479 4.911 0 50 EJAA CCOc1ccccc1-c1cc(C(=O)O)c2cc(Cl)ccc2n1 3757133 WXUKMVSZQUJNKK-UHFFFAOYSA-N 327.767 4.652 0 50 EJAA COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c1Cl 4542751 VPAWXMLKWNNWTB-MDZDMXLPSA-N 336.218 4.962 0 50 EJAA COC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 5275695 JVICPCDJSHXXNQ-YUINZIOUSA-N 348.527 4.977 0 50 EJAA Cc1c(-c2ccccc2)nc2c(c(C)c(C)n2Cc2ccccn2)c1N 36351253 IOMRDTGSIYFCPB-UHFFFAOYSA-N 342.446 4.654 0 50 EJAA CCCn1c(-c2ccc(Oc3cnccn3)cc2)nc2cc(F)ccc21 438828696 NBRVDXBXOMLLMI-UHFFFAOYSA-N 348.381 4.835 0 50 EJAA CCCC[C@H](NC(=O)CCc1ccccc1Cl)c1cccnc1 670454885 VDAQMNTWPPNAPJ-SFHVURJKSA-N 330.859 4.715 0 50 EJAA O=C(O)c1oc2ccccc2c1CN1[C@H]2CC[C@H]1CC(CC(F)F)C2 903933751 FWJZLOMMHSCQTK-STQMWFEESA-N 349.377 4.529 0 50 EJAA CC[C@@H](c1ccccn1)N(C)Cc1ccc2cc(Cl)ccc2n1 952861732 JRTNVSIJHWABFE-IBGZPJMESA-N 325.843 4.866 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCCC1 94999 KYOGYHKZFXHBHO-UHFFFAOYSA-N 332.831 4.756 0 50 EJAA Cc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 177090 GZSLFJIYPFYCCU-SFHVURJKSA-N 330.431 4.576 0 50 EJAA COc1ccc(C)cc1NC(=O)Oc1cc(Cl)ccc1Cl 398405 PJDIFAXOCDNLPV-UHFFFAOYSA-N 326.179 4.921 0 50 EJAA Cc1cc(NC2CCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2231021 IXMWDIRAWQZSJQ-UHFFFAOYSA-N 326.831 4.713 0 50 EJAA CO[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 4702144 IWIRPYMDBVSHQH-AWEZNQCLSA-N 343.732 4.685 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccncc1 5073155 GHVCIFQAFWRAGH-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA C/C(=C\c1ccccc1)CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 22865770 CXCQNUVBQHLPCJ-ABZSSTOSSA-N 338.539 4.819 0 50 EJAA CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100323002 MHNSOBBJZCWUGS-PMOLBWCYSA-N 343.417 4.696 0 50 EJAA in-vitro Fc1cc(NCc2cc(-c3ccccc3)no2)ccc1OC(F)F 114452336 GPMWRYHEKYYIOH-UHFFFAOYSA-N 334.297 4.694 0 50 EJAA FC(F)(F)c1ccc2oc(CN3CCC[C@@H]3c3ccco3)nc2c1 132027437 XDQDFNVNPXROPH-CYBMUJFWSA-N 336.313 4.777 0 50 EJAA O=C(c1ccccc1)c1c(O)c(Cl)cc(Br)c1Cl 232318539 YOLTYADVDMAEDR-UHFFFAOYSA-N 346.007 4.693 0 50 EJAA CN1CCc2cc(-c3cccc(Oc4ccc(C(=O)O)cc4)c3)ccc21 1875328178 DBCWVKNOVRPMRQ-UHFFFAOYSA-N 345.398 4.836 0 50 EJAA O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)C1CCCCC1 285438 YMIKMUHBEIAREC-UHFFFAOYSA-N 332.403 4.783 0 50 EJAA CCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 455126 KOXDWVKFBKWGBW-UHFFFAOYSA-N 328.795 4.896 0 50 EJAA COc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccco2)cc1 2414553 QFSYWFLKAGTKFJ-HXUWFJFHSA-N 339.410 4.739 0 50 EJAA C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 3003920 GDYUGYCZGJDVJH-KRWDZBQOSA-N 331.415 4.757 0 50 EJAA COc1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 3130462 NUNFTYSEZOUUNP-UHFFFAOYSA-N 330.431 4.721 0 50 EJAA CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@H](O)CO 4521862 CGIHFIDULQUVJG-HAGHYFMRSA-N 330.553 4.530 0 50 EJAA biogenic,in-vitro O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1cccc(Cl)c1 8160823 WBNDPUFLLKDBBZ-KRWDZBQOSA-N 346.814 4.542 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 33270602 VEGYTDQCHNERBJ-CQSZACIVSA-N 333.819 4.568 0 50 EJAA c1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 55542962 XWWQRHJUIYFCLD-UHFFFAOYSA-N 328.459 4.676 0 50 EJAA COc1ccc2c(c1)Sc1ccccc1N2CC1CCN(C)CC1 95706047 HMZOSFTWIYZBTQ-UHFFFAOYSA-N 340.492 4.640 0 50 EJAA c1ccc([C@@H]2CCCCN2Cc2cnc(C3CCCCC3)nc2)nc1 216458426 IQDZEXSOQQWCMF-FQEVSTJZSA-N 336.483 4.647 0 50 EJAA Clc1ccc(Oc2ccc(NC[C@@H]3[C@H]4CCOC[C@H]43)cc2)cc1 2325863261 BTFPAZVTYYGBRE-GUDVDZBRSA-N 329.827 4.827 0 50 EJAA COc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 30229 DZLJQHQSFPSRTD-UHFFFAOYSA-N 331.371 4.572 0 50 EJAA Cc1ccc(C(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)cc1 477774 COWYIKFWYVGOHS-LJQANCHMSA-N 336.412 4.838 0 50 EJAA Cc1cc(C)nc(NC(=S)Nc2ccccc2C(F)(F)F)c1 609886 PNGOMFGGCQOFRJ-UHFFFAOYSA-N 325.359 4.526 0 50 EJAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 2890477 AHJLCQNZJHLCPU-GFCCVEGCSA-N 345.830 4.512 0 50 EJAA Cc1cccc(C)c1O[C@@]1(c2ccccc2)OC(=O)c2ccccc21 4117620 QDIBROZJVKGXOA-QFIPXVFZSA-N 330.383 4.754 0 50 EJAA FC(F)(F)c1cccc(N2CCN(C/C=C/c3ccccc3)CC2)c1 4980801 KFONMTOGIJOUDV-VMPITWQZSA-N 346.396 4.541 0 50 EJAA Cc1c(NC(=O)Nc2ccc(Cl)cc2)cccc1NC(=O)C1CC1 36567531 NASLWHLXBRRUSP-UHFFFAOYSA-N 343.814 4.641 0 50 EJAA C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H]1c1ccsc1 239591367 BBCTWGHZQXJGKP-LRDDRELGSA-N 334.872 4.566 0 50 EJAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CC3=CCCCC3)cc2)n1 479784455 YWAVPZMZFLGEMO-QGZVFWFLSA-N 337.467 4.557 0 50 EJAA Cc1nnc(SCc2ncoc2C(F)F)n1[C@H]1CCC[C@@H](C)C1 1775990964 IIYQJSQDSGOADG-KOLCDFICSA-N 342.415 4.556 0 50 EJAA Cc1ccc(C2=NO[C@@H](CN[C@@H]3CC(C)(C)c4ccccc43)C2)cc1C 1875328669 GDPATZJNLYGCLB-XMSQKQJNSA-N 348.490 4.809 0 50 EJAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)N1C[C@H]2CC[C@H]1C2 2325827624 LJLNFENGHMRVOW-MDZLAQPJSA-N 339.266 4.517 0 50 EJAA O=C(Nc1ccccc1Br)c1csc2c1CCCC2 282368 KREDFGOIEZLJOM-UHFFFAOYSA-N 336.254 4.642 0 50 EJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)CC2=O 309643 PFWDTZXZKWFNGJ-SJORKVTESA-N 340.250 4.717 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 451849 BBQCWDXAKGMOAI-VIFPVBQESA-N 328.170 4.539 0 50 EJAA COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2C)c(C)c1 454750 RGVWWRPRRNAVQG-UHFFFAOYSA-N 331.843 4.927 0 50 EJAA Cc1ccc(-c2c(C(=O)N[C@H](C)c3ccncc3)csc2C)cc1 16603875 RQFVRYJEYXWLDV-CQSZACIVSA-N 336.460 4.918 0 50 EJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 77390337 MFAMGJPAZMZHEH-LJQANCHMSA-N 349.409 4.583 0 50 EJAA Cc1cncc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 184468627 LSVABARVAILRFW-MRXNPFEDSA-N 332.451 4.763 0 50 EJAA FC(F)(F)c1cnc(CNc2cccnc2-c2ccccc2)s1 225429061 JIXRZZAQNHNLJD-UHFFFAOYSA-N 335.354 4.836 0 50 EJAA C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H]1c1cccs1 242284617 YIDXPZFRIWKIBD-WFASDCNBSA-N 334.872 4.566 0 50 EJAA Cc1nc(C2CC2)oc1C(=O)N1CCCCC[C@@H]1C1CCCCC1 252539014 NSDRHRROSVJTHY-QGZVFWFLSA-N 330.472 4.826 0 50 EJAA Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1Cl 2325898654 QFKIPNQYDDNHFE-UHFFFAOYSA-N 348.226 4.550 0 50 EJAA O=C1C(Nc2ccccc2)=C[C@H](c2ccc(F)cc2)N1c1ccccc1 122488 RCHOMWTUXBTZPF-OAQYLSRUSA-N 344.389 4.910 0 50 EJAA CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1ccccc1 149140 KIQVWHMGVUGIGI-UHFFFAOYSA-N 345.464 4.885 0 50 EJAA CC1(C)C(c2ccccc2)=N[C@H](c2ccc(C(F)(F)F)cc2)N1O 191973 SZHGGNGAKMTGHM-INIZCTEOSA-N 334.341 4.677 0 50 EJAA Cc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c(C)c1 467355 JZFQFOQRXFKBFD-UHFFFAOYSA-N 338.520 4.955 0 50 EJAA CC1C[C@H](C)N(C(=O)c2cc(-c3ccccc3Cl)on2)[C@@H](C)C1 815181 QXIMEZAZZVAQHP-STQMWFEESA-N 332.831 4.644 0 50 EJAA Cc1ccc(CNC(=O)C(Cl)(c2ccccc2)c2ccccc2)cc1 2735685 ADWMUHFESRNOAE-UHFFFAOYSA-N 349.861 4.794 0 50 EJAA O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1F 2865868 APNQSINNQYFMLU-UHFFFAOYSA-N 332.806 4.722 0 50 EJAA Cc1ccc(C)c(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1 4746077 KHFREOSBXIGMMN-UHFFFAOYSA-N 334.415 4.786 0 50 EJAA CN1/C(=C/C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 32609516 WKMJKCOECWPBSA-LTGZKZEYSA-N 346.474 4.857 0 50 EJAA Cc1ccc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)o1 67673338 CJTCCLOHYKGGNE-UHFFFAOYSA-N 349.430 4.664 0 50 EJAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cc(-c3ccco3)on2)C1 91725003 MIDRVOBLLIWJHY-HXUWFJFHSA-N 342.439 4.810 0 50 EJAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCc1c(C)noc1C 225510000 PJMOMULGHIXFGN-HXUWFJFHSA-N 337.467 4.681 0 50 EJAA CCCC[C@H](NC1CCN(c2ccccc2C)CC1)c1cccnc1 822830902 JKDWFYIHBLYSRH-NRFANRHFSA-N 337.511 4.880 0 50 EJAA Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1C 84111 UMRLQYPEOXHHNW-UHFFFAOYSA-N 326.399 4.670 0 50 EJAA CC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 281924 IQQUGKPJHOZQEB-OAQYLSRUSA-N 336.479 4.929 0 50 EJAA O=C(CSCc1ccccc1)Nc1cc(Cl)ccc1Cl 402145 SFBZCSBBTYBGIY-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA Cc1ccc(C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1C 449678 PJKIWFLWCOEOFO-UHFFFAOYSA-N 335.428 4.848 0 50 EJAA O[C@H](OCc1cccc(Oc2ccccc2)c1)C(Cl)(Cl)Cl 4753543 OZRHPSZQSYAAAL-CQSZACIVSA-N 347.625 4.684 0 50 EJAA Brc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1 4869939 NNEMWWNVOOAVMJ-MDZDMXLPSA-N 327.181 4.670 0 50 EJAA O=C(NCc1cccs1)c1sc2cccc(F)c2c1Cl 6861920 GFSQOUYZAYUEPP-UHFFFAOYSA-N 325.817 4.685 0 50 EJAA Cc1c([C@@H](C)NCCCc2ccccc2)cnn1-c1cccc(F)c1 12204146 DOOCSNHOPSCUMJ-MRXNPFEDSA-N 337.442 4.603 0 50 EJAA CCN(Cc1ccncc1)C(=O)c1oc2c(Cl)cc(C)cc2c1C 12315987 PNQYMQLUKMHHRR-UHFFFAOYSA-N 342.826 4.760 0 50 EJAA Cc1ccsc1CN(CCCC(F)(F)F)Cc1ccccn1 63846531 FQTDIEJBKFOZMQ-UHFFFAOYSA-N 328.403 4.796 0 50 EJAA Cc1cccc(-c2nc(CN(C)Cc3sccc3C)c(C)o2)c1 67713682 BVQLNCMYIPRUGP-UHFFFAOYSA-N 326.465 4.960 0 50 EJAA COc1ccc2[nH]c(CN3CCCC[C@H]3c3ccccn3)c(C)c2c1 72154853 YLOAEOYOZHBBRQ-NRFANRHFSA-N 335.451 4.607 0 50 EJAA O=C(c1ccc2ncsc2c1)N1CCCCC[C@H]1c1ccco1 82107048 NRMNSDHKZLTAJP-HNNXBMFYSA-N 326.421 4.647 0 50 EJAA Cc1ccc2c(C)c(C(=O)N(Cc3ccsc3)C3CC3)oc2c1 92098026 HPBXGLXDGHNSPI-UHFFFAOYSA-N 325.433 4.916 0 50 EJAA O=C(Nc1ccsc1Cl)N[C@H](c1ccccc1)c1nccs1 189423417 ZADXEOXPMCJGTJ-GFCCVEGCSA-N 349.868 4.769 0 50 EJAA C[C@@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc2ccccc2c1 253536942 RHVMAPJRCSBHQX-CQSZACIVSA-N 342.398 4.585 0 50 EJAA CC(C)[C@H](NC1CCC(C(=O)O)CC1)c1ccc(C(C)(C)C)cc1 263490477 QYWGEAQESOFCML-KVZIAJEVSA-N 331.500 4.914 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)CCc1cccc(F)c1 952971062 QTSAMNLKJRSWED-IBGZPJMESA-N 328.431 4.543 0 50 EJAA O=C(O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1 84391 KCUHAQFRBVBYKI-UHFFFAOYSA-N 330.796 4.905 0 50 EJAA CCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 444444 VKXNQRIBIYAZNH-UHFFFAOYSA-N 337.206 4.594 0 50 EJAA O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1 4427549 QJCCEQRRLMPAOK-UHFFFAOYSA-N 338.476 4.863 0 50 EJAA CCc1cc2c(=O)c(Oc3c(F)cccc3Cl)c(C)oc2cc1O 6519563 TVEXGFOGSZBOKS-UHFFFAOYSA-N 348.757 4.954 0 50 EJAA CN(C)C(=O)c1ccccc1-c1cc(OC(F)(F)F)ccc1Cl 96151790 MECDBVFRLRZCIL-UHFFFAOYSA-N 343.732 4.607 0 50 EJAA CCOc1cccc(NC(=O)c2cccc(-c3ccccn3)c2C)c1 132388175 CIZVVAWKKBNYRD-UHFFFAOYSA-N 332.403 4.708 0 50 EJAA COc1ccc2oc([C@@H](C)NCc3cccc(OC)c3F)c(C)c2c1 192681053 JFQCWRHYBZHIMM-CYBMUJFWSA-N 343.398 4.748 0 50 EJAA O=C(Oc1ccc(Oc2ccccn2)cc1)c1cncc2ccccc12 917631182 MUTUXBGSFVFYCK-UHFFFAOYSA-N 342.354 4.641 0 50 EJAA CC(C)(C)OC(=O)n1ccc2ccc(C(=O)Nc3ccccc3)cc21 1775964929 LWVMCPLFMKTZOU-UHFFFAOYSA-N 336.391 4.677 0 50 EJAA COc1ccc(C(C)=O)cc1CSc1nc2cc(Cl)ccc2o1 32626 PRFVQULPQIEXCV-UHFFFAOYSA-N 347.823 4.985 0 50 EJAA CCOC(=O)c1cc(C(=O)c2cccs2)n2c1ccc1ccccc12 388874 CPDYZNPGVDQQNF-UHFFFAOYSA-N 349.411 4.562 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCC1 1886746 INYPPBICKJNNSP-UHFFFAOYSA-N 330.255 4.601 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)N1N=CC[C@@H]1c1ccccc1 4681795 ZJIWKFBALDEBDW-OAHLLOKOSA-N 334.206 4.958 0 50 EJAA c1ccc(-c2ncn(CCc3ccncc3)c2-c2ccccc2)cc1 65424631 VPOZRYWYOBVQJQ-UHFFFAOYSA-N 325.415 4.855 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)c2c(C)n[nH]c2C)cc1C 119854788 QRXUUJYHSWLWDW-KXBFYZLASA-N 339.483 4.501 0 50 EJAA CC1(C)CC[C@H](NC(=O)CCc2ccco2)[C@H](c2ccccc2)C1 1462374944 ZQRXVWBZRFTCTB-OALUTQOASA-N 325.452 4.691 0 50 EJAA CC[C@]1(C)CCCN(C(=O)c2ccc(Oc3ccc(C)cc3)cn2)C1 1465405696 HJZFESLXLVAMJW-OAQYLSRUSA-N 338.451 4.835 0 50 EJAA FC(F)c1cc(N2C[C@H](c3ccccc3)Nc3ccccc32)ncn1 2325827060 UJQNVPRONFQZDI-MRXNPFEDSA-N 338.361 4.719 0 50 EJAA CC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 155582 VSXQOUPSLPHTDW-UHFFFAOYSA-N 338.194 4.596 0 50 EJAA FC(F)(F)c1cc(Cl)c(I)c(Cl)c1 165138 RLCCFAVBZGICHD-UHFFFAOYSA-N 340.897 4.617 0 50 EJAA in-vitro c1ccc(-c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 181763 UNRFLDWNYOFCTJ-UHFFFAOYSA-N 338.370 4.737 0 50 EJAA Cc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 240240 AWFXCLLMEJIIMQ-UHFFFAOYSA-N 348.412 4.644 0 50 EJAA Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1 269231 ARERRRAWYXBDEE-UHFFFAOYSA-N 330.359 4.649 0 50 EJAA O=C(Nc1ccccc1C1=NCCc2ccccc21)C1CCCCC1 2997427 XISSAOQCCBMZME-UHFFFAOYSA-N 332.447 4.599 0 50 EJAA O=C1c2ccccc2[C@@H](Nc2ccccc2)N1c1ccc(Cl)cn1 4960607 LPQDBPMDWHUXBH-SFHVURJKSA-N 335.794 4.506 0 50 EJAA CCCc1ccc2oc(C(=O)N(C)[C@@H](C)c3ccon3)c(C)c2c1 77343777 QSJMSWAFQZIRPR-ZDUSSCGKSA-N 326.396 4.515 0 50 EJAA COc1ccc(C)c(NC(=O)N2CCc3c(cccc3C(C)C)C2)c1 252484949 GKXCOISOWNSRHQ-UHFFFAOYSA-N 338.451 4.717 0 50 EJAA CC[C@@H](NC(=O)N1C[C@H](C(C)C)c2ccccc21)c1c(C)noc1C 331653335 MLEDYHSLAFMXHL-IAGOWNOFSA-N 341.455 4.712 0 50 EJAA CCN(CC)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 60740 YNYSGGGPHJRHFG-UHFFFAOYSA-N 336.357 4.804 0 50 EJAA COc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 117645 MVOCPKYAVSWJCE-RCCKNPSSSA-N 329.399 4.875 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(C)cc2Cl)cc1 398450 XYDQSVNYNZSAMG-UHFFFAOYSA-N 347.798 4.744 0 50 EJAA COc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 613643 JKWLVZZEWCPWSN-QGZVFWFLSA-N 345.442 4.782 0 50 EJAA CCC[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 6703858 SSQJEHPBNBXWTD-CQSZACIVSA-N 335.407 4.778 0 50 EJAA FC(F)(F)c1cnc(NCCc2c[nH]c3ccccc23)c(Cl)c1 20390177 DVVZEHLXFNKXSK-UHFFFAOYSA-N 339.748 4.890 0 50 EJAA Cc1nn(C)cc1-c1cc(C(F)F)c2c(-c3ccccc3)noc2n1 20605289 YGDDVDFATVRAIN-UHFFFAOYSA-N 340.333 4.536 0 50 EJAA Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC[C@H](C)O)c1F 65470650 JHLIDGVKCSRCBI-AWEZNQCLSA-N 342.389 4.575 0 50 EJAA CCOc1ncccc1NCc1cnc(-c2ccc(Cl)cc2)s1 1178254689 WOLARTRCAZURPM-UHFFFAOYSA-N 345.855 4.869 0 50 EJAA CCN(CC[C@H](C)CCCC(C)(C)OC)Cc1nc(C(C)C)no1 1506414309 XRXYFBRDHBLXNE-MRXNPFEDSA-N 339.524 4.636 0 50 EJAA CC(C)c1noc([C@@H]2CCCN2c2nc3ccc(Cl)cc3s2)n1 1529139319 PCEOPQPVWSXOBG-LBPRGKRZSA-N 348.859 4.798 0 50 EJAA CC(C)(CO)CCCn1ccnc1-c1ccc2cccc(Cl)c2n1 1857693147 KAVGLPQKKUGRIA-UHFFFAOYSA-N 343.858 4.550 0 50 EJAA Cc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 468420 SAKSLXSNBWJEEY-UHFFFAOYSA-N 329.484 4.868 0 50 EJAA Cc1cccc(-c2nc(=S)c3c(n2C[C@H]2CCCO2)CCCC3)c1 2876707 CFHZAIREYRLZPC-MRXNPFEDSA-N 340.492 4.646 0 50 EJAA COC(=O)c1ccccc1Oc1ccc(Cl)c(C(F)(F)F)c1 4105364 FQVBNZXYEVMXLU-UHFFFAOYSA-N 330.689 4.938 0 50 EJAA Cc1c(Cl)cccc1NC(=O)c1sccc1Br 4542012 OXMFQGOCNVPGLY-UHFFFAOYSA-N 330.634 4.725 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 4841641 MUZIRKXEIXWDFS-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)o1 5059480 OFDHAJPRXHFCMB-BUHFOSPRSA-N 343.386 4.712 0 50 EJAA Cc1ccc(N[C@H](c2ccc(O)cc2)[P@]2(=O)OCC[C@H](C)O2)cc1 5363272 MVCYMXFPPSIAHN-AXMJJZENSA-N 347.351 4.830 0 50 EJAA COC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1 8781872 MNHHEXIAIMMTSE-UHFFFAOYSA-N 343.835 4.846 0 50 EJAA Clc1cc(CNCc2cccnc2)ccc1OCc1ccccc1 10315527 LYYRYZOUDFVQCJ-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C)ccc1C 33270607 QIJZCTMBTWOFAX-INIZCTEOSA-N 327.428 4.531 0 50 EJAA Cc1cccc([C@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)c1 35561810 VYQDYMRMJHJZII-HXUWFJFHSA-N 340.442 4.961 0 50 EJAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1C 64985021 XRKLJKUPPSSVIF-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1c1ccncc1 161686459 CHRLZMTXPILWBO-FGTMMUONSA-N 340.492 4.699 0 50 EJAA c1ccc(Oc2cccc(N[C@@H](c3cccnc3)c3ncc[nH]3)c2)cc1 195112592 KMHDEMMIXQRSHA-FQEVSTJZSA-N 342.402 4.799 0 50 EJAA COc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccccc4[C@H]3C2)cc1 238936988 SSDAMYPWBSRGJN-NQIIRXRSSA-N 346.386 4.531 0 50 EJAA c1ccc(N=c2scc(-c3ccccc3)n2Cc2cccnc2)cc1 252674805 SPGWDSRXEQHWPK-UHFFFAOYSA-N 343.455 4.892 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(Br)c(Cl)c1 46243 OYHQVQBHPMKCJQ-UHFFFAOYSA-N 338.632 4.674 0 50 EJAA CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 450513 YLDDXZOYNABDOD-NRFANRHFSA-N 344.414 4.856 0 50 EJAA CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(F)cc1 451395 MAFTVOSATXKXKB-UHFFFAOYSA-N 330.384 4.747 0 50 EJAA O=C(Nc1ccc(Cl)cc1F)c1cc(Br)cs1 13326087 WCJUTUXLVGLBRC-UHFFFAOYSA-N 334.597 4.555 0 50 EJAA Cc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)c1 15839893 BLSFSDFPTONGKG-IBGZPJMESA-N 336.822 4.563 0 50 EJAA CCCCSc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 18115239 ROYHJSQMYPUXNV-UHFFFAOYSA-N 340.492 4.697 0 50 EJAA biogenic CC(C)n1cccc1C(=O)N1CCCCC[C@@H]1c1cccc(F)c1 244724656 MYDJFIIGKFMVJD-GOSISDBHSA-N 328.431 4.966 0 50 EJAA C[C@@H](NCCc1nc(-c2ccncc2)cs1)c1ccc2c(c1)CCC2 358057321 FWCAOTXYRRUDDE-OAHLLOKOSA-N 349.503 4.587 0 50 EJAA O=C(CCc1ccccc1)Nc1cccc(COc2ccccc2)c1 917853285 HQNIMHRDINRXAS-UHFFFAOYSA-N 331.415 4.837 0 50 EJAA C[C@H]1C[C@@H](c2ccccc2)N(c2nccc(N(C)c3ccccc3)n2)C1 1875331938 GGIXPRMCZXPSSZ-PXNSSMCTSA-N 344.462 4.832 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cc1 63940 SQJBQCXDLMDPDN-XCVCLJGOSA-N 336.616 4.754 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 184983 YDLAUURQTYLFFC-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA COc1cccc([C@H]2CC(=O)Nc3c2ccc(C)c3C)c1OC(C)C 4488803 JZYMJWHCXFDLQM-KRWDZBQOSA-N 339.435 4.573 0 50 EJAA O=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 7604025 SBWWUUJBJQZCPG-UHFFFAOYSA-N 331.582 4.924 0 50 EJAA CC(C)c1nc2cc(C(=O)N3CCC[C@H](c4ccccc4)C3)ccc2o1 12051635 VIAISCBCSBZGMP-SFHVURJKSA-N 348.446 4.971 0 50 EJAA Cc1cccc(NC(=S)Nc2c(F)c(F)cc(F)c2F)c1C 13736910 GNDUCENQWHLINJ-UHFFFAOYSA-N 328.334 4.669 0 50 EJAA Cc1cnc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)s1 17070544 LQYGUEXGYJGEOU-LBPRGKRZSA-N 334.510 4.916 0 50 EJAA CCCC(=O)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2 18324917 SJWCAMAMJFRBHY-UHFFFAOYSA-N 345.446 4.536 0 50 EJAA biogenic COC1=NC(C)=C[C@H](C(O)(c2ccccc2)c2ccccc2)C=C[C@H]1C 104279224 IIMBFCGBBCBRNL-DYESRHJHSA-N 347.458 4.693 0 50 EJAA c1ccc2c(Oc3ccc(Sc4ccncc4)cc3)ncnc2c1 110910236 RXKJYOIIPHSNEW-UHFFFAOYSA-N 331.400 4.968 0 50 EJAA Cc1nnc(-c2cccc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)o1 129534143 NBIQNOUVORDOKF-TZMCWYRMSA-N 325.334 4.578 0 50 EJAA CC[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cc(F)ccc1F 740799818 WHTCUHHXKGYATA-GFCCVEGCSA-N 345.176 4.548 0 50 EJAA O=C(c1c(O)cccc1Cl)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 800621828 FPNDECXBJFEPRE-HZPDHXFCSA-N 339.822 4.506 0 50 EJAA Cc1nc(COc2cccc(-c3cnc4ccccc4n3)c2)cs1 1775980215 UVZXOJFLWAOVTJ-UHFFFAOYSA-N 333.416 4.641 0 50 EJAA Fc1nc2ccccc2nc1NCCC12CC3CC(CC(C3)C1)C2 1875334555 UOQZWWUEDBDRAR-UHFFFAOYSA-N 325.431 4.787 0 50 EJAA O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)c1cccc2ccccc12 284628 NUCRUAALXFPTSQ-DYESRHJHSA-N 333.431 4.964 0 50 EJAA CC[C@H](C)Nc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2395405 XYFKYGSISGIFFD-NSHDSACASA-N 328.847 4.877 0 50 EJAA c1ccc(C(CCN[C@H]2COc3ccccc32)c2ccccc2)cc1 4072723 NAGLGNADMULCCZ-QFIPXVFZSA-N 329.443 4.932 0 50 EJAA Cc1ccc(-c2nnc(-c3cccc(NC(=O)c4ccco4)c3)o2)cc1 5059736 JIGZNUVRIGUKPG-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA CCn1ccnc1CN1CCc2c([nH]c3ccccc23)[C@H]1CC(C)C 20119756 QVRWXYBODPTNQQ-LJQANCHMSA-N 336.483 4.530 0 50 EJAA O=C(O)c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 44199265 OQWHCUAJBRTSEZ-UHFFFAOYSA-N 333.718 4.603 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 77339834 LUVSSIKXWIRNQV-OAHLLOKOSA-N 332.444 4.691 0 50 EJAA O=C(Nc1ccccc1)O[C@@H]1[C@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2 100705374 LURDPRCEUSFKGO-IJXRJRJASA-N 342.483 4.668 0 50 EJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccccc4)N23)cc1 230068422 NUTTVNZGHVOMQV-GHOCLPIOSA-N 340.426 4.622 0 50 EJAA CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccc(Oc3ccccc3)cn2)CCO1 296242427 AXTMGCRZPWTRFS-FVJLSDCUSA-N 340.467 4.728 0 50 EJAA COCC1(Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)CCC1 1857691402 JNVVBYYUAQIQJS-UHFFFAOYSA-N 341.842 4.568 0 50 EJAA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 104539 JGIGOEMPBRCXLT-HXUWFJFHSA-N 332.378 4.905 0 50 EJAA Cc1c(C=O)c2ccccc2n1Cc1ccc(Br)cc1 333941 SXDHCAHQCOMRKX-UHFFFAOYSA-N 328.209 4.573 0 50 EJAA O=C(CCCc1ccccc1)Nc1ccc(Br)cc1F 458462 UCAVJOMYEITAPJ-UHFFFAOYSA-N 336.204 4.550 0 50 EJAA CC(C(=O)NCc1ccccc1Cl)(c1ccccc1)c1ccccc1 463497 HTNXFEVAIOLGJF-UHFFFAOYSA-N 349.861 4.962 0 50 EJAA O=C(CCCc1ccccc1)Nc1nnc(C2CCCCC2)s1 2773522 RSZQKFTUEUZHHS-UHFFFAOYSA-N 329.469 4.547 0 50 EJAA CCc1ccc(N[C@@H](c2ccccc2)P2(=O)OCCCO2)cc1 2810181 URLNWSLALFTHCI-GOSISDBHSA-N 331.352 4.990 0 50 EJAA Cc1nc(C(=O)Nc2cccc(Cl)c2)cc2c1[nH]c1ccccc12 6556510 OYACTGRXSCYUPE-UHFFFAOYSA-N 335.794 4.930 0 50 EJAA O=C(Nc1ccc(Br)c(Cl)c1)Nc1ccccc1F 17071747 WNMBZOCQHCQJIA-UHFFFAOYSA-N 343.583 4.886 0 50 EJAA CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 64985006 IQIYDKKYXBQKKM-OAHLLOKOSA-N 333.819 4.820 0 50 EJAA Cc1cc(Cl)ccc1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 165482964 CGTMHYAFNVHYRQ-GFCCVEGCSA-N 347.846 4.570 0 50 EJAA Cc1ccc(NC(=O)c2ccc(C)s2)c(-c2nc(C3CC3)no2)c1 173862359 YDPNZAAGGGWNJA-UHFFFAOYSA-N 339.420 4.545 0 50 EJAA CC(C)(C)C[C@H](NC(=O)c1ccccc1OC(F)F)c1cccnc1 825703844 ZMYOFYKTFIMDEN-HNNXBMFYSA-N 348.393 4.590 0 50 EJAA CCC[C@H](N[C@H]1COC[C@H]1C)c1ccc(Oc2ccccc2)cc1 2325822346 RKGSTSJWVWVSBK-CZAAIQMYSA-N 325.452 4.945 0 50 EJAA C[C@@]1(C(=O)NCc2ccco2)CC2c3ccccc3C1c1ccccc12 33324 VFPSYDSGTZBDKM-YDPRHXJPSA-N 343.426 4.583 0 50 EJAA Cc1cccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 54638 BOOIWXQTFCJOSH-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Fc1ccccc1Cn1cc(C(=S)N2CCCC2)c2ccccc21 305837 PHKUJJVXNXIMAV-UHFFFAOYSA-N 338.451 4.600 0 50 EJAA CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 452225 SNHLIJLFMKAWFW-UHFFFAOYSA-N 345.826 4.649 0 50 EJAA CCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2O)cc1Cl 461074 YJLWBZGHAMRRLK-UHFFFAOYSA-N 340.206 4.658 0 50 EJAA Cc1ccc(N(C)C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 619152 ZOTZFXICMCCEEQ-UHFFFAOYSA-N 345.398 4.861 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1Cl 1095248 HLYSCEBNLVIYCF-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C)c(Cl)c3)C2=O)cc1 1187363 KFDRCKTXONIXFY-OAHLLOKOSA-N 346.839 4.595 0 50 EJAA Cc1ccc(CSCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 2982156 YOZKRGFEZPYIHW-MRXNPFEDSA-N 345.533 4.525 0 50 EJAA CCCOc1cc2oc(=O)cc(-c3ccc(OC)cc3)c2cc1Cl 4809055 MUTFYZIQJOBKLO-UHFFFAOYSA-N 344.794 4.911 0 50 EJAA COc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 4842425 CEIMWJXBJXNNSA-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA COC(=O)Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1 97757225 TVENJPRMXSAHSQ-UHFFFAOYSA-N 332.399 4.648 0 50 EJAA CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 139137554 YZLBMKFWNDFUGQ-UCEGJLSESA-N 346.474 4.733 0 50 EJAA CCC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@H]2[C@H]1c1ccco1 239038544 DKDKVIPKAZQOEX-UYHISHBKSA-N 331.799 4.509 0 50 EJAA COC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257345823 JVICPCDJSHXXNQ-KCVBTACZSA-N 348.527 4.977 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cl)cc1F 822823331 CBCZIDRWEFEHJY-KRWDZBQOSA-N 334.822 4.878 0 50 EJAA Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)[C@H]1C[C@H]1c1ccccc1 1875255134 BCFCDIWASUBZMD-ZMYBRWDISA-N 346.430 4.572 0 50 EJAA Cc1nc2ncccn2c1-c1csc(Nc2ccccc2Cl)n1 84409 QQWZVRCWSLXRIA-UHFFFAOYSA-N 341.827 4.558 0 50 EJAA CC1(C)Oc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2O1 114775 HOKPWZPURSFAAC-UHFFFAOYSA-N 337.419 4.644 0 50 EJAA O=C(c1ccco1)c1cn(CCOc2ccccc2F)c2ccccc12 560612 IIFVAVTXAHBMHA-UHFFFAOYSA-N 349.361 4.683 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2)cc1 618323 KVPUZRQVYQWFET-UHFFFAOYSA-N 345.398 4.604 0 50 EJAA CCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 619171 COUDJHPISYHWET-UHFFFAOYSA-N 344.414 4.954 0 50 EJAA Sc1nnc(CSc2ccc(Cl)cc2)n1-c1ccccc1 732319 DBINDTFLQWWCOL-UHFFFAOYSA-N 333.869 4.502 0 50 EJAA CCCCCCOc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O 2924765 CGHJCRAEMVOSRH-KNTRCKAVSA-N 349.430 4.990 0 50 EJAA CSc1ccccc1C(=O)Nc1ccc(Br)cc1C 3344317 SNPVZIGBYCZVSJ-UHFFFAOYSA-N 336.254 4.732 0 50 EJAA CC[C@H](C)c1ccc(NC(=O)c2ccc(Br)o2)c(O)c1 5954056 PSFYQHWDFXWPKJ-VIFPVBQESA-N 338.201 4.514 0 50 EJAA Cl/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 19633985 YIYDSSGHGUNHMU-AQTBWJFISA-N 347.289 4.742 0 50 EJAA CC(C)[Si](c1ncc(C(=O)c2ccccc2)o1)(C(C)C)C(C)C 169839016 IJPGLDZXSJKFQQ-UHFFFAOYSA-N 329.516 4.791 0 50 EJAA CC[C@@H]1C[C@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 465293882 GSOUIAAFSLOBMU-GXTWGEPZSA-N 348.899 4.653 0 50 EJAA CC(C)c1c(NCc2nccs2)cnn1-c1ccccc1Cl 480478138 FAIGJJOOICFIEJ-UHFFFAOYSA-N 332.860 4.718 0 50 EJAA CCOc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 499195007 JRGLITUFEDZFHD-NSHDSACASA-N 338.234 4.883 0 50 EJAA CCCOc1ccc([C@H](C)NC(=O)Nc2cccc3cc[nH]c23)cc1 681501309 HJJQWRZLCXVJDF-AWEZNQCLSA-N 337.423 4.839 0 50 EJAA Cc1cc(NC(=O)[C@@]23CCCC[C@@H]2CC(F)(F)C3)cnc1C(F)F 1875328871 PNRCVOUKUSHHTH-BDJLRTHQSA-N 344.352 4.872 0 50 EJAA CCc1ccc(-n2nc(C3CC3)nc2-c2ccc3c(c2)[C@H](C)CO3)cc1 1875346854 CNHBZNJRKYWFTP-CQSZACIVSA-N 345.446 4.870 0 50 EJAA CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC[C@H](CC)C2 86296 DVGFOAMYKMCTFV-LBPRGKRZSA-N 349.496 4.568 0 50 EJAA CCc1sc(NC(=O)Cc2cccs2)nc1-c1ccccc1 463461 CDJMFYUWDFOLDV-UHFFFAOYSA-N 328.462 4.615 0 50 EJAA Cc1c(Br)ccc(NC(=O)c2ccc(Cl)cc2)c1C 617781 ZKMRAMLGYDXPQP-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA O=C(Nc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 1326417 RSLFVGMJMZTKFL-UHFFFAOYSA-N 337.448 4.708 0 50 EJAA CCc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 2810770 DWUFSHWKXKMCGU-KRWDZBQOSA-N 334.246 4.703 0 50 EJAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCc2ccccc21 3908244 XZICPUGGACEJHO-UHFFFAOYSA-N 338.794 4.588 0 50 EJAA COc1c(Cl)cc(Cl)cc1/C=C/c1nc2ccccc2c(=O)o1 4842514 GIHJVYCWIPPWRL-VOTSOKGWSA-N 348.185 4.674 0 50 EJAA Cc1ccnc(SCc2csc(-c3ccccc3Cl)n2)n1 6741672 MWGDFJQPOJRUBD-UHFFFAOYSA-N 333.869 4.854 0 50 EJAA Cc1cc(C)c(NC(=O)[C@@H]2CCCCN2C2CCCCC2)c(C)c1 186700 KBOMNCDLICXPTM-IBGZPJMESA-N 328.500 4.738 0 50 EJAA O=c1oc(-c2ccccc2F)nc2scc(-c3cccs3)c12 445801 HCFLZWPTULUIMN-UHFFFAOYSA-N 329.377 4.784 0 50 EJAA CC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccccc1 473030 ZLPFRXQXRCNBAU-OAQYLSRUSA-N 333.431 4.850 0 50 EJAA CC(C)Cc1ccc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)cc1 2383623 SCFAMLLJBVUCHH-BQYQJAHWSA-N 333.353 4.954 0 50 EJAA C[C@@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1 6665012 WROIWPZRFNQFBL-SFHVURJKSA-N 349.478 4.662 0 50 EJAA Cc1c(-c2ccccc2)nc2c(c(C)c(C)n2Cc2ccncc2)c1N 12324806 AMFLESKGOMFHPP-UHFFFAOYSA-N 342.446 4.654 0 50 EJAA COCCC[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1F 77524877 WQSZYPXIIBQCEI-OAHLLOKOSA-N 333.369 4.626 0 50 EJAA Cc1noc(C)c1CNc1ccc(-c2cn3cccc(C)c3n2)cc1 120621599 YWALNXVWNMIFBQ-UHFFFAOYSA-N 332.407 4.527 0 50 EJAA C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCO[C@@H]1C(C)(C)C 225605926 GUTFVXSRNNWZBU-UNEWFSDZSA-N 343.433 4.677 0 50 EJAA Cc1ccc(N=c2cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 238937029 SVNQTOHVIQOSHR-UHFFFAOYSA-N 345.829 6.294 0 50 EJAA C[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244817043 STMYRUWDJOTNRT-IAWSKEAVSA-N 347.930 4.580 0 50 EJAA CN(Cc1sc2ccccc2c1Cl)C(=O)c1cc(C2CC2)no1 1506395720 LOACJUIZYGPYPQ-UHFFFAOYSA-N 346.839 4.692 0 50 EJAA CCn1c2ccccc2c2cc(Nc3ncc4cccnc4n3)ccc21 1875361756 ABMVSRAALAFCMG-UHFFFAOYSA-N 339.402 4.896 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 309895 VBEOJCIFYIJDFC-QHHAFSJGSA-N 328.145 4.924 0 50 EJAA O=C(/C=C/Nc1ccccc1Br)c1ccc(Cl)s1 434130 UQOFIDLCWVYRRX-BQYQJAHWSA-N 342.645 4.973 0 50 EJAA CCN(CC)CCCCCCOc1ccc(Br)cc1 2880615 TZSICKANMXJOFC-UHFFFAOYSA-N 328.294 4.730 0 50 EJAA COc1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1Cl 4542051 RXNKBGMKEXUTAJ-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA CCN(CC)CCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc12 4817251 ZGQVVUVPLTWVON-UHFFFAOYSA-N 346.478 4.606 0 50 EJAA O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl 4818871 YZOJZHIGOTWJEU-UHFFFAOYSA-N 335.234 4.846 0 50 EJAA C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O 5211621 OOLBCHYXZDXLDS-SECBINFHSA-N 327.163 4.638 0 50 EJAA in-vivo Cc1cccc(-n2c(S)nnc2-c2csc3c2CC[C@H](C)C3)c1 6755858 OSGAERKXSJKULQ-LBPRGKRZSA-N 341.505 4.718 0 50 EJAA COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 12359066 QAEWAYWLMREGRA-UHFFFAOYSA-N 339.398 4.881 0 50 EJAA Brc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 22023191 XJPFNFYDIOHZMJ-KRWDZBQOSA-N 331.257 4.571 0 50 EJAA CC(=O)c1cccc(NCc2nc(-c3c(F)cccc3F)cs2)c1 127315455 YAPOSTAEUBBVHG-UHFFFAOYSA-N 344.386 4.903 0 50 EJAA CCOc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 42866 PLPAJKCRFHSBJT-JSGCOSHPSA-N 328.239 4.615 0 50 EJAA CC(C)OC(=O)Nc1cccc2c(NC(=O)OC(C)C)cccc12 398027 IUPGZCDQCTYKAZ-UHFFFAOYSA-N 330.384 4.754 0 50 EJAA CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 408061 QENOZSWHPXLPQL-UHFFFAOYSA-N 331.415 4.605 0 50 EJAA Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)c(C)c1 453996 LPANDIFLZKNBFI-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 884414 LKPHCDSDJRIFEE-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1C 1074884 ONVRSFUVCNAVKV-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Cc1cccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)c1 6860635 OWEJCVOSOOLDTL-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA Cn1c(=S)n(CN2CCC(c3ccccc3)CC2)c2ccccc21 19952736 FFUGYXQWSVVNBD-UHFFFAOYSA-N 337.492 4.546 0 50 EJAA COc1ccc(-c2nc(CN3CCCC[C@@H]3C)c(C)o2)c(C)c1C 20997581 JOIIMOAUGRADGC-ZDUSSCGKSA-N 328.456 4.650 0 50 EJAA CC(C)(C)c1cc(C(=O)CN2CCCCC2)cc(C(C)(C)C)c1O 53992791 FEWMDOGJRBBUEL-UHFFFAOYSA-N 331.500 4.656 0 50 EJAA CC(C)C[C@@H](O)C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 95519072 CAIXMKAWAQBHAE-GOSISDBHSA-N 332.875 4.512 0 50 EJAA FC1(F)CCN(c2ccc(C(F)(F)F)cc2Br)CC1 169725673 YESAKBGGPXELMI-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA CCc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(C)=O)cc1 225793623 DDCGAKPAUJZOBB-CQSZACIVSA-N 327.449 4.571 0 50 EJAA Cc1cc(C(=O)CCC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(C)s1 230216719 XHWVWRFMZHGMHN-QANKJYHBSA-N 347.524 4.755 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 248382730 XXSFRYVGIQYVIQ-LWKJTACWSA-N 330.512 4.761 0 50 EJAA CCc1ccccc1N1C(=O)[C@@H](c2ccc(Cl)cc2Cl)N=C1O 328595501 WPXGECAFSGDQIF-OAHLLOKOSA-N 349.217 4.558 0 50 EJAA CCCCc1nc2ccccc2n1Cc1ccc([C@H](C)C(=O)O)cc1 1776004775 XHFUHGQHMAKMCP-HNNXBMFYSA-N 336.435 4.615 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccnc2)no1 70461 VTJZSCNCVNAMGJ-SECBINFHSA-N 336.178 4.578 0 50 EJAA COC(=O)c1ccccc1Sc1ncc(C(F)(F)F)cc1Cl 167467 ZCZVFEXDWULTOG-UHFFFAOYSA-N 347.745 4.692 0 50 EJAA Cc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 434946 JUWWAUHTWDZAFP-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 472314 VCHZIWSVDXHGKY-UHFFFAOYSA-N 333.416 4.624 0 50 EJAA COc1ccc(Cl)cc1NC(=S)N[C@@H]1CCCc2ccccc21 611789 OGXDWCJJKONGSB-OAHLLOKOSA-N 346.883 4.713 0 50 EJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)CC2=O 2106577 SUXPZCVVHOTCJP-SJORKVTESA-N 340.250 4.717 0 50 EJAA COc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 4739305 NQHNVZWWBVSLPS-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA O=C(Nc1ccccn1)c1cccc(OCc2ccccc2Cl)c1 4821179 XCJLOFJXMMDEMG-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA Cc1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)C[C@H](C)O2 11999135 MCYWHAOSORFGJI-SFHVURJKSA-N 337.463 4.518 0 50 EJAA Cc1ccc(N[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1C 12210676 IXIQVGXOKJTBOW-IBGZPJMESA-N 348.446 4.766 0 50 EJAA CC(C)Oc1ccc([C@H](O)[C@@H](C)NCCCCc2ccccc2)cc1 71769678 QDKRPNIRRVUUQY-XMSQKQJNSA-N 341.495 4.508 0 50 EJAA CC(=O)CC(C)(C)CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 191842491 DCYCDJPLEDOSHS-UHFFFAOYSA-N 349.434 4.564 0 50 EJAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1nccs1 263588302 ROJZPDCJVICDQX-GOSISDBHSA-N 347.443 4.716 0 50 EJAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2ncccc12 263588865 ZIZMESNRTDUIHT-IBGZPJMESA-N 347.443 4.716 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)N(Cc2ccsc2)C2CCCC2)cn1 426662530 VUEFAMXFGPKLFI-OAHLLOKOSA-N 343.496 4.667 0 50 EJAA Cc1ccc(CSCc2ccc(C(=O)NCCC(C)C)o2)cc1 262952 IDTUBQFGQPRCGG-UHFFFAOYSA-N 331.481 4.797 0 50 EJAA Cc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 315738 DPRZKNDPFKQQOC-UHFFFAOYSA-N 330.391 4.887 0 50 EJAA CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(Br)cc1 2774127 CJFQCRMOKGWYRC-BRADTZPFSA-N 338.289 4.795 0 50 EJAA COc1cc(C=O)ccc1OCCCOc1cc(C)ccc1C(C)C 2984343 MUUSXNPXNNXPNT-UHFFFAOYSA-N 342.435 4.787 0 50 EJAA O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 4819628 PUHZCOBLXDOFSF-UHFFFAOYSA-N 331.696 4.679 0 50 EJAA CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN12 5235444 CMKUHKJNAPHLJF-HKUYNNGSSA-N 326.827 4.928 0 50 EJAA Cc1cnc(CN2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)[nH]1 15961653 ASVPDLZRWLGUQV-JOCHJYFZSA-N 348.494 4.879 0 50 EJAA O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC[C@@H]1c1ccccc1 216398723 AGDWITGKGIFECJ-CVEARBPZSA-N 327.449 4.577 0 50 EJAA c1ccc([C@@H]2c3cccn3CCN2Cc2cncc3ccccc23)cc1 768423548 HTGAIUMPBLRMKS-HSZRJFAPSA-N 339.442 4.642 0 50 EJAA FCc1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 1875268838 GXTLMCGSAKRHND-UHFFFAOYSA-N 335.426 4.968 0 50 EJAA COc1cc(CNCc2cccs2)ccc1OCc1cccs1 360052 JFMCULHWJFTIGG-UHFFFAOYSA-N 345.489 4.687 0 50 EJAA Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)c(C)c1 444536 QFSKOLNMIOGVOL-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CCN(CC)C(=S)SCC(=O)c1ccc(-c2ccccc2)cc1 2989406 DBWJPECORLSRDK-UHFFFAOYSA-N 343.517 4.896 0 50 EJAA Cc1nc(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3)c2)cs1 4247951 BKRHMUPHCFEMKT-CYBMUJFWSA-N 338.432 4.525 0 50 EJAA Cc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1C 4718309 DSYHATDSLODBLS-LJQANCHMSA-N 344.458 4.884 0 50 EJAA CCCn1c2ccccc2c2nnc(SCCc3ccccc3)nc21 5050026 QWNCYEVOSBCUPC-UHFFFAOYSA-N 348.475 4.724 0 50 EJAA CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(F)cc1 13325474 GZAQFRNPABKQNC-UHFFFAOYSA-N 327.428 4.705 0 50 EJAA CC(=O)Nc1ccc(NC(=S)Nc2cccc3ccccc23)cc1 13797305 JTUYVPIOZNJEIG-UHFFFAOYSA-N 335.432 4.607 0 50 EJAA Cc1ccsc1CNc1ccccc1C(=O)N(C)Cc1ccoc1 55252512 NEDBHWPXQREFDP-UHFFFAOYSA-N 340.448 4.534 0 50 EJAA CCc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 65362032 NUVURHMURNIWAD-UHFFFAOYSA-N 347.422 4.735 0 50 EJAA c1ccc(CN2CC[C@H]([C@H](c3ccccc3)c3ccccn3)C2)cc1 101359236 BLHARDLNGUCJNB-GMAHTHKFSA-N 328.459 4.736 0 50 EJAA C[C@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)N1CCCCC1 215661985 WZFQLAOVACZDBN-GOSISDBHSA-N 346.478 4.540 0 50 EJAA CO[C@@H]1CCC[C@@]12CCCN(c1cc(C)nc3c(F)cc(F)cc13)C2 1704311292 DAIMCCZPMLFHNO-QUCCMNQESA-N 346.421 4.607 0 50 EJAA O=C(CCSc1ccccc1)Nc1ccccc1Br 443561 QNGINKGIODXBQU-UHFFFAOYSA-N 336.254 4.570 0 50 EJAA CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 473562 VQNFHPDHAPCFRB-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA Oc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1 572970 QCMCUNZEDOLOBR-UHFFFAOYSA-N 342.402 4.691 0 50 EJAA O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CCC=CCCC=CCC[C@@H]12 4409064 TVPSUVVLKOFAJS-QNRNLVPOSA-N 340.423 4.862 0 50 EJAA COc1ccc(OCCCSc2nc3ccccc3s2)cc1 5013282 RYQTVDPNUNLSHS-UHFFFAOYSA-N 331.462 4.866 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)c1sc(-c2cccnc2)nc1C 16647760 FYKZDTGKNVWYOI-UHFFFAOYSA-N 343.839 4.728 0 50 EJAA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccncc1 433730 HQJFQAJMJYQZEX-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA C[C@@H]1C(=O)SC2(CCCCC2)N1c1ccc(Br)cc1 2280317 LXEPHCROZKCKJW-LLVKDONJSA-N 340.286 4.578 0 50 EJAA O=C(OCc1cccc(Cl)c1)c1ccc2c(c1)-c1ccccc1C2=O 2850679 BIIDQDLHRBAUJH-UHFFFAOYSA-N 348.785 4.908 0 50 EJAA Cc1ccc(C)c(NC(=O)CSc2cc(C)c3ccccc3n2)c1 4188722 KAJHOWVFIMYJMA-UHFFFAOYSA-N 336.460 4.891 0 50 EJAA c1ccc(CNCC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 4677214 DXIZNVHVLWVQIJ-NRFANRHFSA-N 345.442 4.727 0 50 EJAA Cc1ccc2cccc(OCCOc3ccccc3OC(C)C)c2n1 13285133 CNGQCACLRDKEQE-UHFFFAOYSA-N 337.419 4.788 0 50 EJAA COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 13496768 XULKATVQDVQTJO-UHFFFAOYSA-N 340.370 4.831 0 50 EJAA O=C(Nc1cccc2ccccc12)OC[C@H]1CCCN2CCCC[C@@H]12 16662529 UJVSSKXGVRAIHG-XLIONFOSSA-N 338.451 4.653 0 50 EJAA Brc1ccc(-c2ccc(NCc3ccccc3)nn2)cc1 20725657 NZSUWZOQUQXMAX-UHFFFAOYSA-N 340.224 4.518 0 50 EJAA CC1(CCC[C@H]2CC[C@@H]3C(C)(C)C[C@@]4(C)CCC(=O)[C@@]234)OCCO1 71786437 NTWYFVKRZLBGAR-VXIWKAIFSA-N 334.500 4.731 0 50 EJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCC[C@H]1c1ccc(F)cc1 77390341 MFAMGJPAZMZHEH-IBGZPJMESA-N 349.409 4.583 0 50 EJAA O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@@H]1c1ccco1 116478665 GMBPWZDNJAQSSP-OAHLLOKOSA-N 339.420 4.772 0 50 EJAA Cc1nc(-c2ccccc2)oc1C(=O)N(c1ccccn1)C1CCCC1 154478894 ZISFGUVFKGYSHM-UHFFFAOYSA-N 347.418 4.634 0 50 EJAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C1CCCCC1 252535894 HCKYFMGOGHUUTC-UHFFFAOYSA-N 339.464 4.705 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1C 332129962 BSTFFQHPNXMBSZ-DAYGRLMNSA-N 340.471 4.572 0 50 EJAA Clc1ccc2c(c1)C[C@@H](NCc1cccc(CC3CCC3)c1)C2 1474292579 MTRDIASMOPQDTL-NRFANRHFSA-N 325.883 4.940 0 50 EJAA Clc1ccc(Oc2ccc(NC[C@@H]3[C@@H]4CCOC[C@@H]43)cc2)cc1 2325863263 BTFPAZVTYYGBRE-OTWHNJEPSA-N 329.827 4.827 0 50 EJAA COc1cccc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)c1OC 276241 DNGDLOYNSJWQLP-KRWDZBQOSA-N 333.387 4.597 0 50 EJAA Cc1ccc(C)c(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c1 344138 WUQPIACXRPHRQP-UHFFFAOYSA-N 329.403 4.894 0 50 EJAA O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccccc2)cs1 614960 ZRZYKWOLEVUSQZ-UHFFFAOYSA-N 346.814 4.784 0 50 EJAA Cc1ccc2oc(C(=O)N(C)Cc3cccc4cnccc34)c(C)c2c1 12588739 VCSKJSYTSLFCDS-UHFFFAOYSA-N 344.414 4.870 0 50 EJAA CCOc1ccccc1-c1nc(CN(C)C(C2CC2)C2CC2)c(C)o1 14948511 DVZNLKPKKFEYAS-UHFFFAOYSA-N 340.467 4.669 0 50 EJAA C[C@H]1CCN(C(=O)Nc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 118974926 AHCMTPMHPUREBV-BLLLJJGKSA-N 349.356 4.715 0 50 EJAA CC(C)c1noc(-c2ccc(NC(=O)N(C)[C@H](C)C3(C)CC3)cc2)n1 175977515 FWUKWEZFMBFLTN-CYBMUJFWSA-N 342.443 4.512 0 50 EJAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(-c3cccnc3)cc1)C2 1704297900 AYPSNRDFKRXNBF-YADHBBJMSA-N 336.479 4.530 0 50 EJAA CC(C)(CNC(=O)N1CCCC2(CCC2)C1)Cc1cccc(Cl)c1 1875342502 USYOBPKKOHKTDJ-UHFFFAOYSA-N 348.918 4.884 0 50 EJAA O=c1n(Cc2ccc(C3CCCCC3)cc2)ccn1-c1ccccc1 2325863561 NYCVQWFSZLDPQG-UHFFFAOYSA-N 332.447 4.735 0 50 EJAA Cc1cc(Nc2ccc3c(c2)OCCO3)c2cc(Cl)ccc2n1 136913 GMBAOUBLIFVPAH-UHFFFAOYSA-N 326.783 4.711 0 50 EJAA CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 282589 GVVLHKRUHHNBIB-UHFFFAOYSA-N 336.387 4.883 0 50 EJAA CCc1cccc(C)c1NS(=O)(=O)c1ccc2ccccc2c1 581214 IHWFUJYZSZHASN-UHFFFAOYSA-N 325.433 4.511 0 50 EJAA CCc1ccc(-c2nc3ccccc3c(C(=O)NC3CC3)c2C)cc1 1073625 HDOMFHNRKJUJGA-UHFFFAOYSA-N 330.431 4.665 0 50 EJAA Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 2324058 VRAVGONSKLKQHA-SFHVURJKSA-N 345.442 4.851 0 50 EJAA CCOc1ccc(OCCCCOc2ccccc2C(C)=O)cc1 2985734 YJOOGRAZZNYRJP-UHFFFAOYSA-N 328.408 4.526 0 50 EJAA COc1cc(NC(=O)c2ccc3ccccc3c2)c(OC)cc1Cl 4740793 ZSIBOFQOAWYEPS-UHFFFAOYSA-N 341.794 4.763 0 50 EJAA COc1cccc([C@H]2CCCN2Cc2nc(-c3ccco3)oc2C)c1 12431027 QTXNPZMUSQHGKM-GOSISDBHSA-N 338.407 4.589 0 50 EJAA CCC[C@H]1C[C@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O 17836957 AWWCQCQLZUISCS-SCLBCKFNSA-N 330.453 4.774 0 50 EJAA O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1Cl 36620391 MCWDEXFTMSCOHP-QGZVFWFLSA-N 332.806 4.526 0 50 EJAA OC(c1ccccc1)(c1ccccc1)c1ccccc1Br 44123057 YAGRKBUHJZBWKN-UHFFFAOYSA-N 339.232 4.733 0 50 EJAA CCCCN(C(=O)OC(C)(C)C)c1cccc(Br)c1 216313709 DHSJZYQBFRBFBU-UHFFFAOYSA-N 328.250 4.991 0 50 EJAA CSc1c(F)cccc1C(=O)Nc1cnccc1-c1ccccc1 241262005 LAMRXIMWPSFART-UHFFFAOYSA-N 338.407 4.862 0 50 EJAA CC(=O)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 261507798 MLDBMGVOGHLZQN-UHFFFAOYSA-N 335.400 4.566 0 50 EJAA O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC2(CC2)c2ccccc21 473846239 YKVODSLIVBMCDW-UHFFFAOYSA-N 335.300 4.537 0 50 EJAA CCC[C@H](C(=O)Nc1ccc(OC(C)C)cc1F)c1ccccn1 773880910 QFEWEGBIAQZXEL-HNNXBMFYSA-N 330.403 4.530 0 50 EJAA Cc1ccc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)cn1 1875328854 OXADENBYHSHQGV-INIZCTEOSA-N 328.419 4.878 0 50 EJAA Cc1cc(C(=O)NC2(C3CC3)CCCCC2)nn1C1CCCCC1 1875356942 SORDVHAPYBKTGW-UHFFFAOYSA-N 329.488 4.539 0 50 EJAA CC[C@@H]1c2ccccc2CN1C(=O)[C@]1(c2ccccc2)CCCCO1 2325828823 SARAYFOKDDLXMK-IFMALSPDSA-N 335.447 4.576 0 50 EJAA CC[C@H]1c2ccccc2CN1C(=O)[C@]1(c2ccccc2)CCCCO1 2325828825 SARAYFOKDDLXMK-RBBKRZOGSA-N 335.447 4.576 0 50 EJAA COc1ccc(C)cc1NC(=O)NCc1ccc(Cl)cc1Cl 401796 RGFNAQIMGVBACF-UHFFFAOYSA-N 339.222 4.632 0 50 EJAA Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCCCC3 503724 BXZDHKDNEVEAFN-UHFFFAOYSA-N 341.505 4.835 0 50 EJAA Cc1ccc(-c2cnn3c(N4CCCCC4)cc(C(C)(C)C)nc23)cc1 5346505 GDTSWGBENAJSTO-UHFFFAOYSA-N 348.494 4.993 0 50 EJAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccsc3)C2)c1 20540163 NLHBBDNRJWIDIS-MRXNPFEDSA-N 341.455 4.657 0 50 EJAA Oc1cccc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c1 71715283 GCYCYAPRMBUXMA-MRXNPFEDSA-N 331.406 4.515 0 50 EJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CSc1nc3ccccc3o1)C2 101850630 GCRQOKVKSBBEHO-ODYMNIRHSA-N 345.464 4.678 0 50 EJAA CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253497471 XTAARPJDFFXHGH-BPADXHFQSA-N 346.511 4.920 0 50 EJAA biogenic C[C@@H](Cc1ccc2c(c1)CCCC2)NCC[C@@](C)(O)C1CCCCC1 2325842479 ZUYBBYXNPXEOAT-FDDCHVKYSA-N 343.555 4.807 0 50 EJAA O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 58605 QYRXJSMRLPXPHS-UHFFFAOYSA-N 326.355 4.516 0 50 EJAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(F)cc1 307109 AZCHGUYGRTVTGQ-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA Cc1ccc(Cl)cc1-n1ncc2c(NC3CCCCC3)ncnc21 4354735 NSBHRYJDNAEKNQ-UHFFFAOYSA-N 341.846 4.522 0 50 EJAA COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(Cl)c2C)c1 5061171 MZSAOFSDKBULGX-GFCCVEGCSA-N 348.830 4.548 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)Nc1ccc(CN2CCCC2)cc1 13325240 CGGMSLYMTCNAOU-UHFFFAOYSA-N 343.858 4.888 0 50 EJAA CCCCSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 16275983 FFDFEDLNUWRCDL-UHFFFAOYSA-N 338.480 4.784 0 50 EJAA c1cc(-c2ccc3oc(-c4cccnc4)nc3c2)cc(-c2cc[nH]n2)c1 20906379 YWMVOCZKEQZRTB-UHFFFAOYSA-N 338.370 4.947 0 50 EJAA CC(C)C[C@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CC(C)C 34303730 UAFXUVUVOTXFND-HOTGVXAUSA-N 334.456 4.869 0 50 EJAA in-vitro Cc1nc2ccc(C(=O)N3CCCCC[C@H]3c3ccco3)cc2nc1C 97323970 UPAZMRJROYODOP-IBGZPJMESA-N 349.434 4.597 0 50 EJAA Clc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169780173 WHUUJDNQNVNGAJ-UHFFFAOYSA-N 349.781 4.591 0 50 EJAA C[C@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccncc1F 340514400 LQCPAKZUJANKRP-AWEZNQCLSA-N 336.414 4.594 0 50 EJAA CC1(C)CN(C(=O)c2conc2-c2ccccc2)C[C@@H]1c1ccccc1 426712154 OBGDTYQHCAIEMG-LJQANCHMSA-N 346.430 4.607 0 50 EJAA C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(Cl)c1 2325870873 SOBREIGELICNBT-SNVBAGLBSA-N 333.218 4.966 0 50 EJAA COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1Cl 128557 XLXJDPXPIGUNOS-UHFFFAOYSA-N 347.842 4.907 0 50 EJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)CC2=O 310350 SIJRAWONRGAXTG-SJORKVTESA-N 340.250 4.717 0 50 EJAA O=C(Nc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 409721 VNVWGWNBVMOXDC-UHFFFAOYSA-N 328.843 4.827 0 50 EJAA Cc1ccc(-c2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 524896 YMFOGQWNWPIQJK-UHFFFAOYSA-N 336.398 4.920 0 50 EJAA O=C(COc1cccc2ccccc12)Nc1ccc(F)c(Cl)c1 616821 ASYSGKKVJULTRQ-UHFFFAOYSA-N 329.758 4.650 0 50 EJAA CCOc1ccc(NC(=S)N[C@H](C)c2ccc(OCC)cc2)cc1 13752093 JJVRZQVJPKVTJZ-CQSZACIVSA-N 344.480 4.532 0 50 EJAA COc1cccc(CNC2CCC(c3ccccc3)CC2)c1OC 16663303 UJIIIODZDAWDSO-UHFFFAOYSA-N 325.452 4.520 0 50 EJAA C[C@@H](n1ccnc1-c1ccsc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216498102 JRNIULLSMXQTJX-BYVUDNFTSA-N 328.481 4.504 0 50 EJAA C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252457223 OKZFARHJYYALPG-YYFQZIEXSA-N 337.916 4.762 0 50 EJAA Cc1ccsc1-c1ccc(C(=O)N2CCOC[C@H]2CC(C)C)cc1 426707429 MKMMJQSIQHTVOU-GOSISDBHSA-N 343.492 4.611 0 50 EJAA c1cncc([C@H]2N(c3ncnc4c3oc3ccccc34)CC23CCC3)c1 1336712141 FCCHFIYGPMMTPB-LJQANCHMSA-N 342.402 4.503 0 50 EJAA O[C@]1(c2ccccc2)CCC[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@H]21 1704300830 XITFAJBYNCFVJC-JZWVFAODSA-N 347.458 4.553 0 50 EJAA c1ccc(CCN(CCc2ccccc2)C[C@@H]2CCCCCO2)cc1 1875344595 MHXZQMMSOPHLOX-QHCPKHFHSA-N 337.507 4.733 0 50 EJAA CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(C)c(C)s2)c1C 2325874127 BPTIXZLTUHBFJJ-UHFFFAOYSA-N 330.449 4.850 0 50 EJAA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 104536 JGIGOEMPBRCXLT-FQEVSTJZSA-N 332.378 4.905 0 50 EJAA Cc1ccc(-c2cc(-c3cccc(Br)c3)[nH]n2)c(O)c1 265255 KHNMWEACJGZVLT-UHFFFAOYSA-N 329.197 4.520 0 50 EJAA COc1ccc(Br)cc1CNc1ccccc1SC 279604 VUVKAWSVOOHXRP-UHFFFAOYSA-N 338.270 4.792 0 50 EJAA Cc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)c1 316059 MVMNEGCYNZTJKE-UHFFFAOYSA-N 334.448 4.583 0 50 EJAA COc1ccc(OC)c(NC(=O)Nc2cccc(Cl)c2Cl)c1 400304 UDZGPBKPBQZZGJ-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA Cc1c(O[C@H]2CCCCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 406875 UPBMBUBREXTRFS-FQEVSTJZSA-N 348.398 4.659 0 50 EJAA biogenic Cc1cc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c2cccc(C)c2n1 453392 ROTBDOLLLDITCV-UHFFFAOYSA-N 347.414 4.508 0 50 EJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 1125641 AWSRIYFUCPJMGS-INIZCTEOSA-N 337.463 4.731 0 50 EJAA COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2SC)c1 43318752 XAMRAHZDVBGASF-QGZVFWFLSA-N 342.464 4.786 0 50 EJAA COc1ccc(-c2ccccc2NC(=O)N2CCC(F)(F)CC2)cc1 96152706 GAJTUYMTKOGBLC-UHFFFAOYSA-N 346.377 4.625 0 50 EJAA CC(C)c1nc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cs1 171436854 RUYVIVPXGNCZDM-UHFFFAOYSA-N 342.386 4.558 0 50 EJAA Fc1ccc(COc2cccc(-c3n[nH]cc3-c3ccncc3)c2)cc1 299819823 DNZHPYAAJMOOPF-UHFFFAOYSA-N 345.377 4.857 0 50 EJAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(Cl)c1 459577 YAQKYPVLFRIFNT-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1cccs1 554803 LQLMMBMHZKZLBE-HNNXBMFYSA-N 338.457 4.801 0 50 EJAA COc1ccc(Cc2nc3ccccc3n2CCc2ccccc2)cc1 617997 MWLDOIPKICISHO-UHFFFAOYSA-N 342.442 4.878 0 50 EJAA CC1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1 4998921 ZOHUZUMLNZNXFC-UHFFFAOYSA-N 342.870 4.758 0 50 EJAA Cc1cccc2c(C(=O)NCc3ccco3)cc(-c3ccccc3)nc12 6860939 VQFXCACORVIFQX-UHFFFAOYSA-N 342.398 4.733 0 50 EJAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cc3ccccc3o2)C1 12581639 MDZQBHJKGFYGTD-INIZCTEOSA-N 339.460 4.898 0 50 EJAA Cc1cc(F)ccc1NC(=S)Nc1cccc(C(F)(F)F)c1 13321292 IKVKYOMYWUUCRE-UHFFFAOYSA-N 328.334 4.962 0 50 EJAA O=C(Nc1ccc(Cl)cc1)[C@@]1(c2ccccc2)CC1(Cl)Cl 22205350 FBMUVXLVZVSVDQ-HNNXBMFYSA-N 340.637 4.794 0 50 EJAA CCNC(=O)NCCCC/C=C\CCCCCCCCCC(=O)O 43073282 OUFBVXMGWWCVFO-CLFYSBASSA-N 340.508 4.628 0 50 EJAA in-vivo Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](C)c2cccs2)[nH]n1 67473147 IAHANZAXEFZISV-CQSZACIVSA-N 334.448 4.919 0 50 EJAA CC(C)Cn1cncc1CN1CCC[C@H](CCc2ccc(F)cc2)C1 72153973 GAHAWWPHPAPNQE-LJQANCHMSA-N 343.490 4.523 0 50 EJAA O=C(c1cccc2cnccc12)N1CCCC[C@@H]1c1ccc(F)cc1 77287875 PNJBQYXFRNYKQV-HXUWFJFHSA-N 334.394 4.741 0 50 EJAA Cc1ccc2cc(C(=O)N3CCC[C@H]3c3cccc(N(C)C)c3)[nH]c2c1 170630460 ZKSDOAODLOEQBN-NRFANRHFSA-N 347.462 4.520 0 50 EJAA CCCc1ncc(C(=O)Oc2ccc(-c3c(C)noc3C)cc2)s1 252482426 DFBRXGKEXBUIPZ-UHFFFAOYSA-N 342.420 4.587 0 50 EJAA CN(Cc1ccon1)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C 299795053 LDBHXRQAYKNUBT-UHFFFAOYSA-N 343.471 4.934 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4nocc4C)cc3)sc2c1 1349294365 KHQCUNCNJFEHCD-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA CC[C@@H](c1cccnc1)N(C)Cc1ccc(F)c(C(F)(F)F)c1 1506407855 SMPASYWWZGRWAH-INIZCTEOSA-N 326.337 4.823 0 50 EJAA CC(C)C(=O)Nc1ccc(OCCCOc2ccc(Cl)cc2)cc1 1860135416 BTVUVGRCZPYSAK-UHFFFAOYSA-N 347.842 4.782 0 50 EJAA COc1ccc([C@@H](Nc2nc3cc(F)cc(F)c3o2)C(C)C)cc1 1875343246 VPPOZIZGJHNTID-INIZCTEOSA-N 332.350 4.924 0 50 EJAA Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2Br)c1 370965 KKNFCXADGGSAHU-ZDUSSCGKSA-N 332.241 4.557 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1C 423609 VIRPUBRYXBRWTB-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA Cc1ccc(Nc2nc([C@H]3C[C@H](CC(C)C)C(=O)O3)cs2)cc1 452119 KIDKKXHDUVCMNA-XJKSGUPXSA-N 330.453 4.845 0 50 EJAA CCCOc1cccc(C(=O)Nc2ccc(Br)cc2C)c1 2997308 MFROFVPMUFHEMY-UHFFFAOYSA-N 348.240 4.799 0 50 EJAA CC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 4542409 PAYRGZZXVZZOBX-UHFFFAOYSA-N 344.414 4.569 0 50 EJAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccs1 4842189 FODMWKJNNMEVPR-UHFFFAOYSA-N 335.388 4.512 0 50 EJAA CCC[C@H]1Oc2ccc(OCC)cc2[C@@H]2CC(c3ccccc3)=NN21 6045656 XMSMRPZYNCKPPS-PZJWPPBQSA-N 336.435 4.755 0 50 EJAA CCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 6783344 VPICRSGZBZXBEB-UHFFFAOYSA-N 345.255 4.832 0 50 EJAA Cc1cc(NCC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 7636203 OMBUVADTKQBPGE-UHFFFAOYSA-N 348.372 4.791 0 50 EJAA Cc1c(-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)oc2ccccc12 65505924 JCUNGEVQEITLCW-KRWDZBQOSA-N 343.430 4.806 0 50 EJAA COc1ccc2c(c1)CCN(Cc1ccc([C@@H]3CCCCO3)s1)C2 215276502 VHRYLGZTKOPQRB-IBGZPJMESA-N 343.492 4.557 0 50 EJAA C1=CC[C@@H](CN2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 820403444 PAFHJBJGROHXQW-WOJBJXKFSA-N 335.495 4.536 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)c1sc2cc(F)ccc2c1Cl 35374 KIAJFLKVVVZUDD-UHFFFAOYSA-N 349.770 4.675 0 50 EJAA Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1 122236 LYKXFKUSOXETGV-UHFFFAOYSA-N 334.604 4.789 0 50 EJAA in-vivo C[C@H](C(=O)O)c1cc(C(=O)c2ccccc2)sc1-c1ccccc1 186602 QQHYIPCEZGPGNG-ZDUSSCGKSA-N 336.412 4.834 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccnc2)cc1 233545 LXWQMUPFABBVQK-OAQYLSRUSA-N 342.442 4.643 0 50 EJAA Nc1c(C(=O)c2ccccc2)sc2nccc(Nc3ccccc3)c12 297494 YHNZYJXWZXAPNF-UHFFFAOYSA-N 345.427 4.853 0 50 EJAA CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 314021 HCGWTECXVMDAQX-UHFFFAOYSA-N 329.856 4.911 0 50 EJAA CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc3ccccc3c12 407472 KFTQNZWSSWGVIF-UHFFFAOYSA-N 349.411 4.562 0 50 EJAA Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1 2001313 YWBVHLJPRPCRSD-UHFFFAOYSA-N 329.321 4.738 0 50 EJAA biogenic,in-vitro c1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)cc1 2878043 SJKZBHNMZVYLKA-UHFFFAOYSA-N 328.400 4.673 0 50 EJAA CC[C@@H](C)N(Cc1ccsc1)Cc1cccn1-c1cccnc1 55244461 ISQYJYMLDCFIMI-MRXNPFEDSA-N 325.481 4.735 0 50 EJAA c1ccc([C@@H](Cn2ccnc2-c2cccnc2)N2CCCCCC2)cc1 71747018 JWVCZFJLQHSLCT-OAQYLSRUSA-N 346.478 4.562 0 50 EJAA Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc3ccc(C)cc3[nH]2)cc1 170626437 SYTXZKBMLJRLOW-IBGZPJMESA-N 332.447 4.632 0 50 EJAA Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)o1 225417087 CAJAREAUWWJJOO-OAHLLOKOSA-N 326.440 4.523 0 50 EJAA C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 726334407 YVOGJCURXKEVAX-SECBINFHSA-N 335.190 4.788 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)[C@H](C)c2ccc(F)cc2F)c1C1CC1 1336228636 ONEPZEFKDWFJKP-NWDGAFQWSA-N 347.409 4.752 0 50 EJAA c1cc(CNC[C@@H]2CCc3ccccc3C2)cc(-c2ccncc2)c1 1875264699 GDSYEPSATBUUOJ-LJQANCHMSA-N 328.459 4.643 0 50 EJAA c1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1 204121 JYPYYFFRWXFBTB-UHFFFAOYSA-N 327.387 4.506 0 50 EJAA Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1Cl 220036 FOEXCKIKBYLKJE-UHFFFAOYSA-N 349.305 4.748 0 50 EJAA CCc1cccc2ccc(S(=O)(=O)Nc3ccccc3)c(CC)c12 308837 HEPODINYQIYGMK-UHFFFAOYSA-N 339.460 4.765 0 50 EJAA Cc1ccc2cccc(OC(=O)c3cccc(Br)c3)c2n1 384164 UWZSHMAQKDUSHF-UHFFFAOYSA-N 342.192 4.525 0 50 EJAA Cc1cc(Br)c(OC(=O)Nc2ccc(F)cc2)cc1C 398373 DRBCXKWAOBSNIX-UHFFFAOYSA-N 338.176 4.816 0 50 EJAA ClC1(Cl)[C@H]2[C@H]1C[C@@H]1[C@H]([C@@H]3[C@@H]2C3(Cl)Cl)C1(Cl)Cl 169615885 LXFGXVWBHKKGFX-HYBKHIPXSA-N 340.892 4.650 0 50 EJAA O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245240204 NLTXPOMUPHQBKJ-KHMAMNHCSA-N 342.241 4.620 0 50 EJAA COCCC[C@H](C)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 272488677 HMBCUUUIGDPOFJ-OXJNMPFZSA-N 325.452 4.566 0 50 EJAA Cc1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2Cl)n1 368071511 ULQVRULRONMRRZ-IBGZPJMESA-N 342.870 4.730 0 50 EJAA Cc1nc(-c2cccc(NC(=O)c3ccc4cnccc4c3)c2)oc1C 1351073858 VCGWVVAMYSUVJU-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1cc(C)nc(SCc2ccc(C(=O)c3ccccc3)cc2)n1 107680 ZXFDLMHEGUJEEA-UHFFFAOYSA-N 334.444 4.617 0 50 EJAA CCc1cccc(CC)c1NC(=O)c1ccc(Br)cc1 145136 UKMDKMKGYIFDQB-UHFFFAOYSA-N 332.241 4.826 0 50 EJAA Cc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 209418 IZVKPGSMOAIUJO-UHFFFAOYSA-N 347.443 4.956 0 50 EJAA aggregator CCN1CCC(N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 219948 VMIGEQHFJFTJQO-HXUWFJFHSA-N 328.887 4.503 0 50 EJAA COc1cc(NC(=O)c2ccc(C)c(Cl)c2)c(OC)cc1Cl 858505 OZMNWCQWHJBJLW-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 858564 ANAAVJGMQGJFBK-UHFFFAOYSA-N 328.843 4.891 0 50 EJAA C[C@H]1CN(Cc2cccc3ncccc23)Cc2cc(Cl)ccc2O1 12167752 IDYYNGCOKPXKFY-AWEZNQCLSA-N 338.838 4.671 0 50 EJAA Cc1cc(C)c(NC(=O)/C=C2\NC(C)(C)Cc3ccccc32)c(C)c1 18038419 KNLKHGWGUYUDAK-UNOMPAQXSA-N 334.463 4.516 0 50 EJAA Cc1cc(C(F)(F)F)c2c(C)nn(Cc3ccccc3Cl)c2n1 20604455 OUGOMRACSSONBD-UHFFFAOYSA-N 339.748 4.769 0 50 EJAA FC(F)(F)CCCn1ccc(-c2cccc(-c3ccccn3)c2)n1 23542561 DZNPOMKIZDZFAD-UHFFFAOYSA-N 331.341 4.955 0 50 EJAA COC[C@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1 299802690 NKOHOTLLBOCZBZ-LBPRGKRZSA-N 346.883 4.741 0 50 EJAA c1ccc2c(c1)ccn2CCCNCc1ccc([C@H]2CCCO2)s1 952866979 HRZCSAFVUALKST-LJQANCHMSA-N 340.492 4.734 0 50 EJAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCC2C3CC4CC(C3)CC2C4)o1 1875342105 XVNPYAWIAFMJQK-WCKJXLEYSA-N 341.495 4.524 0 50 EJAA CCn1c2ccccc2c2cc(CN(C)CCc3ccccn3)ccc21 271507 JUWLWCCGZGKBAA-UHFFFAOYSA-N 343.474 4.884 0 50 EJAA Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 530879 DLEBWZGOIFCNCZ-UHFFFAOYSA-N 340.235 4.674 0 50 EJAA COc1ccc(C)cc1NC(=O)Nc1cc(C(C)(C)C)ccc1OC 610063 HLQZWSHVAJRNTB-UHFFFAOYSA-N 342.439 4.954 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(F)c1 1075607 ONVFKAUWLORNTE-UHFFFAOYSA-N 341.773 4.870 0 50 EJAA O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 4850811 ZASVVESFIMIFRX-HNNXBMFYSA-N 340.766 4.518 0 50 EJAA COc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1OCc1ccccc1 4987719 RVJRKJHWOFRELA-QZTJIDSGSA-N 339.479 4.752 0 50 EJAA CCCn1nc(C)c2c(C(F)F)cc(-c3ccccc3OC)nc21 20615400 CGFNWAFPTQEONZ-UHFFFAOYSA-N 331.366 4.763 0 50 EJAA Cc1[nH]c2ccccc2c1C(=O)OCc1nc(-c2ccccc2)oc1C 170650089 CJNHIRAWWCZWDR-UHFFFAOYSA-N 346.386 4.797 0 50 EJAA C[C@@H](N[C@H]1CCCc2cccnc21)c1ccccc1OC(F)(F)F 927062827 OEGSVRQZOUXQKV-DOMZBBRYSA-N 336.357 4.708 0 50 EJAA CCCc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 107090 DKEOROCYVVMNAD-MRXNPFEDSA-N 348.421 4.877 0 50 EJAA O=C(Nc1cccc(Br)c1)c1csc2c1CCCC2 194898 OMZBFVFYFLVQJN-UHFFFAOYSA-N 336.254 4.642 0 50 EJAA Cc1cc(Br)ccc1NC(=O)Cc1ccc(Cl)cc1 456739 HHKMLTFSICPBER-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA O=C(NCCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 457032 HOAMRVPETNVKSV-NRFANRHFSA-N 347.483 4.879 0 50 EJAA COc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1Cl 555035 UMSMJLGJPSGXQR-LBPRGKRZSA-N 335.856 4.776 0 50 EJAA C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 1085397 USWHVRKVZGKUPV-SFHVURJKSA-N 329.443 4.963 0 50 EJAA Cc1c(Cl)cccc1NC1CCN(C(=O)c2ccc(F)cc2)CC1 4817060 WEOILDWTNQMHGN-UHFFFAOYSA-N 346.833 4.504 0 50 EJAA CCn1ccnc1-c1cccc(NC(=O)c2cccc(Cl)c2F)c1 129095629 HLPSGEIWHGAXMU-UHFFFAOYSA-N 343.789 4.615 0 50 EJAA CCC(CC)n1nc(C)cc1NC(=O)N[C@@H](CC)c1ccc(C)cn1 299798835 UGUIZSKICVFRCW-INIZCTEOSA-N 343.475 4.529 0 50 EJAA COCCC[C@H]1CCCN(C(=O)c2ccc(-c3ccsc3)cc2)C1 426728229 HMTHJSPVNFKROR-MRXNPFEDSA-N 343.492 4.694 0 50 EJAA CCOc1cc(CN2CCC3(C=Cc4ccccc43)CC2)ccc1OC 217223 MAISTHZGAFFDDY-UHFFFAOYSA-N 349.474 4.655 0 50 EJAA Fc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 315674 CNTPIQKRQCCCGL-UHFFFAOYSA-N 334.354 4.718 0 50 EJAA COc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 317480 VVKHMCQOHNMBQD-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(C)cc1Cl 613988 NUBCXTPUMBXMAD-UHFFFAOYSA-N 330.815 4.639 0 50 EJAA COc1ccc(Cl)cc1C(=O)N(Cc1ccccc1)C(C)(C)C 617994 POSPGHGYUMOPGC-UHFFFAOYSA-N 331.843 4.790 0 50 EJAA CCSc1ccccc1C(=O)Nc1nc2ccc(C)cc2s1 2853305 MODYVIPCGHKDLQ-UHFFFAOYSA-N 328.462 4.969 0 50 EJAA CCOc1ccccc1NC(=O)c1c2c(nc3ccccc13)CCCC2 4542250 JWZCVBGUPHLMEO-UHFFFAOYSA-N 346.430 4.765 0 50 EJAA O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCCC2)cc1 10362793 LDTCLJPBRSFTPI-UHFFFAOYSA-N 328.843 4.578 0 50 EJAA Cc1ccc2nc(CN3CCC[C@H]3c3cc(C(C)C)on3)[nH]c2c1C 67908375 CSBIRWFZBNTTRU-KRWDZBQOSA-N 338.455 4.628 0 50 EJAA Cc1coc2ccc(NC(=O)N3CCC(c4nccs4)CC3)cc12 253431994 VHURVHPWFCWVER-UHFFFAOYSA-N 341.436 4.609 0 50 EJAA O=C(Nc1cccc(-c2ncco2)c1)N1CCC=C(c2ccccc2)C1 375438398 OAMVMOPNZNOZOE-UHFFFAOYSA-N 345.402 4.663 0 50 EJAA Cc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 38366 CSAKPDAUAYJLDY-UHFFFAOYSA-N 332.403 4.756 0 50 EJAA Cc1c(Cl)cccc1NC(=S)NCCc1ccc(Cl)cc1 305855 DFBFIMGLDFNRJX-UHFFFAOYSA-N 339.291 4.831 0 50 EJAA Cc1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 455443 XRFGBJNFLZYQMB-UHFFFAOYSA-N 335.190 4.931 0 50 EJAA Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 460622 OSJWXADQRNJGKA-WEVVVXLNSA-N 334.188 4.549 0 50 EJAA CC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccco1 490635 FEFIQTAHTILAMN-LJQANCHMSA-N 337.419 4.638 0 50 EJAA biogenic Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1 1233400 MLWIKUBYNCVNOQ-MDZDMXLPSA-N 349.455 4.966 0 50 EJAA CC(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cn3)n2)c1 2862121 OOCHFNLDDBDATH-UHFFFAOYSA-N 344.827 4.561 0 50 EJAA CCOc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 2873244 APYVOXUULXDBQD-UHFFFAOYSA-N 325.339 4.737 0 50 EJAA CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 4133154 DTKVSVBSSIOTDD-YOEHRIQHSA-N 332.856 4.927 0 50 EJAA Cc1cc(N[C@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 5576301 FAUYABAGAKLIGZ-MRXNPFEDSA-N 328.419 4.878 0 50 EJAA Cc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)ccc1Br 15837992 DJFGWRZUEARNLE-CQSZACIVSA-N 349.228 4.720 0 50 EJAA Cc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)o1 16579939 KJECJGKOZCBUCI-UHFFFAOYSA-N 332.812 4.926 0 50 EJAA CCc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 64985113 CSRGQQKMFZCTPJ-KRWDZBQOSA-N 327.428 4.729 0 50 EJAA CC(C)(C)[C@@H]1COC(C2(C3=N[C@H](C(C)(C)C)CO3)CCCCC2)=N1 215132716 FKMZKCPMCVOKEV-GJZGRUSLSA-N 334.504 4.624 0 50 EJAA CCn1c(=O)n(Cc2ccc(C3CCCCC3)cc2)c2ccccc21 2325864780 ZQPCJYDWSSFXLL-UHFFFAOYSA-N 334.463 4.919 0 50 EJAA CC(C)CNC(=O)C[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 226879 AGSRGDSSSTYNSQ-FQEVSTJZSA-N 347.458 4.840 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1Cl 271374 AHDRVSNMXFKIGO-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA COc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 621336 OFMYWYUDLGEQIW-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA O=Cc1c(SCc2cccc(C(F)(F)F)c2)nc2sccn12 1400668 XGUNBEGAMXWLEV-UHFFFAOYSA-N 342.367 4.519 0 50 EJAA Cc1c(OCc2ccccc2F)ccc2c3c(c(=O)oc12)CCCC3 2954710 ULMAXSUAYHIACX-UHFFFAOYSA-N 338.378 4.698 0 50 EJAA COc1ccccc1OCCCOc1cccc(C(F)(F)F)c1 2985080 QJCAAPWAAQYSEE-UHFFFAOYSA-N 326.314 4.562 0 50 EJAA O=C(O)c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc12 4241799 ISZBWDZOXRAFRV-UHFFFAOYSA-N 346.155 4.502 0 50 EJAA in-vitro Cc1ccc(C)c(-n2c(S)nnc2CSCc2ccccc2)c1 17071475 RZWVLVLKXBQZPQ-UHFFFAOYSA-N 341.505 4.606 0 50 EJAA Oc1cccc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)c1 65525943 OFGAZISLNQRDED-UHFFFAOYSA-N 341.414 4.560 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(Br)cc2)C1 65731434 WRSHWNCUNYWQBB-CYBMUJFWSA-N 340.261 4.564 0 50 EJAA C(=C/c1ccccn1)\c1ccc(-n2ccnc2[C@@H]2CCCCO2)cc1 67677952 DZEHWMGTGFCXKP-OSICKASQSA-N 331.419 4.679 0 50 EJAA C[C@@H](O)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705018 YHFHYHZNLCEAAP-CQSZACIVSA-N 327.468 4.667 0 50 EJAA in-vitro FC(F)(F)c1cccc(-c2ccc(CNc3nnc(C4CC4)o3)o2)c1 180524323 OVESMTGIZCSLFM-UHFFFAOYSA-N 349.312 4.838 0 50 EJAA O=C(Nc1cccc(C(F)F)c1)c1sccc1Br 195421873 FWYQYOYIZQVHNZ-UHFFFAOYSA-N 332.169 4.701 0 50 EJAA Cc1cc(-c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc(C)c1O 436731411 OSEHKWOJUNJWCM-SECBINFHSA-N 340.448 4.511 0 50 EJAA Cc1ccc(-c2cnccn2)cc1N[C@@H](C)CCCc1cccnc1 2325750931 CELPUWLAUMIGSK-KRWDZBQOSA-N 332.451 4.670 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 273855 ABBLDJYIOUVXKT-UHFFFAOYSA-N 330.693 4.883 0 50 EJAA CCCC(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1 472519 AHCCKVKBIWMZPQ-UHFFFAOYSA-N 337.448 4.678 0 50 EJAA Cc1cc(OCc2c(F)cccc2Cl)c2c(C)cc(=O)oc2c1 2840419 LPRHWAPBKAOCRO-UHFFFAOYSA-N 332.758 4.781 0 50 EJAA COc1cccc(-n2c([C@@H]3C[C@@H]3c3ccc(C)cc3)n[nH]c2=S)c1 6533851 RZLCWCPSHYSWNR-IAGOWNOFSA-N 337.448 4.518 0 50 EJAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@H]1c1cccc(F)c1 21525423 CNEOBJLQUOWMNG-HNNXBMFYSA-N 342.395 4.520 0 50 EJAA CC[C@@H](O)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 95726675 ISBQGIMPMGWASY-QGZVFWFLSA-N 343.426 4.796 0 50 EJAA in-vitro Cc1ccnc2[nH]c(CN(C)[C@@H](C)c3ccc(Cl)cc3Cl)nc12 170594535 NRNRYNSGLRRMED-NSHDSACASA-N 349.265 4.766 0 50 EJAA C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1c1ccsc1 252265772 OLBBZAMRFQROGV-AAEUAGOBSA-N 331.466 4.758 0 50 EJAA CCOC1CC2(CCN(Cc3cnc(-c4ccc(C)cc4)s3)C2)C1 289611814 LEGAIWKRUGCSSZ-UHFFFAOYSA-N 342.508 4.510 0 50 EJAA CSC1(SC)CCOc2c(Cl)cc(Br)cc21 394501797 BIZYRFYLXDJARU-UHFFFAOYSA-N 339.707 4.764 0 50 EJAA COC[C@@H]1CCCN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC1 857531500 INDJZUYNRWLYBA-LJQANCHMSA-N 345.527 4.582 0 50 EJAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1cccn1C1CC1 952978908 TYVYHVDHUWRYNX-UHFFFAOYSA-N 330.859 4.919 0 50 EJAA Cc1cccc(Nc2nc(Cl)nc(Nc3cccc(C)c3)n2)c1 69423 CJURHQCDXDUZIA-UHFFFAOYSA-N 325.803 4.629 0 50 EJAA COc1ccc(OC)c(C(=O)c2coc3c2cc(O)c2ccccc23)c1 444973 JJNKBDMMRLAFAP-UHFFFAOYSA-N 348.354 4.540 0 50 EJAA COc1ccccc1C(=O)Oc1ccc2c(c1)[C@H](C)CC(C)(C)N2 537030 NSUHOGVXTFHISN-CYBMUJFWSA-N 325.408 4.612 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1C 859754 BEOICMDRFRDLRB-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA CCCCOC(=O)c1cccc(NC(=O)c2c(C)cc(C)cc2C)c1 1801409 NUKAGGOHGRJCKX-UHFFFAOYSA-N 339.435 4.821 0 50 EJAA O=C(c1ccccc1-c1ccccc1)N1CCC(c2ccncc2)CC1 12117355 WHJDFUYFOZAOAR-UHFFFAOYSA-N 342.442 4.768 0 50 EJAA C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 12380919 FGEKDDAHXLCDKZ-SNVBAGLBSA-N 343.732 4.765 0 50 EJAA CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 12383087 APRYMTBTYOAPHE-UHFFFAOYSA-N 336.479 4.661 0 50 EJAA C[C@H](CCN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 19633069 HTIRYUDGMBVNBZ-OGECGYFKSA-N 334.507 4.511 0 50 EJAA Clc1cccc(-c2noc(-c3ccc(-c4cccnc4)nc3)n2)c1 72138684 CROMRMYPMLFNFY-UHFFFAOYSA-N 334.766 4.514 0 50 EJAA Cc1ccc(F)cc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72159356 NTGMGLQVOZNYJP-UHFFFAOYSA-N 332.382 4.685 0 50 EJAA c1ccc(-c2nc3n(n2)[C@]2(C[C@H]4CC[C@H]2C4)Nc2ccccc2-3)cc1 225350770 VNTHMCZVSXFJFH-HTZUNMPGSA-N 328.419 4.510 0 50 EJAA Cc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1 80675 DUEJIVTXASYYLL-UHFFFAOYSA-N 335.190 4.931 0 50 EJAA COc1ccccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 122406 REWYJGGSYOVLQA-UHFFFAOYSA-N 341.451 4.960 0 50 EJAA COc1ccc(Cl)cc1NC(=O)CSCc1cc(C)cc(C)c1 281452 DTGWPVZPSGMRQT-UHFFFAOYSA-N 349.883 4.837 0 50 EJAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc(Cl)c1 452366 OTQSUVFKULCRMS-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA Cc1c(OCc2ccccc2)ccc2c(C(F)(F)F)cc(=O)oc12 452644 YFFKEWNUDGMQSR-UHFFFAOYSA-N 334.293 4.699 0 50 EJAA COc1cc2c(cc1NC(=O)Cc1ccccc1)oc1ccccc12 4289816 BQSIPTKQTXNBIG-UHFFFAOYSA-N 331.371 4.776 0 50 EJAA COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1 4503119 JKHAFYXKXBSAOE-UHFFFAOYSA-N 334.371 4.590 0 50 EJAA CC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 4840672 FKZGOHDBFDAVFS-UHFFFAOYSA-N 333.387 4.721 0 50 EJAA O=C(Nc1c(Cl)cc(F)cc1Br)c1ccccc1F 170591104 HNCRNMLNCWUKKR-UHFFFAOYSA-N 346.558 4.633 0 50 EJAA CCCNc1ccc(Cl)cc1NC(=O)c1scnc1C1CC1 182445642 PNMSIWDMBXODKB-UHFFFAOYSA-N 335.860 4.748 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(Br)s2)C1 310030828 XRYNOGWXAPZUGZ-SNVBAGLBSA-N 346.290 4.625 0 50 EJAA Nc1nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2s1 675031721 YTLXZBYKKIEEEO-UHFFFAOYSA-N 325.220 4.764 0 50 EJAA O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccs1 134211 HJOUQRJTDKJRMI-UHFFFAOYSA-N 334.853 4.701 0 50 EJAA COc1ccc(-c2nnc3n2C2(CCCCC2)Cc2ccccc2-3)cc1 227197 HNFMNPZXRJWDLM-UHFFFAOYSA-N 345.446 4.836 0 50 EJAA biogenic COc1ccc(OC)c(NC(=O)Nc2c(Cl)cccc2Cl)c1 398198 WPGSRUMKGVTLRA-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA COc1ccc(C)cc1N(C)C(=S)Nc1ccc2ccccc2c1 399700 IZOQQRSXFDZTSD-UHFFFAOYSA-N 336.460 4.990 0 50 EJAA CC(=O)Nc1ccccc1NC(=O)c1ccccc1-c1ccccc1 618357 IRNZGELPMQOBJJ-UHFFFAOYSA-N 330.387 4.564 0 50 EJAA Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc2ccc(F)cc12 4191053 WOXUQHSEGYNOHL-UHFFFAOYSA-N 344.386 4.552 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CCCC1 4820423 WHOCDNAWWJSQLK-NHCUHLMSSA-N 337.463 4.892 0 50 EJAA COc1cccc(-n2c([C@@H]3C[C@H]3c3ccc(C)cc3)n[nH]c2=S)c1 6533837 RZLCWCPSHYSWNR-DLBZAZTESA-N 337.448 4.518 0 50 EJAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCc1ccccn1 13227928 KEKHXEOJQCJUPG-UHFFFAOYSA-N 344.720 4.545 0 50 EJAA COc1ccc(CCN(C)C/C=C(\C)CCC=C(C)C)cc1OC 23282191 DDHCGUUNSTXNGE-LDADJPATSA-N 331.500 4.871 0 50 EJAA CC(C)(C)OC(=O)Nc1ccc(Br)cc1C(F)(F)F 83502288 CPPNUIOGCQEMOY-UHFFFAOYSA-N 340.139 4.815 0 50 EJAA Cc1cc2cc[nH]c2cc1NC(=O)N1CCc2cc(Cl)ccc2C1 484786817 PPEXGJGXTXTSDR-UHFFFAOYSA-N 339.826 4.720 0 50 EJAA C[C@@H](c1ccc(Cl)nc1)N1CC(c2nc3ccccc3s2)C1 2325771760 ODCXHEUBYMGMMJ-NSHDSACASA-N 329.856 4.505 0 50 EJAA Cc1ccccc1[C@H](CC(C)C)NC[C@H](CO)Cc1ccc(F)cc1 2325842018 LVOHASNQGNURIX-KNQAVFIVSA-N 343.486 4.662 0 50 EJAA COc1ccc2ccccc2c1-c1nnc2ccc(C(F)(F)F)cn12 39125 QPFUXOOFPBYPOA-UHFFFAOYSA-N 343.308 4.577 0 50 EJAA CC(C)(C)OC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 347590 HBNAKKJUJYEGMD-QGZVFWFLSA-N 327.449 4.906 0 50 EJAA COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 432114 AEPJJSIKAPYQBL-WOJBJXKFSA-N 336.431 4.811 0 50 EJAA Cc1ccc(C)c(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 467668 BNELKQHKRZQYCK-UHFFFAOYSA-N 338.520 4.955 0 50 EJAA Cc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1C 2534677 VLOXDSCDAGPNNH-VQHVLOKHSA-N 330.225 4.718 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1 2877903 AUDMNFRPEZPOKT-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA Cc1cccc([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c1O 16212246 VZXOALWLOARDOC-OAQYLSRUSA-N 345.442 4.539 0 50 EJAA O=C(Nc1nc2ccccc2n1Cc1ccccc1)C1CCCCC1 51192425 ICBNVIWIZLASQS-UHFFFAOYSA-N 333.435 4.603 0 50 EJAA FC(F)(F)c1cnc(-c2csc(N3CCCCC3)n2)c(Cl)c1 263639663 CKJGJVCXKJHVPA-UHFFFAOYSA-N 347.793 4.868 0 50 EJAA C[C@H](O)c1cc(NCc2c(Cl)cccc2N2CCCC2)ccc1F 796520752 HFQDSHOKPXRMQL-ZDUSSCGKSA-N 348.849 4.745 0 50 EJAA Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(C2CC2)oc1C1CC1 935447378 GDVCKZFRXHGBMQ-UHFFFAOYSA-N 347.418 4.985 0 50 EJAA COc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1 188656 WOIUJVKDQGRWQS-UHFFFAOYSA-N 343.386 4.755 0 50 EJAA CC[C@@]1(C)Oc2ccc(NC(=O)c3ccccc3SC)cc2O1 381987 WTHGHFKXLLFJTM-SFHVURJKSA-N 329.421 4.558 0 50 EJAA O=C(Nc1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)on1 425665 KDWJEXBBCHRSHL-UHFFFAOYSA-N 334.709 4.526 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(OC(F)F)c1 1122010 ZNQDIRRWCMWISP-UHFFFAOYSA-N 328.265 4.519 0 50 EJAA COc1cc(CNCc2ccccc2)ccc1OCc1cccs1 4488588 PJXQDRCIFDPXKE-UHFFFAOYSA-N 339.460 4.626 0 50 EJAA Cc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1Cl 16649818 CCNLRSSHXHBYCE-UHFFFAOYSA-N 343.839 4.728 0 50 EJAA CCc1cccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 72116023 PFPNTBKDFNWPNY-UHFFFAOYSA-N 348.406 4.784 0 50 EJAA CCCCc1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)c[nH]1 77318847 ZKGCEVKCDLQJMU-MRXNPFEDSA-N 340.496 4.699 0 50 EJAA C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1 153883917 NZRSXERJELVYRD-WBMJQRKESA-N 349.356 4.715 0 50 EJAA C[C@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H]1c1ccccc1 186067282 ZTBCMXQXLOXLJI-DJJJIMSYSA-N 347.418 4.930 0 50 EJAA O=C(O)[C@H]1CCCc2sc(C=Cc3ccc(Cl)s3)nc21 1857530508 FVNALFMNRNHEBJ-VIFPVBQESA-N 325.842 4.533 0 50 EJAA Cc1ccc(-n2cc(-c3ccccc3)c3c(NC4CC4)ncnc32)cc1 1857799799 DARXXPSQXADTKL-UHFFFAOYSA-N 340.430 4.970 0 50 EJAA Clc1nc(NCc2ccc3ncccc3c2)c2ccsc2n1 1875357266 YTFNQNXLMVZWCA-UHFFFAOYSA-N 326.812 4.505 0 50 EJAA Cc1ccc(OCC2CC(C(C)(C)C)C2)c(C(=O)NCC(C)C)c1 1875357565 LWFNYYKHSVQESD-UHFFFAOYSA-N 331.500 4.832 0 50 EJAA Cc1c(C(=O)Nc2ccc(Br)cc2)oc2ccccc12 267361 DJAJBBVSSVMRCE-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1OC 396300 AIYFOFIPZAVACA-UHFFFAOYSA-N 342.394 4.837 0 50 EJAA O=C(Cc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 449742 AUBFVXCWFSOLAN-UHFFFAOYSA-N 347.258 4.905 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1Br 474493 NQEXVSNRELUMNO-INIZCTEOSA-N 348.240 4.554 0 50 EJAA CCn1c(SCc2cccc3ccccc23)nc2ccccc2c1=O 620172 OTKNBJFYOXUGEQ-UHFFFAOYSA-N 346.455 4.862 0 50 EJAA COc1ccc(OCCCOc2cccc(C(F)(F)F)c2)cc1 2986922 LJUBCTDURVMGAC-UHFFFAOYSA-N 326.314 4.562 0 50 EJAA CC(C)Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 3909121 MBKLQCGRXYBWQE-UHFFFAOYSA-N 346.736 4.798 0 50 EJAA Cc1ccc(-c2nc(NC(=O)c3sc(C)nc3C)sc2C)cc1 5183495 UBGPWKZPRJBZPD-UHFFFAOYSA-N 343.477 4.753 0 50 EJAA CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(C)C)cc1 5673472 MVCYJMNPXVHRCD-TZIWHRDSSA-N 336.435 4.611 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Nc1cnc2ccccc2c1 9875287 YQWOWEPYBMLKAH-UHFFFAOYSA-N 327.771 4.541 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)Nc1cccc(OC2CCCC2)c1 121827458 AALOWMZQJJIBAP-UHFFFAOYSA-N 341.411 4.826 0 50 EJAA CC(=O)c1c(C)cc(C)c(CSCc2noc(C(C)C)n2)c1C 170623190 WHJKIIVEKREGQB-UHFFFAOYSA-N 332.469 4.754 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257345968 NTPXXNCDCQTPIF-DXWVLXIHSA-N 332.484 4.530 0 50 EJAA CCn1c(C)cc2cc(NC(=O)N(C)[C@H](C)c3ccco3)ccc21 299770236 OHGUHJJYNLVKHQ-CQSZACIVSA-N 325.412 4.788 0 50 EJAA COCCn1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cn1 1875340374 YDCAXVNXTLQWTB-UHFFFAOYSA-N 328.799 4.642 0 50 EJAA O=C(Nc1ccncc1)c1cc(-c2ccccc2)nc2ccccc12 263496 YXEBFGGOFCLPHM-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA O=c1cc(-c2ccccc2)oc(-c2ccccc2)c1Br 282522 OVTAARGHHFFWBN-UHFFFAOYSA-N 327.177 4.736 0 50 EJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2C)c1 468351 JXUFSTYXOGXEHR-UHFFFAOYSA-N 330.815 4.639 0 50 EJAA COc1cccc(C(=O)COc2ccc(Cc3ccccc3)cc2)c1 475477 XIYOOLMAXQZEPW-UHFFFAOYSA-N 332.399 4.548 0 50 EJAA CC(=O)c1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 610338 PADIIUKVYLRESV-AWEZNQCLSA-N 326.465 4.554 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 1808107 RYKDKPLZSONAQQ-UHFFFAOYSA-N 337.375 4.642 0 50 EJAA Cc1cc(C)c(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)c1 4543133 GPUQARUAOJTVIV-UHFFFAOYSA-N 347.245 4.677 0 50 EJAA O=C(NCCCCc1ccccc1)Nc1ccccc1Br 13746047 LSRFKQMRJWBQFJ-UHFFFAOYSA-N 347.256 4.594 0 50 EJAA Cn1ncc2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21 20605130 CAYXUQUCPWACQV-UHFFFAOYSA-N 333.357 4.952 0 50 EJAA Cc1cc(NCc2ccc3c(c2)OCO3)nc2cc(Cl)ccc12 23634150 MTDSWVKGTIVQIE-UHFFFAOYSA-N 326.783 4.537 0 50 EJAA Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1C[C@H]1CCCO1 65383431 FIPHLWXFHXDRBO-GOSISDBHSA-N 336.410 4.844 0 50 EJAA Cc1csc([C@@H](C)Nc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72479821 PCYFVKOLAPHMLJ-CQSZACIVSA-N 349.463 4.643 0 50 EJAA CC(C)c1nc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cs1 252510652 BBUQAZZAZYJWQI-CQDKDKBSSA-N 348.899 4.901 0 50 EJAA CC(C)(C)c1cc2c(O)nc([C@@H]3CCCC(F)(F)C3)nc2s1 253536361 XQSASOVFQBGIPS-SECBINFHSA-N 326.412 4.987 0 50 EJAA Cc1cc(NC(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)cc2n[nH]cc12 1476295491 LWWLKKNDERJWCR-RNODOKPDSA-N 348.450 4.707 0 50 EJAA Clc1cccc2ccc(-c3nccn3CC[C@H]3CCCCO3)nc12 1857695925 FEKLFYAOOSOMPO-OAHLLOKOSA-N 341.842 4.711 0 50 EJAA FC(F)c1sccc1-c1nc(-c2cnc3ncccn23)cs1 1875331928 FPBWNTUMJOSITF-UHFFFAOYSA-N 334.376 4.519 0 50 EJAA COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 284070 YRRPMAVQIDXZQN-UHFFFAOYSA-N 339.398 4.881 0 50 EJAA c1ccc2oc(-c3ccc(NCc4ccc5c(c4)OCO5)cc3)nc2c1 442574 OWOYZTIBIIFOPO-UHFFFAOYSA-N 344.370 4.836 0 50 EJAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C)(C)C 445695 LPBRUABYDDZGPY-UHFFFAOYSA-N 345.464 4.885 0 50 EJAA CCOc1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 527741 JHFXMIHGKJMRCL-UHFFFAOYSA-N 332.399 4.895 0 50 EJAA COC(=O)[C@H](C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1 900710 BACHBFVBHLGWSL-JTQLQIEISA-N 341.190 4.726 0 50 EJAA biogenic,in-vivo O=C(Nc1ccc(F)cc1)OCCOc1ccc(Cl)cc1Cl 1753714 RFMUANSGXNJACI-UHFFFAOYSA-N 344.169 4.760 0 50 EJAA Cc1ccccc1/C=C\c1nc2ccccc2c(=O)n1-c1ccccc1 4724678 MTRVYWPAYDOVSC-NXVVXOECSA-N 338.410 4.865 0 50 EJAA CCC(C)(C)C1CCC(NC(=S)NCCc2ccccc2)CC1 6850587 YRXRFXYKDIGEIX-UHFFFAOYSA-N 332.557 4.688 0 50 EJAA O=C(Nc1ccc(Cl)cn1)c1sc2cccc(F)c2c1Cl 13746887 SIALQUIQDWXLOZ-UHFFFAOYSA-N 341.194 4.995 0 50 EJAA Cc1ccc(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)cc1C 20616531 GERGIBCKDTZNJM-UHFFFAOYSA-N 325.721 4.685 0 50 EJAA Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c1 64985027 JXSHYPIFHMCIDB-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA COc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2Cl)cc1 96511692 XXQQXIKPIGNTLE-UHFFFAOYSA-N 332.186 4.781 0 50 EJAA O=C(Nc1ccsc1Cl)N1CCCCC[C@H]1c1ccncc1 189331568 SEYJNLSPCDGIMI-AWEZNQCLSA-N 335.860 4.946 0 50 EJAA C[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cc(F)cc(F)c1 242389504 ZXSVJCXXEVBMIH-QTJFZDIUSA-N 347.405 4.820 0 50 EJAA CC1(C)CCc2ccccc2[C@@H](NCc2nc(-c3ccoc3)no2)C1 685041393 FPIRPVIWBKIUKI-KRWDZBQOSA-N 337.423 4.523 0 50 EJAA C[C@@H](NC[C@H](O)c1cc2ccccc2s1)c1ccc(C(F)F)nc1 850441451 ZAGGZFQPDISTGE-ABAIWWIYSA-N 348.418 4.618 0 50 EJAA Clc1ccc2nc(-c3nccn3CC[C@H]3CCCOC3)ccc2c1 1857682769 RSSRXILPFHLLKC-CQSZACIVSA-N 341.842 4.568 0 50 EJAA CCC(CC)[C@@H]1CCN([C@@H](C(=O)O)c2ccc(C(F)(F)F)cc2)C1 1875282402 CDXGTKLKLNIYCR-GDBMZVCRSA-N 343.389 4.589 0 50 EJAA C[C@H]1C[C@H](c2ccccc2)N(c2nccc(N(C)c3ccccc3)n2)C1 1875331937 GGIXPRMCZXPSSZ-FXAWDEMLSA-N 344.462 4.832 0 50 EJAA COc1ccc(C)cc1NC(=O)/C=C/c1c(Cl)cccc1Cl 147132 OSEVUGCNGJHJMO-VQHVLOKHSA-N 336.218 4.962 0 50 EJAA S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCC1 306305 YXMRUVXRUDNGML-UHFFFAOYSA-N 331.868 4.690 0 50 EJAA C[C@@H](O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 398207 NQXWBZZIKKGBLU-SECBINFHSA-N 325.195 4.691 0 50 EJAA Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCCC2)cc1 465404 QBNNAIWMFVXBMK-UHFFFAOYSA-N 349.858 4.829 0 50 EJAA CCSc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 610669 GIBRQVXWVXCTHA-UHFFFAOYSA-N 339.504 4.894 0 50 EJAA CCCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2305566 FLJBVRFEZZOFJL-UHFFFAOYSA-N 345.493 4.593 0 50 EJAA COc1ccc2nc(NC(=O)c3oc4ccccc4c3C)sc2c1 2875878 VRLXLMSBCZLLGZ-UHFFFAOYSA-N 338.388 4.612 0 50 EJAA Cc1cc(-n2cccn2)ccc1-c1c(-c2ccccc2)ncn1CCF 65427951 SOOUENJFZOPLQS-UHFFFAOYSA-N 346.409 4.681 0 50 EJAA C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc(O)ccc1Cl 1307559236 NWKWNRFFONZBTM-NSHDSACASA-N 332.856 4.848 0 50 EJAA CC[C@@H](C)N(Cc1ccsc1)C(=O)CCC(=O)c1ccccc1 1506419202 WRQPKNXOWOKRMY-OAHLLOKOSA-N 329.465 4.538 0 50 EJAA Cc1cccc([C@@H](C)NC(=O)c2cc(O)nc(-c3ccccc3)c2)c1C 1875321687 RFWRPJRIXXUCDX-MRXNPFEDSA-N 346.430 4.562 0 50 EJAA C[C@@H]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c23)C1 302463 LVJLRIIHIKELQF-LLVKDONJSA-N 341.505 4.691 0 50 EJAA Clc1ccc(CSc2nnc(-c3ccncc3)o2)c(Cl)c1 527284 OOXVVQWCARXVNF-UHFFFAOYSA-N 338.219 4.731 0 50 EJAA O=C1C(=O)N([C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc21 2469651 VTKMMMHPJUAGAE-IBGZPJMESA-N 347.801 4.659 0 50 EJAA C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 13640780 GEUCYEGKZWPFIO-SNVBAGLBSA-N 339.222 4.663 0 50 EJAA CCC1CCC(NC(=O)Nc2ccccc2Br)CC1 13745424 LNXFOFGLIVOLDS-UHFFFAOYSA-N 325.250 4.539 0 50 EJAA Cc1ccc(OC(F)F)c(CNc2nnc(C3CCCCC3)o2)c1 225553970 YNHHSETZHJKKNX-UHFFFAOYSA-N 337.370 4.639 0 50 EJAA O=C(O)/C=C/c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 226322436 CXZHKZAYHPYAOZ-NTEUORMPSA-N 343.382 4.704 0 50 EJAA Cc1cccc([C@H](C)NC(=O)c2cc(O)nc(-c3ccccc3)c2)c1C 1875321686 RFWRPJRIXXUCDX-INIZCTEOSA-N 346.430 4.562 0 50 EJAA Cc1c(C)c2c(c(C)c1OCC1([C@@H]3CCCO3)CC1)CC(C)(C)O2 1875407945 KPFJZOFMJGNWTA-KRWDZBQOSA-N 330.468 4.663 0 50 EJAA COC(=O)c1c(C)oc2ccc(OCc3cccc(Cl)c3)cc12 83678 HBWOUSUEBIVNJC-UHFFFAOYSA-N 330.767 4.760 0 50 EJAA biogenic CC(C)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 282112 RZBWRWQADFBXEU-UHFFFAOYSA-N 325.518 4.744 0 50 EJAA CC[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 442500 MGKWGLBGFIJQPB-ZDUSSCGKSA-N 336.204 4.721 0 50 EJAA Cc1cc(OCc2ccccc2C)c2c3c(c(=O)oc2c1)CCCC3 1164417 WIJMRFMEXODSPP-UHFFFAOYSA-N 334.415 4.868 0 50 EJAA Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)o1 1199890 RHNBVKALIHUDKQ-UHFFFAOYSA-N 335.388 4.512 0 50 EJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1OC(F)F 4718036 FWDYCYCFWRLWKN-UHFFFAOYSA-N 335.394 4.833 0 50 EJAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1cccc(F)c1 13736916 BEWRPDVANWBJOG-UHFFFAOYSA-N 332.444 4.941 0 50 EJAA Clc1cncc(CNc2ccc(-c3cn4ccccc4n3)cc2)c1 1875328611 BQFCXPRUNFQNNE-UHFFFAOYSA-N 334.810 4.662 0 50 EJAA C[C@@H](NCCc1cccc(C(F)(F)F)n1)c1ccc2ncccc2c1 2325773870 QAFZDDJYYCLBEN-CYBMUJFWSA-N 345.368 4.542 0 50 EJAA Cc1ccc(OCc2ccc(C(=O)N(C)C3CCCCC3)o2)cc1C 115412 KLPZNVJWXDYAAO-UHFFFAOYSA-N 341.451 4.880 0 50 EJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccs1 122473 XMQFPLSOGQPDIO-UHFFFAOYSA-N 335.388 4.512 0 50 EJAA O=c1oc2cc(OCc3ccc(Cl)cc3)ccc2c2c1CCC2 123069 AZSFFSMOOOFXNL-UHFFFAOYSA-N 326.779 4.514 0 50 EJAA O=C1C(Nc2ccccc2)=C[C@@H](c2ccccc2)N1c1ccccc1 134174 QIBLHYFLABKMHD-NRFANRHFSA-N 326.399 4.771 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 473841 BGSSQZGJQOUCGO-CYBMUJFWSA-N 325.795 4.899 0 50 EJAA Cc1ccc2occ(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 1060713 DHTSBVNMYRPERS-UHFFFAOYSA-N 333.309 4.941 0 50 EJAA CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1(Cl)Cl 1532060 RXDMAYSSBPYBFW-ISTVAULSSA-N 334.674 4.737 0 50 EJAA biogenic,in-vitro CC1CCN(C(=O)c2cccc(COc3ccccc3Cl)c2)CC1 2750318 LINGWVHDEWGUNC-UHFFFAOYSA-N 343.854 4.791 0 50 EJAA COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 5065498 PADNEAKPYNRSDF-HNNXBMFYSA-N 341.451 4.707 0 50 EJAA Clc1ccccc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 19227517 KJESVKQXHCLHKO-UHFFFAOYSA-N 346.821 4.709 0 50 EJAA C[C@H](Nc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1 96901207 IVHLLLANKSUTQN-INIZCTEOSA-N 332.451 4.793 0 50 EJAA COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1OC 97756968 PXFGSDUCHOTRSC-UHFFFAOYSA-N 348.398 4.728 0 50 EJAA Cc1cc2cc(NC(=O)N3CCCC[C@@H]3c3ccccn3)ccc2o1 299776843 DNGBZLUQCBJUJE-GOSISDBHSA-N 335.407 4.895 0 50 EJAA O=C(N[C@H](Cc1ccccc1)c1ncco1)c1ccc(C2CCC2)cc1 655390003 VXJOCWMNMFLEJI-HXUWFJFHSA-N 346.430 4.656 0 50 EJAA Fc1ccccc1CCCNCc1cc(CN2CCCCC2)cs1 1506402946 MWECJPXGZOUSNK-UHFFFAOYSA-N 346.515 4.596 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccnc1F 1875365061 HGMWUHCUXPXRND-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CC1CCN(C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)CC1 106603 HSGDQUKXSPNONK-UHFFFAOYSA-N 339.222 4.772 0 50 EJAA Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1 188879 TXXDVCJNYMPINL-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA CCOc1cc(O)c(-c2n[nH]c(C)c2-c2ccc(F)cc2)cc1CC 307934 JJPYQZZHTBIQMY-UHFFFAOYSA-N 340.398 4.858 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1Cl 335687 KQADVIQGVFJKNB-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Cl 379858 PKCVYWNXHYFXOS-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA CC(C)Nc1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1 1396751 KIUYHMLRVMTHPY-UHFFFAOYSA-N 331.725 4.761 0 50 EJAA CC1=CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4S3)c3cccc1c32 2351084 JJHBQZSWUFVJEU-FQEVSTJZSA-N 334.444 4.599 0 50 EJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1 2862807 AFCZHRPRCWYZQN-CVEARBPZSA-N 325.452 4.629 0 50 EJAA Fc1ccc(CNc2nc3c(c(C(F)(F)F)n2)CCCCC3)cc1 3896198 MBTVCPCWGQYCTN-UHFFFAOYSA-N 339.336 4.516 0 50 EJAA COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1OCc1ccccc1 4987716 RVJRKJHWOFRELA-ROUUACIJSA-N 339.479 4.752 0 50 EJAA C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 13597509 GVIAXRUEUWNZTF-XNAIMREJSA-N 334.246 4.974 0 50 EJAA C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1 13745072 YSENUDCWYVFSHE-LKBWSCCASA-N 338.904 4.731 0 50 EJAA COc1ccccc1-c1ccnc2c(-c3cccc(Cl)c3)cnn12 71384730 JAYUQZGFPROBKT-UHFFFAOYSA-N 335.794 4.725 0 50 EJAA CC1=C[C@@H](C)[C@@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@H](C)C1 239338590 KUFAUZJRIITNBN-MCSHHISBSA-N 333.560 4.758 0 50 EJAA Cc1ccccc1C1CC(N(C(=O)c2cnc3occc3c2)C2CC2)C1 1875280529 SKHDYFQDTGHXMO-UHFFFAOYSA-N 346.430 4.687 0 50 EJAA O[C@@H](c1ccccc1)c1cccc(NCc2ccc3cc[nH]c3c2)c1 1875336934 KJTWEMONGKWHMF-QFIPXVFZSA-N 328.415 4.862 0 50 EJAA Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4)ccc3O)nc2c1 176016 CNTIFOXLHXESKD-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA biogenic O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1 3986651 LIYLTQQDABRNRX-UHFFFAOYSA-N 325.166 4.916 0 50 EJAA in-vitro CCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@H]1CN(C)C 4566968 YAVCUODFBOMBEB-FUHWJXTLSA-N 348.487 4.534 0 50 EJAA c1ccc(-c2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 4857561 YKBAWVHAKUNZMU-UHFFFAOYSA-N 328.371 4.983 0 50 EJAA Cc1cc(NCCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 5557485 OKEPNTVSCUCOGW-UHFFFAOYSA-N 342.446 4.668 0 50 EJAA Cc1c(Cl)ccc2c(C(=O)NC3CC3)cc(-c3ccccc3)nc12 6527098 VUWFXXNAICUYGT-UHFFFAOYSA-N 336.822 4.756 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 13745473 SAOIMBKLULCJSQ-GFCCVEGCSA-N 333.229 4.640 0 50 EJAA COc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)C)cc2)c1 13931834 GBFKFFNDLLQLTQ-AWEZNQCLSA-N 328.481 4.866 0 50 EJAA CC(=O)c1cc(CN(Cc2ccccc2)Cc2nccs2)cs1 55342965 VYIZEZOXOWUZKJ-UHFFFAOYSA-N 342.489 4.610 0 50 EJAA CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1 64985033 XIGIETCHIDYFCP-OAHLLOKOSA-N 333.819 4.568 0 50 EJAA COc1ccc(-c2nccn2[C@H](C)c2nccs2)c2ccccc12 67946712 SHLYMADLTITAAS-CYBMUJFWSA-N 335.432 4.778 0 50 EJAA CN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100323007 MHNSOBBJZCWUGS-OALUTQOASA-N 343.417 4.696 0 50 EJAA in-vivo Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1ccsc1 170619390 BPKUTERCGLAPGZ-KRWDZBQOSA-N 336.416 4.641 0 50 EJAA CS[C@H](C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 478224652 IASPGOAVPHBNED-WDSOQIARSA-N 343.467 4.682 0 50 EJAA Cc1ncc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)s1 679002834 SVMPIVAMZOMZRI-CYBMUJFWSA-N 334.448 4.939 0 50 EJAA CCCCCC[C@H](O)CCCCCCCCCCc1nc(N)n[nH]1 1267971654 ZCNDSWPNVDTKMQ-KRWDZBQOSA-N 338.540 4.772 0 50 EJAA Clc1cccc(C2(CN[C@@H](c3cccnc3)C3CCC3)CC2)c1 1875337417 UKASPWZSAHRWAQ-LJQANCHMSA-N 326.871 4.898 0 50 EJAA Cc1ccccc1OCCOC(=O)Nc1ccc(Cl)c(Cl)c1 2983258 MHGDKGYVJQJCNA-UHFFFAOYSA-N 340.206 4.929 0 50 EJAA Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 2994928 GZXSVNPTIUQBIB-UHFFFAOYSA-N 336.247 4.589 0 50 EJAA Cc1c(C(=O)CSc2nc3ccccc3o2)c2ccccc2n1C 4999354 HTWGKMPDANQEKG-UHFFFAOYSA-N 336.416 4.603 0 50 EJAA CC(=O)c1ccc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5061044 PBQITBAJSJODAI-LFPRZYRFSA-N 340.467 4.616 0 50 EJAA CCn1c(SCc2cc3ccccc3c(Cl)n2)nnc1C1CC1 170605555 SLENNGARFIJHFP-UHFFFAOYSA-N 344.871 4.669 0 50 EJAA Fc1ccc2oc(CN3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2c1 170606899 IKWFCBKBLYVBDN-GOSISDBHSA-N 335.382 4.785 0 50 EJAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccc(-c3ccncc3)c2)C1 299799499 GUXWBMLKIFYMJO-DENIHFKCSA-N 334.463 4.789 0 50 EJAA CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(-n2cccc2)c1 302798056 BHJCFMYUEVRQBC-GOSISDBHSA-N 336.460 4.688 0 50 EJAA COC(=O)c1sc(-c2ccc(Oc3ccc(C)cc3)cc2)cc1N 328579178 YDJLPEVAUPXWMO-UHFFFAOYSA-N 339.416 4.885 0 50 EJAA C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(C(F)F)nc1 850450983 PQKVRSDGROSUAS-GFCCVEGCSA-N 335.373 4.932 0 50 EJAA COC(=O)c1c(NC(=O)C=C(C)C)sc2c1CC[C@H](C(C)(C)C)C2 149014 PHEMJKFMMHBBIM-LBPRGKRZSA-N 349.496 4.590 0 50 EJAA CSc1nc(Cl)c(Cc2ccc(OC(C)C)cc2)c(Cl)n1 175931 UXEFPCQWIQBWSN-UHFFFAOYSA-N 343.279 4.883 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2nccs2)cc1 191068 RJCJCGMKEGSAGX-GOSISDBHSA-N 348.471 4.705 0 50 EJAA CCc1c(-c2nnc(S)n2-c2cc(C)ccc2C)csc1C 6519535 PKLVGBWYNSHZAX-UHFFFAOYSA-N 329.494 4.772 0 50 EJAA CCc1cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2cc1O 6519562 CPRNHRFNUCHSII-UHFFFAOYSA-N 334.293 4.747 0 50 EJAA ClC1(Cl)[C@@H]2[C@H]3[C@@H]([C@H]4[C@@H](C[C@H]21)C4(Cl)Cl)C3(Cl)Cl 8386349 LXFGXVWBHKKGFX-VXGWJHEQSA-N 340.892 4.650 0 50 EJAA CC1CCN(CCOCCOc2ccc(Cl)c3ccccc23)CC1 15768191 JMRFJSRWEYXYRQ-UHFFFAOYSA-N 347.886 4.621 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C)c1C 33270604 UBGRRISFRUHQPO-MRXNPFEDSA-N 327.428 4.531 0 50 EJAA c1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 39959746 XAJBJNBVEYEAKF-QGZVFWFLSA-N 348.427 4.833 0 50 EJAA FCCn1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F 65381542 SISOXJKEUNXBLJ-UHFFFAOYSA-N 332.325 4.788 0 50 EJAA CCc1noc(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 132616419 CKBMDWOERAYQNT-UHFFFAOYSA-N 334.419 4.706 0 50 EJAA c1ccc(COc2ccccc2-c2noc([C@@H]3CCCCO3)n2)cc1 151671051 AJCHONHBYOOSLE-SFHVURJKSA-N 336.391 4.557 0 50 EJAA CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1cccc2cnccc12 215530388 SPHCLFYQFHUQPG-FQEVSTJZSA-N 336.435 4.701 0 50 EJAA COc1cc(-c2ccc(C=O)cc2)c(OC)cc1-c1ccc(C=O)cc1 219795064 KWQZYZSJYJLLBI-UHFFFAOYSA-N 346.382 4.663 0 50 EJAA Cc1ccc(C(=O)C[C@H](SCc2ccc(Cl)cc2)C(=O)O)cc1 44316 LLBPSKRWWMYWGF-KRWDZBQOSA-N 348.851 4.608 0 50 EJAA COc1cc(SC)ccc1C(=O)Nc1cccc(Cl)c1Cl 457226 WQIQRVSDADIWJH-UHFFFAOYSA-N 342.247 4.976 0 50 EJAA Cc1cc(=O)oc2cc(OCc3c(F)cccc3F)c(Cl)cc12 609306 UNGYDMRYQPTPCO-UHFFFAOYSA-N 336.721 4.612 0 50 EJAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)cc1C 2786552 DTKPSDBKPFGPQC-UHFFFAOYSA-N 339.748 4.994 0 50 EJAA CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1cccc(C)c1C)N2 2996904 FPTFVPUGHUHUBI-UHFFFAOYSA-N 345.556 4.825 0 50 EJAA Cc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1 3880698 VBIOMAOCBUWKTJ-UHFFFAOYSA-N 330.482 4.693 0 50 EJAA Cc1ccc([C@H](C)NC(=O)c2c(-c3ccccc3)noc2C)c(C)c1 13328705 SEMWGJCWLSCFHT-HNNXBMFYSA-N 334.419 4.758 0 50 EJAA Cc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccccc3F)C2)c1 19743165 FCIQPZVSSWDDOP-GOSISDBHSA-N 349.453 4.904 0 50 EJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 21791077 FOMLDQWWSCJVSX-IBGZPJMESA-N 332.403 4.627 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@H]34)[C@@]2(C[C@@H]3CC[C@H]4CC[C@@H]2[C@H]43)O1 257357066 LVXICQLAEIUOJT-JKJJDASLSA-N 344.520 4.708 0 50 EJAA CCCCN(Cc1ccsc1)C(=O)Nc1cccc(C(C)=O)c1 822860822 CNGBHQGGLWGKMQ-UHFFFAOYSA-N 330.453 4.785 0 50 EJAA CC(C)c1ccc2ncnc(N[C@H](C)c3ccc4nc(O)[nH]c4c3)c2c1 1162177072 PZPFPVPXZTXEQX-GFCCVEGCSA-N 347.422 4.508 0 50 EJAA CC(C)C[C@H](CN[C@H](c1ccccc1)C(C)(C)O)Cc1ccccc1 1875345495 ZETITNHTKQAYGL-RBBKRZOGSA-N 339.523 4.993 0 50 EJAA Clc1ccc([C@H](OCCN2CCCCC2)c2ccccc2)cc1 57252 FLNXBVJLPJNOSI-HXUWFJFHSA-N 329.871 4.932 0 50 EJAA biogenic,world CCc1c(C)sc(NC(=O)[C@H](CC)c2ccccc2)c1C(=O)OC 482751 OPZDTLISSYODLP-OAHLLOKOSA-N 345.464 4.538 0 50 EJAA CCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1OCC 1069776 LLSKWTWAUVHSSB-UHFFFAOYSA-N 349.430 4.818 0 50 EJAA O=C1CCCCc2ccc(cc2)Cc2ccc(cc2)CCCC[C@H]1O 4787957 XQCHFPADVQGJCQ-JOCHJYFZSA-N 336.475 4.647 0 50 EJAA C[C@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 7520719 HFBYYXYBSOUTJL-UHSVVUDUSA-N 332.488 4.717 0 50 EJAA CCCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1 13796451 QTCFCWUWMKEUMQ-UHFFFAOYSA-N 342.464 4.679 0 50 EJAA Clc1cccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 39769775 FDDGVKWNNYKGKF-UXHICEINSA-N 332.919 4.569 0 50 EJAA C[C@@H]1CCCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 170598797 YUEYDLABPLJROX-ZIAGYGMSSA-N 327.390 4.848 0 50 EJAA C[C@H](c1nnc(-c2ccccc2F)s1)N(C)Cc1ccc(F)cc1 170599931 LIWNQOBLTWPNOS-GFCCVEGCSA-N 345.418 4.676 0 50 EJAA C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 170606863 RDXJWDYYYVGSKU-AOMKIAJQSA-N 347.437 4.866 0 50 EJAA COc1cccc([C@H]2CCCN2C(=O)Nc2ccsc2Cl)c1 189314822 DLFHWTSPKTXCIZ-CQSZACIVSA-N 336.844 4.779 0 50 EJAA Cc1ccc2cc(CN[C@@H](c3ccnc(Cl)c3)C3CC3)ccc2n1 2325720034 UADUFAZVOGQAKX-HXUWFJFHSA-N 337.854 4.833 0 50 EJAA COc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 260820 UZNHUNNBLYGPBF-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA Cc1cc(-c2ccccc2)n(-c2cc(Nc3cccc(F)c3)ncn2)n1 441397 XCKWHHLOUOBMDU-UHFFFAOYSA-N 345.381 4.520 0 50 EJAA O=C(O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 445595 PGXDNXZAXCIRCM-UHFFFAOYSA-N 340.382 4.905 0 50 EJAA COc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1 467302 WKDPAUGQBBETNR-QHCPKHFHSA-N 345.442 4.534 0 50 EJAA O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl 612837 LVSWGFXYXLQABN-HXUWFJFHSA-N 348.833 4.820 0 50 EJAA CC(C)=CCOc1cc2oc(=O)cc(C)c2cc1OCC=C(C)C 615062 NHJFSHYNEDHTER-UHFFFAOYSA-N 328.408 4.791 0 50 EJAA biogenic Cc1c(C(F)(F)F)c(C(F)(F)F)c(C)n1C(=O)c1ccccc1 2519544 VSJOKQZSFQAQKW-UHFFFAOYSA-N 335.247 4.831 0 50 EJAA Oc1cccc2ccc(/C=C/c3ccccc3Br)nc12 4124002 XFDOYOJBVKGWCY-CSKARUKUSA-N 326.193 4.873 0 50 EJAA CCN(C/C=C/c1ccccc1)C(=O)c1ccc(Cl)cc1OC 55042247 VHWPPUARCIKYER-JXMROGBWSA-N 329.827 4.524 0 50 EJAA c1nc2c(c(Oc3ccc(C4SCCS4)cc3)n1)CCCC2 151642424 XADNPQFZQZIJOS-UHFFFAOYSA-N 330.478 4.626 0 50 EJAA CCc1nnc([C@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 170003890 SBZVMSHMBBZTDU-LBPRGKRZSA-N 327.359 4.737 0 50 EJAA CN(Cc1cccc2cnccc12)Cc1cncn1C1CCCCC1 1529182636 XCDLPKAKAYVERU-UHFFFAOYSA-N 334.467 4.569 0 50 EJAA O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C1CCC1 1857798407 DSFVXYLSQSIXEK-UHFFFAOYSA-N 337.350 4.542 0 50 EJAA CCc1ccc(-n2nc(C3CC3)nc2-c2ccc3c(c2)[C@@H](C)CO3)cc1 1875346852 CNHBZNJRKYWFTP-AWEZNQCLSA-N 345.446 4.870 0 50 EJAA CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl 101822 FSUGXSGRKBWMGH-UHFFFAOYSA-N 344.263 4.665 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 250072 DVAMCJGEKXYZCW-UHFFFAOYSA-N 337.810 4.970 0 50 EJAA Cc1ccccc1C(=O)Oc1ccc(Br)cc1Cl 358973 IMVMECMQHYCFNX-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(OC)cc1Cl 369416 MGAGNRIHWBQDIC-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA Cc1c(-c2ccc(Br)cc2)nc2ccccc2c1C(=O)O 373212 JSAWRWPKTYEFTR-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA O=Cc1cc(Br)ccc1OCc1cccc2ccccc12 457782 LYZXVBHCWUYNSS-UHFFFAOYSA-N 341.204 4.994 0 50 EJAA O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 5093968 GREUNFYOZCFERP-UHFFFAOYSA-N 346.411 4.713 0 50 EJAA COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 15010875 BDMYSVRGRPSSRY-DHDCSXOGSA-N 345.807 4.590 0 50 EJAA Cc1cnc(NC(=O)c2ccc([C@H]3CCCN3CC(C)C)s2)s1 23379607 TYAFQDLNKKJACB-CYBMUJFWSA-N 349.525 4.558 0 50 EJAA CC(=O)c1cc(CC(=O)N(Cc2ccsc2)C2CCCC2)cs1 97499626 YEJQZIWIKPIZTR-UHFFFAOYSA-N 347.505 4.526 0 50 EJAA CCc1nnc([C@@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 170003887 SBZVMSHMBBZTDU-GFCCVEGCSA-N 327.359 4.737 0 50 EJAA FC(F)(F)c1cnc([C@H]2N=C2c2ccccc2Cl)c(Cl)c1 263639699 DXYPFNARJQCKLU-ZDUSSCGKSA-N 331.124 4.951 0 50 EJAA Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccc3oc(C)cc3c2)c1 299763940 ZGMGKAHOBJDUIM-AWEZNQCLSA-N 337.423 4.540 0 50 EJAA C[C@H](N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(-n2ccnc2)c1 1875338979 RXKUASJIGLDAAT-LDQXTDLNSA-N 349.453 4.998 0 50 EJAA CN(C)C(=O)c1cccc(-c2ccccc2COc2ccccc2)c1 1875361175 SRIHWSCBMRVEOX-UHFFFAOYSA-N 331.415 4.634 0 50 EJAA C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 87999 OUFIYTUFYOPUJU-IERDGZPVSA-N 328.415 4.889 0 50 EJAA O=c1oc2cc(OCc3cccc(Cl)c3)ccc2c2c1CCC2 119410 QZVYSMBDMUYEDU-UHFFFAOYSA-N 326.779 4.514 0 50 EJAA CCc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 273170 PVHICVMWOFUDEZ-UHFFFAOYSA-N 328.462 4.590 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl 398833 PCKOXQWROGTOQI-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1Cl 455811 WPULFMIIMOHQNJ-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA COc1cc(Cl)c(C)cc1NC(=O)c1cc(Cl)ccc1OC 616921 GNRUTTLYPMORKV-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA Cc1ccc2nc(-c3ccc(OCC(C)C)cc3)cc(C(=O)O)c2c1 1457152 OZDHGHFHVPVQPZ-UHFFFAOYSA-N 335.403 4.943 0 50 EJAA O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 2881731 HAKGTMLUKQHJIO-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA O=c1c(CN2CCC[C@H]3CCCC[C@@H]32)coc2ccc(Cl)cc12 23282211 UGFOCSQYKWFHRV-DYVFJYSZSA-N 331.843 4.601 0 50 EJAA CCOc1ccccc1O[C@H]1CCCC[C@H]1NCc1ccccc1 44124744 VSQPBOQZBTWANL-MOPGFXCFSA-N 325.452 4.565 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 130109493 XTNHJZHVJURGLA-BDJLRTHQSA-N 343.402 4.615 0 50 EJAA CCc1nc([C@H](C)N[C@@H]2CCC[C@@H]3OCC[C@H]32)oc1-c1ccccc1 252538738 NGCVTPQROISFPX-WQCNXYOZSA-N 340.467 4.512 0 50 EJAA CCCC(=O)Nc1ccc2oc(C(=O)c3ccc(F)cc3)c(C)c2c1 1875255485 MENFFDNRGLYLKD-UHFFFAOYSA-N 339.366 4.850 0 50 EJAA CCOc1cc(C=O)cc(Br)c1OCc1cccc(C)c1 37196 XVSPWYCMMCGIFJ-UHFFFAOYSA-N 349.224 4.548 0 50 EJAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1C 77635 JZDKGYIGJCVEAQ-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1ccc(C)c(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 90371 ZULSDZCQFSVQKE-INIZCTEOSA-N 348.450 4.581 0 50 EJAA 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344.183 4.994 0 50 EJAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc4c(c3)OCO4)sc2c1 461607 SKEUTMOOSCXYFU-UHFFFAOYSA-N 345.807 4.844 0 50 EJAA c1ccc(C2CCC(N3CCC(N4CCCCC4)CC3)CC2)cc1 1225292 RRYAWQLOSDUAMD-UHFFFAOYSA-N 326.528 4.663 0 50 EJAA Cc1ccccc1NC(=O)C(=O)NC1CCCCCCCCCCC1 4694310 AZMLQDRHLZJZAI-UHFFFAOYSA-N 344.499 4.723 0 50 EJAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1 4703977 RRDSWVUQYFQQBX-UHFFFAOYSA-N 328.843 4.578 0 50 EJAA CC(C)c1ccc(/C=C/c2nn3c(-c4cccnc4)nnc3s2)cc1 4784398 USTPECIEZKUWEV-JXMROGBWSA-N 347.447 4.542 0 50 EJAA CC1(C)CC(=O)c2c(nc(C(F)(F)F)c3[nH]c4ccccc4c23)C1 5454805 YZUYVINWCQNHEP-UHFFFAOYSA-N 332.325 4.890 0 50 EJAA CC[C@H]1c2cccn2CCN1Cc1nc(-c2cccc(C)c2)oc1C 12004496 MHMMDCQSDWQJCB-IBGZPJMESA-N 335.451 4.727 0 50 EJAA CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 13329027 HGVORRYUCRUFBJ-OAHLLOKOSA-N 348.830 4.630 0 50 EJAA COc1ccc(NC(=O)/C=C/c2cccc3ccccc23)c(OC)c1 14758437 MQFMURYZQQHMOL-JLHYYAGUSA-N 333.387 4.509 0 50 EJAA Cc1ccc(-n2nc(-c3ccc(CC(C)C)cc3)cc2C(=O)O)cc1 25762190 HQACGJOFVYYNFD-UHFFFAOYSA-N 334.419 4.744 0 50 EJAA COc1nc2ccc(Br)cc2cc1Cc1ccccc1 38214180 WMFHVNYOCKTDMX-UHFFFAOYSA-N 328.209 4.597 0 50 EJAA in-vitro Cc1cccc(/C=C/C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c1 170642929 RNBTWZACPXTPNX-MDWZMJQESA-N 346.405 4.776 0 50 EJAA C[C@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cncc(F)c1 182923647 OKADLXHMEHXZFV-AWEZNQCLSA-N 336.414 4.594 0 50 EJAA C[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc(F)cc(F)c1 225668676 ZXSVJCXXEVBMIH-CJMONDIMSA-N 347.405 4.820 0 50 EJAA Cc1ccc(SC2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1 252497582 QKKNRAALUDIVFF-QGZVFWFLSA-N 339.504 4.882 0 50 EJAA O=C(Nn1c2ccccc2c2ccccc21)c1csc(C(F)F)n1 2325874212 DPNKMYZPCVCRKJ-UHFFFAOYSA-N 343.358 4.573 0 50 EJAA COc1ccc(-c2csc3nc(-c4ccccc4C)oc(=O)c23)cc1 445782 LTPSBRKIIGRDEK-UHFFFAOYSA-N 349.411 4.901 0 50 EJAA COC(=O)c1cc2cc(NC(=O)c3ccccc3Cl)ccc2s1 1392864 CWELKWWSUQXPNR-UHFFFAOYSA-N 345.807 4.594 0 50 EJAA COc1cc2ccccc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 4451313 NVGWYFKWFWOKDM-UHFFFAOYSA-N 349.474 4.795 0 50 EJAA Cc1ccc(F)c(C(=O)N2CC[C@H](c3ccccc3F)C2)c1Cl 77518493 WLKHNEJRFOPBSY-LBPRGKRZSA-N 335.781 4.556 0 50 EJAA Cc1ccccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173531 CJYCKCJTJSRCGU-QFIPXVFZSA-N 342.442 4.521 0 50 EJAA Cc1ccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 152501477 NBNSEBUFIVIICV-UHFFFAOYSA-N 344.842 4.724 0 50 EJAA O=C(Cc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 261494923 UIMZMSQIIYYALU-UHFFFAOYSA-N 334.124 4.833 0 50 EJAA Cc1sc2ncnc(N[C@@H](C)c3cccc(-n4cccn4)c3)c2c1C 467010809 MYAPAQAJUXKUFA-ZDUSSCGKSA-N 349.463 4.667 0 50 EJAA C[C@H](CN(C)C(=O)c1ccc(Cn2cccc2)cc1)C1CCCCC1 1462081117 ONZNSTLEUUTJOU-GOSISDBHSA-N 338.495 4.825 0 50 EJAA O=S(=O)(Nc1cccc2ccsc12)c1sccc1C1CC1 2325866554 PLWGTEPFFAFSNK-UHFFFAOYSA-N 335.475 4.641 0 50 EJAA CCOc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 63632 MOQYQAIFILULLI-UHFFFAOYSA-N 347.436 4.809 0 50 EJAA COc1cc(SC)ccc1C(=O)Nc1cccc(C(F)(F)F)c1 67921 WBSFKZISPYHSCO-UHFFFAOYSA-N 341.354 4.688 0 50 EJAA CC(C)(C)NC[C@@H](O)COc1ccc(C2CCCCC2)cc1Cl 155481 CCKJRHONEDLPNK-MRXNPFEDSA-N 339.907 4.516 0 50 EJAA COc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1 184110 BWYPAJBVVMWWRH-UHFFFAOYSA-N 327.387 4.610 0 50 EJAA CC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 459469 NGFYDEDEFPFWRT-UHFFFAOYSA-N 345.398 4.721 0 50 EJAA CN1CCC[C@@H](OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 459958 LIXBXGQITYSGOE-GOSISDBHSA-N 331.500 4.533 0 50 EJAA Cc1cc(C)cc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 467338 BCYFNCMBZHNBBJ-UHFFFAOYSA-N 338.520 4.955 0 50 EJAA Cc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 1144068 YMNFWWRXUDIHRG-DHDCSXOGSA-N 329.808 4.889 0 50 EJAA CCCCc1ccc(NC(=O)CSCc2ccc(OC)cc2)cc1 2857428 PWKPIRNKFJDISK-UHFFFAOYSA-N 343.492 4.910 0 50 EJAA CCCc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1 3000895 CIXUXVIWBKBWEY-UHFFFAOYSA-N 333.431 4.601 0 50 EJAA Cc1cc(C)cc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1 17070490 TYKQQRIGBFRUEG-UHFFFAOYSA-N 334.423 4.501 0 50 EJAA Cc1cccc2[nH]c3c(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c12 248330424 FUCNLZHJTDUZOV-SZNDQCEHSA-N 334.467 4.825 0 50 EJAA CCCCN(Cc1cccnc1)C(=O)[C@@]1(c2cccs2)CC1(C)C 952982823 RCJWSSUWJMNOKJ-FQEVSTJZSA-N 342.508 4.640 0 50 EJAA C[C@H]1C[C@@H](Nc2ccc(-c3cccnc3)c3cccnc23)C[C@@H](C)O1 2325788806 HXJFVLQCGHHZSS-QLPKVWCKSA-N 333.435 4.665 0 50 EJAA O=C1O[C@@H](c2ccc(F)cc2)C2(CCCCC2)C(=O)C12CCCCC2 89802 LPZPFNMMDIKXPH-KRWDZBQOSA-N 344.426 4.894 0 50 EJAA O=c1oc(-c2ccc(F)cc2)nc2scc(-c3cccs3)c12 181307 VAHUJWFHAYAAOJ-UHFFFAOYSA-N 329.377 4.784 0 50 EJAA O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 210215 WTPKUPZQOANMBU-JOCHJYFZSA-N 340.426 4.607 0 50 EJAA biogenic O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 271544 CYLVKGNEUGZSPN-UHFFFAOYSA-N 344.867 4.565 0 50 EJAA O=C(Oc1ccc2ccccc2c1)c1ccc(Br)cc1 287699 GPRHKKCIHGTSFI-UHFFFAOYSA-N 327.177 4.822 0 50 EJAA Cc1cc(Br)ccc1NC(=O)C[C@@H](C)c1ccccc1 302928 DQFGBZSOBZBSAE-GFCCVEGCSA-N 332.241 4.890 0 50 EJAA O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1 580878 DGWWGPVNKFSLHP-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 1125643 AWSRIYFUCPJMGS-MRXNPFEDSA-N 337.463 4.731 0 50 EJAA O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2907041 YYQHBZPYYSOYHE-ZIAGYGMSSA-N 340.637 4.866 0 50 EJAA CC(=O)c1cccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1 4834871 OSMANRLBGYQLIK-UHFFFAOYSA-N 341.476 4.918 0 50 EJAA CCOC(=O)c1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1 4854952 OIKPATJEPUDAPU-UHFFFAOYSA-N 335.447 4.879 0 50 EJAA C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 170606860 RDXJWDYYYVGSKU-KSFYIVLOSA-N 347.437 4.866 0 50 EJAA CC(C)(C)C[C@@H](NC(=O)c1ccccc1OC(F)F)c1cccnc1 825703846 ZMYOFYKTFIMDEN-OAHLLOKOSA-N 348.393 4.590 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)CCc1cccc(F)c1 952971075 QTSAMNLKJRSWED-LJQANCHMSA-N 328.431 4.543 0 50 EJAA COc1cc(C)nc(COC(=O)CC2CCC3(CCCC3)CC2)c1 1875332739 IECGZXLOEOLYBS-UHFFFAOYSA-N 331.456 4.583 0 50 EJAA CCCC[C@H](COC)NC[C@@H](c1ccc(F)cc1Cl)C(F)F 2325855566 GLEXQTSYHHWMCG-OCCSQVGLSA-N 337.813 4.623 0 50 EJAA O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1ccc(Cl)cc1 174836 PXTIUIJRELCVQI-UHFFFAOYSA-N 342.181 4.947 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCCCC1 211855 YFIOWPSMHSZFEY-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA Cc1nnc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)s1 353811 CVIHZURLSXYUCK-UHFFFAOYSA-N 331.485 4.694 0 50 EJAA Cc1nc2cc(Cl)cc(Cl)c2c(=O)n1-c1ccccc1Cl 363382 BRIYLHLREUIODF-UHFFFAOYSA-N 339.609 4.654 0 50 EJAA COc1ccc(NC(=O)Oc2ccc(F)cc2Cl)c(Cl)c1 400352 BWMKRNFXYZTCKZ-UHFFFAOYSA-N 330.142 4.752 0 50 EJAA Cc1cc(NC(=O)c2ccco2)ccc1-c1cc2ccccc2oc1=O 435015 MYESXRLQCKNVGR-UHFFFAOYSA-N 345.354 4.614 0 50 EJAA Cc1sc(NC(=O)/C=C/c2ccccc2)c(C(=O)OC(C)C)c1C 442399 IGVGVWMBKWFQRV-ZHACJKMWSA-N 343.448 4.582 0 50 EJAA O=c1c2ccccc2nc(-c2ccco2)n1-c1cccc2ccccc12 448669 IVCHLGBGJWEYSY-UHFFFAOYSA-N 338.366 4.799 0 50 EJAA COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OC 469789 XKJZHWJQZTUDBS-UHFFFAOYSA-N 326.223 4.931 0 50 EJAA CCCCC[C@@H](C)OC(=O)COc1ccc(Cl)c2cccnc12 2382732 COYBRKAVBMYYSF-CYBMUJFWSA-N 335.831 4.779 0 50 EJAA biogenic,in-vitro C[C@H](NC(=O)c1ccc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 4997065 LKXQLTCWAQXFDJ-HIGJEIRPSA-N 334.463 4.570 0 50 EJAA CC(C)[C@@H](c1ccccn1)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 67714057 GIYHDXUFUZIWGE-IBGZPJMESA-N 343.434 4.581 0 50 EJAA COc1ccc(CO[C@H]2C(=O)CCC/C=C3/CC[C@H]2C3(C)C)cc1 104308459 FYEFUXJOEIFKLT-YAAMAISJSA-N 328.452 4.696 0 50 EJAA COc1ccc(C=C(C)c2nc(O)c3ccsc3n2)cc1SC 1857532308 AGXYGNNSSPKFIG-UHFFFAOYSA-N 344.461 4.688 0 50 EJAA O=C(c1ccc(C2CCC2)cc1)N1CC[C@]2(CCc3ccccc32)C1 2325772217 AWPQCCVMWWGGAU-HSZRJFAPSA-N 331.459 4.684 0 50 EJAA Cc1cc(C)cc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c1 2815556 WNDHZTJXSJIFJW-KRWDZBQOSA-N 334.246 4.758 0 50 EJAA COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1O 3816587 MQLACMBJVPINKE-UHFFFAOYSA-N 328.367 4.534 0 50 EJAA CC1CCN(CCCOc2ccc(OCc3ccccc3)cc2)CC1 4845325 NXCCEAXDSDHMQI-UHFFFAOYSA-N 339.479 4.766 0 50 EJAA Clc1ccc(OCc2nc(-c3cccs3)no2)c(Cl)c1 6701408 JISZMRMQGLQGPG-UHFFFAOYSA-N 327.192 4.684 0 50 EJAA Cc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl 95387605 JACCGJGQDYPEII-MRXNPFEDSA-N 335.234 4.674 0 50 EJAA Cc1ccnc(Oc2cc(NCc3nccn3C(F)F)ccc2C)c1 154948783 NUMNQQGYAXZBJH-UHFFFAOYSA-N 344.365 4.694 0 50 EJAA Cc1ccc(NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cc1C 664462526 GKMXQONQEZASFS-UHFFFAOYSA-N 348.446 4.776 0 50 EJAA O=C(NCc1ccc(C2CC2)cc1)c1ccccc1-c1ccncc1 1875312452 DBRWSBMXHOPXKY-UHFFFAOYSA-N 328.415 4.556 0 50 EJAA Fc1ccc(SCc2ccc3c[nH]nc3c2)c(Br)c1 1875317503 ZWUNRFGYJAJERE-UHFFFAOYSA-N 337.217 4.757 0 50 EJAA CCC[C@@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 117325 OKCNOPGSYDQNKV-SECBINFHSA-N 341.238 4.875 0 50 EJAA CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 123278 VRTNNBKQJUXLQC-UHFFFAOYSA-N 345.442 4.928 0 50 EJAA COc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1 467301 WKDPAUGQBBETNR-HSZRJFAPSA-N 345.442 4.534 0 50 EJAA O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCCC1 477189 WOFZHPBWFFRLNP-UHFFFAOYSA-N 336.822 4.791 0 50 EJAA Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccco1 2764232 ODIBYBIOAZPLNK-UHFFFAOYSA-N 345.402 4.547 0 50 EJAA CCN(Cc1ccccc1)C1CCN(Cc2c[nH]c3ccccc23)CC1 4745640 UWISHQIHEOOXAU-UHFFFAOYSA-N 347.506 4.654 0 50 EJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2)c1 4841726 GHACVPAUENTQMO-UHFFFAOYSA-N 330.815 4.503 0 50 EJAA Cc1nc(C)c(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)o1 172736554 QPZNCSHATZUWCW-CYBMUJFWSA-N 335.407 4.717 0 50 EJAA Cc1cccc(C(NC2CCC(C(=O)O)CC2)c2cccc(C)c2)c1 263405453 JMMLHTIPVXYDPT-UHFFFAOYSA-N 337.463 4.626 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1nccc(C(F)(F)F)c1Cl 263639678 DDTQAQATUONUTR-UHFFFAOYSA-N 335.112 4.660 0 50 EJAA COc1c(C)cc(Nc2cc(N3CCOCC3)ccc2Cl)cc1C 2356141938 WVZKRUVOBUMYHY-UHFFFAOYSA-N 346.858 4.546 0 50 EJAA CCOc1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1Cl 367784 JCNQYNPJIBNFSP-UHFFFAOYSA-N 336.174 4.561 0 50 EJAA CCC(CC)(C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 396001 ACLKDRRBZHLZPM-UHFFFAOYSA-N 338.451 4.687 0 50 EJAA CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 1807983 YAMZKARZOSRXMG-LFYBBSHMSA-N 343.810 4.559 0 50 EJAA CCN(CC)CCOC(=O)Nc1cc(Cl)c(Cl)cc1Cl 2171516 XQHUZALYYSWNNH-UHFFFAOYSA-N 339.650 4.537 0 50 EJAA O=C(Nc1ccccc1)OCCCCCOC(=O)Nc1ccccc1 2913154 IZQHOEGDCCQHGK-UHFFFAOYSA-N 342.395 4.654 0 50 EJAA COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)c(C)c1C 4985751 MRRLUCMRORGUED-UHFFFAOYSA-N 325.427 4.740 0 50 EJAA Clc1ccc(OCc2ccccc2)c(CNCc2cccnc2)c1 6701591 ZWIRBPGATNAJPD-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA Clc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccco3)C2)cc1 15000826 DQJXOESVADDRJG-OAHLLOKOSA-N 341.842 4.703 0 50 EJAA Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1 35511344 YTBVDAYURVSPER-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA Clc1cccc2nc(CSc3ncnc4ccsc34)oc12 1875262339 ARDHAGVVGKZYMA-UHFFFAOYSA-N 333.825 4.778 0 50 EJAA Cc1c(Br)ccc(NC(=O)[C@H](C)c2ccccc2)c1C 475410 LKYVIBLRLOKCBO-CYBMUJFWSA-N 332.241 4.808 0 50 EJAA C=Cc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 1165276 HKHKTXJKHCOEJX-UHFFFAOYSA-N 326.779 4.977 0 50 EJAA Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1C 2184165 IYVRPHFVFYPMIM-SFHVURJKSA-N 345.442 4.851 0 50 EJAA O=C1Nc2ccccc2Oc2cc(Oc3ccc4c(c3)OCO4)ccc21 4743919 GHKDWAROUPIFOA-UHFFFAOYSA-N 347.326 4.566 0 50 EJAA CCOc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1OC 4985459 ADFLBZSPSOBNMM-UHFFFAOYSA-N 341.426 4.522 0 50 EJAA Cc1ccc2oc(-c3nccn3[C@@H](C)Cc3cnccn3)c(C)c2c1 71746819 KFKBEDOTGXELJN-AWEZNQCLSA-N 332.407 4.507 0 50 EJAA Cc1ccc(N2C(=O)C[C@@H](Sc3ccc4ccccc4c3)C2=O)cc1 100704168 BSLKWSFROGOENL-LJQANCHMSA-N 347.439 4.572 0 50 EJAA C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(N2CCCC2)nc1 126015513 WDXMJIXLUXHEIA-INIZCTEOSA-N 335.451 4.621 0 50 EJAA C[Si](C)(C)c1ccc(CCc2ccc([Si](C)(C)C)cc2)cc1 169815962 MACQDQPJMZCJKA-UHFFFAOYSA-N 326.632 4.562 0 50 EJAA CCc1ccc(CN(C)C(=O)c2c(-c3ccccc3)ccnc2C)cc1 215668391 ARSSUAYSARBMGM-UHFFFAOYSA-N 344.458 4.892 0 50 EJAA COc1ccc([C@H](C)N(C)Cc2cncn2C2CCCCC2)cc1 1529161639 NKRBFUQTLQZROE-INIZCTEOSA-N 327.472 4.590 0 50 EJAA CN(C)C(=O)c1ccc(N[C@@H](c2cccs2)C2CCCCC2)nc1 1704352788 JPSODSMLVYNDCB-GOSISDBHSA-N 343.496 4.578 0 50 EJAA Clc1ccccc1N1CCC[C@@H](Nc2nccc3ccccc23)C1 1875341906 NKSUEGJBJAKFCE-MRXNPFEDSA-N 337.854 4.969 0 50 EJAA O=C(C1c2ccccc2Oc2ccccc21)N1CCc2ccccc2C1 263724 JRKWRGLACVKHLN-UHFFFAOYSA-N 341.410 4.509 0 50 EJAA COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 306892 YVMCVAPSNQKBSD-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA COc1ccc(Cl)cc1NC(=O)N1c2ccc(F)cc2CC[C@H]1C 611371 DMZPLVLIZCJLCR-LLVKDONJSA-N 348.805 4.861 0 50 EJAA O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c3c(cccc13)CC2 1123914 QOFSBAARXFVAAJ-UHFFFAOYSA-N 325.770 4.983 0 50 EJAA FC(F)(F)c1cccc(N2CCN(C3CCCCCCC3)CC2)c1 4981290 HKQFXGOETYYZMU-UHFFFAOYSA-N 340.433 4.940 0 50 EJAA CC[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 8706739 JEUMZKCDNDTXOX-NRFANRHFSA-N 330.431 4.805 0 50 EJAA Cc1nc2ccc(NC(=S)Nc3ccccc3Cl)cc2nc1C 15684669 YVEIFHOTUZBIPH-UHFFFAOYSA-N 342.855 4.709 0 50 EJAA CCCCc1ccccc1NC(=S)Nc1cc(OC)cc(OC)c1 17071908 NIDGREFGQOLHMR-UHFFFAOYSA-N 344.480 4.855 0 50 EJAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccc(F)cc1 36621182 XESJTFRFWNTODR-INIZCTEOSA-N 336.769 4.987 0 50 EJAA Cc1ccc(N(C)C(=O)c2csc(-c3ccco3)n2)cc1Cl 113068421 VBJAZEGCYHVBNZ-UHFFFAOYSA-N 332.812 4.642 0 50 EJAA O=C(c1cc(Cl)ccc1F)N1CCCC[C@H]1CCc1ccccn1 222757796 DEQKORFNBIDFEH-INIZCTEOSA-N 346.833 4.502 0 50 EJAA Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1 43843 ZFVMWEVVKGLCIJ-UHFFFAOYSA-N 336.231 4.509 0 50 EJAA biogenic,in-vitro CCOc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 175236 SWCSRHSLSIDUOE-UHFFFAOYSA-N 326.421 4.564 0 50 EJAA O=C(CSc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 443470 BRWLGEKKQDQMLP-UHFFFAOYSA-N 330.211 4.863 0 50 EJAA C[C@H]1CCCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 534158 NXNOKMVVRQZAJY-HNNXBMFYSA-N 326.465 4.908 0 50 EJAA C[C@@H](Oc1ccccc1)c1nc(-c2cccc(Br)c2)no1 1064093 FVGYFAXFTJLRGX-LLVKDONJSA-N 345.196 4.639 0 50 EJAA CC(C)[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2827850 ZODSOSGOEPUOBA-INIZCTEOSA-N 343.295 4.509 0 50 EJAA O=C(O)COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 4028228 IUZPOFVYQIAPHI-NVEXJGOOSA-N 342.435 4.507 0 50 EJAA biogenic O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccco1 4850822 ZASVVESFIMIFRX-OAHLLOKOSA-N 340.766 4.518 0 50 EJAA O=C(Cc1ccccc1F)Nc1ccc(Cl)cc1C(F)(F)F 13325795 WQWSQPZWWXEQRV-UHFFFAOYSA-N 331.696 4.679 0 50 EJAA Cc1ccc2[nH]c(-c3sc(=S)n(-c4ccccc4)c3N)nc2c1 15684816 LBBANRGLRMEEQN-UHFFFAOYSA-N 338.461 4.702 0 50 EJAA CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 170624633 JGLZFLDOPSAYFQ-IRXDYDNUSA-N 347.336 4.650 0 50 EJAA c1ccc([C@H]2c3cccn3CCN2Cc2cncc3ccccc23)cc1 768423549 HTGAIUMPBLRMKS-QHCPKHFHSA-N 339.442 4.642 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1 8732 GGPZCOONYBPZEW-UHFFFAOYSA-N 337.810 4.599 0 50 EJAA in-vivo COc1ccc(NC(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 133787 IXTOVOHZVAMZKL-UHFFFAOYSA-N 348.402 4.600 0 50 EJAA Cc1cc(C)cc(NC(=O)CCCC(=O)Nc2cc(C)cc(C)c2)c1 143598 OSGBBLFXBAWQAN-UHFFFAOYSA-N 338.451 4.668 0 50 EJAA C/C=C/c1c(F)c(F)c(Oc2ccccc2C(=O)OC)c(F)c1F 472262 FVBZIVZDJCRLAS-ZZXKWVIFSA-N 340.272 4.855 0 50 EJAA C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2ccccc2c1 610399 FYWMXBDAAMGLHD-AWEZNQCLSA-N 339.822 4.749 0 50 EJAA Cc1ccc(C)c(OCCCC(=O)Nc2nc3ccccc3s2)c1 1779876 ILMODHXFZLALHF-UHFFFAOYSA-N 340.448 4.711 0 50 EJAA Oc1ccc(Br)cc1/C=C/c1ccc2ccccc2n1 4117502 NDJYIQKCWCPIPP-RMKNXTFCSA-N 326.193 4.873 0 50 EJAA CCOc1cc(CN(C)[C@@H](C)c2ccccn2)cc(Cl)c1OCC 55393386 WGLOZRXPLGZCCD-AWEZNQCLSA-N 348.874 4.725 0 50 EJAA CCc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 64984809 IQZSDPWIROXQKU-KRWDZBQOSA-N 327.428 4.729 0 50 EJAA CSc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)cc1 72144543 XSBOGRAEWIFYEH-SNVBAGLBSA-N 335.498 4.707 0 50 EJAA COc1ccc([C@H](NC(=O)Nc2ccsc2Cl)C2CC2)cc1 189387570 FCWFKDHYFCGVGV-CQSZACIVSA-N 336.844 4.683 0 50 EJAA CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C)nc1-c1ccccc1 229741115 NRYXUHHABNOEPA-UAGQMJEPSA-N 338.451 4.785 0 50 EJAA Cc1cc(C)cc([C@@H]2C[C@@](C)(O)C[C@H](c3cc(C)cc(C)c3)S2)c1 239415455 UMRMNCQYUXAYLN-ZBYYUNFXSA-N 340.532 5.981 0 50 EJAA CCc1c[nH]c(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)n1 241383341 MUMKKXSQOHGMDG-INIZCTEOSA-N 336.888 4.886 0 50 EJAA CC(C)(C)OC(=O)n1c(O)cc2ccc(OCc3ccccc3)cc21 261493764 IUXDDQFCCQUBKP-UHFFFAOYSA-N 339.391 4.709 0 50 EJAA Cc1cccc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 675030644 BVATZQHBTKNTOF-UHFFFAOYSA-N 335.378 4.965 0 50 EJAA CC(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12 1875388236 SBAPXTZIUQEPCC-UHFFFAOYSA-N 333.844 4.786 0 50 EJAA Cc1ccccc1C[C@H](NC[C@H](CCO)CC(C)C)c1ccco1 2325841064 BSYGFILJLZDAJE-QUCCMNQESA-N 329.484 4.506 0 50 EJAA Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)ccc12 58550 UHJMBYMKRLALBJ-UHFFFAOYSA-N 330.412 4.777 0 50 EJAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1[C@@H](C)CCC2 151138 HOOIMJQJOQDEGF-JTQLQIEISA-N 349.477 4.678 0 50 EJAA O=C(Oc1ccc(Br)c2ccccc12)N1CCCCC1 455122 QPYTYJZTSXXRIK-UHFFFAOYSA-N 334.213 4.587 0 50 EJAA CCOc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2906627 RPDIRFYHSHFGSO-UHFFFAOYSA-N 347.414 4.917 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1ccccc1C(F)(F)F 6153123 WVHQPBNUMUVROY-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA Cc1ccc([C@@H](C)CCN2CCC[C@@H]3CN(CC(C)C)CC[C@@H]32)o1 43016904 FXXGAMALJOCCAU-SXLOBPIMSA-N 332.532 4.524 0 50 EJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1Cn1ccnc1C 67757704 GBAJDRLVDNNHCF-UHFFFAOYSA-N 345.402 4.996 0 50 EJAA CCOc1ccc(Cc2nc(-c3c(C)nc4ccccn34)cs2)cc1 71773477 CBKFVRMNQUKWPX-UHFFFAOYSA-N 349.459 4.756 0 50 EJAA CCCCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 96026441 TUBRAMWZHKDSJN-MRXNPFEDSA-N 344.282 4.864 0 50 EJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1C 96316468 FFLMDJMTUUZMJA-KDURUIRLSA-N 347.414 4.551 0 50 EJAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H]1c1cccs1 242284616 YIDXPZFRIWKIBD-DOMZBBRYSA-N 334.872 4.566 0 50 EJAA Cc1ccc(C(=O)NCC(C)(C)c2coc(-c3ccccc3)n2)c(C)c1 1875316273 FMYOLOVYESEERG-UHFFFAOYSA-N 348.446 4.666 0 50 EJAA CCC(NC(=O)O[C@H]1CCCC[C@H]1C)(C(F)(F)F)C(F)(F)F 66484 YAYJXPWJMARMIR-BDAKNGLRSA-N 335.288 4.565 0 50 EJAA O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccccc1 150943 MTHWZCUSVZVBSA-UHFFFAOYSA-N 342.350 4.679 0 50 EJAA biogenic Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1 246322 GYRPZEPQLFTQJH-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA C[C@@H]1CC(C)(C)N(c2ccccc2)N1C(=S)Nc1ccccc1 286508 FCKYAMQWYNGAHV-OAHLLOKOSA-N 325.481 4.678 0 50 EJAA Cc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 445184 QPXWNFFSMDDZFT-UHFFFAOYSA-N 341.418 4.756 0 50 EJAA Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cn1 471694 RDTSQWPPLGFNMS-UHFFFAOYSA-N 332.119 4.964 0 50 EJAA Cn1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl 1049305 ITFLGKKMNVIFFY-UHFFFAOYSA-N 333.819 4.567 0 50 EJAA CCc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NNC2=O)cc1 1397724 DPAPWHAZVRBINK-AWEZNQCLSA-N 347.245 4.564 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CCCC1 4820422 WHOCDNAWWJSQLK-LEWJYISDSA-N 337.463 4.892 0 50 EJAA CC[C@@H](C)Nc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 7636188 CWCMZOFKEPVIHM-LLVKDONJSA-N 328.847 4.877 0 50 EJAA Cc1ccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)cc1Cl 25759722 WQCJMRVSVFRTFR-UHFFFAOYSA-N 342.613 4.938 0 50 EJAA COc1ccc(COc2ccc([C@H](C)CC(=O)O)cc2)cc1Cl 43190932 DETVUMCTRQOZIW-GFCCVEGCSA-N 334.799 4.506 0 50 EJAA O=C(O)c1cc2ccccc2c(Cc2c(O)ccc3ccccc23)c1O 44122913 HLWNYNJVWZLKCP-UHFFFAOYSA-N 344.366 4.693 0 50 EJAA C[C@@H]1CCC[C@@H](C)N1CC(=O)OC(c1ccccc1)c1ccccc1 96027616 WGPIBJKFCPLPKD-QZTJIDSGSA-N 337.463 4.582 0 50 EJAA C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100548072 ULHXHRCKAFMMRL-BXUZGUMPSA-N 348.229 4.677 0 50 EJAA FC1(F)CCN(c2ccc(C(F)(F)F)c(Br)c2)CC1 169725649 OYYNQIFSBJXEGG-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA COC(=O)c1ccc(NCc2c(C)cc(C)c(C(C)=O)c2C)cc1C 170621105 SVXWPFQYQCGQTM-UHFFFAOYSA-N 339.435 4.522 0 50 EJAA CN(Cc1ccccc1NC1CCC(C(=O)O)CC1)C1CCCCC1 263461086 ITQMMPXENZKOSB-UHFFFAOYSA-N 344.499 4.506 0 50 EJAA Cc1ccccc1-c1cnc(NC(=O)c2ccc3c(c2)CCCN3)s1 2325862023 GMPVBAXWOBBXRU-UHFFFAOYSA-N 349.459 4.729 0 50 EJAA CC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)O 99402 AWXDXVRABYWFCX-OAHLLOKOSA-N 338.432 4.699 0 50 EJAA COc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 129244 ZBKYUOCBQRCGLS-UHFFFAOYSA-N 333.387 4.527 0 50 EJAA CN(C)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 473351 OJAICSWGUJXSSJ-ZHACJKMWSA-N 335.234 4.711 0 50 EJAA CC[C@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1 2983711 OGCMXNUPWYATPW-KRWDZBQOSA-N 344.451 4.683 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(Cl)c1 3136020 RFNSNGDTUMPPHT-UHFFFAOYSA-N 330.746 4.695 0 50 EJAA Cc1cc(C)cc(Nc2ncnc3ccc(Br)cc23)c1 3953645 OIXQPNFKXBNVRG-UHFFFAOYSA-N 328.213 4.753 0 50 EJAA CCOCCOc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 4821057 NUONZRMSRYKMOM-UHFFFAOYSA-N 335.403 4.507 0 50 EJAA O=c1oc2cc(OCc3ccccc3Cl)ccc2c2c1CCCC2 4853513 HAZMZKQLSLJMNY-UHFFFAOYSA-N 340.806 4.904 0 50 EJAA O[C@H](c1ccccc1)c1ccc2cccc(OCc3ccccc3)c2n1 5005615 QAFLFOQVMXAFAB-HSZRJFAPSA-N 341.410 4.896 0 50 EJAA Cc1ccccc1-c1c(-c2ccc(O)c(C)c2O)n[nH]c1C(F)(F)F 5728689 FHSYJXOWJGGOOK-UHFFFAOYSA-N 348.324 4.791 0 50 EJAA COc1c(F)c(F)c(C(=O)Nc2ccccc2C(C)C)c(F)c1F 12383093 VXHBLBUQSBRTAV-UHFFFAOYSA-N 341.304 4.627 0 50 EJAA Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)C1CCCCC1 16527256 KRYJYQOYTBLWRH-UHFFFAOYSA-N 342.464 4.828 0 50 EJAA CCN(CC1CCOCC1)C(=O)c1oc2c(Cl)cc(C)cc2c1C 77485540 MOVPTLMUILLFDU-UHFFFAOYSA-N 349.858 4.592 0 50 EJAA CC(C)Sc1cccc(Cl)c1CNCc1nccn1C(F)F 192509525 RIEBUFOKQISJMY-UHFFFAOYSA-N 345.846 4.722 0 50 EJAA CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3cc[nH]c3c2)s1 194336602 RJSKYMISFUBYKB-GFCCVEGCSA-N 342.468 4.720 0 50 EJAA Oc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 215850500 IWNZOCUGVICDAW-UHFFFAOYSA-N 349.615 4.661 0 50 EJAA in-vitro CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]3(C)/C=C(/C)O)cc1 257346745 WOMYTDHDLVSICM-QJZHNCLQSA-N 348.446 4.971 0 50 EJAA CC(=O)c1cc(C(=O)O[C@@H]2CCCC23CCCC3)ccc1OC(C)C 1875357401 FPCUVFOSEGXBFD-LJQANCHMSA-N 344.451 4.946 0 50 EJAA O=C(Nc1c(C(=O)C2CC2)oc2ccccc12)c1ccc(Cl)cc1 34735 RKNRIBBLARKWCU-UHFFFAOYSA-N 339.778 4.931 0 50 EJAA Clc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 87894 RFKHVSPXAKRFFA-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA O=C1C[C@H](c2ccccc2)CCc2sc(Br)cc2N1 291805 KCEFDBWUOXNUPM-LLVKDONJSA-N 336.254 4.569 0 50 EJAA CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 569594 VKVNNMBMOZXZGA-UHFFFAOYSA-N 344.414 4.954 0 50 EJAA Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4C)c3)nc2c1 1123606 FXDJYDPXYWKHNN-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA Cc1cc(Cl)c(OCCN2CCCCCC2)c(Br)c1 2839079 IRNRKQPPVIPPNJ-UHFFFAOYSA-N 346.696 4.666 0 50 EJAA c1ccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 19364675 IGBRRSIHEGCUEN-DEOSSOPVSA-N 348.534 4.921 0 50 EJAA in-vitro O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC[C@H]1c1ccco1 33012303 MHVFSOGNGZWGJO-HNNXBMFYSA-N 342.782 4.565 0 50 EJAA Cc1nc(-c2ccc(N3CCC(N[C@@H](C)C(C)C)CC3)cc2)cs1 63882627 OZHCFFVASREDBK-HNNXBMFYSA-N 343.540 4.721 0 50 EJAA CCC(CC)n1ncc(C)c1NC(=O)[C@H](c1ccccc1)C(C)C 65434185 URXFFJPNKDKESA-SFHVURJKSA-N 327.472 4.931 0 50 EJAA CCO[C@H](C)c1ncc(C(=O)N(CC)c2ccccc2Cl)s1 408513043 PYKZSHRIIWMHCT-LLVKDONJSA-N 338.860 4.561 0 50 EJAA C1=C2CCCN(C/C=C/c3ccccc3)[C@H]2[C@H]2C[C@H]1[C@H]1CCCCN1C2 1775973375 HGZYCXPDAHHKQI-YNIXWESMSA-N 348.534 4.595 0 50 EJAA C[C@H]1CCCN1C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820192 FFSOUBYSYPJVAV-LBPRGKRZSA-N 341.282 4.653 0 50 EJAA O=C(O)CCNc1cc(Cl)ccc1Oc1ccc(Cl)cc1 58931 IZWZFULJUUBOPD-UHFFFAOYSA-N 326.179 4.672 0 50 EJAA COc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 94249 ASRPDYUBNFCGGI-SAPNQHFASA-N 343.426 4.614 0 50 EJAA biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1 196249 JFAINOURDZXQRS-UHFFFAOYSA-N 326.783 4.580 0 50 EJAA COc1ccc(Cl)cc1NC(=O)COc1cc(C)ccc1C(C)C 310259 FVLHAIBGRYNAKT-UHFFFAOYSA-N 347.842 4.798 0 50 EJAA O=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1 313372 SHXLKBPQSSSMFG-UHFFFAOYSA-N 340.762 4.770 0 50 EJAA CC(C)[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2827851 ZODSOSGOEPUOBA-MRXNPFEDSA-N 343.295 4.509 0 50 EJAA O=C(NCc1ccncc1)/C(=C/c1ccccc1Cl)c1ccccc1 4819073 JWIXSFXVISEERZ-XMHGGMMESA-N 348.833 4.592 0 50 EJAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1ccccc1F 36620802 WDSXEFXHUONQJI-INIZCTEOSA-N 337.316 4.822 0 50 EJAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccccn5)(C4)C2)C3)cc1 100500372 NEJKBCBILXALJY-YUOVDFJASA-N 346.474 4.867 0 50 EJAA CCN(C(=O)Nc1ncc(C(C)C)s1)[C@H](C)c1cccc(O)c1 192390980 WMNQRZNFIIZINA-GFCCVEGCSA-N 333.457 4.587 0 50 EJAA Cc1ccc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 241132940 JNKKQLUMHXVIAJ-INIZCTEOSA-N 335.472 5.118 0 50 EJAA Cc1c([C@@H](NC2CCC(C(=O)O)CC2)C(C)C)oc2ccccc12 263376788 ASEPKAMMJONXGY-JMLCCBQJSA-N 329.440 4.671 0 50 EJAA COc1ccc(-c2csc(C(C)(C)c3ccccc3)n2)cc1O 1875323067 VUBWRMQDNZAFGF-UHFFFAOYSA-N 325.433 4.850 0 50 EJAA C[C@H](N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(-n2ccnc2)c1 1875338981 RXKUASJIGLDAAT-NBHGPNQESA-N 349.453 4.998 0 50 EJAA O=C(c1cccc2c1COC2)N1CCCCC[C@H]1c1cccc(F)c1 2100477890 HOYNSJIZHYXDGQ-FQEVSTJZSA-N 339.410 4.613 0 50 EJAA Cc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1C 149048 DIZBXRIAZZZOIP-UHFFFAOYSA-N 336.460 4.998 0 50 EJAA O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1 182077 YWRZWQZEVHQQKE-UHFFFAOYSA-N 347.399 4.717 0 50 EJAA CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 313695 ZKXCTCHOPCHWTP-UHFFFAOYSA-N 328.412 4.687 0 50 EJAA Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 2697755 SDUDAWOFEQZWMD-UHFFFAOYSA-N 345.377 4.701 0 50 EJAA Cc1ccccc1CSCCNC(=O)[C@H](C)Sc1ccccc1 2813838 CSFCUZYCDYNOOJ-INIZCTEOSA-N 345.533 4.525 0 50 EJAA Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl 3612167 MAYGEHIOSYJAFK-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA O=C(/C=C/c1c(F)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 4902866 YIWYQNGNEPPECO-SNAWJCMRSA-N 333.834 4.577 0 50 EJAA CC(C)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 17265368 NPPONDPRBOWTBX-IEBWSBKVSA-N 326.827 4.866 0 50 EJAA CCc1ccccc1NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 38670839 VJUYOBFYCWSKGW-UHFFFAOYSA-N 348.406 4.784 0 50 EJAA Cc1c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)[nH]c2ccccc12 77377278 WGMAEAVHIGQSQL-IBGZPJMESA-N 336.410 4.983 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1ccccc1 95075 CINTUKOCOXPCRV-GFCCVEGCSA-N 340.810 4.794 0 50 EJAA CCOc1ccccc1OCC(=O)Oc1ccccc1-c1ccccc1 145718 VLIJENXJUANHMX-UHFFFAOYSA-N 348.398 4.737 0 50 EJAA Cc1ccc(C(=O)c2cccc(NC(=O)c3cccc(F)c3)c2)cc1C 461938 ZRUVFRPYLSKAEB-UHFFFAOYSA-N 347.389 4.926 0 50 EJAA O=C(NCCCc1ccccc1)c1sc2ccccc2c1Cl 2752587 NOJUQZPLJBKMCT-UHFFFAOYSA-N 329.852 4.917 0 50 EJAA COc1cc2c(cc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCCC2 4819858 DXUXPHIZIYXGJB-UHFFFAOYSA-N 339.479 4.729 0 50 EJAA CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1 11903324 ZCSRGZQPZJXHHY-GOSISDBHSA-N 349.459 4.653 0 50 EJAA CCN(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 12577681 WKMVETIQZLPUOI-UHFFFAOYSA-N 345.446 4.796 0 50 EJAA Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 75491903 ISXWOJOBUVXRJD-UHFFFAOYSA-N 334.379 4.530 0 50 EJAA CCn1c([C@H](C)NCc2ccc(OC(C)C)cc2)nc2ccccc21 127040532 AIPZWOUBDPBRBR-INIZCTEOSA-N 337.467 4.694 0 50 EJAA Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1cccc(Cl)c1 252489953 KGAKHUISLWSABD-UHFFFAOYSA-N 329.709 4.706 0 50 EJAA Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1 127666 DNTVMWFSYPPYLZ-UHFFFAOYSA-N 342.851 4.993 0 50 EJAA CCN(CC)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(C)c1 557433 VDSCEDSRIXMRCM-UHFFFAOYSA-N 330.859 4.676 0 50 EJAA Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C)c(Cl)c3)C2=O)c1 1187400 DRUCSDFFYPQFFE-HNNXBMFYSA-N 346.839 4.595 0 50 EJAA Nc1cc(-c2ccccc2Cl)nn1-c1ccc(Br)cc1 2532578 LINFMNARNALDAN-UHFFFAOYSA-N 348.631 4.537 0 50 EJAA COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2)cc1 2833415 LLGKLIUNUDTIGA-UHFFFAOYSA-N 333.387 4.669 0 50 EJAA CCc1cccc(C)c1NC(=O)CCc1ccc(OC)c(Cl)c1 4542179 ITLLLVRRFAUBAM-UHFFFAOYSA-N 331.843 4.791 0 50 EJAA Oc1ccc(Br)c(/C=C/c2ccc3cccc(O)c3n2)c1 4755178 MGJMCDYBWOPNOA-FNORWQNLSA-N 342.192 4.579 0 50 EJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1C 18241430 RZYNNRJDLAHMIO-KDURUIRLSA-N 349.430 4.775 0 50 EJAA ON1C(c2cccc(Cl)c2)=NNc2cc(Cl)c(Cl)cc21 25759392 MNTXDTSSZICPPF-UHFFFAOYSA-N 328.586 4.630 0 50 EJAA CC(=O)c1cccc(-c2cc([C@H]3CCN(C/C=C/C(C)C)C3)ccn2)c1 65464006 JXRFWILADKGDJV-BDNZGDGKSA-N 348.490 4.953 0 50 EJAA N#CN(Cc1nc(-c2c(F)cccc2F)cs1)c1ccccc1 130919458 YFUOPWJXVGSTNL-UHFFFAOYSA-N 327.359 4.576 0 50 EJAA CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3OCc3ccccc3)[C@H]1[C@H]2C 239038731 DUWXMXJIRAGQTJ-JAFSTYEPSA-N 348.486 5.801 0 50 EJAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2cn(C)nc2C(C)C)c1C 253432700 MWSMFNCVCAUJSX-SFHVURJKSA-N 340.471 4.529 0 50 EJAA Cc1cc(C)c2cc(NC(=O)c3cc(Cl)cc(Cl)n3)ccc2n1 1288836905 BKQCLIKAKBXCEF-UHFFFAOYSA-N 346.217 4.806 0 50 EJAA CC[C@@H]1C[C@@H](NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCO1 1473966450 XDYMYLDNOCPCQW-UONOGXRCSA-N 330.299 4.818 0 50 EJAA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)cc1 59998 ZDMSZLZFVXBKDU-HMMYKYKNSA-N 325.367 4.698 0 50 EJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(F)cc1 122455 XHSZSPUSTKCWTB-UHFFFAOYSA-N 347.349 4.590 0 50 EJAA O=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1Nc1ccccc1 758690 ZJQZWNLKRBUEKX-UHFFFAOYSA-N 348.358 4.570 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2c1CCCC2 2863138 WDNOBROUHMMGHD-UHFFFAOYSA-N 329.827 4.545 0 50 EJAA Cc1ccccc1-c1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 39400593 ZSGQDDJDISZTLL-FQEVSTJZSA-N 331.463 4.765 0 50 EJAA O=C(Nc1ccccc1CCC(F)(F)F)c1cccc2cc[nH]c12 157013251 KJGVTQZZRMZQEH-UHFFFAOYSA-N 332.325 4.915 0 50 EJAA CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2ccccc2C1 1875323029 SXPZQDITLBLEIL-QGZVFWFLSA-N 335.369 4.575 0 50 EJAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCCCC3)c2c1 45159 GDIUAECSYBESFS-UHFFFAOYSA-N 330.431 4.836 0 50 EJAA CCN1CCC(N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 219944 VMIGEQHFJFTJQO-FQEVSTJZSA-N 328.887 4.503 0 50 EJAA Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccccc2)cc1 450295 FJJLYIQMUJXQBL-UHFFFAOYSA-N 327.387 4.562 0 50 EJAA CCCSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O 2836624 FETFOPLEWSNXRR-UHFFFAOYSA-N 332.494 4.674 0 50 EJAA COc1ccccc1OCCCCOc1cccc(C(F)(F)F)c1 2937492 WEPTWEQAROITSE-UHFFFAOYSA-N 340.341 4.952 0 50 EJAA Brc1c(OCCCCN2CCCC2)ccc2ccccc12 3003191 WMLWXIYHBGFUGG-UHFFFAOYSA-N 348.284 4.857 0 50 EJAA c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 4336651 OMXGMDCWDJHQIA-FQEVSTJZSA-N 342.398 4.771 0 50 EJAA O=C(CCCc1ccccc1)Nc1cc(C(F)(F)F)ccc1F 4821337 AONNAPUVULAHBL-UHFFFAOYSA-N 325.305 4.806 0 50 EJAA CCCc1ccc(Oc2c(C)n[nH]c2-c2ccc(O)c(C)c2O)cc1 18068748 BONHWABVHFBUKR-UHFFFAOYSA-N 338.407 4.850 0 50 EJAA CC(C)N(CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCCC1)C(C)C 33639064 QTMYUJVVJGBKNX-MJGOQNOKSA-N 349.540 4.850 0 50 EJAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(F)(F)C1 67817954 IZQOCOLNAWZYNC-UHFFFAOYSA-N 326.774 4.535 0 50 EJAA C[C@H]1C[C@@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 170620590 KXRCRNJZKXINSK-IRXDYDNUSA-N 335.532 4.789 0 50 EJAA Cc1ccc(CN(C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)C2CC2)o1 1875252159 YOWSECYBMJBMRB-NBVACRFTSA-N 325.408 4.509 0 50 EJAA Cc1nc2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2s1 619116 XIKIYUFWADFRIU-OAHLLOKOSA-N 337.448 4.626 0 50 EJAA O=Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl 2558295 QGQNZBLTCQZGKM-UHFFFAOYSA-N 343.579 4.633 0 50 EJAA C[C@H]1CCCN(CCCOc2ccc(Cl)cc2Br)C1 2823662 XXNKKQHOPHTSDT-LBPRGKRZSA-N 346.696 4.603 0 50 EJAA CC(C)Oc1ccccc1OCCCOc1cccc2cccnc12 2985888 LVZJHCULSIRZLW-UHFFFAOYSA-N 337.419 4.870 0 50 EJAA Cc1ccc2[nH]c(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1 4755243 KNTWTDNACITKML-UHFFFAOYSA-N 341.414 4.720 0 50 EJAA O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccco1 4865909 MKBDGMUYOMNTOK-UHFFFAOYSA-N 326.783 4.797 0 50 EJAA COc1ccc(Br)cc1CN[C@H]1CCCc2ccccc21 4997084 SZJOBSMKAIURNV-KRWDZBQOSA-N 346.268 4.625 0 50 EJAA C[C@H]1CCC[C@@H](C)N1C(=O)CCCOc1ccc(Cl)cc1Cl 16310528 DBIYUFJDAUQTLQ-BETUJISGSA-N 344.282 4.942 0 50 EJAA COCCC[C@@H]1CCCN(C(=O)c2cc(Cl)c(C)c(Cl)c2)C1 91503994 WHZKEONSFAPNNN-ZDUSSCGKSA-N 344.282 4.581 0 50 EJAA Cc1nc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cs1 272372085 HVFHCFHECAQFDK-ZDUSSCGKSA-N 338.480 4.824 0 50 EJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1C 822815975 MQRQOWZSKNQQOZ-UHFFFAOYSA-N 349.434 4.857 0 50 EJAA C[C@H](NCc1cc(O)ccc1Cl)c1ccc2nc(C3CC3)[nH]c2c1 2325771628 BCNXUCAIADSJKI-NSHDSACASA-N 341.842 4.650 0 50 EJAA O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)CCC3 427628 XMOXNUZQOSJZDI-CQSZACIVSA-N 332.230 4.956 0 50 EJAA CC(C)Oc1ccc([C@H](CC(=O)N2CCCC2)c2ccccc2)cc1 487947 IWULHUSXJHRRTB-OAQYLSRUSA-N 337.463 4.618 0 50 EJAA biogenic CC(C)c1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 1397645 RFBJKGPGFZFFEW-QGZVFWFLSA-N 330.811 4.905 0 50 EJAA CCc1cccc(C)c1NC(=O)/C=C/c1cccc(OC)c1Cl 4542732 ZSPYPTZCNGHDSK-VAWYXSNFSA-N 329.827 4.871 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(F)cc(F)c1 4740662 PUUOFKJSEZHDLN-UHFFFAOYSA-N 348.736 4.834 0 50 EJAA Clc1ccccc1COc1ccccc1CNCc1ccccn1 6702415 JLEIELXZFJTJTN-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12 6746067 SJGVXVZUSQLLJB-UHFFFAOYSA-N 345.324 4.575 0 50 EJAA in-vivo CC(C)CCN1CCC[C@@H](c2[nH]ncc2-c2c(F)cccc2F)C1 12242240 FHWNZUNVFPJRJQ-CQSZACIVSA-N 333.426 4.580 0 50 EJAA CCCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl 13281428 VSDDQHZJTBJYAP-UHFFFAOYSA-N 339.222 4.820 0 50 EJAA COCC[C@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)oc1C 14980265 MOVVIBMPDJGUDW-QGZVFWFLSA-N 348.874 4.694 0 50 EJAA C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@H](c1ccc(O)c(OC)c1)O2 17142011 ITDOFWOJEDZPCF-PDCNXBEUSA-N 326.392 4.680 0 50 EJAA biogenic Cc1ccc(NC(=O)Nc2nnc(CC3=CCCCC3)s2)cc1 17163007 OJPASYDNWBPGOH-UHFFFAOYSA-N 328.441 4.533 0 50 EJAA CSc1cccc(N2CCN(CCCCc3ccccc3)CC2)c1 96026873 FKHICPUHVJEOML-UHFFFAOYSA-N 340.536 4.553 0 50 EJAA COC(=O)c1ccc2c(OCc3cccc(C(C)C)n3)cccc2c1 1875323088 WOPLJYNHSFPRHJ-UHFFFAOYSA-N 335.403 4.724 0 50 EJAA Clc1ccccc1N1CCC[C@H](Nc2nccc3ccccc23)C1 1875341905 NKSUEGJBJAKFCE-INIZCTEOSA-N 337.854 4.969 0 50 EJAA Clc1cccc(S[C@@H]2CCN(c3ccnc4cnccc34)C2)c1 2325703888 VQHDXPHVKZSGNI-OAHLLOKOSA-N 341.867 4.654 0 50 EJAA O=C1N[C@@H](c2cccc3ccccc23)Nc2sc3c(c21)CCCC3 178352 VCYSCDPUQVOGDD-GOSISDBHSA-N 334.444 4.634 0 50 EJAA O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(Cl)cc1 319479 UKMHPZMXTQGSMS-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA COc1ccc(C(=O)CCNc2ccc(C(C)C)cc2)cc1OC 409538 UULPDCUCDGHWMG-UHFFFAOYSA-N 327.424 4.512 0 50 EJAA COc1ccc(C)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 476864 WYVWUPNAGJQVBU-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA O=C(NC1CCCCC1)[C@@H]1CC2c3ccccc3C1c1ccccc12 1214732 AKNPMBKQINBFQN-ATKRNPRHSA-N 331.459 4.733 0 50 EJAA Cc1cc(C)cc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1 4835047 JEPLLPXSIRTRIL-UHFFFAOYSA-N 343.434 4.793 0 50 EJAA Brc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1 4982737 GIAKXJVBIUBBGV-QGZVFWFLSA-N 331.257 4.571 0 50 EJAA C[C@@H]1CN(CCCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 20167195 WCIOXRVBDMJIRY-HZPDHXFCSA-N 347.886 4.761 0 50 EJAA Cc1cc(C)cc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 72115658 YYCHEKJKJKACPT-UHFFFAOYSA-N 348.406 4.838 0 50 EJAA CCc1nnc([C@@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)o1 170644313 XEULMWADCDKIIN-CYBMUJFWSA-N 334.423 4.933 0 50 EJAA CCOc1cccc(N[C@H](C)c2cc(Br)ncc2F)c1 762778569 ZDBAZXDBDPVOEQ-SNVBAGLBSA-N 339.208 4.555 0 50 EJAA Cc1cc2c(cc1C)[C@H](c1cc(Br)ccc1F)CC(=O)N2 88895 POGXRPWJRVAECM-LBPRGKRZSA-N 348.215 4.679 0 50 EJAA CC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 115358 VZJQBEURZMGASD-UHFFFAOYSA-N 342.222 4.694 0 50 EJAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12 453291 PSCXANHRBPFFDD-UHFFFAOYSA-N 344.366 4.516 0 50 EJAA Cc1cccc(-n2c(SC(F)F)nnc2-c2cccs2)c1C 613504 XZWMVHXKDWHZBZ-UHFFFAOYSA-N 337.420 4.927 0 50 EJAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(Cl)n2)cc1OC 2904632 PWCHJMIPCTXFIN-UHFFFAOYSA-N 340.810 4.790 0 50 EJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 18241313 XSWDEGDPVXKSFR-PMACEKPBSA-N 347.414 4.551 0 50 EJAA CCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1 38214379 MGKYEWWFHSESJN-UHFFFAOYSA-N 338.432 4.755 0 50 EJAA in-vitro Cc1ccc(C)c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 55292394 UTCWNZGMYZVUEZ-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA CSc1ccccc1[C@](C)(O)[C@@H](c1ccccc1)c1ccccn1 71767237 GVVIRGZGDVHMFR-SFTDATJTSA-N 335.472 4.843 0 50 EJAA Cc1cc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c2cccc(C)c2n1 82138604 MFMJMPUAPAEEGM-LJQANCHMSA-N 334.394 4.578 0 50 EJAA COc1ccc2c(c1F)CC[C@H]2Nc1cccc(-c2ncc(C)o2)c1 675913801 UNQKRTHJZWLJDM-QGZVFWFLSA-N 338.382 4.897 0 50 EJAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC([C@H]2CCCCO2)CC1 888102440 ZCOMMSZSEYZTPI-LJQANCHMSA-N 346.446 4.516 0 50 EJAA C[C@]1(C(F)F)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 1875335740 FNGPFVNXLZIWFY-SYNHAJSKSA-N 347.380 4.517 0 50 EJAA COc1ccc(C)cc1NC(=O)C(c1ccccc1)c1ccccc1 58502 ALCFMFRKTFMVMC-UHFFFAOYSA-N 331.415 4.774 0 50 EJAA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2c2nc3ccccc3n21 107176 YKWULJVVXOGHSJ-QZNJRLLKSA-N 348.405 4.681 0 50 EJAA O=C(Nc1ccccc1-c1ccccc1)c1cc2ccccc2oc1=O 187295 QARMFPXVKANLDK-UHFFFAOYSA-N 341.366 4.712 0 50 EJAA COc1ccccc1NCc1nc2ccccc2n1Cc1ccccc1 237801 JEOTXIHHYCQVKU-UHFFFAOYSA-N 343.430 4.705 0 50 EJAA CCCn1c2ccccc2n2c(C(=O)CC)c(-c3ccccc3)nc12 305189 ONYZGEFKGPGUBW-UHFFFAOYSA-N 331.419 4.959 0 50 EJAA Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1Cl 452991 GZXUXMNYTJYOEU-UHFFFAOYSA-N 346.883 4.899 0 50 EJAA O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Oc1cccnc1 1386236 ZJEQNLMUBSTQKI-UHFFFAOYSA-N 341.370 4.539 0 50 EJAA O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 2839048 JAWNRLZTUAFYAS-UHFFFAOYSA-N 348.233 4.839 0 50 EJAA Cc1nc([C@@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)c(C)s1 20997282 KDUOHGPTWZXGJI-SNVBAGLBSA-N 347.509 4.978 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 244909750 ATOKCVQCCLMGBV-SAUGFPQOSA-N 349.908 4.742 0 50 EJAA CCC(CC)[C@@H]1CCN([C@H](C(=O)O)c2ccc(C(F)(F)F)cc2)C1 1875282405 CDXGTKLKLNIYCR-ZBFHGGJFSA-N 343.389 4.589 0 50 EJAA Fc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 98544 KDYWTCUJINGPRX-UHFFFAOYSA-N 336.435 4.902 0 50 EJAA O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 169128 IGIVWRJICPRDTF-UHFFFAOYSA-N 329.808 4.758 0 50 EJAA COc1ccc(CCN(C)Cc2ccc(C(C)C)cc2)cc1OC 12382965 ITRBRXAQMZRKNK-UHFFFAOYSA-N 327.468 4.502 0 50 EJAA Cc1sc2[nH]c(=S)n([C@H]3C[C@H]3Cc3ccccc3)c(=O)c2c1C 17071600 NSQDUKTXVNCURY-KGLIPLIRSA-N 342.489 4.541 0 50 EJAA CCc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19842331 TUBIVBDSUFUPIB-UHFFFAOYSA-N 344.502 4.720 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1 35511337 LOKFDLKNRADKOV-INIZCTEOSA-N 333.819 4.650 0 50 EJAA Cc1cc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c2cccc(C)c2n1 82138605 MFMJMPUAPAEEGM-IBGZPJMESA-N 334.394 4.578 0 50 EJAA CCCCC(=O)n1c(Cc2ccccc2)c(CCN)c2ccccc21 216012025 WQQBIBNCSCLVDX-UHFFFAOYSA-N 334.463 4.564 0 50 EJAA Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)o1 225417131 CAJAREAUWWJJOO-HNNXBMFYSA-N 326.440 4.523 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 244909749 ATOKCVQCCLMGBV-IKOPJOCTSA-N 349.908 4.742 0 50 EJAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1F 398827 KCRCVBAXDSVFES-UHFFFAOYSA-N 348.588 4.803 0 50 EJAA O=C(CCc1nc2ccccc2s1)c1ccc(Br)cc1 619208 GRAWJVUIFVOYLU-UHFFFAOYSA-N 346.249 4.874 0 50 EJAA C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2 900152 ITDOFWOJEDZPCF-OTBILJLCSA-N 326.392 4.680 0 50 EJAA biogenic,in-vitro Cc1cc(OCc2ccccc2Cl)c2c(C)c(C)c(=O)oc2c1 1164391 MEYAUAMCPPVPBO-UHFFFAOYSA-N 328.795 4.951 0 50 EJAA COc1cccc(OCCOCCOc2cc(C)ccc2C(C)C)c1 2984306 WOIBMLQOXGIZAD-UHFFFAOYSA-N 344.451 4.601 0 50 EJAA CCN(Cc1ccccc1)Cc1nc(-c2cc(F)cc(F)c2)oc1C 15068744 IANZHTZQQQLZEV-UHFFFAOYSA-N 342.389 4.950 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)cc1C 17112968 PFVQOVHKRFBSSF-UHFFFAOYSA-N 338.436 4.774 0 50 EJAA Oc1cccc(CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)c1 20295060 ALBFHBJRQUZONC-JOCHJYFZSA-N 331.415 4.528 0 50 EJAA Cc1coc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1 154583941 CJXVOBKONIVPTN-UHFFFAOYSA-N 346.308 4.921 0 50 EJAA COC(=O)c1ccc(-c2c[nH]c3ncccc23)c(-c2ccccc2)c1 1875336541 AYPWWCJKAGUGFE-UHFFFAOYSA-N 328.371 4.684 0 50 EJAA COc1cc(NC(=O)Nc2cccc(C3COC3)c2)ccc1C(C)C 2325813101 LPFXXJLDWDPUTO-UHFFFAOYSA-N 340.423 4.576 0 50 EJAA CCC1(CC)Cc2ccccc2C(c2cc3ccccc3oc2=O)=N1 202965 IOVLVQPJOGBYPC-UHFFFAOYSA-N 331.415 4.745 0 50 EJAA Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3[nH]2)c(C)c1 271767 WVNLOGKCNLFUOC-UHFFFAOYSA-N 339.464 4.527 0 50 EJAA S=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 459392 CGHSKLJYMZVMHM-UHFFFAOYSA-N 347.487 4.701 0 50 EJAA C[C@@](O)(c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 3124725 QGFOPLXFCMRMBI-XMMPIXPASA-N 328.455 4.826 0 50 EJAA OC[C@]1(CCc2ccccc2)CCCN(Cc2ccc(Cl)s2)C1 11720124 XZEUQGPHDOVSQY-IBGZPJMESA-N 349.927 4.609 0 50 EJAA CC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 17042733 COMUCOMSKHOKCP-UHFFFAOYSA-N 347.422 4.539 0 50 EJAA COc1cc(/C=C/COC(=O)CCCC/C=C/C(C)C)ccc1O 62592246 ZEWSMOFWZCBFSU-OAMUUVBCSA-N 332.440 4.730 0 50 EJAA in-vitro Cc1c(Cl)cc(C(=O)N2CCC[C@H]2c2cccnc2)cc1Cl 95387606 JACCGJGQDYPEII-INIZCTEOSA-N 335.234 4.674 0 50 EJAA Cc1cc([C@@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)on1 97772716 OELRLAVTYPFZHK-INIZCTEOSA-N 327.815 4.522 0 50 EJAA Cc1cscc1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 176003165 PPTIDBLPGWKQQQ-UHFFFAOYSA-N 340.423 4.606 0 50 EJAA C[C@H]1c2ccccc2O[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299752056 SOMBAGLBFCGAKL-ZAUBIYILSA-N 348.402 4.552 0 50 EJAA Cc1cc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)ccn1 1875306661 BOPDDDFQUVUPJF-INIZCTEOSA-N 332.451 4.763 0 50 EJAA S=C(Nc1ccccc1)NC1c2ccccc2Oc2ccccc21 307307 RHLUJLXQZPVFFX-UHFFFAOYSA-N 332.428 4.868 0 50 EJAA Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 464910 WARVYRGAKZOFIT-CYBMUJFWSA-N 337.341 4.728 0 50 EJAA COc1ccc(OCCCC(=O)Nc2cccc3ccccc23)cc1 1778299 OVOKJXGBACHUCY-UHFFFAOYSA-N 335.403 4.646 0 50 EJAA O=C1C(=O)N([C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc21 2469655 VTKMMMHPJUAGAE-LJQANCHMSA-N 347.801 4.659 0 50 EJAA c1ccc(COc2ccc(OCCCNC3CCCC3)cc2)cc1 2844369 ZUGPSGKUGNCHML-UHFFFAOYSA-N 325.452 4.567 0 50 EJAA Cc1csc([C@H](C)N(C)Cc2nc(-c3cccs3)oc2C)n1 14958300 HLPUBCIIOJGKGL-NSHDSACASA-N 333.482 4.669 0 50 EJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3cc(C)on3)oc2c1 92061646 MMQGUYCEMVNJHF-QGZVFWFLSA-N 338.407 4.713 0 50 EJAA O=C(Nc1ccccc1)O[C@H]1[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2 239339187 LURDPRCEUSFKGO-LEAZDLGRSA-N 342.483 4.668 0 50 EJAA C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)nc2)C1 796611405 DXVZOBAPPSAHCF-CJNGLKHVSA-N 329.831 4.740 0 50 EJAA CC(C)(C)c1nn(-c2ccccc2)cc1CNc1cc2cc[nH]c2cn1 1179044538 HSRIWKXAYLQPLO-UHFFFAOYSA-N 345.450 4.658 0 50 EJAA CCN(c1ccc(NC(=O)c2ccnc(-c3ccco3)c2)cc1)C(C)C 1349729869 DWSJNFKFWHHBDZ-UHFFFAOYSA-N 349.434 4.829 0 50 EJAA c1ccc(-c2cccc3c2OCC[C@H]3NCc2cnc(C3CC3)[nH]2)cc1 2325788798 GJDDOBZVAUFOHI-HXUWFJFHSA-N 345.446 4.568 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1 176000 XOEZGULUWZGRIS-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 242421 BUOTWVGLVKEEAR-VGOFMYFVSA-N 337.419 4.639 0 50 EJAA COc1ccc2cc(C=O)c(Sc3ccc(Cl)cc3)nc2c1 309949 QSPHTSJGDBVJJZ-UHFFFAOYSA-N 329.808 4.861 0 50 EJAA CC(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(C)C)cc2)cc1 461386 FVIQONPIHPTVQL-UHFFFAOYSA-N 340.423 4.668 0 50 EJAA Cc1cc(C)cc(C(=O)Nc2c(C)cc(Br)cc2C)c1 588380 FAFFVEQGLWSZRI-UHFFFAOYSA-N 332.241 4.935 0 50 EJAA C[C@H]1CCc2c(C(=O)N[C@H]3CCCc4ccccc43)csc2C1 1460316 WJGVSNBXPNQRGK-UGSOOPFHSA-N 325.477 4.680 0 50 EJAA CCOc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 2521009 PBPXIMBNPFLXEM-UHFFFAOYSA-N 348.240 4.533 0 50 EJAA CCOc1ccc(OCCOCCOc2cccc(C(C)C)c2)cc1 2937483 BYAVOLPIDPRANQ-UHFFFAOYSA-N 344.451 4.683 0 50 EJAA Cc1ccc(OCCCCN2CCC(C)CC2)c(Br)c1 2957033 LCCTUHKKBTUVSS-UHFFFAOYSA-N 340.305 4.648 0 50 EJAA OC1(c2cncc3ccccc23)c2ccccc2CCc2ccccc21 4759868 OZXKMCRXUAQMAI-UHFFFAOYSA-N 337.422 4.618 0 50 EJAA Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 8770763 DVLPNCHMIOSWCY-UHFFFAOYSA-N 330.359 4.649 0 50 EJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccco2)cc1 12003234 JKVRAPCWLHSUQM-FQEVSTJZSA-N 349.478 4.930 0 50 EJAA Cc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1C 13746031 NUKKKUBDZMOCOH-ZDUSSCGKSA-N 347.256 4.949 0 50 EJAA Nc1c(-c2ccncc2)sc2nc(C3CC3)cc(C(F)(F)F)c12 36360136 SOCNAELMMYFAKR-UHFFFAOYSA-N 335.354 4.837 0 50 EJAA CC[C@H](c1ccncc1)n1ccnc1-c1c(F)ccc(Cl)c1F 71765279 MAIHZTMNKMUIIW-CQSZACIVSA-N 333.769 4.876 0 50 EJAA CC[C@H](O)Cn1ccc(-c2cccc(-c3cnc4ccccc4c3)c2)n1 82039467 PLPXFQJTHUMAHT-FQEVSTJZSA-N 343.430 4.536 0 50 EJAA Fc1ccccc1OC1CN(C(c2ccccc2)c2ccccc2)C1 101741057 OVXNDTNPERTDGP-UHFFFAOYSA-N 333.406 4.678 0 50 EJAA Cc1ccc(Oc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2)nn1 170651605 YDSULEVQZUVURV-IBGZPJMESA-N 335.382 4.816 0 50 EJAA O=C(c1cc2sccc2[nH]1)N1CC[C@H](c2ccccc2Cl)C1 223241566 JZFAQEFFSFHUOT-NSHDSACASA-N 330.840 4.513 0 50 EJAA C/C=C/[C@H]1OC[C@@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@H]1[C@H]2C 252693350 CSSJDGXKUUQMTC-POVMLMNISA-N 349.515 4.712 0 50 EJAA biogenic CC[C@H](NC(=O)N1C[C@H](C(C)C)c2ccccc21)c1c(C)noc1C 331653354 MLEDYHSLAFMXHL-SJORKVTESA-N 341.455 4.712 0 50 EJAA Cc1cc(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)ccc1F 1264945866 XKAMHHHYFZWMTQ-UHFFFAOYSA-N 349.409 4.514 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1ccc(C(C)C)c(F)c1 2325841990 LOPIXUORVREWRA-MSOLQXFVSA-N 343.486 4.759 0 50 EJAA CC[C@H](C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 245858 WWAWCXSEGBRVOA-AWEZNQCLSA-N 331.481 4.926 0 50 EJAA CCOc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1C 302385 GISBEBMFOCHETI-UHFFFAOYSA-N 328.339 4.740 0 50 EJAA COc1cc2ccccc2cc1C(=O)Nc1cccc2ncccc12 556610 NOYBNSOUJMNSLE-UHFFFAOYSA-N 328.371 4.649 0 50 EJAA Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1C 3886777 ZQMWJXLRSXANPU-UHFFFAOYSA-N 342.489 4.605 0 50 EJAA CN1[C@@H](CC(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C 3957433 AUSGKSYHQUASAZ-SFHVURJKSA-N 342.870 4.676 0 50 EJAA O=C(N1CCC(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 4836844 ZFXHSAIBQASUIG-UHFFFAOYSA-N 337.507 4.684 0 50 EJAA CC(=O)c1ccccc1OCCCCOc1cccc2cccnc12 4842353 WQHJEFWPJAGABS-UHFFFAOYSA-N 335.403 4.675 0 50 EJAA CCOc1ccccc1NC(=S)N[C@@H](C)c1cc(C)ccc1C 13931262 QYFMQDRFQWQQTM-HNNXBMFYSA-N 328.481 4.750 0 50 EJAA Brc1c(OCCCCn2ccnc2)ccc2ccccc12 22310042 BCZZXBZZMCHQMO-UHFFFAOYSA-N 345.240 4.658 0 50 EJAA Cc1cccc(NC(=O)[C@@H]2[C@@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 239310476 ILZRVBWTTJKFOR-SUJAAXHWSA-N 338.278 4.790 0 50 EJAA aggregator CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 253498265 FDCINQSOYQUNKB-DXUNKFAKSA-N 332.484 4.530 0 50 EJAA CCc1ccccc1N1C(=O)[C@H](c2ccc(Cl)cc2Cl)N=C1O 328595500 WPXGECAFSGDQIF-HNNXBMFYSA-N 349.217 4.558 0 50 EJAA Cc1cccc(COc2cccc(NC(=O)/C=C/c3ccncc3)c2)c1 2325726878 UMXKMFYMKIWXOU-CMDGGOBGSA-N 344.414 4.621 0 50 EJAA c1cc(CN[C@@H]2CCCSc3ccccc32)cc(Cn2ccnc2)c1 2325742100 PXDPBDULBZVYPT-HXUWFJFHSA-N 349.503 4.648 0 50 EJAA O=S(=O)(Nc1cccc2occc12)c1scc(Cl)c1Cl 2325841547 ZKXHMIFOBFTVMD-UHFFFAOYSA-N 348.232 4.602 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2s1 36109 QXDJICHYSSEFER-UHFFFAOYSA-N 348.880 4.989 0 50 EJAA Cc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 186797 OSFHFLPITLKMLA-UHFFFAOYSA-N 325.415 4.969 0 50 EJAA Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O 268007 PBTZYSLIGDMBKI-UHFFFAOYSA-N 331.371 4.613 0 50 EJAA Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c(C)c1 348654 DMGNMXUFEQDZRT-UHFFFAOYSA-N 349.430 4.946 0 50 EJAA O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc2ccccc2o1 528385 LNUAWVILFHOUFW-UHFFFAOYSA-N 340.810 4.939 0 50 EJAA CN(C)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 4759224 FLKARPXORDXVQX-UHFFFAOYSA-N 344.458 4.595 0 50 EJAA Cc1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@H]2c1ccc2c(c1)OCO2 245377367 KCUMDOBAIIFHQY-SIIHOXLZSA-N 328.433 4.931 0 50 EJAA C[C@@H](NC(=O)C1(c2cccnc2)CC1)c1ccc(-c2ccccc2)cc1 253431213 QOGDCSKXGJBIRQ-QGZVFWFLSA-N 342.442 4.658 0 50 EJAA CCCc1ncc(CN[C@H](C)c2oc3ccc(OC)cc3c2C)o1 453395181 TVHZUFDIPWRROA-CYBMUJFWSA-N 328.412 4.541 0 50 EJAA Cc1cc2oc(C(=O)Nc3nnc(CC(C)C)s3)c(C)c2cc1C 353029 USNUMRNUOWXFEV-UHFFFAOYSA-N 343.452 4.660 0 50 EJAA O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)C1CCCCC1 375313 UDKGYXPPHLBUOB-UHFFFAOYSA-N 328.456 4.724 0 50 EJAA Cc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1C 450777 FUXNSLKIXFUSQV-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1C[C@H]1c1ccccc1 475852 AEIJUXXVEWCNGC-HOTGVXAUSA-N 338.407 4.691 0 50 EJAA CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1NO 5668242 UQUZACARYMVGCX-UHFFFAOYSA-N 342.386 4.719 0 50 EJAA CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(C1CCC1)CCO2 15005755 FZODQJUXLSVGRQ-JOCHJYFZSA-N 337.463 4.559 0 50 EJAA CCc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)o1 19939380 BQARBPFQXDPZGI-SFHVURJKSA-N 349.478 4.920 0 50 EJAA COc1ccc(C[C@@H](C)N2CC=C(c3ccc(F)cc3)CC2)cc1 23280987 LPLSRQFZOIHPBP-MRXNPFEDSA-N 325.427 4.555 0 50 EJAA CC[C@H](c1ccccn1)N(C)C(=O)c1oc2c(C)c(C)ccc2c1C 77287930 YMQJAVMVGKZPHS-GOSISDBHSA-N 336.435 4.976 0 50 EJAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cnn([C@H](C)C2CC2)c1 189321849 JURJXWPOCOSXNU-LLVKDONJSA-N 342.830 4.550 0 50 EJAA Cc1ccc(CN(Cc2ccncc2)C[C@H]2CCOC(C)(C)C2)s1 244874918 XJOHMGRWZGXONG-SFHVURJKSA-N 344.524 4.659 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257355725 CGMZETDGTMDEAD-ABRYLDAPSA-N 332.528 4.841 0 50 EJAA C[C@@H](N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CCOCC1 467440765 XDDOZEGXAUNZAN-KCPJHIHWSA-N 328.283 4.644 0 50 EJAA CC1(C)C[C@]1(C(=O)Nc1ccc2scnc2c1)c1cccs1 952977757 CXQULXSZUHIRFJ-QGZVFWFLSA-N 328.462 4.664 0 50 EJAA C[C@H](CN(C)C(=O)c1sccc1-n1cccc1)C1CCCCC1 1454623733 JUSFZFQIMSWGQL-OAHLLOKOSA-N 330.497 4.827 0 50 EJAA CCCCC[C@H](O)c1nc(CCC)nn1-c1ccc(F)c(Cl)c1 1875347624 AEUZJOYXSRINKM-HNNXBMFYSA-N 339.842 4.626 0 50 EJAA C[C@@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 87996 OUFIYTUFYOPUJU-KKSFZXQISA-N 328.415 4.889 0 50 EJAA CCc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1 131715 FYPVYOPNQQQIRT-UHFFFAOYSA-N 346.455 4.736 0 50 EJAA Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c(Cl)c1 406781 JONCMRSPKDOGRU-CVEARBPZSA-N 345.233 4.731 0 50 EJAA O=C(CSc1nc2ccccc2o1)Oc1ccc2ccccc2c1 445897 XDCSTSZFEJGMNG-UHFFFAOYSA-N 335.384 4.679 0 50 EJAA Cc1cccc([C@H](CC(=O)NC2CCCCC2)c2ccccc2)c1O 3628041 SDFNAEZSSRFFAV-HXUWFJFHSA-N 337.463 4.672 0 50 EJAA CC(C)(C)c1csc(NC(=O)c2ccc(Br)s2)n1 6693071 IEFSWEDQKGYBPN-UHFFFAOYSA-N 345.287 4.517 0 50 EJAA Cc1cccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c1C 64985012 BHMMEGMIINUHRJ-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA O=C(Nc1ccccc1F)N1CCCC[C@@H]1CCc1cccc(O)c1 72121896 NKEZDUXHPKGVMO-MRXNPFEDSA-N 342.414 4.551 0 50 EJAA CCOc1ccc(CN(CC)C(=O)c2cc(F)cc(Cl)c2)cc1 952978010 DDPVXHLOYPOXJI-UHFFFAOYSA-N 335.806 4.540 0 50 EJAA C[C@@H](C(=O)NC1(Cc2ccc(Cl)cc2)CCC1)c1ccccc1 1460525283 BNQPCRJGVVSVDG-OAHLLOKOSA-N 327.855 4.725 0 50 EJAA Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl 150817 WVEAECCTPHJIKY-CABCVRRESA-N 331.843 4.602 0 50 EJAA COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1ccc(F)cc1)N2 285445 DSAQHSCMMOOKBN-RBUKOAKNSA-N 343.398 4.632 0 50 EJAA CCc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1 316192 HEEWAWPRWSYEQX-UHFFFAOYSA-N 344.386 4.903 0 50 EJAA Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 439711 IKHVSGMIKQDULJ-QFIPXVFZSA-N 340.426 4.987 0 50 EJAA C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 472142 UKYHTWPFVILLSJ-MRXNPFEDSA-N 345.398 4.857 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 522740 RDWVAWGIWUTCSH-UNMCSNQZSA-N 341.414 4.632 0 50 EJAA C[C@H](Oc1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 619755 AIGSIKMOIYOLFB-INIZCTEOSA-N 345.398 4.589 0 50 EJAA Cc1ccc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 2881007 HDKCZXGHCMAVDI-LBPRGKRZSA-N 328.462 4.724 0 50 EJAA CC(C)c1ccc(C(=O)C[C@H](C(=O)O)c2c[nH]c3ccccc23)cc1 3107802 PTZCDQVNXDWXFD-KRWDZBQOSA-N 335.403 4.733 0 50 EJAA Cc1cc2ccccc2n1CCC(=O)N(C)[C@@H](C)c1cccs1 63835745 UUPRGPAJZFTASP-HNNXBMFYSA-N 326.465 4.621 0 50 EJAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)no2)C1 101639702 PGWRDOBGUKDGOG-MGPUTAFESA-N 342.414 4.522 0 50 EJAA O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@@H]21 169727436 YYQMQAMHCREBFZ-OALUTQOASA-N 337.399 4.572 0 50 EJAA CC(C)C[C@H](NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1cccs1 222254200 SIBXVZAITTWSIZ-IXDOHACOSA-N 337.529 4.793 0 50 EJAA CC(=O)c1sccc1-c1ccccc1C(=O)N(C(C)C)C(C)C 534637029 JRCGPQQPJUDVHP-UHFFFAOYSA-N 329.465 4.877 0 50 EJAA CCOc1cccc(N[C@@H](C)c2cc(Br)ncc2F)c1 762778567 ZDBAZXDBDPVOEQ-JTQLQIEISA-N 339.208 4.555 0 50 EJAA Cc1ccc(-c2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)on2)cc1 1775975341 ACUZEQPBWILNMB-IAGOWNOFSA-N 336.366 4.531 0 50 EJAA COc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 88346 BECGLPNUZKTPBB-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)c1 470175 SRIZXZOGUCGQFO-UHFFFAOYSA-N 325.433 4.566 0 50 EJAA Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C)c(Cl)c3)C2=O)c1 1187402 DRUCSDFFYPQFFE-OAHLLOKOSA-N 346.839 4.595 0 50 EJAA C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccncc2)nc2ccccc12 1460361 RPXVZWKOTCPEBI-HOTGVXAUSA-N 345.446 4.700 0 50 EJAA O=C1C=C(NC(c2ccccc2)c2ccccc2)C2(CCCCC2)O1 12376018 FRUIOJNSBDHXFS-UHFFFAOYSA-N 333.431 4.509 0 50 EJAA CCCCNC(=O)OC[C@@]12CO[C@H](CCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 252693611 FGCOUMUUNRBVMZ-KLBVCGFUSA-N 337.504 4.546 0 50 EJAA biogenic Cc1nc2cc(-c3cc(F)ccc3OCc3ccncc3)cc(C)c2[nH]1 2325776801 ADGKXQSJWVWQOF-UHFFFAOYSA-N 347.393 4.960 0 50 EJAA O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 36010 VHPRNEUNRCHFFZ-UHFFFAOYSA-N 328.626 4.619 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 38872 OQWLIBGZGWQRJZ-UHFFFAOYSA-N 333.387 4.805 0 50 EJAA Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 121394 SDGLCWWBAIPQMB-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA COc1ccc(Br)cc1C(=O)Nc1ccc(C(C)C)cc1 316876 BRBUCEBEVXFHSI-UHFFFAOYSA-N 348.240 4.833 0 50 EJAA CCCO[C@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 65357306 ODDYUOLKZKIIMG-SFHVURJKSA-N 338.451 4.777 0 50 EJAA c1coc([C@H]2CCCCCN2Cc2c[nH]c(CC3CCCC3)n2)c1 72473044 XAZCXBAYVMKELN-GOSISDBHSA-N 327.472 4.853 0 50 EJAA C[C@@H]1CCN(C(=O)Nc2ccncc2)[C@@H]1c1ccc(C(F)(F)F)cc1 118974635 AHCMTPMHPUREBV-WBMJQRKESA-N 349.356 4.715 0 50 EJAA Fc1ccccc1Cn1ccc2ccc(N[C@H]3CCn4ccnc43)cc21 1875408133 PCHBMSWZEALECK-IBGZPJMESA-N 346.409 4.582 0 50 EJAA CCC(NC(=O)O[C@H]1CCCC[C@@H]1C)(C(F)(F)F)C(F)(F)F 66487 YAYJXPWJMARMIR-IUCAKERBSA-N 335.288 4.565 0 50 EJAA Cc1ccc(C(=O)Oc2ccc(Br)cc2Cl)cc1 358972 BOUSVOHYLHAZHF-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 613954 YFCSATRLCOPWGF-OAHLLOKOSA-N 339.435 4.593 0 50 EJAA C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1Cl)c1cccc(O)c1 112458489 MVSHESUCIXRLCI-FZKQIMNGSA-N 344.842 4.653 0 50 EJAA CCOc1cc2c(cc1CN1CCC[C@H]1c1c(C)noc1C)CCC2 215939412 GKVZWNQEUKMUGC-IBGZPJMESA-N 340.467 4.516 0 50 EJAA CSCc1ccc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)o1 221302711 DHVIDUIIJTZBMZ-CQSZACIVSA-N 349.883 4.816 0 50 EJAA Clc1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)nc1 886030845 WBYLQDFSDCDCKJ-UHFFFAOYSA-N 338.842 4.547 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)[C@@H](C)c2ccc(F)cc2F)c1C1CC1 1336228638 ONEPZEFKDWFJKP-RYUDHWBXSA-N 347.409 4.752 0 50 EJAA c1nc(Oc2ccc(C3SCCCS3)cc2)c2cc[nH]c2n1 1875253151 RFFYGSGCERYKKJ-UHFFFAOYSA-N 329.450 4.619 0 50 EJAA c1cc(CN[C@@H]2CCOCC23CCCCC3)cc(CC2CCC2)c1 2325841891 ITXOMGMQFHDPMH-OAQYLSRUSA-N 327.512 4.858 0 50 EJAA COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 439611 CTHXARWIOXCLQY-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA O=C(Nc1cccc(CCc2ccccn2)c1)c1ccc(Cl)cc1 614095 TVWFRJGYXOOKMN-UHFFFAOYSA-N 336.822 4.773 0 50 EJAA CSc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C=O)cc1 732195 UAXDMJWJLRHEOU-UHFFFAOYSA-N 328.824 4.727 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 2814789 FXOYHGBDSMZURR-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA Cc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)s1 15227167 CRINHNBBLBNJIA-JYRVWZFOSA-N 335.837 4.951 0 50 EJAA CC(=O)c1ccc(-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)cc1 20601186 AKTGABHZKVWBLU-NRFANRHFSA-N 346.430 4.599 0 50 EJAA Cc1cc(Cl)cc(-c2cn(C(C)C)nc2C)c1OC1CCNCC1 1875330276 VXSNTXGNVDGMJI-UHFFFAOYSA-N 347.890 4.532 0 50 EJAA O=C(Nc1cccnc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 451273 APLCMLRUKRLNNG-UHFFFAOYSA-N 333.174 4.901 0 50 EJAA COc1cc(C=O)cc(Cl)c1OC(=O)c1ccc(C(C)(C)C)cc1 615702 BDSDYSCYEWRRNV-UHFFFAOYSA-N 346.810 4.678 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)ccc12 2126495 DKXOTHZYYUKLHR-UHFFFAOYSA-N 338.403 4.723 0 50 EJAA biogenic O=C1CC(Nc2ccc(C3CCCCC3)cc2)=NN1c1ccccc1 2581480 QKUSSWRSHPNKKR-UHFFFAOYSA-N 333.435 4.897 0 50 EJAA COC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 3469582 SETZBWRFOSVMDE-UHFFFAOYSA-N 329.808 4.917 0 50 EJAA Cc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1C 4310110 USGVWMVHNHMKPV-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA CCCCOc1ccc(-c2nc(-c3cccs3)cc(=O)o2)cc1 4754358 GFGPKKBDYALJBL-UHFFFAOYSA-N 327.405 4.609 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Cl 9064364 JJMLPXMOJPQQLJ-UHFFFAOYSA-N 336.822 4.887 0 50 EJAA C[C@@]12CC3CC(CNC(=S)Nc4ccccc4)(C1)C[C@](C)(C3)C2 15685054 CPFTZMYAXMCMFH-LGMBCPCJSA-N 328.525 4.970 0 50 EJAA c1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 22455483 PXUHRDCBWROCBL-UHFFFAOYSA-N 334.507 4.531 0 50 EJAA O=C(O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 38846715 DDTQLPXXNHLBAB-CYBMUJFWSA-N 330.689 4.564 0 50 EJAA in-vitro CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)no1 64984614 MQAGPTZHQIGLLK-QGZVFWFLSA-N 347.846 4.958 0 50 EJAA Fc1ccc(Oc2ncccc2CNc2ncccc2Cl)c(F)c1 67834430 CVBSGIGCEOSFEL-UHFFFAOYSA-N 347.752 4.813 0 50 EJAA Clc1ccc2c(c1)CN(Cc1ccc([C@H]3CCCO3)s1)CCO2 215171084 DZJQYDYHDBXQBO-QGZVFWFLSA-N 349.883 4.648 0 50 EJAA Cc1ncsc1CN[C@@H](C)c1csc(-c2ccccc2F)n1 462823007 RFJAYLACKDODRB-JTQLQIEISA-N 333.457 4.565 0 50 EJAA Cc1ccc2c(c1)SCCCN2C(=O)Cc1cncc2ccccc12 1450805554 ZGIZVDIKELFXOQ-UHFFFAOYSA-N 348.471 4.615 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cncc(F)c1 1875261308 ZVVISHCKEMGNMM-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA COc1ccc(Cc2nc(-c3ccoc3Cl)n(C(C)C)n2)cc1F 1875347143 IPUBNNABASEWHB-UHFFFAOYSA-N 349.793 4.511 0 50 EJAA O=C(/C=C/c1ccncc1)Nc1ccccc1Oc1cccc(F)c1 2325714900 XBRUDFLYJMPITR-CMDGGOBGSA-N 334.350 4.665 0 50 EJAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1 132038 LCJXFEDUYVAIPH-UHFFFAOYSA-N 337.400 4.528 0 50 EJAA COc1ccccc1-n1c(S)nnc1-c1ccc(C(C)(C)C)cc1 203427 YNSNGCPFNRJIDL-UHFFFAOYSA-N 339.464 4.529 0 50 EJAA Cc1ccc(Cn2c(NC(=O)c3ccccc3)nc3ccccc32)cc1 274167 PCFJXERUPRGNCK-UHFFFAOYSA-N 341.414 4.645 0 50 EJAA COC(=O)c1c(C)oc2ccc(OCc3ccccc3Cl)cc12 407217 UPPSMHQMFBCFOX-UHFFFAOYSA-N 330.767 4.760 0 50 EJAA biogenic CCNc1nc(Sc2ccc(Cl)cc2)cc(C(F)(F)F)n1 1396694 LWBIZZBVRGUBDA-UHFFFAOYSA-N 333.766 4.732 0 50 EJAA O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1 1542568 FTJXZACAQRDRNT-UHFFFAOYSA-N 339.454 4.743 0 50 EJAA in-vitro CCCCOc1ccccc1OCCn1cnc2cc(C)c(C)cc21 2879721 APONLIMMFMPYKF-UHFFFAOYSA-N 338.451 4.911 0 50 EJAA COc1cc(C=O)ccc1OCCCCOc1ccc(C(C)C)cc1 2985541 UVGMOURPQLSFSQ-UHFFFAOYSA-N 342.435 4.869 0 50 EJAA CCc1ccc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)o1 12705018 ANLRGQGKOZSEMF-OAHLLOKOSA-N 343.492 4.659 0 50 EJAA O=C(Nc1ccc2nc(-c3ccc(Cl)o3)[nH]c2c1)c1cccs1 231426823 OGFZSPWCGGFXPS-UHFFFAOYSA-N 343.795 4.790 0 50 EJAA FC(F)(F)c1cccc([C@H](NCc2ncc(C3CC3)o2)C2CC2)c1 272075300 KMWHIYICOZISBX-QGZVFWFLSA-N 336.357 4.812 0 50 EJAA CN(C)c1ccc(C(F)(F)F)cc1NCc1cccc(O)c1Cl 1474048956 IGCNKQFRNCDQBI-UHFFFAOYSA-N 344.764 4.743 0 50 EJAA Cc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCCC4 349951 SEIOEVKRJQRZAJ-UHFFFAOYSA-N 334.448 4.583 0 50 EJAA O=C1C[C@@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)CCC3 427589 PUEOKSJXBVFEHC-ZDUSSCGKSA-N 332.230 4.956 0 50 EJAA COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1Cl 452149 IMTISEMZAGKTQP-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1Cl 454525 XTZZRBSPLHOYMS-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1F 475611 HWOJFXQKUQJBPI-UHFFFAOYSA-N 343.583 4.886 0 50 EJAA COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 1064634 KIDBNMUEUBARRL-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA COc1ccc(OC)c(Nc2nc(-c3ccc(F)cc3)cs2)c1 1190411 MLGGLZXZGKEWND-UHFFFAOYSA-N 330.384 4.710 0 50 EJAA O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1cccs1 21525281 ULMHGCBVGVXLFZ-HNNXBMFYSA-N 342.395 4.520 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2F)cc1 36620883 JTWSJHWRKFUVLM-SFHVURJKSA-N 328.387 4.593 0 50 EJAA COC(=O)c1cc(-c2ccc(Oc3ccc(Cl)c(C)c3)cc2)n[nH]1 95100078 ZVVJCCMNAYJDMY-UHFFFAOYSA-N 342.782 4.617 0 50 EJAA COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1-c1ccccn1 131556037 DJBOYRLLGJYNFX-UHFFFAOYSA-N 332.403 4.626 0 50 EJAA CC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)nnc1Cl 202967021 IJIULYGLIRUFPE-UHFFFAOYSA-N 332.618 4.935 0 50 EJAA COc1ccccc1-c1noc(C2(Cc3cccc(Cl)c3)CC2)n1 904271128 XWIFYJJSEBYZRW-UHFFFAOYSA-N 340.810 4.673 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1cccc(C(F)(F)F)c1F)C2 1704300988 DXNBDFIZXSDDBD-NVXWUHKLSA-N 345.380 4.626 0 50 EJAA CSc1ccc2c(C)cc(N[C@H](c3nccn3C)C3CC3)nc2c1 1704355979 USWRXAKHRXSJNX-SFHVURJKSA-N 338.480 4.562 0 50 EJAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc(C)c1C 1775971433 RZIOQXHJEVRZFC-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 198969 PXQFZJJATBETDB-OXJNMPFZSA-N 343.430 4.674 0 50 EJAA COc1cccc(OC)c1C(=O)Nc1ccccc1-c1ccccc1 215102 MGYVRRALLOOZDV-UHFFFAOYSA-N 333.387 4.623 0 50 EJAA CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1cc(C)ccc1C 299969 MXVBUPRFUNLBJI-UHFFFAOYSA-N 347.418 4.681 0 50 EJAA Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2Br)c1 370964 KKNFCXADGGSAHU-CYBMUJFWSA-N 332.241 4.557 0 50 EJAA CC(C)(C)c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)no1 372150 TUGIUFAVHHMDBA-UHFFFAOYSA-N 328.412 4.546 0 50 EJAA Cc1nn2c(N)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1 2488623 FIMXGIHYKXBWKI-UHFFFAOYSA-N 334.810 4.607 0 50 EJAA COC(=O)c1c(C)n(Cc2cccc3ccccc23)c2ccc(O)cc12 2874831 JIVQINAHQYFPFX-UHFFFAOYSA-N 345.398 4.643 0 50 EJAA COc1ccccc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1F 6519383 UKDBCCBMOPGNDD-RMKNXTFCSA-N 339.288 4.505 0 50 EJAA O=C(Nc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12 15348675 SHTNYXONMHVSAZ-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA Brc1cccc(Nc2nc(-c3cccnc3)cs2)c1 37867488 PWJCJMXYNWLWIZ-UHFFFAOYSA-N 332.226 4.711 0 50 EJAA COc1ccccc1Oc1cc(Cl)c(CN2CCCC2)c(OC)c1 67642033 JXQCAEWFAFZFJH-UHFFFAOYSA-N 347.842 4.745 0 50 EJAA C[C@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1 117248347 WSLFCRKNSBTPCV-INIZCTEOSA-N 338.451 4.615 0 50 EJAA CC(C)Sc1cccc(Cl)c1CNc1nnc(C(C)C)o1 170619384 QNNJJAZOQDKPQO-UHFFFAOYSA-N 325.865 4.959 0 50 EJAA O=C(OCc1ccccc1)N1CCCc2cc(Br)ccc21 261494042 OLINVFQAMKMSPQ-UHFFFAOYSA-N 346.224 4.539 0 50 EJAA CSc1ccc(Cl)c(C(=O)OCc2coc(C(C)(C)C)n2)c1 328589711 ULSSFBVKTKHMAK-UHFFFAOYSA-N 339.844 4.704 0 50 EJAA Cc1ccc(N(Cc2cccs2)C(=O)c2oc(C)nc2C)cc1 746245284 OBOPOJXCILEFND-UHFFFAOYSA-N 326.421 4.508 0 50 EJAA O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc2ccccc12 1735807 HRMHSJNEYQJBOF-PDGQHHTCSA-N 333.774 4.838 0 50 EJAA O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(F)c1 2862536 QMUOHINKSIHKDW-LJQANCHMSA-N 339.797 4.999 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 4820420 WHOCDNAWWJSQLK-SFTDATJTSA-N 337.463 4.892 0 50 EJAA CC(=O)Oc1ccc(-c2csc(Nc3ccccc3F)n2)cc1 5064171 VVUZSEZQDOGLFW-UHFFFAOYSA-N 328.368 4.618 0 50 EJAA COc1cccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1 5516614 RGIMZNQTAHAERS-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA CCc1cccc(NC(=O)c2cnc(SC)nc2-c2ccccc2)c1 6938177 GCQQHJWJAFDHOR-UHFFFAOYSA-N 349.459 4.680 0 50 EJAA CC(C)c1ccc(NC(=O)NCc2cccc(Br)c2)cc1 17072212 VSGCFJJBHMCDRD-UHFFFAOYSA-N 347.256 4.894 0 50 EJAA CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@](C)(O)[C@@H](O)CO 32062352 CGIHFIDULQUVJG-ZRNYENFQSA-N 330.553 4.530 0 50 EJAA FC(F)(F)c1cc(Cl)c(Br)c(Br)c1 63339610 FETMNULSHVOYOV-UHFFFAOYSA-N 338.348 4.884 0 50 EJAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1F 64984892 LQUARWFDTRVGNP-MRXNPFEDSA-N 331.391 4.615 0 50 EJAA CC(C)(C)c1noc(Cn2cnc(-c3ccccc3)c2-c2ccoc2)n1 65508213 DPIXFMFCAFUHBR-UHFFFAOYSA-N 348.406 4.539 0 50 EJAA CCc1nn2c(-c3cccnc3)ccnc2c1-c1cccc(Cl)c1 71375891 AVFGLQHLYSNBJJ-UHFFFAOYSA-N 334.810 4.674 0 50 EJAA Cc1ccccc1-c1cccc(NC(=O)N(C)C[C@@H]2CCCCO2)c1 299783712 XLHPHFGVYCHRMR-IBGZPJMESA-N 338.451 4.695 0 50 EJAA Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 104551 HZOFORLMMGWSQR-NRFANRHFSA-N 328.415 4.762 0 50 EJAA COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccc(F)cc1)N2 285443 DSAQHSCMMOOKBN-OALUTQOASA-N 343.398 4.632 0 50 EJAA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 363040 OGXFAEFHRVFMRD-UHFFFAOYSA-N 331.415 4.856 0 50 EJAA CCN(CC)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 609429 YLOJTHKOYDSXJC-UHFFFAOYSA-N 335.423 4.620 0 50 EJAA CCCn1c2ccccc2c2nnc(SCc3ccccc3)nc21 2783942 PSKLQIRYKPYMHN-UHFFFAOYSA-N 334.448 4.682 0 50 EJAA CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 2863956 ORFDUMDFSWHIIM-UHFFFAOYSA-N 345.398 4.783 0 50 EJAA c1ccc(CCc2ccccc2-c2nc(-c3ccncc3)no2)cc1 4831950 FGPLLMITSAZDLX-UHFFFAOYSA-N 327.387 4.584 0 50 EJAA O=C(O)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 11952200 SYHAJCDOIYSQRK-UHFFFAOYSA-N 331.582 4.924 0 50 EJAA Cc1cc(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc12 12418200 RRJPZCNTFHHLPE-HNNXBMFYSA-N 336.460 4.513 0 50 EJAA CSCCc1c(-c2ccccc2)ncn1[C@@H](C)c1ncccc1C 65381062 XAOFOCRFTRUPMF-INIZCTEOSA-N 337.492 4.768 0 50 EJAA COC(=O)c1cc(-c2ccc(SC)cc2)cc(C(F)(F)F)c1 97757090 GETLQLLTNXIGQL-UHFFFAOYSA-N 326.339 4.881 0 50 EJAA CC(=O)Nc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1 115612937 GYLMJJMBRAHAFD-UHFFFAOYSA-N 342.345 4.795 0 50 EJAA CC(=O)N(C)c1ccccc1NCc1c(Cl)oc2ccccc12 678345235 VZWHXVOPPVZHNI-UHFFFAOYSA-N 328.799 4.681 0 50 EJAA CC(C)Cc1ccc(CN(C)Cc2cc(-c3ccncc3)no2)s1 952981315 LWMUMGAMOYSUPE-UHFFFAOYSA-N 341.480 4.629 0 50 EJAA O=C(O)c1ccc(-c2ccc(-c3ccc4c(c3)CCC4=O)cc2)cc1 1875326677 RZNFMQYYLZFRMA-UHFFFAOYSA-N 328.367 4.848 0 50 EJAA CCOC(=O)[C@H](C(=O)Nc1cccc2ccccc12)C1CCCCC1 235602 OVPURFJHCMJUBS-IBGZPJMESA-N 339.435 4.538 0 50 EJAA CCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 482452 DYISDWKWEMRRLM-UHFFFAOYSA-N 337.202 4.596 0 50 EJAA Cc1cccc(OCc2nc3ccccc3n2Cc2ccccc2)c1 615472 HROVCYNHBCGVQC-UHFFFAOYSA-N 328.415 4.972 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2)cc1 1063189 HUJISWHDMORNBL-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CCC=CCCC=CCC[C@H]12 4409059 TVPSUVVLKOFAJS-NRAVZPKASA-N 340.423 4.862 0 50 EJAA O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccnc1 4810575 CYOIQZIXTUFBTO-UHFFFAOYSA-N 348.793 4.531 0 50 EJAA CSc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 12595909 WMZBWIORRJQFOR-HNNXBMFYSA-N 337.492 4.753 0 50 EJAA CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 20775929 PUAJRTPPCJYCLZ-SFHVURJKSA-N 325.481 4.770 0 50 EJAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@H]1c1ccc(F)cc1 21525428 CQHPKOSIIPPLDH-HNNXBMFYSA-N 342.395 4.520 0 50 EJAA Cc1nn2c(NC(C)C)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799333 CSJRHRVKLMDFDU-UHFFFAOYSA-N 340.446 4.962 0 50 EJAA CC(C)=CCN1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 82039489 BQBPTWIIGOQUNA-MRXNPFEDSA-N 329.875 4.876 0 50 EJAA COc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2)cc1F 139473257 ZVXSJJKFADFXEP-OAHLLOKOSA-N 349.405 4.992 0 50 EJAA Fc1cccc(Cl)c1OCc1nnc(-c2ccccc2Cl)o1 159272919 XJHGXGHKYQWDJO-UHFFFAOYSA-N 339.153 4.762 0 50 EJAA CC(C)[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 299797145 PAMVCKYBWYFTBE-GOSISDBHSA-N 342.870 4.670 0 50 EJAA Cc1[nH]c2ccc(CN[C@@H](C)c3ccc(C(F)F)nc3)cc2c1C 657850911 YQGYTGJNHQKBEO-ZDUSSCGKSA-N 329.394 4.968 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1F 806382099 WLVGFBVOSAAKIG-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 270122 NASWBNMVRITYBH-UHFFFAOYSA-N 331.481 4.809 0 50 EJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)CC2=O 351932 PDONOQHQGBCJQC-SJORKVTESA-N 340.250 4.717 0 50 EJAA Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1ccccc1Br 427732 YWVLTAXUEYPMHG-CQSZACIVSA-N 330.225 4.540 0 50 EJAA COc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)c2ccco2)cc1 468695 ATXONJCWKBKXOY-IBGZPJMESA-N 335.403 4.757 0 50 EJAA O=C(Nc1nc(-c2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 4275649 AXEPGYQTZUEPTJ-UHFFFAOYSA-N 338.476 4.965 0 50 EJAA COc1ccc([C@H]2CC(=O)c3c(-c4ccccc4)ccnc3C2)cc1 12420628 FJWBJUVJUCBRPK-QGZVFWFLSA-N 329.399 4.670 0 50 EJAA Cc1ccc(Cn2c(NCc3ccc(C)o3)nc3ccccc32)cc1 22107301 OUTVJAWDNYRJRZ-UHFFFAOYSA-N 331.419 4.907 0 50 EJAA C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 170606862 RDXJWDYYYVGSKU-ZHRRBRCNSA-N 347.437 4.866 0 50 EJAA Fc1ccc(-c2nc(C3(c4ccncc4)CCC3)no2)cc1C(F)F 904102329 NRCUKYTWLCKQHV-UHFFFAOYSA-N 345.324 4.678 0 50 EJAA Cc1ccc(C)c([C@H](C(=O)Oc2ccc3cncnc3c2)C(C)C)c1 1875345898 MDTVWZJVFPFCTM-HXUWFJFHSA-N 334.419 4.592 0 50 EJAA COc1ccc(CC(=O)N2c3ccccc3CCc3ccccc32)cc1 185236 NCNKHXMZFKCUKQ-UHFFFAOYSA-N 343.426 4.701 0 50 EJAA CC(=O)N(Cc1ccccc1)[C@H]1CCCc2c1[nH]c1ccc(C)cc21 212614 ZVDADMDLIYGKQJ-NRFANRHFSA-N 332.447 4.902 0 50 EJAA Clc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1 223799 WPCYONXFPNNGEA-UHFFFAOYSA-N 338.242 4.667 0 50 EJAA CCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12 302396 ITARQDQNUBEPLJ-UHFFFAOYSA-N 344.794 4.596 0 50 EJAA biogenic CC(C(=O)Nc1ccc(Cl)cn1)(c1ccccc1)c1ccccc1 314593 HNHRAULTNRIILH-UHFFFAOYSA-N 336.822 4.680 0 50 EJAA COC(=O)[C@H](C(=O)Nc1cccc2ccccc12)C1CCCCCC1 472394 PGEXNOZDJILLRN-IBGZPJMESA-N 339.435 4.538 0 50 EJAA COC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 555278 HPSDCRSXTIHUEB-UHFFFAOYSA-N 334.202 4.783 0 50 EJAA CCc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 2810771 DWUFSHWKXKMCGU-QGZVFWFLSA-N 334.246 4.703 0 50 EJAA Cc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccccc2O)cc1 4802228 NKSWTNGCXBIWQF-HXUWFJFHSA-N 331.415 4.861 0 50 EJAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cccc(O)c2)[C@@H]3CCC1 22078007 BUNIMTDBWYULEB-JOCHJYFZSA-N 346.474 4.939 0 50 EJAA CN(CCC1(O)CCCC1)C(=O)Nc1ccccc1-c1ccccc1 96133822 JKYVFWODXNGOLK-UHFFFAOYSA-N 338.451 4.513 0 50 EJAA CCCCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 239433697 YIBLLNKVEAJJCJ-ACESQOTJSA-N 337.507 5.362 0 50 EJAA CC1(C)C[C@H](c2ccccc2)CN1Cc1c(C(=O)O)oc2ccccc12 903934849 RWVJIAGKTVSWGM-INIZCTEOSA-N 349.430 4.899 0 50 EJAA CCCn1ncc(CNCC[C@@H](c2ccccc2)c2ccco2)c1C 952981383 MLDBITPXKVMXJX-FQEVSTJZSA-N 337.467 4.506 0 50 EJAA CC(C)(C)SCC(=O)Nc1c(Cl)cccc1Br 1875279689 MLYDUSUUNSGUAX-UHFFFAOYSA-N 336.682 4.573 0 50 EJAA O=C(CCc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 134193 VFCPZWPPPGNHEO-UHFFFAOYSA-N 344.414 4.510 0 50 EJAA O=C(Nc1ccccc1Br)c1cccc2ccccc12 353616 YVICOCFHIYFDJP-UHFFFAOYSA-N 326.193 4.855 0 50 EJAA CCc1ccccc1NC(=S)Nc1sc(C)c(C)c1C(=O)OC 6286454 KGSIDXNTSWTMJL-UHFFFAOYSA-N 348.493 4.523 0 50 EJAA CC(C)c1nnc(-c2ccccc2C(=O)N(C(C)C)C(C)C)s1 426530358 DASMCXHUGWLEOK-UHFFFAOYSA-N 331.485 4.588 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 121388 VYVKMTWYTPAHSD-GOSISDBHSA-N 345.442 4.918 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 172789 UAYGMMQQFWOIHU-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA C[C@]1(c2ccc(OCc3ccccc3)cc2)Cc2ccccc2C(=O)O1 399002 NDXJACHBJAJGKA-HSZRJFAPSA-N 344.410 4.894 0 50 EJAA CC(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 473084 KYCQWGMQDBUEMG-UHFFFAOYSA-N 333.840 4.664 0 50 EJAA Cc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 497416 NGCHEQXRYSBMNE-UHFFFAOYSA-N 334.293 4.699 0 50 EJAA biogenic O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 1161974 ACZMESBQIZITPJ-FPYGCLRLSA-N 340.637 4.976 0 50 EJAA CCCCNCCCCOc1ccc(Cl)cc1Br 3001204 XAERWOCDRICVMP-UHFFFAOYSA-N 334.685 4.651 0 50 EJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccc(C)s2)C1 14980555 GWTHKUPYTCJEFB-OAHLLOKOSA-N 345.533 4.873 0 50 EJAA COc1ccc(OC)c2c(C)cc(N[C@@H]3CCC[C@@H](C)[C@@H]3C)nc12 23634344 YFSFCGCONKORMP-VHDGCEQUSA-N 328.456 4.797 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 64984587 DGTOGQMGBSXJRP-INIZCTEOSA-N 333.819 4.650 0 50 EJAA O=C(Nc1ccc2scnc2c1)N1CCC[C@H]1c1cccs1 171374212 FQINQQSBOAQJGL-ZDUSSCGKSA-N 329.450 4.727 0 50 EJAA c1ccc(N2CC[C@H](CN[C@H]3CC4(CCC4)Oc4ccccc43)C2)cc1 247080999 OWRMALKGEMKLKM-NQIIRXRSSA-N 348.490 4.549 0 50 EJAA C[C@@H]1c2cccn2CCN1C(=O)N1Cc2ccccc2-c2ccccc21 1875338524 AILQTEMNCOJVRO-MRXNPFEDSA-N 343.430 4.672 0 50 EJAA CC1CC(Cn2nc(-c3cccnc3)nc2C2CCC(F)(F)CC2)C1 1875347132 IFVRHTUGAHEPEM-UHFFFAOYSA-N 346.425 4.679 0 50 EJAA Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 122241 CJFDGMGNXVBYEQ-UHFFFAOYSA-N 334.604 4.789 0 50 EJAA Cc1ccccc1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 192860 SAEQNCZLPPDKSQ-UHFFFAOYSA-N 348.185 4.661 0 50 EJAA COc1ccc(Nc2nc(-c3cccc(NC(C)=O)c3)cs2)cc1 321930 WBNKNTUZKKFUOD-UHFFFAOYSA-N 339.420 4.521 0 50 EJAA Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccs1 366805 WXHSBBUFSHLCNH-UHFFFAOYSA-N 342.445 4.623 0 50 EJAA Nc1nc(Br)c2c(F)cccc2c1-c1ccc(F)cc1 1391576 XOKMVGNSLZHCLO-UHFFFAOYSA-N 335.151 4.525 0 50 EJAA CCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 5101243 AWZPSGFHIZXGNG-UHFFFAOYSA-N 338.451 4.718 0 50 EJAA C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1CCCO1 12383295 AWBAUQCKEMTDQV-LDYMZIIASA-N 344.263 4.505 0 50 EJAA CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO 27644545 NSTJYLJXTUKKJO-LTKCOYKYSA-N 333.516 4.851 0 50 EJAA in-vitro Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@H](C)CC[C@H]1C(C)C 170630094 WTUOMKNZIGCFKE-PBHICJAKSA-N 334.508 4.759 0 50 EJAA O=C(O)CCCCN1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 376357688 YQDMBGKFMKTQTA-GOSISDBHSA-N 339.435 4.523 0 50 EJAA CCC(=O)c1ccc2c(c1)N(C[C@H](C)N(C)C)c1ccccc1S2 669 UVOIBTBFPOZKGP-AWEZNQCLSA-N 340.492 4.832 0 50 EJAA biogenic,world c1ccc(Cn2nc3c(c2-c2ccncc2)CCc2ccccc2-3)cc1 399000 HTZLOOMZQYGHCY-UHFFFAOYSA-N 337.426 4.759 0 50 EJAA COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1Cl 3609138 ZVDBDDPBJWOUAW-UHFFFAOYSA-N 341.794 4.763 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 5069210 BNOZSOBINZCIOV-UHFFFAOYSA-N 329.399 4.584 0 50 EJAA Cc1ccc2c(C)c(C(=O)N3CCC(c4ccncc4)CC3)oc2c1C 11816554 VRCYVVXPHZYGLT-UHFFFAOYSA-N 348.446 4.773 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 20357030 QXEMUMMDHVKXFM-UHFFFAOYSA-N 326.396 4.513 0 50 EJAA CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)O 27639697 DPNOTBLPQOITGU-DRSVPBQLSA-N 338.488 4.504 0 50 EJAA in-vitro CC(C)c1noc([C@H]2CCCN2Cc2cc(C3CCCCC3)no2)n1 77394657 MVTVJBMQOWUFCL-QGZVFWFLSA-N 344.459 4.566 0 50 EJAA Cc1nnc(-c2cccc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)o1 129533743 NBIQNOUVORDOKF-GXTWGEPZSA-N 325.334 4.578 0 50 EJAA Fc1ccc([C@@H](NCc2ncc(C3CC3)o2)C(F)(F)F)cc1Cl 277802299 OPRPQCFPIALDQA-CQSZACIVSA-N 348.727 4.738 0 50 EJAA Cc1ccc(CN(Cc2ccc(C(F)(F)F)nc2)C2CC2)s1 1506399856 RBUXACZBUZBQHK-UHFFFAOYSA-N 326.387 4.635 0 50 EJAA CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 144455 UZRDOAUTVRTWET-UHFFFAOYSA-N 327.424 4.615 0 50 EJAA CCOC(=O)c1oc2ccc(CNC3CCCCC3)c(Cl)c2c1C 208734 GTHQDOILWCWUMQ-UHFFFAOYSA-N 349.858 4.994 0 50 EJAA Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2ccccc2c1 399297 ZTCUJRSHRGRYSA-UHFFFAOYSA-N 331.824 4.602 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 472372 BGBPCIIUXVGQSE-UHFFFAOYSA-N 327.387 4.562 0 50 EJAA CC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1 611187 WUAJRWDEKINGBN-UHFFFAOYSA-N 347.212 4.604 0 50 EJAA O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2Cl)on1 614637 IKPWOFGMTMIPHL-UHFFFAOYSA-N 334.709 4.526 0 50 EJAA COc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c(OC)c1 615658 ODJDJRAXZQNVFR-UHFFFAOYSA-N 345.782 4.664 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2ccccc2)cc1 1428315 ILHLZPUZPYMMCM-UHFFFAOYSA-N 329.399 4.673 0 50 EJAA O=C(O)CCCCCCCc1ccc(CCCCC(=O)O)s1 4024939 RBSQUDBHEKLHCQ-UHFFFAOYSA-N 326.458 4.513 0 50 EJAA biogenic Cc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 6701979 YVLOXEGDDFGLKX-UHFFFAOYSA-N 334.297 4.643 0 50 EJAA COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN12 25559824 VDKTYIPSFHXBCZ-UTKZUKDTSA-N 346.386 4.531 0 50 EJAA Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nn1 65362405 XLFRHSBNJIVBLO-UHFFFAOYSA-N 347.422 4.789 0 50 EJAA COc1cccc(Nc2ccc(NC(=O)[C@H]3CCCSC3)cc2)c1 862585165 BEBVPVFERLFGOH-AWEZNQCLSA-N 342.464 4.521 0 50 EJAA C[C@]1(c2ccccc2)CCCN1C(=O)C1CC(c2ccc(F)cc2)C1 1462471305 ULUNBZIFHHKARN-RWWKDMOOSA-N 337.438 4.857 0 50 EJAA C[C@@H](OC(=O)/C=C/c1ccc(-c2ccccc2F)o1)c1cncs1 2325715280 HRTMCYVHZDEFKA-YPUOHESYSA-N 343.379 4.860 0 50 EJAA O=C(Oc1c(C(=O)c2ccccc2)sc2ccccc12)c1ccco1 503400 ZRXAHDFLJKRCJW-UHFFFAOYSA-N 348.379 4.945 0 50 EJAA S=C(NC1CCCCC1)c1ccc(OCc2ccccc2)cc1 529022 SWRVOXJRXHMYKO-UHFFFAOYSA-N 325.477 4.863 0 50 EJAA COc1cccc([C@@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)c1 2911966 UBMHPHNAKMZGGG-WOJBJXKFSA-N 336.431 4.811 0 50 EJAA COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccccc3)C[C@@H]21 3904762 LSXYGERBKOCNMW-IBGZPJMESA-N 348.446 4.899 0 50 EJAA O=C(Nc1ccccc1Sc1ccc(Cl)cc1)[C@@H]1CCCO1 4750558 MRLHEYLFMXIGEH-HNNXBMFYSA-N 333.840 4.609 0 50 EJAA Cc1cc(Nc2cccc(O)c2)c2cccc(Br)c2n1 95399205 SMTLSCOUJJWHHW-UHFFFAOYSA-N 329.197 4.755 0 50 EJAA CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccnc1 117762579 VBNLMVJJHTVAPI-HNNXBMFYSA-N 326.440 4.734 0 50 EJAA Cc1ccc(C)c(-n2ncc(N[C@H](C)c3csc(C)n3)c2C)c1 495186277 WMQHDLFTRWLJTL-CYBMUJFWSA-N 326.469 4.736 0 50 EJAA CC(C)(O)c1ccc(CNCc2ccc(OC3CCCC3)cc2)cc1 830231804 XXOZGTGNVLOUJR-UHFFFAOYSA-N 339.479 4.525 0 50 EJAA CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2cccc(OC)c2OC)cc1 372359 YSUCHCHXVZIELC-HUUCEWRRSA-N 341.451 4.708 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 475941 GULQBFJXIOJFJS-UHFFFAOYSA-N 346.814 4.784 0 50 EJAA O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCCC1 995056 YBUWJLIIRRTPKL-UHFFFAOYSA-N 336.822 4.791 0 50 EJAA CC(C)(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 4434292 SJEHYMPGUHOCCG-UHFFFAOYSA-N 345.251 4.751 0 50 EJAA COc1ccc(Cl)cc1NC(=O)N(C)C12CC3CC(CC(C3)C1)C2 5060614 XPUZXRMAGDUUKU-UHFFFAOYSA-N 348.874 4.781 0 50 EJAA Cc1cc(Br)cc2c(C(=O)O)cc(-c3ccccc3)nc12 8549128 GNZJSUBMTVWHNN-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA FC(F)(F)c1ccc(Cn2cnc(-c3ccccc3)c2C2CC2)cn1 65380326 SLBHKCXRQAUBSF-UHFFFAOYSA-N 343.352 4.890 0 50 EJAA CC[C@H](O)c1ccc(-c2ccc(C(=O)N(C)CC3CCC3)cc2)cc1 426500102 MBELZXVDWHIPFP-NRFANRHFSA-N 337.463 4.669 0 50 EJAA CC1(C)C[C@@H](c2ccccc2)CN1Cc1cccc(C(=O)O)c1Cl 903933535 BDKZMUHFPHQCSQ-MRXNPFEDSA-N 343.854 4.806 0 50 EJAA CC(C)c1nsc(CN2CCCC[C@@H]2c2nc3ccccc3o2)n1 930039550 WTSCSVCDVRBAIK-CQSZACIVSA-N 342.468 4.530 0 50 EJAA O=C(c1cccc(-c2cnc3cc(F)ccc3c2)c1)N1CCCCC1 1240065064 MTRGRANZAAMKBM-UHFFFAOYSA-N 334.394 4.667 0 50 EJAA COC(=O)Cn1ccc2c(N[C@@H](C)[C@H]3CCC(C)=C(C)C3)cccc21 2325824641 KUPRCAOZOPTKOZ-IRXDYDNUSA-N 340.467 4.751 0 50 EJAA Cc1oc2ccc(Cl)cc2c(=O)c1C(=O)c1ccccc1Cl 265239 QFOKCOCLCSBDGQ-UHFFFAOYSA-N 333.170 4.639 0 50 EJAA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)C(F)(F)F 453353 VPUCBWPKVAHWIE-UHFFFAOYSA-N 340.688 4.649 0 50 EJAA O=C1CCCC(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 2078506 WOJTZTUKSNPCFZ-UHFFFAOYSA-N 331.371 4.676 0 50 EJAA COC(=O)c1cn(CCCOc2ccccc2Cl)c2ccccc12 2845431 NTZPUVJICARUMX-UHFFFAOYSA-N 343.810 4.550 0 50 EJAA O=c1c(-c2ccc(Cl)c(Cl)c2)c[nH]n1-c1cccc(Cl)c1 5671218 WYHIFSRNAGVDFA-UHFFFAOYSA-N 339.609 4.793 0 50 EJAA C[C@H](NC(=S)NCCc1ccccc1)c1ccc(C(C)(C)C)cc1 13774902 KVJSEBJAKOXUBB-INIZCTEOSA-N 340.536 4.752 0 50 EJAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CSc2ccccc2)cc1 101672589 RQTSUNXDAHITAQ-XKGZKEIXSA-N 337.488 4.897 0 50 EJAA C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 101737044 BAQRJTWSAPHMNM-YXMPFFBPSA-N 326.362 4.652 0 50 EJAA CC1(C)CCC(C)(C)c2cc(CCCO)c(Br)cc21 140308496 DKAYTFCLIZOBOV-UHFFFAOYSA-N 325.290 4.723 0 50 EJAA C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCC2C3CC4CC(C3)CC2C4)o1 1875342102 XVNPYAWIAFMJQK-GRGPBWFBSA-N 341.495 4.524 0 50 EJAA O=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCCC2(CCC2)C1 1875342260 HIBDNXALQVXTIN-UHFFFAOYSA-N 346.902 4.737 0 50 EJAA COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=S)cc1 448773 WDFIXHNCOCDOIZ-RVDMUPIBSA-N 343.498 4.902 0 50 EJAA CCOc1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1 611826 NTQMLAVEXKOZDB-UHFFFAOYSA-N 349.228 4.800 0 50 EJAA CCCCOc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1 1596412 JYCBKPOKWDDOOV-UHFFFAOYSA-N 343.496 4.740 0 50 EJAA in-man Cc1ccccc1CSCCNC(=O)CCSc1ccccc1 2814661 FAEJFYNQWIHUQJ-UHFFFAOYSA-N 345.533 4.527 0 50 EJAA COc1ccc(Br)cc1CN[C@@H]1CCCc2ccccc21 2899469 SZJOBSMKAIURNV-QGZVFWFLSA-N 346.268 4.625 0 50 EJAA O=C(COc1ccccc1Cl)Nc1c(Cl)cccc1Cl 3514946 YCJCLJNAOPLCFY-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA COc1cccc(CCC(=O)Nc2ccc(C)c(Cl)c2)c1Cl 4542828 LJCSQBGKHZGGIV-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc2ncccc12 4954944 IJBUZHFBOYZYJT-MDZDMXLPSA-N 342.320 4.906 0 50 EJAA COc1ccccc1CN(CCc1ccccc1)Cc1ccccc1 19634568 MRMPXHZIOZXPNC-UHFFFAOYSA-N 331.459 4.940 0 50 EJAA Cc1c(C=O)[nH]c([C@H]2CCC[C@H](c3[nH]c(C=O)c(C)c3C)C2)c1C 25758898 KDNCCTGOYLFGDC-HOTGVXAUSA-N 326.440 4.643 0 50 EJAA CC(C)N(CCOC(=O)[C@@H](c1cccs1)[C@@H]1C=CCCC1)C(C)C 33639063 QTMYUJVVJGBKNX-IEBWSBKVSA-N 349.540 4.850 0 50 EJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3cccnc3)oc2c1 91973714 OWGIKWQEKUPYCW-SFHVURJKSA-N 334.419 4.812 0 50 EJAA Cc1ccccc1[C@H]1C[C@H]1C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225717050 WQDMUCOZHKSZFI-OHUMZHCVSA-N 343.470 4.945 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(=O)C[C@@]4(C)CC[C@H]32)C1 257346103 RAVPGOUPQFSNSA-OTIVAYNUSA-N 332.484 4.530 0 50 EJAA Cc1ccnc(C[C@@H](C)N(C)C(=O)Nc2ccc3oc(C)cc3c2)c1 299763941 ZGMGKAHOBJDUIM-CQSZACIVSA-N 337.423 4.540 0 50 EJAA FC(F)(F)c1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1 1247553492 PTPXSBQQTCKORO-UHFFFAOYSA-N 331.508 4.582 0 50 EJAA O=C1OCCc2cc(-c3cccc(OCCc4ccccc4)c3)ccc21 1875322929 OARJPCMZRBLUQP-UHFFFAOYSA-N 344.410 4.688 0 50 EJAA CC(C)n1ncc2cc(Nc3ncnc4c(F)c(F)ccc34)ccc21 1875334172 CABCUURODQCKED-UHFFFAOYSA-N 339.349 4.582 0 50 EJAA Cc1cc2c(cc1C)[C@@H](c1ccccc1Br)CC(=O)N2 36493 ZRSOAWXIGBKGNZ-CYBMUJFWSA-N 330.225 4.540 0 50 EJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 444460 RWSQMLVQZZQKDR-UHFFFAOYSA-N 337.206 4.594 0 50 EJAA CCn1c(SCc2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 528257 PHWSEIMAYZGTML-UHFFFAOYSA-N 344.505 4.695 0 50 EJAA COc1ccc(CSCC(=O)Nc2c(C)cccc2C(C)C)cc1 621296 YYCJBROMTWKFBY-UHFFFAOYSA-N 343.492 4.999 0 50 EJAA O=C(c1ccccc1)[C@H]1Oc2ccccc2OC=C1c1ccccc1 3138790 DFHGQWDTWMIVQP-QFIPXVFZSA-N 328.367 4.750 0 50 EJAA CC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1ccc1ccccc12 5570839 QGJYRMXXETZISZ-UHFFFAOYSA-N 327.383 4.835 0 50 EJAA CCCN(CCC)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 12138604 LWBVZXQFPVZQMF-UHFFFAOYSA-N 339.439 4.593 0 50 EJAA C[C@H](O)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859583 YPRJGJFJMZOUSH-INIZCTEOSA-N 343.426 4.796 0 50 EJAA in-vitro O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 77521558 SKKQJZGMBYOTHC-HXUWFJFHSA-N 349.409 4.583 0 50 EJAA CCN(C(=O)c1ccc(-c2ccco2)nc1C)c1ccc2[nH]ccc2c1 170607657 MJNCTSJNUUVVMJ-UHFFFAOYSA-N 345.402 4.798 0 50 EJAA Cc1nc2cc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)ccc2o1 292563513 BWVAMOUXKRMQJQ-IBGZPJMESA-N 347.418 4.895 0 50 EJAA CC(=O)Nc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1C 743467003 ZNGXQFLGWUKGOU-AWEZNQCLSA-N 335.407 4.782 0 50 EJAA CSc1cccc(CN(C)C(=O)c2ccccc2C(F)(F)F)c1 952992170 ZSVYNYLSDBRRIL-UHFFFAOYSA-N 339.382 4.700 0 50 EJAA CCOc1ccc(Oc2ccc(NC[C@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 2325864588 SVSHGZNFLSEUCH-IPHXSNPTSA-N 339.435 4.857 0 50 EJAA Cc1cccn2c(NC(=O)c3ccc(F)cc3)c(-c3ccccc3)nc12 64520 UYUFFQUKSFSIEA-UHFFFAOYSA-N 345.377 4.701 0 50 EJAA Fc1ccc(Cn2cc(C(=S)N3CCCC3)c3ccccc32)cc1 305896 XDRMIKZGRUWHBX-UHFFFAOYSA-N 338.451 4.600 0 50 EJAA C=Cc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 403728 YHROTRNOIVWLAG-UHFFFAOYSA-N 332.399 4.812 0 50 EJAA biogenic CCOC(=O)c1c(C)oc2ccc(OCc3ccc(F)cc3)cc12 407134 YUAXKFUVAIDFQU-UHFFFAOYSA-N 328.339 4.636 0 50 EJAA biogenic CC(C)OC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1N 442707 OZGUZTBIKPOYQE-UHFFFAOYSA-N 330.236 4.869 0 50 EJAA CCOc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 612344 KSTKZRYXDVXFLX-UHFFFAOYSA-N 340.301 4.628 0 50 EJAA O=C(NCc1ccc(F)cc1)c1ccccc1CCc1ccccc1 1066179 ZNWVBUVZHSHYRW-UHFFFAOYSA-N 333.406 4.541 0 50 EJAA C[C@H]1CCCN(CCCOc2ccc(Br)cc2Cl)C1 2825082 UXHDUFIOVXVIJL-LBPRGKRZSA-N 346.696 4.603 0 50 EJAA CCc1ccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)cc1 6395178 BDILOYXZNNXLLP-UHFFFAOYSA-N 347.846 4.502 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1 8558698 XPZSBUISVQXIGP-UHFFFAOYSA-N 333.416 4.852 0 50 EJAA CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4cccs4)[nH]c(=O)c23)C1 11419581 NPSOZJYHKMYEQH-SNVBAGLBSA-N 344.505 4.864 0 50 EJAA CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O1 65530740 XCHRLDXBVPTDEP-QYZOEREBSA-N 343.854 4.769 0 50 EJAA O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 32568 CAKMNSIAFRKFDS-UHFFFAOYSA-N 331.696 4.679 0 50 EJAA CCc1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1 375434 JKGISXDHIKDIFY-UHFFFAOYSA-N 338.432 4.633 0 50 EJAA COc1cccc([C@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)c1 432065 UBMHPHNAKMZGGG-UXHICEINSA-N 336.431 4.811 0 50 EJAA COc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 450805 DBIFYXVSFCBNLX-UHFFFAOYSA-N 327.767 4.861 0 50 EJAA CC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 465084 PTSCIRBJFNXUKJ-UHFFFAOYSA-N 329.252 4.635 0 50 EJAA C[C@@H]1CCCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 534159 NXNOKMVVRQZAJY-OAHLLOKOSA-N 326.465 4.908 0 50 EJAA COc1ccc(CCN(C)Cc2ccc3ccccc3c2)cc1OC 4948952 GFBXZWLUIUPHDY-UHFFFAOYSA-N 335.447 4.532 0 50 EJAA Cc1cc(-c2cccc(-c3ccn(Cc4cscn4)n3)c2)cc(C)n1 20993067 IKTKPFAASJBEGL-UHFFFAOYSA-N 346.459 4.734 0 50 EJAA C[C@H](c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1)N1CCCC1 67713123 LMVQOJVJFHAFFB-CYBMUJFWSA-N 329.827 4.862 0 50 EJAA O=C(c1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1c1cccc(F)c1 77288194 QWWBGWXTQQWNBC-IBGZPJMESA-N 349.409 4.583 0 50 EJAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1c1ccccc1Cl 154684476 LSOIAJVYMRDMTJ-SJKOYZFVSA-N 345.874 4.537 0 50 EJAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1c1nc2ccc(F)cc2o1 1458368392 CRZNZWRTTLAOPO-DYVFJYSZSA-N 340.398 4.953 0 50 EJAA C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1 1468801285 YBYVQNLIUZJHFW-JTQLQIEISA-N 333.218 4.966 0 50 EJAA Cc1cc(C)c([C@H](C)N2CC[C@@](CO)(Cc3ccccc3)C2)c(C)c1 1875345447 XXTOLZJPVSDCMC-NZQKXSOJSA-N 337.507 4.600 0 50 EJAA O=C(NC1CC1)[C@@H](Sc1ccc2occc2c1)c1ccc(F)cc1 2325827677 NBTCEWJUKJCLPH-SFHVURJKSA-N 341.407 4.684 0 50 EJAA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(F)c2)cc1 104542 AXRCKONAGUYKOX-FQEVSTJZSA-N 332.378 4.905 0 50 EJAA O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1cccc2ccccc12 284625 NUCRUAALXFPTSQ-UWJYYQICSA-N 333.431 4.964 0 50 EJAA Nc1cc(-c2ccc(Br)cc2)nn1-c1cccc(Cl)c1 2532582 YEFAYRRKLGPSLD-UHFFFAOYSA-N 348.631 4.537 0 50 EJAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc4[nH]ncc4c3)sc2c1 6789088 GKAVAVGNAAYANS-UHFFFAOYSA-N 341.823 4.992 0 50 EJAA O=C(c1ccccc1)[C@H]1[C@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)O 13544215 DKWBQLNOCXTUPX-ZGXWSNOMSA-N 338.447 4.877 0 50 EJAA FC(F)(F)Oc1ccc(Br)c(OCc2ccccc2)c1 230533445 INBFTWSQDYFDLT-UHFFFAOYSA-N 347.130 4.927 0 50 EJAA Cc1ccc(C)c(-c2nnc(-c3nnc(-c4cc(C)ccc4C)o3)o2)c1 252488467 ISLWWEIYKTVPDB-UHFFFAOYSA-N 346.390 4.687 0 50 EJAA Cc1cc(Oc2ccccc2)nc(Nc2ccc([C@@H]3CCOC3)cc2)n1 1875329968 MOQVJKWAEDLUDK-QGZVFWFLSA-N 347.418 4.825 0 50 EJAA CN(C)Cc1cccc(NCc2cc3sccc3nc2Cl)c1 2325720894 MUPGHOHYDGIRAZ-UHFFFAOYSA-N 331.872 4.623 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1ccccc1C(C)C 2325841388 RTGLMTSCUXSEIS-MOPGFXCFSA-N 325.496 4.620 0 50 EJAA COc1ccc(OC)c(NC(=O)c2sc3ccccc3c2Cl)c1 35562 NHDHBKYGUJETGO-UHFFFAOYSA-N 347.823 4.824 0 50 EJAA CC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 75160 IOIBZFRQAKDLMT-UHFFFAOYSA-N 342.367 4.828 0 50 EJAA Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1 469906 AAHJNWQDGWFFKI-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccc(Cl)cc1 2842253 UARKPITVOIEGEH-UHFFFAOYSA-N 347.805 4.931 0 50 EJAA CCOC(=O)c1c(-c2sccc2Cl)cn2c(C)cc(C)nc12 3105028 JTCUBKCTVCMKLF-UHFFFAOYSA-N 334.828 4.510 0 50 EJAA C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 4802950 ROTZYFNEYFKWQU-ZHPKKFHLSA-N 344.495 4.674 0 50 EJAA CC(C)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19358784 PCFDPQPZRREGSR-RMKNXTFCSA-N 334.507 4.641 0 50 EJAA c1ccc(Oc2cccc(CN3CCN(c4ccccc4)CC3)c2)cc1 55543477 VFUUMWZZGHDYHF-UHFFFAOYSA-N 344.458 4.801 0 50 EJAA Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC[C@@H](C)O)c1F 65470647 JHLIDGVKCSRCBI-CQSZACIVSA-N 342.389 4.575 0 50 EJAA CN(C(=O)CC1CCC(C(F)(F)F)CC1)c1ccc2cc[nH]c2c1 473573488 XSNBKVWBRGNWEN-UHFFFAOYSA-N 338.373 4.890 0 50 EJAA CC[C@H]1CCCC[C@@H]1CNCc1c(C(C)C)nc2sc(C)nn12 1474163908 FRUPOQFPIWLRHZ-LSDHHAIUSA-N 334.533 4.529 0 50 EJAA COc1ccc(-c2nnc3n2C(C)(C)Cc2cc(C)c(C)cc2-3)cc1 334268 LUGLLAHZGTUSAE-UHFFFAOYSA-N 333.435 4.529 0 50 EJAA O=C(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F 443803 ZBPCUFNGXOMZPF-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3cccc(OC)c3)ccc12 457601 CNHBTNPOICELRE-UHFFFAOYSA-N 338.403 4.642 0 50 EJAA biogenic Cc1cc(=O)oc2cc(OCc3cccc(C(F)(F)F)c3)ccc12 463326 HEKYWOVXJIZACY-UHFFFAOYSA-N 334.293 4.699 0 50 EJAA Cc1ccc2nc(N3C(=O)c4cccc5cccc(c45)C3=O)sc2c1 499948 JBJOLTJZQIQKKE-UHFFFAOYSA-N 344.395 4.559 0 50 EJAA Cc1cc(Br)c(NC(=O)c2ccc(Cl)cc2)cc1C 565887 NVVGALSYMRJQOS-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1 2701960 IZQCUSZHWGJNOQ-UXBLZVDNSA-N 327.478 4.832 0 50 EJAA Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1C 3002799 PWSURHFRRGLSLA-UHFFFAOYSA-N 340.492 4.728 0 50 EJAA O=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)OCO2 4740499 AXLIPRJKPXMCIF-UHFFFAOYSA-N 349.411 4.819 0 50 EJAA Cc1ccccc1[C@@H]1CCCN(Cc2nc(-c3ccoc3)oc2C)C1 20781405 MAOCODXGGDWMAQ-QGZVFWFLSA-N 336.435 4.931 0 50 EJAA Brc1cccc2c1[nH]c1c(Br)cccc12 117204558 SAGKZGMCGWAMEE-UHFFFAOYSA-N 325.003 4.846 0 50 EJAA CCOc1ccccc1-c1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 239366961 AGYQMDHHDUOLLY-UHFFFAOYSA-N 340.448 5.023 0 50 EJAA COc1ccccc1Oc1ccc(CN[C@@H](C)c2cc(C)on2)cc1 289887846 SZJKHWJJHHYLRO-HNNXBMFYSA-N 338.407 4.635 0 50 EJAA c1coc([C@H]2CCCCCN2Cc2ccc(-c3cc[nH]n3)s2)c1 820414199 NVPZJIJVFSVELU-MRXNPFEDSA-N 327.453 4.849 0 50 EJAA Cc1cccnc1[C@H](C1CC1)n1ccnc1-c1cccc2ncccc12 1857681880 DADZNYFDTYDDFT-NRFANRHFSA-N 340.430 4.801 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 37561 LVKYEBOGFSAQOL-UHFFFAOYSA-N 332.403 4.756 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1oc2ccc(C)cc2c1C 617444 YGWGUMJOJPIBBI-UHFFFAOYSA-N 329.783 4.964 0 50 EJAA Cc1ccc2c(c1)CN(Cc1ccccn1)C[C@@H](c1ccsc1)O2 11913132 JXGKIVFZUUYPHL-FQEVSTJZSA-N 336.460 4.587 0 50 EJAA CCCCc1ccc(NC(=S)Nc2cccc(C(=O)OC)c2)cc1 13795807 OVEWCYSWKUHCQK-UHFFFAOYSA-N 342.464 4.625 0 50 EJAA Cc1nc(-c2c(-c3ccccc3)ncn2[C@@H]2C[C@H]2c2ccccc2)c[nH]1 67473299 KCBYDAKYPUWGRS-AZUAARDMSA-N 340.430 4.977 0 50 EJAA Cc1nc2ccccc2nc1NC[C@@H]1CCCO[C@H]1c1ccccc1 170593761 NAHQSVSQWIZWNM-PXNSSMCTSA-N 333.435 4.518 0 50 EJAA CSc1ccccc1C(=O)Nc1ccccc1NCC(F)(F)F 194335763 YUNMYKRELZQZMN-UHFFFAOYSA-N 340.370 4.635 0 50 EJAA C[C@@H](O)[C@H](NCc1ccc(-c2cccc(F)c2)s1)c1ccccc1 1461666115 COYAPNHGRIXDRI-VLIAUNLRSA-N 341.451 4.766 0 50 EJAA Fc1ccc(CNC[C@]2(c3ccccc3)C[C@@H](F)C2)c(C2CC2)c1 1875404941 DKGFDCLAWVOFST-TYKWCNGQSA-N 327.418 4.863 0 50 EJAA O[C@H](CNCc1cccc2ccsc12)c1csc2ccccc12 2325869998 FNTLWLBRLDHDQC-QGZVFWFLSA-N 339.485 4.939 0 50 EJAA COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1OC 126785 FQBKBLARHWQTSF-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA Brc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 190278 XGPZJFFBCSRGTI-UHFFFAOYSA-N 332.226 4.711 0 50 EJAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCO1 315051 MWUQJNWOZSVCLP-NFBKMPQASA-N 349.474 4.687 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 470507 YKMSJNQQCHKYRH-UHFFFAOYSA-N 341.414 4.801 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)Nc2cccc(NC(C)=O)c2)cc1 611199 WVQYQLXZJXRXTI-CYBMUJFWSA-N 341.480 4.967 0 50 EJAA Cc1cc(N2CCC(C)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2353772 DVFIYYBUUGRKNB-UHFFFAOYSA-N 340.858 4.594 0 50 EJAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1F 2765905 UFPLEYGLDOYPGB-CQSZACIVSA-N 329.415 4.838 0 50 EJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C(C)(C)C)cc12 4542457 OFPAOFCGGZUXIQ-UHFFFAOYSA-N 349.430 4.645 0 50 EJAA CSc1cccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c1 12571160 JYBAZRABEHGDJE-OAHLLOKOSA-N 337.492 4.753 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N(C)[C@H](C)c1cc2ccccc2[nH]1 91986166 PLHRXTYSEWQYSU-CYBMUJFWSA-N 341.480 4.889 0 50 EJAA C[C@H](O)CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705017 YHFHYHZNLCEAAP-AWEZNQCLSA-N 327.468 4.667 0 50 EJAA in-vitro Cc1nc(-c2cccs2)ccc1C(=O)N(CC1CC1)c1cccnc1 154836974 GUXLYYQECWECMT-UHFFFAOYSA-N 349.459 4.570 0 50 EJAA CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C 170627100 SIWHGUZOEXLWNQ-QZTJIDSGSA-N 335.451 4.629 0 50 EJAA Cc1ccccc1C1CC(N(C(=O)c2ccc([C@@H](C)N)cc2)C2CC2)C1 423225277 MADHIZSOBGTMDX-YLZJTPGZSA-N 348.490 4.566 0 50 EJAA c1cncc(-c2nc3c(c(Nc4ccc(C5CC5)cc4)n2)CCC3)c1 1875294142 BPBBHUKCENTSHY-UHFFFAOYSA-N 328.419 4.648 0 50 EJAA CC[C@@H](N[C@H]1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1 1875358788 JVYCAIGUNGYYRU-VQTJNVASSA-N 337.511 4.813 0 50 EJAA Cc1cc(C)c(COCc2c(C)cc(C)c(C=O)c2C)c(C)c1C=O 43581 ALKALANBVOKOIE-UHFFFAOYSA-N 338.447 4.879 0 50 EJAA Cn1nc(-c2ccccc2)c(C=O)c1Sc1ccc(Cl)cc1 169114 MUCQXWPJYOUCQJ-UHFFFAOYSA-N 328.824 4.704 0 50 EJAA O=C(Nc1ccccc1)Oc1ccc(Cl)cc1Br 285725 PBEPSACWBFJRQV-UHFFFAOYSA-N 326.577 4.713 0 50 EJAA COc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1OC 2835095 HJMSBOCJTVURML-UHFFFAOYSA-N 348.398 4.650 0 50 EJAA CC(C)(C)c1ccc(-c2nnc3sc(Cc4ccccc4)nn23)cc1 2862173 DAKGXIUTNCHWLB-UHFFFAOYSA-N 348.475 4.741 0 50 EJAA Cc1ccccc1[C@H]1C=C(c2cccnc2)Nc2nc3ccccc3n21 2919236 XVCCJMAQTZMWHW-OAQYLSRUSA-N 338.414 4.796 0 50 EJAA CCCN(CCC)C[C@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 3068320 YTAMEPAICSZHEE-YADHBBJMSA-N 341.495 4.634 0 50 EJAA CC(=O)Oc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 4842958 FZIGOHNUFJMAMP-UHFFFAOYSA-N 346.386 4.608 0 50 EJAA Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccnc1 4843198 SIAIWAIHVPHVNI-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA COC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12 6279219 JAIXXYWCLPDQKO-UHFFFAOYSA-N 335.403 4.784 0 50 EJAA CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SCC 6697174 YFSRLWOHAXELLH-UHFFFAOYSA-N 342.464 4.790 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1C 8739707 QTSUCCGWUWGYDA-UHFFFAOYSA-N 330.438 4.527 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1C 13746029 NUKKKUBDZMOCOH-CYBMUJFWSA-N 347.256 4.949 0 50 EJAA COc1ccccc1[C@@H]1CCCN1C(=O)c1sc(C(C)C)nc1C 68807073 KZZDYBUGNLOELG-HNNXBMFYSA-N 344.480 4.561 0 50 EJAA CCOC[C@@H]1CCCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 302028420 REKJNSYZKXJEEU-GFCCVEGCSA-N 339.266 4.795 0 50 EJAA C[C@H](NC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)c(F)c1 1458053520 AKLVMSJKIRUXJB-ZDUSSCGKSA-N 342.801 4.761 0 50 EJAA FC(F)(F)Oc1ccccc1-c1ccn2cc(C(F)(F)F)nc2c1 1875317762 CXHQBSIGJTWTOA-UHFFFAOYSA-N 346.230 4.919 0 50 EJAA Cc1ccccc1-c1nc(C)c(C(=O)N2CCCC23CCCC3)s1 2325738701 BKTFEQWGUYZYOA-UHFFFAOYSA-N 340.492 4.976 0 50 EJAA Cc1ccc2c(Cl)c(OC(=O)C[C@H](C)c3ccncc3)ccc2n1 2325742663 USUTVKQGTSGVRP-LBPRGKRZSA-N 340.810 4.691 0 50 EJAA Cc1ccc(C(C)C)c(OCc2nnc(S)n2-c2ccccc2)c1 94460 OSCREBPMAMPWBO-UHFFFAOYSA-N 339.464 4.567 0 50 EJAA Cc1cc(C)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 114005 GBBADNAQERISRO-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA CCOc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 250017 PLZOILDJLIRGRA-UHFFFAOYSA-N 347.418 4.715 0 50 EJAA O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1cccc(Cl)c1 572683 RTNQTBRVHQSZCI-UHFFFAOYSA-N 342.181 4.947 0 50 EJAA Cc1cc(C)cc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1 2815557 WNDHZTJXSJIFJW-QGZVFWFLSA-N 334.246 4.758 0 50 EJAA CCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1 2879506 UTNGDOVABKIONI-UHFFFAOYSA-N 345.196 4.565 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H](C)c1cc2ccccc2[nH]1 91986164 PLHRXTYSEWQYSU-ZDUSSCGKSA-N 341.480 4.889 0 50 EJAA O=C(Nc1ncccc1-c1ccccc1)c1cccc([C@H]2CCOC2)c1 253425775 OTRYIDUXPQVMPY-IBGZPJMESA-N 344.414 4.505 0 50 EJAA CC(C)Cc1ccc([C@@H](C)C(=O)N(C)Cc2c(F)cccc2F)cc1 1875325509 ZZNSCYPIHIHFCY-OAHLLOKOSA-N 345.433 4.925 0 50 EJAA CCc1ccc([C@H](CN[C@@H]2CCc3ccsc32)N(CC)CC)cc1 1875387978 IJNSKAXLNQVYOB-UXHICEINSA-N 342.552 4.971 0 50 EJAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)F)cc1 374524 VADNJZKGLMFMHM-UHFFFAOYSA-N 332.133 4.847 0 50 EJAA Cc1cc(O)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 451275 CXQMQTWVRTXITQ-GQCTYLIASA-N 336.218 4.968 0 50 EJAA CCCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 2832617 SWPXGYJYVCRXBT-UHFFFAOYSA-N 347.842 4.925 0 50 EJAA Fc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1 3905368 ARILRVFRJMXBAR-UHFFFAOYSA-N 329.444 4.537 0 50 EJAA O=C(c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 4241523 HSCQVAKHSDLCBA-UHFFFAOYSA-N 330.008 4.987 0 50 EJAA CCCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1 4841405 UJAKDBJFCHIYCT-UHFFFAOYSA-N 344.842 4.650 0 50 EJAA CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nccs1 12137765 UOZQFPAZRFUMFA-QGZVFWFLSA-N 338.432 4.606 0 50 EJAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN(C)C(C1CC1)C1CC1 15065811 QLRDVGPCSBRCCO-UHFFFAOYSA-N 332.394 4.549 0 50 EJAA Cc1ccc(C)c(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c1 22203899 KEUIVKVBOWMPOF-KRWDZBQOSA-N 334.246 4.758 0 50 EJAA CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CC)c1ccc(F)cc1 184438891 ZTSGNEABGNCGRZ-SFHVURJKSA-N 326.415 4.688 0 50 EJAA O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1ccccc1Cl 1460605408 PVCRDJCPWWDBMD-UHFFFAOYSA-N 334.246 4.889 0 50 EJAA O=C(Nc1cnc2c(F)cccc2c1)[C@@]12CCCC[C@H]1CC(F)(F)C2 1875328630 CMOXZVZLOHSVQI-SCLBCKFNSA-N 348.368 4.918 0 50 EJAA O=C(CSCc1ccc(Cl)cc1)Nc1cccc(Cl)c1 59383 RLDACGQLXCZUHO-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA O=C(NCCc1c[nH]c2ccccc12)Nc1cccc2ccccc12 472214 ZXDVNISSIZVULA-UHFFFAOYSA-N 329.403 4.685 0 50 EJAA Nc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2 1386311 SQMXGNUOHXNMKE-AWEZNQCLSA-N 342.229 4.721 0 50 EJAA CCOc1cc(C=O)ccc1OCCSc1ccc(Cl)cc1 2875952 LHCPEUGCFXLWOU-UHFFFAOYSA-N 336.840 4.722 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 5073200 ALPOGTVZQUFFDE-BJMVGYQFSA-N 348.833 4.978 0 50 EJAA CCOc1cc(C(=O)O)ccc1OCc1ccc(Cl)c(Cl)c1 11864458 DJEIEYVLILZEPZ-UHFFFAOYSA-N 341.190 4.669 0 50 EJAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 12432085 HIEOLCFWYJVLFW-FQEVSTJZSA-N 328.500 4.793 0 50 EJAA CCc1ccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)o1 12705022 ANLRGQGKOZSEMF-HNNXBMFYSA-N 343.492 4.659 0 50 EJAA COCC[C@@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)oc1C 14980263 MOVVIBMPDJGUDW-KRWDZBQOSA-N 348.874 4.694 0 50 EJAA COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1 207126726 WEHOIIGXTMKVRG-UHFFFAOYSA-N 336.416 4.976 0 50 EJAA in-vitro Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225717131 WQDMUCOZHKSZFI-SCPDWHHUSA-N 343.470 4.945 0 50 EJAA Clc1ccc2nc(-c3nccn3CC[C@@H]3CCCOC3)ccc2c1 1857682768 RSSRXILPFHLLKC-AWEZNQCLSA-N 341.842 4.568 0 50 EJAA O=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 91759 BYOFGWKOPRCCDL-UHFFFAOYSA-N 332.384 4.963 0 50 EJAA O=C(O)c1cccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c1 266149 GCMZWRAHQZBXFN-UHFFFAOYSA-N 341.370 4.739 0 50 EJAA COc1ccc(C[C@@H](C)CC(=O)Nc2cccc(Cl)c2C)cc1 301912 FPZFXWIJEOOLTP-CYBMUJFWSA-N 331.843 4.864 0 50 EJAA O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 461757 LCQXBIGAVDUGKE-UHFFFAOYSA-N 328.626 4.619 0 50 EJAA CC(=O)c1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 610337 PADIIUKVYLRESV-CQSZACIVSA-N 326.465 4.554 0 50 EJAA CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OCCO 4099076 JVKUCNQGESRUCL-LJQANCHMSA-N 344.536 4.754 0 50 EJAA in-vitro COc1ccc(-c2cccn2-c2ccc(Br)cc2)cc1 5330240 SZEKZZOKRHAYFB-UHFFFAOYSA-N 328.209 4.915 0 50 EJAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C2CCCC2)C1 11814130 LJUSLOSRJYQGGC-AWEZNQCLSA-N 325.374 4.543 0 50 EJAA O=C(CC1CCCC1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 12279427 FDCCHFCCUDCYML-UHFFFAOYSA-N 341.495 4.937 0 50 EJAA FC(F)(F)c1ccccc1CN1CCN(C2CCCCCC2)CC1 19789243 SKLPSJNAAPCITC-UHFFFAOYSA-N 340.433 4.546 0 50 EJAA CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccc(-c3ccccc3C)cc2)O1 65452161 KAIQRAKMOZRVGK-URVUXULASA-N 337.463 4.797 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N(Cc3ccccn3)CC(C)C)[nH]c12 91289297 CVIWPAHDAINSHZ-UHFFFAOYSA-N 349.478 4.787 0 50 EJAA C[C@@H]1[C@@H](N2C(=O)c3ccccc3[C@H]2NCc2ccccc2)CCC[C@H]1C 245253898 QUHYUADJNNQICY-CTOYSFNJSA-N 348.490 4.756 0 50 EJAA CCCCc1ncc(CN[C@@H](c2cccnc2)c2ccc(C)c(C)c2)[nH]1 952964415 LUMFSDINTLDIFW-JOCHJYFZSA-N 348.494 4.643 0 50 EJAA CC1(C)CCC2(CCN2C(=O)c2c(O)cc(Cl)cc2Cl)CC1 1875354996 WYWMSRMUUQLSTD-UHFFFAOYSA-N 342.266 4.884 0 50 EJAA Clc1nc(NCc2ccc(CC3CC3)cc2)c2ccsc2n1 1875357199 WTGLHDFOIJNLME-UHFFFAOYSA-N 329.856 4.909 0 50 EJAA CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 37909 HXWKAGNKUZEEQZ-UHFFFAOYSA-N 347.256 4.548 0 50 EJAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NC1CCCCCCCCCCC1 133418 QEEPPGIQINMYNK-QZTJIDSGSA-N 337.504 4.667 0 50 EJAA O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 194962 XMRPZRGAVFJQTJ-UHFFFAOYSA-N 336.822 4.511 0 50 EJAA Clc1ccccc1-c1noc(-c2cccc(Br)c2)n1 435547 VINGGSBKWJVCCV-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 13130637 AJAHXBHUQRMZKI-ZETRUCFYSA-N 330.431 4.830 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 238900755 JSSBVGZWZPTGCP-HWLKSRQQSA-N 349.908 4.742 0 50 EJAA Cc1ccc(CN(C(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)C2CC2)o1 1875252158 YOWSECYBMJBMRB-MUCHVSCFSA-N 325.408 4.509 0 50 EJAA C[C@@H](OC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccncc1 2325707219 FHMNLWFMBJTPIE-GFCCVEGCSA-N 331.799 4.584 0 50 EJAA Cc1ccc(Cn2c(NC(=O)c3cccs3)nc3ccccc32)cc1 273347 ZHAQYTYHTHFYPO-UHFFFAOYSA-N 347.443 4.707 0 50 EJAA Cc1ccccc1NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 398218 SPPGSFCLQXDUPL-UHFFFAOYSA-N 330.387 4.870 0 50 EJAA O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCCC1 468864 LCJJTHKHSRSZCZ-UHFFFAOYSA-N 339.222 4.916 0 50 EJAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(F)cc2)c2ccccc2)cc1 477770 DYYFLWJSVAZPGZ-OAQYLSRUSA-N 348.373 4.915 0 50 EJAA Cc1ccc(C(=O)[C@@H](OC(=O)Cc2ccccc2)c2ccccc2)cc1 571988 ZCYZNMAAPVTGGB-QHCPKHFHSA-N 344.410 4.705 0 50 EJAA CC(=O)c1ccccc1OCc1ccc(C(=O)c2ccccc2)cc1 1075305 OWVXBNHIVJRULJ-UHFFFAOYSA-N 330.383 4.699 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OC(=O)c3ccc(C)cc3)ccc12 4820369 LTGGVWMJUSLISH-UHFFFAOYSA-N 336.387 4.582 0 50 EJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(F)c1 7917660 KJTOMTBNUNXTHL-UHFFFAOYSA-N 348.736 4.834 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 33270606 NNTZELNVDSZFEO-OAHLLOKOSA-N 347.846 4.876 0 50 EJAA COC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 44126608 MXWMIUQJFKHJMF-UHFFFAOYSA-N 341.259 4.989 0 50 EJAA CC(C)(C)c1nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2[nH]1 476181960 XSYBXSSMJHISJZ-UHFFFAOYSA-N 346.434 4.523 0 50 EJAA Cc1cc(OCc2ccc(C(=O)NC3CCCCC3)o2)ccc1Cl 115492 DDRBEACQKFJOEG-UHFFFAOYSA-N 347.842 4.883 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCCCC1 774569 FQBXVZBXUWKXJB-UHFFFAOYSA-N 332.831 4.614 0 50 EJAA CCC(=O)c1ccc2c(c1)N(C[C@@H](C)N(C)C)c1ccccc1S2 896849 UVOIBTBFPOZKGP-CQSZACIVSA-N 340.492 4.832 0 50 EJAA biogenic,world CCCCOC(=O)c1ccc(OC(=O)Nc2cccc(Cl)c2)cc1 1738255 GSNSWDHTYCZOOT-UHFFFAOYSA-N 347.798 4.908 0 50 EJAA Clc1ccc(COc2ccc(I)cc2)cc1 70130651 XSCFEVMHPPUWIC-UHFFFAOYSA-N 344.579 4.524 0 50 EJAA O=C(c1cccnc1-c1ccccc1-c1ccccc1)N1CCCC1 97568932 YHJYETINCCVCAB-UHFFFAOYSA-N 328.415 4.652 0 50 EJAA Fc1cccc2c1nc(-c1ccc(Oc3cnccn3)cc1)n2C1CC1 438826622 OCXOFXLSSIQDHZ-UHFFFAOYSA-N 346.365 4.760 0 50 EJAA Cc1ccccc1-n1nccc1NC(=O)c1ccc(Cl)cc1Cl 499279294 GMUAMASLRHTORK-UHFFFAOYSA-N 346.217 4.740 0 50 EJAA CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 57465 ZQTVCQIJTREKSP-UHFFFAOYSA-N 340.492 4.834 0 50 EJAA biogenic,in-vitro CCCc1c2c(nn1-c1ccccc1F)C[C@H](c1ccccc1)CC2=O 111210 QGFBOLHMTMRFTJ-INIZCTEOSA-N 348.421 4.877 0 50 EJAA Cc1cccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c1C 281854 XRPKCGAOHAAMNS-UHFFFAOYSA-N 326.399 4.670 0 50 EJAA CC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 306837 PMUHRBDZYXACLL-UHFFFAOYSA-N 345.398 4.721 0 50 EJAA CN(C)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 340294 MJTNDKYNEVVKPH-UHFFFAOYSA-N 330.431 4.523 0 50 EJAA Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 464909 WARVYRGAKZOFIT-ZDUSSCGKSA-N 337.341 4.728 0 50 EJAA Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)NC3CC3)c2c1 1073434 NDOATBCWFDDFBL-UHFFFAOYSA-N 336.822 4.756 0 50 EJAA C/C(=C/c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 1130840 RHJCYBHJHWSRSF-ZCXUNETKSA-N 327.427 4.996 0 50 EJAA Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F 1644519 LXTKQRJZROGECH-UHFFFAOYSA-N 330.281 4.551 0 50 EJAA Nc1nc(-c2ccc(-c3ccc(Br)cc3)cc2)cs1 2574050 LOWLBQYVCRNFPN-UHFFFAOYSA-N 331.238 4.822 0 50 EJAA Cc1cc(=O)oc2cc(OC/C=C/c3ccccc3)c(Cl)cc12 2811916 IQNRYGZRNLRNOJ-VMPITWQZSA-N 326.779 4.847 0 50 EJAA Cc1ccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1 4845503 JEBXWMDTTKDHBI-UHFFFAOYSA-N 344.499 4.723 0 50 EJAA Cc1ccc(-c2cnn3c(Nc4ccc(F)cc4)cc(C)nc23)cc1 7636216 LXVNKOCGOSIKRG-UHFFFAOYSA-N 332.382 4.896 0 50 EJAA Cc1oc(-c2cccc(F)c2F)nc1CN1CC[C@@H]2CCCC[C@H]2C1 11773592 KNOXYFUYBAWCLE-GJZGRUSLSA-N 346.421 4.940 0 50 EJAA Cc1nc(SCC(=O)c2ccc(F)cc2)cc(-c2ccccc2)n1 12016864 DRIPPGCBYGHWOY-UHFFFAOYSA-N 338.407 4.566 0 50 EJAA O=C(CCC1CCN(Cc2ccoc2)CC1)Nc1ccccc1Cl 12718845 HLCCMHFMSBGTRA-UHFFFAOYSA-N 346.858 4.564 0 50 EJAA Cc1cc(C(F)(F)F)c2c(N)c(-c3nc4ccccc4[nH]3)sc2n1 220967786 MVXCBXHWFDPQEO-UHFFFAOYSA-N 348.353 4.749 0 50 EJAA CCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1OC 119894 IKVVZRXPEPTHGP-WYMLVPIESA-N 347.414 4.899 0 50 EJAA Cc1cc2nc(SCC(=O)c3ccc(Cl)cc3)[nH]c2cc1C 408194 NGPSBKZKDMCBOZ-UHFFFAOYSA-N 330.840 4.808 0 50 EJAA CCOc1cc(C=O)ccc1OCc1ccc(Cl)c(Cl)c1 444587 QZUPJJPYQKOZGW-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA O=C(CCNc1ccc(Br)cc1)c1ccc(Cl)cc1 2541812 DUKGOYJRXGYXLO-UHFFFAOYSA-N 338.632 4.787 0 50 EJAA CC(C)N(CC(=O)Cc1cccc2ccccc12)Cc1ccccc1 96027610 IOXAIRGWPZCKBY-UHFFFAOYSA-N 331.459 4.862 0 50 EJAA c1ccc(SCc2nc([C@@H]3CCOC3)nn2C2CCCCC2)cc1 96141818 HZKBOQILKHCPDT-OAHLLOKOSA-N 343.496 4.580 0 50 EJAA COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccnc(C)c2)cc1 119561249 AKVKTVYEFKIRFH-LJQANCHMSA-N 339.439 4.548 0 50 EJAA Cc1cccc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1C 225458411 JCGWRICHKTVWGI-CQSZACIVSA-N 341.842 4.858 0 50 EJAA CCCCOc1ccc(NC(=O)N2CCC[C@H]2c2ccon2)c(C)c1 1776005478 FQTGWZPAARABBR-SFHVURJKSA-N 343.427 4.531 0 50 EJAA CCOc1ccc2nc(SCc3ccc(OC)cc3)sc2c1 68062 AXJKWRKFGZTAHP-UHFFFAOYSA-N 331.462 4.996 0 50 EJAA O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 258516 LFWGZXMTCUOPFI-UHFFFAOYSA-N 326.355 4.662 0 50 EJAA in-vitro C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(F)c1 373845 UPZFGIRRLMMWHK-MRVPVSSYSA-N 346.160 4.678 0 50 EJAA CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 423606 CEBKIBMJRLCIGE-UHFFFAOYSA-N 326.783 4.810 0 50 EJAA CC(=O)Nc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1 612855 QLFQEAGHXAWKIR-UHFFFAOYSA-N 327.384 4.651 0 50 EJAA Cc1nn2c(NC3CCCC3)c3c(nc2c1-c1ccccc1)CCC3 2204643 SRKBEZCAEKUOMF-UHFFFAOYSA-N 332.451 4.548 0 50 EJAA CCOc1cccc(CNCc2ccco2)c1OCc1ccccc1 4942934 KOYCNZMJAJXLBP-UHFFFAOYSA-N 337.419 4.547 0 50 EJAA COc1ccc(CC(=O)N(c2ccccc2)c2ccccc2)cc1OC 5009631 PCSXWOKHIASIDR-UHFFFAOYSA-N 347.414 4.611 0 50 EJAA Cc1ccc(NC(=O)Nc2cccc(Cl)c2NC(=O)C(C)C)cc1 6743335 HGDTYETYOIWZLQ-UHFFFAOYSA-N 345.830 4.887 0 50 EJAA O=Cc1cccc(OCCOc2ccc(OCc3ccccc3)cc2)c1 8730013 LAORPRYYIFUXSL-UHFFFAOYSA-N 348.398 4.536 0 50 EJAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 11814955 SYXFLAFOSAZFMP-CQSZACIVSA-N 349.883 4.510 0 50 EJAA Cc1cc(NCc2cccc3cc[nH]c23)ccc1OCCN1CCCC1 237849775 QTJCZMXCMBRMFT-UHFFFAOYSA-N 349.478 4.563 0 50 EJAA CCCOc1ccc([C@@H](C)NC(=O)Nc2cccc3cc[nH]c23)cc1 681501310 HJJQWRZLCXVJDF-CQSZACIVSA-N 337.423 4.839 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2cccc3ccccc23)cc1C 1775971538 STIAMLXWEURAPU-UHFFFAOYSA-N 326.417 4.533 0 50 EJAA OCc1c(O)cccc1-c1ccc2ccn(Cc3ccccc3)c2c1 1875322826 JWOCGVMDARAXDM-UHFFFAOYSA-N 329.399 4.555 0 50 EJAA O=C(O)c1cccc(C(=O)O)c1N(c1ccccc1)c1ccccc1 185176 PQIBLDMWPNZYFW-UHFFFAOYSA-N 333.343 4.553 0 50 EJAA CCc1cc2c(=O)c(-c3ccccc3Cl)c(C)oc2cc1OC 311770 JSWZAQVDMVGLBO-UHFFFAOYSA-N 328.795 4.993 0 50 EJAA biogenic Clc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 341473 SICMXKBULFXEFQ-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA Cc1ccc(SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 620245 SAVLCLWXPZXIIH-UHFFFAOYSA-N 328.462 4.644 0 50 EJAA O=c1c2ccccc2nc(SCc2ccccc2Cl)n1C1CC1 2802825 BHCJSPOCFVYJJT-UHFFFAOYSA-N 342.851 4.677 0 50 EJAA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1 4542143 STLINPJTOKHSCB-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cc1 5063938 WSFWHWPXYGDTJQ-UHFFFAOYSA-N 348.284 4.994 0 50 EJAA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccs1 5103039 CPYLNJVVSYXZIG-UHFFFAOYSA-N 338.363 4.948 0 50 EJAA COc1ccccc1[C@H](C)N(C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 15064906 WAODTHSAZFHTQQ-KRWDZBQOSA-N 349.478 4.895 0 50 EJAA Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)c3ccncc3)sc2c1 16604995 MWVOJQJBBYSYPN-NSHDSACASA-N 330.840 4.749 0 50 EJAA Cc1cc(NCCC(C)C)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798896 GQDCLKJPAKAQJD-UHFFFAOYSA-N 326.419 4.610 0 50 EJAA Cc1c(Cl)cccc1C1=NNc2cc(Cl)c(Cl)cc2N1O 25759771 JWWFQBLTIJAPKX-UHFFFAOYSA-N 342.613 4.938 0 50 EJAA Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccccc2)c1 170615249 KGDSMYCZTAICEY-IBGZPJMESA-N 330.387 4.580 0 50 EJAA Cc1ccc(Cn2c[n+](Cc3cccc(Cl)c3)c3ccccc32)cc1 252490012 KHFZXDUGUYLGKJ-UHFFFAOYSA-N 347.869 4.987 0 50 EJAA C[C@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1cccs1 299742217 IWHMDXFCWMAMSQ-DUVNUKRYSA-N 326.421 4.528 0 50 EJAA Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl 35710 IOBRSBGNERMVKT-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA CC(C)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2748411 LHYUCTDUKCELLG-UHFFFAOYSA-N 329.268 4.758 0 50 EJAA CC[C@H](C(=O)Nc1cccc2nc(C(F)(F)F)[nH]c12)c1ccccc1 4625524 NPWKGIXCHLAERJ-LBPRGKRZSA-N 347.340 4.714 0 50 EJAA Cc1cc(Cl)c(OCCN2CCC[C@H](C)C2)c(Br)c1 4913695 QENZYTWVRBKUJJ-NSHDSACASA-N 346.696 4.522 0 50 EJAA Cc1cccc(-c2cc(C(=O)O)c3c(Br)cccc3n2)c1 6860632 NCEHBEDAFMKNFB-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA O=C(c1ccc2ncsc2c1)N1CCCCC[C@@H]1c1ccco1 82107049 NRMNSDHKZLTAJP-OAHLLOKOSA-N 326.421 4.647 0 50 EJAA Clc1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1Cl 124498191 AVTAQORSFKUPBZ-ZDUSSCGKSA-N 330.236 4.880 0 50 EJAA C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(-c2ccccc2)cn1 898320332 LFVYLAZPHLWMFE-OPAMFIHVSA-N 329.447 4.946 0 50 EJAA Cc1ccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)cc1 127363 NZZVWXJZHMTUBJ-UHFFFAOYSA-N 330.362 4.500 0 50 EJAA Cc1cc(C)cc(-c2nc(-c3ccc(Br)cc3)no2)c1 496721 ZOKRBWXCWDIGQX-UHFFFAOYSA-N 329.197 4.783 0 50 EJAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)CC(=O)N2 4488944 NIWGDZRRAPLFEG-AWEZNQCLSA-N 345.826 4.612 0 50 EJAA O=C(Nc1nccs1)c1cc(-c2ccccc2)nc2ccccc12 5575241 XTWZGRKXEVQUKD-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA aggregator COc1ccc(Cl)cc1NC(=O)N[C@H]1CCCc2ccccc21 17067915 KKRDVLGBILXQHB-HNNXBMFYSA-N 330.815 4.548 0 50 EJAA Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccccc1C=O 34927056 WJHMYKLBOWCSOJ-UHFFFAOYSA-N 327.767 4.695 0 50 EJAA in-vitro CC(=O)c1c(C)cc(C)c(CN[C@@H](CC(F)(F)F)C(C)C)c1C 445877833 PUVNIKMYXNQSTL-INIZCTEOSA-N 329.406 4.881 0 50 EJAA C[C@@H](CN(C)C(=O)c1ccc(Cn2cccc2)cc1)C1CCCCC1 1462081119 ONZNSTLEUUTJOU-SFHVURJKSA-N 338.495 4.825 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@@H]1C=Cc1cccs1 1857528409 DDWJQLRYZGZNDX-CQSZACIVSA-N 343.452 4.632 0 50 EJAA COc1nccc2c(-c3cc(C)ccc3OC3CCCC3)cncc12 2325776976 UAPFKCIQWANRHV-UHFFFAOYSA-N 334.419 4.935 0 50 EJAA Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12 85306 SBMHJHSFJKIETP-UHFFFAOYSA-N 345.246 4.767 0 50 EJAA O=C(NC1CCCC1)c1ccc(COc2ccc3ccccc3c2)o1 115621 FFOVSWOISDIPKK-UHFFFAOYSA-N 335.403 4.684 0 50 EJAA COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2ccccc2)cc1 316864 RBRVVJMVBVDHCK-CJLVFECKSA-N 343.426 4.552 0 50 EJAA Cc1cc(OC(=O)Nc2ccccc2F)c(C)cc1Br 397706 ZRZOGCADOINGND-UHFFFAOYSA-N 338.176 4.816 0 50 EJAA Cc1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)s1 461551 MCCRBKUEWNVOTG-MRXNPFEDSA-N 326.446 4.563 0 50 EJAA Cc1ccc(COc2ccccc2C(=S)N2CCC(C)CC2)cc1 1118916 BRWHYAYVVOTLJU-UHFFFAOYSA-N 339.504 4.981 0 50 EJAA CC1(C)C[C@@H](CNCC[C@@H](c2ccccc2)c2ccco2)CCO1 2139698 YLIFUTNQCPIQQY-HKUYNNGSSA-N 327.468 4.596 0 50 EJAA biogenic COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2C)cc1 2842039 BQHRMPJFJDWVJU-UHFFFAOYSA-N 347.414 4.835 0 50 EJAA COc1ccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)cc1C 4754685 MZMJMJULVVVILM-UHFFFAOYSA-N 341.432 4.811 0 50 EJAA C1CCC(N2CN(C3CCCCC3)CN(C3CCCCC3)C2)CC1 19318790 ZLLRUEJANKJPQE-UHFFFAOYSA-N 333.564 4.777 0 50 EJAA CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)(N)C1 19321450 DTOUUUZOYKYHEP-PMACEKPBSA-N 339.612 4.712 0 50 EJAA biogenic,world Cc1nn(C)cc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 189723909 QINQKWDDSJPUBG-KRWDZBQOSA-N 346.862 4.531 0 50 EJAA CCc1cc(C(=O)OC)c(NC(=O)c2cccc3ccccc23)s1 355511 YRGDXZMDQIRBQZ-UHFFFAOYSA-N 339.416 4.503 0 50 EJAA Cc1ccc(C(=O)Nc2cc(C)ccc2C(=O)c2ccccc2)cc1 407531 XDJFPBYQBVCJDF-UHFFFAOYSA-N 329.399 4.787 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2c1CCCC2 471228 JEOFNDHMKIBDIA-CYBMUJFWSA-N 329.827 4.625 0 50 EJAA Cc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Cl 556207 FYLFUNLTNVZYSZ-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1CCCCC1 4159820 WMKIUDRLWIDNML-UHFFFAOYSA-N 334.872 4.906 0 50 EJAA c1ccc(C2CCC(N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)CC2)cc1 102956684 LRFGDHOYBPTOBR-RUVSMMTOSA-N 338.539 4.519 0 50 EJAA O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cncs1 2325725410 KMDHJLGHEABVCT-UHFFFAOYSA-N 347.399 4.736 0 50 EJAA O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 127585 FYJUVJAKHKGNAQ-UHFFFAOYSA-N 342.851 4.569 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1 475166 JLYWTBJBAQJTNU-SECBINFHSA-N 328.170 4.539 0 50 EJAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1C[C@H]1c1ccccc1 475850 AEIJUXXVEWCNGC-JKSUJKDBSA-N 338.407 4.691 0 50 EJAA Cc1ccccc1OCCCC(=O)Nc1ccccc1C(F)(F)F 1772534 VBAVSZONUMWCHP-UHFFFAOYSA-N 337.341 4.812 0 50 EJAA CC(C)(C)C1CCC(NC2CCN(Cc3ccccc3)CC2)CC1 6761714 CRYJHBSXJQPSBQ-UHFFFAOYSA-N 328.544 4.846 0 50 EJAA Cc1ccc(F)cc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72128950 ZAWHPQOWYQXQLQ-UHFFFAOYSA-N 332.382 4.685 0 50 EJAA CCc1nc2ccccc2c(NCc2cccc(NC(C)=O)c2)c1C 225573279 RRAHQQDZFRYFLZ-UHFFFAOYSA-N 333.435 4.676 0 50 EJAA C[C@@H](NC(=O)Nc1ccc2n[nH]cc2c1)c1ccc2ccccc2c1 1775996435 FEWFQFWGWMPMCH-CYBMUJFWSA-N 330.391 4.599 0 50 EJAA CCCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 444559 GMPGDPPEGPLQSA-UHFFFAOYSA-N 338.451 4.975 0 50 EJAA Cc1ccccc1OC(=O)c1ccc(C(=O)Oc2ccccc2C)cc1 454857 GRCSTCVUPHAXQK-UHFFFAOYSA-N 346.382 4.742 0 50 EJAA Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Br 456521 WBIUAOZIJAXCHZ-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA COc1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 619274 PTLPZWRFWGOJBK-UHFFFAOYSA-N 327.236 4.811 0 50 EJAA CC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1064425 MRKZQDZYNVRCKZ-UHFFFAOYSA-N 347.370 4.657 0 50 EJAA CC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1 4858518 AGHJUJHRZRZIGI-UHFFFAOYSA-N 341.794 4.778 0 50 EJAA C[C@@H]1CN(CCCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 20168415 KJVYOTNIJSFCAY-RTBURBONSA-N 339.479 4.622 0 50 EJAA COc1ccc(SCCCn2c(O)nc3ccccc32)c(Cl)c1 1875362117 RSVLHFURUYLTMF-UHFFFAOYSA-N 348.855 4.586 0 50 EJAA Cc1cc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc(C)c1F 2325824258 WFGUALDLJPYTGS-UHFFFAOYSA-N 333.819 4.780 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC1=CCCCC1 116465 GZKIOEGCTTVCAF-LBPRGKRZSA-N 342.266 4.767 0 50 EJAA COc1ccccc1NC(=O)c1cc(Br)c(C)c(C)c1C 310249 ITWZCAOUCKIBGU-UHFFFAOYSA-N 348.240 4.635 0 50 EJAA O=C(O)c1ccccc1C(=O)c1ccc2sc3ccccc3c2c1 400149 VQILOYSAQXLEAU-UHFFFAOYSA-N 332.380 4.984 0 50 EJAA CC(C)[C@H](NC(=O)c1ccccc1Br)c1ccccc1 462343 RPZJTONLJNQUDK-INIZCTEOSA-N 332.241 4.576 0 50 EJAA CC[C@H](C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 505821 AFLSQYIEDHCLIE-WTHLRWBASA-N 341.495 4.520 0 50 EJAA COc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)c(OC)c1 612526 CVEPKCCPWIVETG-UHFFFAOYSA-N 347.465 4.644 0 50 EJAA CCc1cc2c(SCC(=O)c3ccc(C)cc3)ncnc2s1 4144217 ORNASBUGIMSYOU-UHFFFAOYSA-N 328.462 4.537 0 50 EJAA Cc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542122 QQUCDRCJWXRUBA-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Cc1cccc(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c1C 4984928 LXYDGVHSERPTOS-QFIPXVFZSA-N 330.383 4.754 0 50 EJAA aggregator CNCCC[C@@]1(c2ccc(Cl)cc2)OC(C)(C)c2ccccc21 5765951 HXEFLJYQNKUXNR-FQEVSTJZSA-N 329.871 4.849 0 50 EJAA Cc1ccccc1-c1cn[nH]c1C1CCN(C[C@H]2CC=CCC2)CC1 11912186 WHYRMLCSKINLCF-SFHVURJKSA-N 335.495 4.921 0 50 EJAA CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12167234 AORAYQMWUXTWIH-ABAIWWIYSA-N 349.883 4.534 0 50 EJAA CCOc1cccc(N[C@@H](c2cccc(C)c2)P2(=O)OCCO2)c1 22017808 VDRKNTSKPCQLPO-GOSISDBHSA-N 347.351 4.744 0 50 EJAA Cc1nn(C(C)C)cc1CN[C@@H](c1cccc(Cl)c1)C(F)F 1474706347 APHWQHKKCLLATA-HNNXBMFYSA-N 327.806 4.522 0 50 EJAA Fc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 103918 PHSXTHBFQRKTHO-UHFFFAOYSA-N 331.394 4.836 0 50 EJAA O=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1 176862 MRDNHYLTHWKOEU-UHFFFAOYSA-N 348.221 4.565 0 50 EJAA CCOc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 189952 WXDCNWUUMGARRR-UHFFFAOYSA-N 334.293 4.878 0 50 EJAA biogenic O=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 312939 MKIXMKFINFXEDT-UHFFFAOYSA-N 346.390 4.975 0 50 EJAA Cc1ccc(SCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 367834 ZQFKDKJZSYZCTD-UHFFFAOYSA-N 342.247 4.738 0 50 EJAA Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1C 465983 ZTHNKKVRBGWKSS-CYBMUJFWSA-N 337.341 4.728 0 50 EJAA CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 2862801 YFCSATRLCOPWGF-HNNXBMFYSA-N 339.435 4.593 0 50 EJAA Cc1ccc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 2868195 WKCYZASXMUOSGV-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA COc1ccc2c(Cl)c(C(=O)N[C@H](C)C(C)(C)C)sc2c1 2872866 JZLYMCJKKWZTPZ-SECBINFHSA-N 325.861 4.728 0 50 EJAA Cc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1F 13736932 AUKKGDSBXOAJMV-UHFFFAOYSA-N 328.334 4.962 0 50 EJAA Cc1cc(O)ccc1NC(=S)Nc1ccc(Cl)cc1Cl 17066922 VFEKOCCOXOPZNC-UHFFFAOYSA-N 327.236 4.816 0 50 EJAA Cc1c(C(=O)N2CCOC23CCCCC3)oc2ccc(Cl)cc12 28292564 DQNZWBNMJUDHLK-UHFFFAOYSA-N 333.815 4.527 0 50 EJAA O=C(NCCCC[C@@H]1CCCO1)c1ccc(-c2cccc(F)c2)cc1 220746931 QBFTZOKBOJDVPU-HXUWFJFHSA-N 341.426 4.572 0 50 EJAA Cc1ccc(Cn2c[n+](Cc3ccccc3Cl)c3ccccc32)cc1 252480089 BURCXTUVXFNLNM-UHFFFAOYSA-N 347.869 4.987 0 50 EJAA Fc1ccc(OCc2ccncc2)c(-c2nc3c(s2)CCCC3)c1 2325777012 YGODWVVIDCWQPZ-UHFFFAOYSA-N 340.423 4.802 0 50 EJAA COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1cccs1)N2 35081 RXFUIFJLKCASDT-IAGOWNOFSA-N 331.437 4.554 0 50 EJAA Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)cc1 60295 IFZZINHKFFAFDG-MRXNPFEDSA-N 348.265 4.536 0 50 EJAA O=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccco1 278981 LAZAKNXZIFXUNV-UHFFFAOYSA-N 346.342 4.530 0 50 EJAA Cc1cc(SCC(=O)Nc2ccccc2Cl)nc2ccccc12 421428 BBWAGVBGCDFPKI-UHFFFAOYSA-N 342.851 4.927 0 50 EJAA Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 450169 PJBGAPCVUNMHRB-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA S=C(Nc1ccc(Cl)cn1)Nc1cccc(Cl)c1Cl 610839 KWRDAYQKTIGBJQ-UHFFFAOYSA-N 332.643 4.851 0 50 EJAA CCOC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 611050 XMLKWMCJCOXEQH-UHFFFAOYSA-N 348.855 4.634 0 50 EJAA Cc1cc(Br)ccc1NC(=O)CCCOc1ccccc1 2992121 OFOOOCUVGYIZFT-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4903269 XTIBUUCCWIKJEO-ASAVKBKASA-N 341.495 4.565 0 50 EJAA Cc1cccn2cc(-c3ccc(N[C@@H](C)c4cccnc4)cc3)nc12 182876411 USTBDVHCFUSJSE-INIZCTEOSA-N 328.419 4.878 0 50 EJAA C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccsc1 252077335 DFNQUPKLYPIEHV-CJNGLKHVSA-N 325.437 4.696 0 50 EJAA FC(F)(F)c1cccnc1NCC[C@@H]1CCCCN1C1CCCC1 670460112 LJORXNOBGXYVTP-HNNXBMFYSA-N 341.421 4.700 0 50 EJAA CC1(C)CC(=O)c2cnc(SCc3ccsc3Cl)nc2C1 1473057293 BNELBYWTOTZKEP-UHFFFAOYSA-N 338.885 4.639 0 50 EJAA COc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)cc2)cc1 48425 JMLIBSAYWRQXIV-UHFFFAOYSA-N 342.398 4.981 0 50 EJAA c1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1 66607 YISSDERVCVSJHT-UHFFFAOYSA-N 343.455 4.921 0 50 EJAA aggregator Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1 475022 KOVGSOPWQJPRNF-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA C[C@@H]1C[C@@H](C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 2496963 FJCJTHYUFAKHMZ-CHWSQXEVSA-N 344.282 4.657 0 50 EJAA Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2Cl)c1 2825072 GIBQVTYONIZLGN-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1c1ccccc1 4800607 GZFUVVNXJDDLBT-XBCQCDMNSA-N 326.395 4.762 0 50 EJAA Cc1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)s1 13746587 FPEJILMAZPAUEZ-UHFFFAOYSA-N 344.248 4.620 0 50 EJAA CN(C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CCCCCCC1 170631351 UYMUQBOQYKCYGM-WMZOPIPTSA-N 338.536 4.582 0 50 EJAA O=C1C[C@@H](c2ccco2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263586068 POKLXUIHFXWENG-MRXNPFEDSA-N 342.398 4.757 0 50 EJAA biogenic Cc1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1-c1ncco1 408442709 LVOIJCKQHUEXAQ-UHFFFAOYSA-N 327.428 4.694 0 50 EJAA C[C@@H](NC(=O)c1ccc2ccsc2c1)c1cccc(OC(F)F)c1 1875324662 HXLJCNKVHNEKRS-LLVKDONJSA-N 347.386 4.994 0 50 EJAA C=CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 1875384746 WDEXHWVFNBMASS-MRXNPFEDSA-N 339.744 4.750 0 50 EJAA Fc1c(N2CCC[C@H]2c2cccnc2)ccc2c(Cl)ccnc12 2325743756 ANUZGRJASQDFDO-HNNXBMFYSA-N 327.790 4.764 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1cccc(CC(C)C)c1 2325842000 LRJBGNMLFGRUBN-CTNGQTDRSA-N 339.523 4.695 0 50 EJAA FC(F)(F)c1cccc(N2CCN(C3CCCCCC3)CC2)c1 279920 KBBBHDBPAVYWLF-UHFFFAOYSA-N 326.406 4.550 0 50 EJAA CCOc1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1 392050 MNAZJSVIHZMVDJ-UHFFFAOYSA-N 332.407 4.572 0 50 EJAA O=C(CSCc1cccc(Cl)c1)Nc1cccc(Cl)c1 443520 ZDFSXTWDXBXKDC-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA CCc1ccc(OCc2cccc(C(=O)NC3CCCCC3)c2)cc1 467470 VDNBTCLDGFALPB-UHFFFAOYSA-N 337.463 4.891 0 50 EJAA CCc1c(C)c2ccc(OCc3ccccc3OC)c(C)c2oc1=O 488604 BEROULNWOGXEKH-UHFFFAOYSA-N 338.403 4.560 0 50 EJAA biogenic Cc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1-c1ccccc1 507626 HSACGBSUFJBCLK-UHFFFAOYSA-N 345.246 4.742 0 50 EJAA Cc1ccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)cc1 2171786 WPNXQOQGNVBFIS-UHFFFAOYSA-N 340.206 4.929 0 50 EJAA Cc1cc(NCc2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2203156 UPIMPCRSIJLSHJ-UHFFFAOYSA-N 348.837 4.970 0 50 EJAA Cc1nc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)c(C)s1 20997284 KDUOHGPTWZXGJI-JTQLQIEISA-N 347.509 4.978 0 50 EJAA Cc1[nH]ccc1C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 177698308 GMUIDKHQFJPOCG-UHFFFAOYSA-N 330.309 4.660 0 50 EJAA C1=CC[C@H](CN2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)CC1 199811185 PAFHJBJGROHXQW-VQTJNVASSA-N 335.495 4.536 0 50 EJAA CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@H](C)c3ccco3)cc2)nn1 534639973 OSVKKHBVSLXWCB-OAHLLOKOSA-N 349.434 4.693 0 50 EJAA CC[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 806174995 ROIGUMNNCJWFOD-IAGOWNOFSA-N 341.348 4.619 0 50 EJAA Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 934696 SKTFDNYNCRPXCA-FXAWDEMLSA-N 334.350 4.661 0 50 EJAA COc1ccc(C(=O)Nc2ccc([C@H]3CC3(Cl)Cl)cc2)cc1 1076273 HQEHSLRUAMVVQG-OAHLLOKOSA-N 336.218 4.609 0 50 EJAA O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 5515752 RYRPHZROJNDXEV-UHFFFAOYSA-N 334.440 4.796 0 50 EJAA C[C@@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 7520721 HFBYYXYBSOUTJL-XUXNNNHQSA-N 332.488 4.717 0 50 EJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1cccs1 33012285 GUIGLHBPCMIOSH-HNNXBMFYSA-N 342.395 4.520 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)no1 64984633 MMBMBLHNCJCCGK-GOSISDBHSA-N 327.428 4.613 0 50 EJAA CCN(CC)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 96026733 CTSWSUTWJCCIJK-UHFFFAOYSA-N 329.831 4.719 0 50 EJAA CCN(CC)CCOc1ccc(-c2nc3ccccc3s2)cc1 96027228 RLJCBYUHFLZGQC-UHFFFAOYSA-N 326.465 4.684 0 50 EJAA Cc1ccc(N(C)C(=O)c2ncoc2-c2ccccc2Cl)c(C)c1 170640180 RCPMHESRCNTTQI-UHFFFAOYSA-N 340.810 4.888 0 50 EJAA CC1=C[C@@H](C)[C@@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 244712676 KUFAUZJRIITNBN-KINXCBNHSA-N 333.560 4.758 0 50 EJAA C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 440755538 PGJKMLLBZWVONI-XNJGSVPQSA-N 345.874 4.706 0 50 EJAA CC1(C)C[C@H](c2ccccc2)CN1Cc1cccc(C(=O)O)c1Cl 903933534 BDKZMUHFPHQCSQ-INIZCTEOSA-N 343.854 4.806 0 50 EJAA O=C(O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 112211 SZSCCJBAFZWMEW-UHFFFAOYSA-N 341.370 4.739 0 50 EJAA biogenic Cc1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 570042 NHMXYOLXBZFFSG-UHFFFAOYSA-N 331.415 4.573 0 50 EJAA CCN(CC)CCC[C@@H](C)Nc1nc(C)nc2cc(Cl)ccc12 2268141 AJYXURRZDRISPR-CYBMUJFWSA-N 334.895 4.514 0 50 EJAA COc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1 2884372 UXSODOQJYIGRLG-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccncc1 5094095 ISZQKFFWIPQLNK-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA Cc1cccc(-n2nc(-c3ccc(CC(C)C)cc3)cc2C(=O)O)c1 6234455 ALUGTCXJNJVUKH-UHFFFAOYSA-N 334.419 4.744 0 50 EJAA COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 8496789 KBQYUFUBWOCWOE-MRXNPFEDSA-N 347.414 4.768 0 50 EJAA CC[C@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccc(F)cc1 55088028 JZZIOSHUBLGTQI-FQEVSTJZSA-N 335.426 4.832 0 50 EJAA CC(C)(C)[C@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 136066111 NUFMXUVBRHSLPS-IAGOWNOFSA-N 330.497 4.872 0 50 EJAA CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ncc(C(C)(C)C)o1 187073350 DAMIQFCYHIKYEK-CQSZACIVSA-N 346.496 4.502 0 50 EJAA C/C(=C\C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1)C1CC1 222115679 SXJAKLWWOJQLHL-ZRDIBKRKSA-N 327.453 4.623 0 50 EJAA C[C@H](CCN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1)c1ccccc1 239306250 GPUZEMUACDCDIM-OIBXWCBGSA-N 340.555 4.909 0 50 EJAA COc1cc(C)ccc1OCc1csc(-c2ccc(F)cc2)n1 301604605 HPRABYUVSGUOIX-UHFFFAOYSA-N 329.396 4.845 0 50 EJAA C[C@@H]1CN(Cc2cnc(O)c3ccccc23)CC[C@H]1c1ccccc1 1167500123 RSZHDZZECXVGFL-VQIMIIECSA-N 332.447 4.566 0 50 EJAA CC(C)c1cccc(N(CCO)Cc2cc3cc(Cl)ccc3[nH]2)c1 1875358685 FNFXERJGVWFJIU-UHFFFAOYSA-N 342.870 4.944 0 50 EJAA Clc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 54851 KYKJBVPFTHVCGH-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2n1 120848 QXBPLQTYZOEHLF-UHFFFAOYSA-N 326.783 4.711 0 50 EJAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1cc2ccccc2o1 454612 JWEXNVSTLXDULB-UHFFFAOYSA-N 344.823 4.521 0 50 EJAA CCCCc1ccc(NC(=S)Nc2cc(OC)ccc2OC)cc1 2342161 RRIFDHHOMBBNKQ-UHFFFAOYSA-N 344.480 4.855 0 50 EJAA COc1ccccc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3434515 ARZYXWYYYFUJKM-JTQLQIEISA-N 339.222 4.885 0 50 EJAA Cc1ccn2c(C(=O)CSc3ccc(Cl)cc3)c(C)nc2c1 4003147 SEFANKIBSAKVEN-UHFFFAOYSA-N 330.840 4.580 0 50 EJAA CC(C)[C@H]1Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3)c(=O)c21 22342903 YNTKNBZPHVGQEK-QGZVFWFLSA-N 348.471 4.858 0 50 EJAA CC(C)[C@]1(O)[C@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 239402511 QTCCWCRPTWVSSV-UDMCKFQASA-N 337.507 5.074 0 50 EJAA Clc1cncc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 1875268529 OLRWZEZZQRLTKE-UHFFFAOYSA-N 338.842 4.547 0 50 EJAA C[C@H](N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(-n2ccnc2)c1 1875338982 RXKUASJIGLDAAT-SCWSEQNSSA-N 349.453 4.998 0 50 EJAA Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C)c(Cl)c1 145290 BAGGJXOAVYNISK-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA O=C(Nc1ccc(Br)cc1)Nc1cccc(Cl)c1 295284 UKINRRRVXPZMRM-UHFFFAOYSA-N 325.593 4.747 0 50 EJAA Cc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1C 306456 DSYHATDSLODBLS-IBGZPJMESA-N 344.458 4.884 0 50 EJAA O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1 354201 LDSPFGGNTPVCHK-XCVCLJGOSA-N 336.616 4.754 0 50 EJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 453121 BZOJPPQCOBVZCJ-KRWDZBQOSA-N 347.414 4.672 0 50 EJAA C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1 466349 JQGRDGDZXSCURJ-JTQLQIEISA-N 338.632 4.845 0 50 EJAA CC(C)Oc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 1002431 HPLJEESGDDWGQM-UHFFFAOYSA-N 346.430 4.581 0 50 EJAA CCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 1905135 XXHMWVJVGPUIRE-UHFFFAOYSA-N 332.787 4.551 0 50 EJAA Cc1cc(C)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1 2740374 GQQMPGMAGBGPKX-UHFFFAOYSA-N 329.268 4.560 0 50 EJAA O=C(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O 2859320 NSPLXNBEHSXYHJ-UHFFFAOYSA-N 346.795 4.611 0 50 EJAA Cc1cccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)c1 4320589 WZFUTZHRRIHHJC-UHFFFAOYSA-N 328.799 4.894 0 50 EJAA O=C(Nc1ccc(F)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1 4957799 PJGKZSZFRDCQRL-HXUWFJFHSA-N 331.390 4.770 0 50 EJAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc2ccccc12 6584224 AFZVMJUGNNUXRD-UHFFFAOYSA-N 348.789 4.971 0 50 EJAA Cn1c(CCc2ccccc2)nnc1SCc1ccc(Cl)cc1 17071791 SQLZEEMTZRVCLG-UHFFFAOYSA-N 343.883 4.546 0 50 EJAA CC(C)[C@H](c1ccccn1)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 67714058 GIYHDXUFUZIWGE-LJQANCHMSA-N 343.434 4.581 0 50 EJAA Cc1cc(N2CCC[C@H](c3nccn3CC3CC3)C2)nc2ccccc12 82115160 SZRQXHKOQQELDF-SFHVURJKSA-N 346.478 4.534 0 50 EJAA Cc1cc2cccc(NC(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2o1 96165756 JNRUSGVPDHDCFM-GOSISDBHSA-N 335.407 4.751 0 50 EJAA COc1ccccc1[C@@H](NCc1ncc(C)o1)c1ccccc1Cl 127995551 LXQZBZDAASXRPU-IBGZPJMESA-N 342.826 4.524 0 50 EJAA C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C 169793901 RTCLHEHPUHREBC-UHFFFAOYSA-N 348.936 4.721 0 50 EJAA C[C@H]1CCc2sc3nc(=S)n(-c4ccccc4)c(O)c3c2C1 239212572 SYPKRKMIFJVVBB-JTQLQIEISA-N 328.462 4.647 0 50 EJAA CCCCn1c[n+](Cc2ccc(Br)cc2)c2ccccc21 252484120 FPAUFLRVKYBRLB-UHFFFAOYSA-N 344.276 4.540 0 50 EJAA C/C(=C\c1ccccc1)CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 820390967 CXCQNUVBQHLPCJ-PEODWTRQSA-N 338.539 4.819 0 50 EJAA CCc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 150810 ZSAQXEKXWDNWKD-AWEZNQCLSA-N 331.843 4.925 0 50 EJAA Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1 193771 FRSMLANYBOTORN-UHFFFAOYSA-N 325.371 4.578 0 50 EJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccccc12 390765 MMVJSAQTGMMWEA-UHFFFAOYSA-N 343.382 4.500 0 50 EJAA CC(C)Oc1ccc([C@@H](CC(=O)N2CCCC2)c2ccccc2)cc1 487946 IWULHUSXJHRRTB-NRFANRHFSA-N 337.463 4.618 0 50 EJAA biogenic C[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 571803 PCQMXTKVLBHSQN-GFCCVEGCSA-N 337.847 4.590 0 50 EJAA Cc1cc(C)nc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1200969 SHLZOULJAHDEAU-UHFFFAOYSA-N 330.431 4.859 0 50 EJAA Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)cc1 2879899 JMVAFHCDNYMVNS-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA Clc1cccc(Cl)c1OCCOc1cccc2cccnc12 2984843 FLZOSCCTNVCMLG-UHFFFAOYSA-N 334.202 4.999 0 50 EJAA CC(C)Oc1ccc(Br)cc1CNCc1ccccc1 4857818 XWPMIVULRZQAEX-UHFFFAOYSA-N 334.257 4.526 0 50 EJAA C/C=C/c1ccc(OCCCCN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 4914986 XJPDXOUEONEOAM-HEAXLZMOSA-N 331.500 4.865 0 50 EJAA COc1ccc(CC[C@H](C)NCc2cccc(C(F)(F)F)c2)cc1 23282595 GLGUJWXQPAOYNK-AWEZNQCLSA-N 337.385 4.825 0 50 EJAA C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 101641312 QQKRIDPKLWUPHG-MRBYEJRBSA-N 327.255 4.940 0 50 EJAA Cc1ccc2c(c1)[nH]c1c(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ncnc12 248330402 FRHBWSBLWONNKN-SZNDQCEHSA-N 334.467 4.825 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1C 332129992 BSTFFQHPNXMBSZ-HDMKZQKVSA-N 340.471 4.572 0 50 EJAA CCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2c(C3CC3)n[nH]c2C)c1 534667787 HQEGAWUCDLLDOE-LJQANCHMSA-N 349.478 4.833 0 50 EJAA Cc1ccc2c(C(=O)Nc3ccc(C)c(-c4ncco4)c3)coc2c1 1875338424 XMBVKRIQFLTJDL-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA Ic1c(-c2ccccc2)noc1-c1ccccc1 288972 BCNDCWAZCSFBDY-UHFFFAOYSA-N 347.155 4.613 0 50 EJAA COc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 316867 VWMQUNORWYLHJB-UHFFFAOYSA-N 344.414 4.791 0 50 EJAA O=C(CSCc1c(F)cccc1Cl)NC1CCCCCC1 1063827 XFPYNNADKIBVOJ-UHFFFAOYSA-N 329.868 4.551 0 50 EJAA Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cs1 2754926 FLULUGCCQPMJIU-UHFFFAOYSA-N 332.425 4.880 0 50 EJAA CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 2868525 RGBVXODEPXFSGF-UHFFFAOYSA-N 344.414 4.754 0 50 EJAA Cc1ccc(CSCCNC(=O)Nc2cccc(Cl)c2)cc1 2871225 SUWDKPQWLYVYCP-UHFFFAOYSA-N 334.872 4.703 0 50 EJAA C[C@@H](Nc1nc(Nc2ccc(F)cc2)nc(=S)[nH]1)c1ccccc1 13154159 IHDYLPVKPZSYMR-LLVKDONJSA-N 341.415 4.590 0 50 EJAA Clc1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)cc1 55543868 MFGOLLWMPXADCI-UHFFFAOYSA-N 336.866 4.815 0 50 EJAA CCOCc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 155106271 OTIKNTUTYAFWBI-UHFFFAOYSA-N 339.366 4.875 0 50 EJAA Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(F)c(F)c1F 170609660 KYDCUGTVEXGKKL-UHFFFAOYSA-N 347.296 4.711 0 50 EJAA C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 430556551 UUMUHABJPQAEHW-IWMITWMQSA-N 344.414 4.862 0 50 EJAA Cc1ccc(Cl)cc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 64371 VZBWLEPWGBUVSP-UHFFFAOYSA-N 347.801 4.701 0 50 EJAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CC(C)C 235396 HLIRJSOFWLOXGB-UHFFFAOYSA-N 337.466 4.638 0 50 EJAA COc1ccc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1OC 342019 LSRXSEDCUXUCLG-UHFFFAOYSA-N 338.407 4.718 0 50 EJAA CC(C)(C)c1ccc(C(=O)Nc2ccccc2Br)cc1 449933 UQUBHCBHXJYVMB-UHFFFAOYSA-N 332.241 4.999 0 50 EJAA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1 4715962 AVNPJAYPXXRCFB-QGZVFWFLSA-N 342.826 4.628 0 50 EJAA Cc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 13745475 SAOIMBKLULCJSQ-LBPRGKRZSA-N 333.229 4.640 0 50 EJAA CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C 14975738 NQTMRZNYLIGQCF-UHFFFAOYSA-N 339.479 4.933 0 50 EJAA in-vitro Cn1ncc2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc21 20604882 ITFNDNZDIWFKGN-UHFFFAOYSA-N 327.309 4.807 0 50 EJAA Cn1ccc2c(C(=O)N(Cc3cccnc3)C3CCCCC3)cccc21 215758587 UIQGIVHHJMLGDZ-UHFFFAOYSA-N 347.462 4.548 0 50 EJAA C[C@@H](Nc1ncnc2cc(F)c(F)cc12)c1cc2ccccc2o1 342454084 GIUABQKLLSLJMK-SNVBAGLBSA-N 325.318 4.827 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)nc1 1188654450 HCHXXYUSHACIJB-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA C[C@H](O)[C@@H](NCc1ccc(-c2cccc(F)c2)s1)c1ccccc1 1461666104 COYAPNHGRIXDRI-VBKZILBWSA-N 341.451 4.766 0 50 EJAA COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 432116 AEPJJSIKAPYQBL-VQTJNVASSA-N 336.431 4.811 0 50 EJAA Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)c(C)c1 588441 NAQCMFAJGAVTIH-UHFFFAOYSA-N 332.241 4.935 0 50 EJAA COc1cccc([C@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 609101 VSTMJQMJHGYXER-NSHDSACASA-N 338.329 4.597 0 50 EJAA CC1CCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)CC1 4541850 XJWPPRRJAUDSPE-UHFFFAOYSA-N 331.843 4.791 0 50 EJAA C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541852 UGTKXERFWCSHEX-CQSZACIVSA-N 331.843 4.934 0 50 EJAA CC[C@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 13328974 DEHMRHNQICQUMP-HNNXBMFYSA-N 348.830 4.630 0 50 EJAA Cc1cccc(NC(=O)Nc2c(F)cc(F)cc2Br)c1 20408286 PPAVOYQHMPYKEJ-UHFFFAOYSA-N 341.155 4.680 0 50 EJAA Cc1nn(-c2ccccc2F)c2nc(C3CC3)cc(C(F)(F)F)c12 20604375 GUBUURJYOKLWFG-UHFFFAOYSA-N 335.304 4.764 0 50 EJAA CCOC(=O)[C@@H](NCC[C@H](C)CC(C)(C)C)c1ccccc1Cl 96026428 ALRYVEUWOHBWSB-YOEHRIQHSA-N 339.907 4.996 0 50 EJAA FC(F)(F)Cc1ccc(NCc2csc([C@H]3CCCO3)n2)cc1 134862993 BFWWURMCENOFIH-CQSZACIVSA-N 342.386 4.712 0 50 EJAA CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 9158 RBWNFHXBUDPAIO-UHFFFAOYSA-N 335.426 4.692 0 50 EJAA biogenic COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 609544 TWCOGUBFEXWSMW-UHFFFAOYSA-N 348.402 4.918 0 50 EJAA COc1ccc2nc(NC(=O)Cc3cccc4ccccc34)sc2c1 611482 UJVYFOWYLNWXBX-UHFFFAOYSA-N 348.427 4.639 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OC(=O)C3CCCCC3)ccc12 858875 MVELUOGASWHXLX-UHFFFAOYSA-N 328.408 4.540 0 50 EJAA CCCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1 1853286 AFBYUMJWDPDEHF-UHFFFAOYSA-N 335.350 4.719 0 50 EJAA Cc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 2876101 AFLBKMPJNKRBIH-UHFFFAOYSA-N 332.388 4.574 0 50 EJAA COc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1Cl 2936831 JMVSBRMRXLZZLQ-UHFFFAOYSA-N 344.798 4.751 0 50 EJAA CCn1cc(-c2nnc(SCc3ccccc3)n2C)c2ccccc21 4759128 AZLPSXCPJSSZBM-UHFFFAOYSA-N 348.475 4.749 0 50 EJAA O=C(c1ccccc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28291441 UYNFCMJZQCNCJK-UHFFFAOYSA-N 340.785 4.721 0 50 EJAA CN(C)N1C[C@](Cc2ccccc2)(c2ccccc2)c2ccccc21 96027318 QDWTUUZBMWKFAT-HSZRJFAPSA-N 328.459 4.512 0 50 EJAA CC(C)c1nc2ccc(N[C@@H](c3cccnc3)c3ncc[nH]3)cc2s1 195107421 MEZONYMEABUXDJ-KRWDZBQOSA-N 349.463 4.739 0 50 EJAA Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(C(C)C)c3)c2)cs1 302794625 VBVWUGGIPBQBCV-UHFFFAOYSA-N 325.437 4.822 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)C1CCCCC1 196258 XZBRFMSSDZJOOT-UHFFFAOYSA-N 332.831 4.708 0 50 EJAA O=Cc1cc(Br)ccc1OCc1c(F)cccc1Cl 227078 QQKRWRWITXVNQN-UHFFFAOYSA-N 343.579 4.633 0 50 EJAA COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 326167 BEFXTRPXUAONIH-UHFFFAOYSA-N 342.782 4.564 0 50 EJAA O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2cc3c(cc2N1)OCO3 427644 JJPMMWQWEVXZIM-KRWDZBQOSA-N 343.382 4.556 0 50 EJAA CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 442776 CGGULXKKXGMWBU-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA CCCc1sc(C(=O)N2CCCC[C@@H]2CC)cc1Br 1459126 ITDKTTNXTJFENI-NSHDSACASA-N 344.318 4.868 0 50 EJAA Brc1ccc(-c2csc(Nc3cccnc3)n2)cc1 2567007 JWSLHQTYUBJJCQ-UHFFFAOYSA-N 332.226 4.711 0 50 EJAA Cc1ccc(S[C@H](C)C(=O)Nc2nc3ccccc3s2)cc1 2881008 HDKCZXGHCMAVDI-GFCCVEGCSA-N 328.462 4.724 0 50 EJAA CN(C(=O)c1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 12138634 UTNSXFMGNOZHME-UHFFFAOYSA-N 345.402 4.607 0 50 EJAA COc1ccc(CCNc2cc(C)c3ccc(Cl)cc3n2)cc1 23634856 XZBRKUDPDVIFFX-UHFFFAOYSA-N 326.827 4.860 0 50 EJAA CC(C)Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)on1 91737048 YUGISTDQCYCMDB-GOSISDBHSA-N 344.430 4.770 0 50 EJAA Clc1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 100687835 QWTXUURPCZUESE-INIZCTEOSA-N 343.217 4.641 0 50 EJAA Cc1oc(-c2ccco2)nc1CN1CC=C(c2ccccc2F)CC1 127593668 JSBTXBSKZOVKFH-UHFFFAOYSA-N 338.382 4.671 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 130109678 XTNHJZHVJURGLA-MEDUHNTESA-N 343.402 4.615 0 50 EJAA FC(F)(F)CCOc1cccc(Br)c1C(F)(F)F 169725661 YEUWQRJPWXYFRX-UHFFFAOYSA-N 337.057 4.799 0 50 EJAA FC(F)(F)c1cc(Cl)c2cnc(-c3ccc(Cl)nc3)n2c1 169799032 INYKPDAKCBOFMP-UHFFFAOYSA-N 332.112 4.722 0 50 EJAA CCN(C(=O)Nc1ncc(C(C)C)s1)[C@@H](C)c1cccc(O)c1 192390977 WMNQRZNFIIZINA-LBPRGKRZSA-N 333.457 4.587 0 50 EJAA COc1ccc(-c2ccncc2)cc1-c1ncccc1N1CCCCC1 1875339418 JAEGBLQRJPBVEX-UHFFFAOYSA-N 345.446 4.810 0 50 EJAA CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 300440 LQAXYXRILKSWNR-UHFFFAOYSA-N 344.263 4.517 0 50 EJAA O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 433953 VWVAORNPJFLDEG-BQYQJAHWSA-N 330.409 4.663 0 50 EJAA CCC1(CC)Cc2cc(OC)c(OC)cc2C(c2ccc(C)cc2)=N1 443243 VWLLYVQTHRFNKD-UHFFFAOYSA-N 337.463 4.965 0 50 EJAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)O)c1-c1ccccc1 3141005 PWMOTALJMIIQED-UHFFFAOYSA-N 337.400 4.674 0 50 EJAA CC(C)c1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1 5242111 AJIZRAPZOUEJOO-UHFFFAOYSA-N 343.434 4.527 0 50 EJAA CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nccs1 12137766 UOZQFPAZRFUMFA-KRWDZBQOSA-N 338.432 4.606 0 50 EJAA COc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2F)cc1 13496771 HWDYHNAXMYYVSD-UHFFFAOYSA-N 344.333 4.662 0 50 EJAA Cc1sc(C(=O)N(C)c2cccnc2)cc1-c1ccc(F)cc1 170029153 JOCGZJIEDIGWAQ-UHFFFAOYSA-N 326.396 4.534 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@@]12C 257346168 SYTVBUBBHFDVIK-WPGPQETBSA-N 332.484 4.530 0 50 EJAA Cc1ccc2nc([C@@H]3CCCN3c3ncnc4scc(C)c34)[nH]c2c1 665706150 ZQZQMBLBTYWOIZ-HNNXBMFYSA-N 349.463 4.526 0 50 EJAA Cc1cc([S@@](=O)Cc2cccc3ccccc23)ncc1C(F)(F)F 1875322671 ADFIRZPMGADYTC-DEOSSOPVSA-N 349.377 4.870 0 50 EJAA C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 116577 CAVMUFAKBUMLGK-KRWDZBQOSA-N 331.415 4.610 0 50 EJAA S=C(Sc1cc(Cl)nnc1-c1ccccc1)N1CCCCC1 332092 LMWHCBNLRCOVGT-UHFFFAOYSA-N 349.912 4.660 0 50 EJAA O=C(Nc1ccc(Br)cc1)Oc1ccc(Cl)cc1 396636 SRHHTNINJINTEO-UHFFFAOYSA-N 326.577 4.713 0 50 EJAA COc1ccc(OC)c(NC(=O)Oc2cccc(Cl)c2Cl)c1 398372 UBHISJBDXAEKEF-UHFFFAOYSA-N 342.178 4.622 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1C 471777 DTJNOIAPVQQAJS-INIZCTEOSA-N 348.240 4.554 0 50 EJAA O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 476099 YYPOHIQOTXBBFB-UHFFFAOYSA-N 333.406 4.778 0 50 EJAA CCOc1cc(C=O)ccc1OCCOc1cc(C)ccc1C(C)C 2866683 CFDIRIMSLCWCFX-UHFFFAOYSA-N 342.435 4.787 0 50 EJAA CN1[C@H](CC(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C 3957435 AUSGKSYHQUASAZ-GOSISDBHSA-N 342.870 4.676 0 50 EJAA CC(=O)c1ccc(N2CCN(CCCCCCC=C(C)C)CC2)cc1 4980596 QXCHSONHRIYPBT-UHFFFAOYSA-N 342.527 4.928 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 5227770 BQNVVPPVBZECMC-JNNGEFEOSA-N 332.484 4.530 0 50 EJAA Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)s1 15010432 BZPUBTUEPBKQRE-JYRVWZFOSA-N 335.837 4.951 0 50 EJAA Clc1ccccc1-c1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)o1 42451727 GSOXDERMLYWHIP-CQSZACIVSA-N 341.842 4.703 0 50 EJAA Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccco3)[nH]n2)cc1 97578454 YBEANHCNBLKQIL-IBGZPJMESA-N 349.434 4.736 0 50 EJAA COc1ccc([C@@H]2C[C@@]23CC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 245256632 SCWGCMYYEYQDTI-BAMDZGJYSA-N 348.442 4.714 0 50 EJAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ccc(C(=O)O)cc1 263571879 KAPAFTKZXYALRS-ZIAGYGMSSA-N 331.843 4.662 0 50 EJAA C[C@H](NC[C@@H](O)c1cccc2ccccc12)c1ccc(C(F)F)nc1 850517337 SDTPLFARLZJTQM-ORAYPTAESA-N 342.389 4.557 0 50 EJAA Cc1noc(C(C)C)c1NC(=O)N1CCCC[C@@H]1c1ccccc1 932844600 IQHYKPQWKHQNQA-MRXNPFEDSA-N 327.428 4.866 0 50 EJAA Cc1cc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1 184481 XYUHDXQEGOIYTR-UHFFFAOYSA-N 328.721 4.623 0 50 EJAA O=C1O[C@H](c2ccccc2)C2(CCCCC2)C(=O)C12CCCCC2 450914 NYAMEJNMRAEZKM-QGZVFWFLSA-N 326.436 4.755 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1F 451768 YMVOIPRVJHVHDF-MRVPVSSYSA-N 346.160 4.678 0 50 EJAA Cc1ccc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2c1 456980 BQOLEUUKHOXNSU-VQHVLOKHSA-N 328.824 4.910 0 50 EJAA CN(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)cc1 458727 QLISHXSSZNUPKS-NHCUHLMSSA-N 349.474 4.869 0 50 EJAA COc1cc(NC(=O)c2ccc(C(C)C)cc2)c(OC)cc1Cl 476421 DSGLMQAZURVPEV-UHFFFAOYSA-N 333.815 4.733 0 50 EJAA Cc1cc(Nc2ccccc2O)c2cc(Br)ccc2n1 620041 SJQLYCBNSCYSIT-UHFFFAOYSA-N 329.197 4.755 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@H]21 2008393 YCBKSSAWEUDACY-DLBZAZTESA-N 330.468 4.708 0 50 EJAA biogenic,world COc1ccccc1OCCOc1c(C)cc(Cl)cc1Cl 2985622 GJSYSKPBYOAGRH-UHFFFAOYSA-N 327.207 4.768 0 50 EJAA CC[C@H](C)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 6698270 YELSBTGBKLWILH-KRWDZBQOSA-N 337.467 4.554 0 50 EJAA CC(C)c1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1 35511336 DIDUERXIUZMWTK-OAHLLOKOSA-N 333.819 4.820 0 50 EJAA Clc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 39408730 VHWZMUZKFCGALN-UXHICEINSA-N 332.919 4.569 0 50 EJAA CCC(CC)n1nc(C)cc1NC(=O)Cc1ccc(F)cc1Cl 55182991 FCYKDMPCIOPYTO-UHFFFAOYSA-N 337.826 4.526 0 50 EJAA Cc1nc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)sc1C 892341212 UAJXAQJDCGTNSZ-UHFFFAOYSA-N 325.437 4.904 0 50 EJAA CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 303795 APIBMRJNLDPZMW-UHFFFAOYSA-N 348.240 4.590 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 451116 PGSXFFZTHCPQED-LBPRGKRZSA-N 346.883 4.980 0 50 EJAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCCCC1 528678 TTYZHSPUXIGDRI-UHFFFAOYSA-N 330.431 4.836 0 50 EJAA Cc1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 1206412 AEKRRLQWZIASHN-UHFFFAOYSA-N 340.448 4.892 0 50 EJAA COc1cc2c(cc1NC(=O)c1ccc(F)cc1)oc1ccccc12 3567024 PBJNPDMPIRXSCI-UHFFFAOYSA-N 335.334 4.986 0 50 EJAA Cc1nn(C(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1Cl 4646406 LFMHOXQKIDDLKC-GQCTYLIASA-N 329.614 4.814 0 50 EJAA O=C(CCc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 8516560 SGTSHSCEPZFFOW-UHFFFAOYSA-N 346.474 4.582 0 50 EJAA CCCN(C(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccc(F)cc1 8597089 SOANQWKEKOCXSS-UHFFFAOYSA-N 347.393 4.912 0 50 EJAA CSc1cccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1 12571154 JYBAZRABEHGDJE-HNNXBMFYSA-N 337.492 4.753 0 50 EJAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccccc3)c2C)cc1 13331663 HVAYTINOOHQCOC-UHFFFAOYSA-N 334.423 4.501 0 50 EJAA Cc1cc(NC2CCCCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798826 FIDPQAQJWQQZFF-UHFFFAOYSA-N 338.430 4.897 0 50 EJAA C[C@@H](c1ccco1)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65490406 JYRLPMLOOUYKEQ-AWEZNQCLSA-N 334.375 4.505 0 50 EJAA CN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1cccc(O)c1 65500577 BUWYUCFPEQGLEV-UHFFFAOYSA-N 349.478 4.511 0 50 EJAA CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)c1 71759482 KHXCJWZSFPNABW-IBGZPJMESA-N 338.495 4.728 0 50 EJAA COC(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1F 97756974 CUTMEXRYXDTFEY-UHFFFAOYSA-N 336.362 4.858 0 50 EJAA Cc1c(CO)[nH]c2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)cc12 426395431 UIWATGMSQYAJAO-INIZCTEOSA-N 334.463 4.792 0 50 EJAA O=C(O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12 6967 RGUIKQRAZCQMBM-UHFFFAOYSA-N 332.281 4.695 0 50 EJAA COc1c(C)cccc1C(=O)Nc1cccc(Cl)c1N1CCCC1 1070413 VOOKONIRSMZBRC-UHFFFAOYSA-N 344.842 4.510 0 50 EJAA CC1(C)C[C@H](CNCC[C@@H](c2ccccc2)c2ccco2)CCO1 2139700 YLIFUTNQCPIQQY-MJGOQNOKSA-N 327.468 4.596 0 50 EJAA biogenic C[C@H]1CCCN(CCOc2ccc3ccccc3c2Br)C1 4914380 AIMUFYVOHLVFCJ-AWEZNQCLSA-N 348.284 4.713 0 50 EJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(C)C)cc1 5673452 MVCYJMNPXVHRCD-PZJWPPBQSA-N 336.435 4.611 0 50 EJAA Cc1ccc2c(c1)CN(Cc1ccccn1)C[C@H](c1ccsc1)O2 11913131 JXGKIVFZUUYPHL-HXUWFJFHSA-N 336.460 4.587 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1C 33270603 UBGRRISFRUHQPO-INIZCTEOSA-N 327.428 4.531 0 50 EJAA COCC1(N(C)C(=O)c2cccc(-c3cccc(Cl)c3C)c2)CC1 426661419 ZAPXXECAXKCSSB-UHFFFAOYSA-N 343.854 4.566 0 50 EJAA O=C(c1cc2c(C3CC3)cccc2[nH]1)N1CC=C(c2ccccc2)C1 1875279420 DAXNDYUDNGLNSZ-UHFFFAOYSA-N 328.415 4.585 0 50 EJAA Fc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1 1911936318 DUROVTLUQOYUPH-UHFFFAOYSA-N 335.169 4.728 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](CC(C)C)c1ccccc1 2325841566 AANRYMNKLDOUFZ-KNQAVFIVSA-N 325.496 4.523 0 50 EJAA O=C(O)c1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1 271678 GDLSIECCSXFBEI-UHFFFAOYSA-N 332.331 4.530 0 50 EJAA Cc1cc(C(=O)O)c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 314025 AENNJGKKSJTFSB-UHFFFAOYSA-N 337.400 4.674 0 50 EJAA Cc1csc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 2989304 SQZZUZKMUYMGDH-UHFFFAOYSA-N 345.251 4.556 0 50 EJAA CCCOc1cccc(-c2nnc(NC(=O)C3CCCCC3)s2)c1 5013443 QIYHOZIVRQANKP-UHFFFAOYSA-N 345.468 4.513 0 50 EJAA CCOc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCCC[C@@H]12 16651712 RLKQCEGHUWDABO-RYGJVYDSSA-N 327.399 4.859 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc(C)o3)C2)c1 19841530 XNNNROUADFVMMT-SFHVURJKSA-N 335.451 4.666 0 50 EJAA CC(C)=CC[C@]1(CO)CCCN(Cc2[nH]c3ccc(F)cc3c2C)C1 91534941 VFIVNUFVUBOTNW-OAQYLSRUSA-N 344.474 4.546 0 50 EJAA Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@@H]3c3ccccc3)c2c1 95529256 OFTBZBFGGIGCGF-HXUWFJFHSA-N 330.431 4.747 0 50 EJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc3ccccc3c12 407466 IJGUHKAUDXFEDT-UHFFFAOYSA-N 343.382 4.500 0 50 EJAA Cc1cc(Br)c(NC(=O)CCc2ccccc2)cc1C 460648 NWVCHPUWAGGLMZ-UHFFFAOYSA-N 332.241 4.637 0 50 EJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 471999 JAEIQAVKRDKOJU-UHFFFAOYSA-N 342.782 4.687 0 50 EJAA Cc1ccnc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1 543610 ZDXFIULTOTWEBN-UHFFFAOYSA-N 347.809 4.792 0 50 EJAA CC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccccc1 2983402 TXHNVTOGOZAUQR-HXUWFJFHSA-N 347.443 4.676 0 50 EJAA Cc1cc(NC(=O)C(C)C)cc(-c2nc3ccccc3s2)c1O 4988494 YZNUFDKNZSWSQS-UHFFFAOYSA-N 326.421 4.572 0 50 EJAA CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(C1CCC1)CCO2 15005754 FZODQJUXLSVGRQ-QFIPXVFZSA-N 337.463 4.559 0 50 EJAA Cc1n[nH]c(C)c1CCCn1cnc(-c2ccccc2)c1-c1ccoc1 67790647 MVDHUSNJBYJDIY-UHFFFAOYSA-N 346.434 4.783 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32C=C(O)CCC2)cc1 100671115 PCKAMFUEEURWNF-RBBKRZOGSA-N 346.430 4.861 0 50 EJAA CCNC(=S)Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1 214081086 PZOPPFBKDUHTQX-UHFFFAOYSA-N 346.459 4.689 0 50 EJAA CC(=O)c1ccc2c(c1)CN(c1ccc(C(C)=O)c(C(F)(F)F)c1)C2 894192345 LDMOUISXMVOIHY-UHFFFAOYSA-N 347.336 4.631 0 50 EJAA CC(C)(C)c1n[nH]c(-c2cc(-c3ccccc3)nc3ccccc23)n1 1875318121 NBIKSUGCXPCNCN-UHFFFAOYSA-N 328.419 4.984 0 50 EJAA Cc1ccc(-c2cc(C(C)C)nn2-c2ccc(C(=O)O)cc2F)cc1 2325817810 ZMULLPJKNJYKLT-UHFFFAOYSA-N 338.382 4.808 0 50 EJAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 75493 YGELMAGAUGHTDT-QAPCUYQASA-N 332.403 4.872 0 50 EJAA CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C(C)=O)c1 144057 OJEUORYJUCFRNU-UHFFFAOYSA-N 348.402 4.666 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 442952 QQIPOUWAVIMCDF-UHFFFAOYSA-N 327.733 4.930 0 50 EJAA CC1(C(=O)Nc2ccc(NC(=O)C3(C)CCCC3)cc2)CCCC1 449162 LPULDVULKZXBIG-UHFFFAOYSA-N 328.456 4.724 0 50 EJAA CC1=CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cccc1c32 2351083 JJHBQZSWUFVJEU-HXUWFJFHSA-N 334.444 4.599 0 50 EJAA CCc1cc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2cc1O 3885769 XZTZOZVNABCBRE-UHFFFAOYSA-N 332.758 4.829 0 50 EJAA COc1cccc(CCC(=O)Nc2ccc(Cl)cc2C)c1Cl 4542835 MTZLVZZCRUFPBM-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA Cc1ccc2cc(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)[nH]c2c1 170634443 DGNZUULCKOTSNO-WMZOPIPTSA-N 332.447 4.803 0 50 EJAA O=C(c1cncc(F)c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 177640272 JPSDCQGTXZCGDZ-OAHLLOKOSA-N 339.197 4.505 0 50 EJAA CC1=C(O)[C@@H]2C=CC=C[C@@H]2[C@@](O)(c2ccccc2)[C@@H]1c1ccccc1 216277992 ZCHJZBGEFBTBLF-FBPBVXOASA-N 330.427 4.862 0 50 EJAA Cc1ccc(-c2cccc(CNc3nnc(C(F)(F)F)o3)c2)cc1 225568278 BJAVHVWUWJXRGN-UHFFFAOYSA-N 333.313 4.676 0 50 EJAA C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(C1CCCC1)[C@H](C)c1ccccc1 328595360 SEDNSHWZWNUFOC-QINHECLXSA-N 327.468 4.524 0 50 EJAA CC[C@H]1C[C@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 465293883 GSOUIAAFSLOBMU-JSGCOSHPSA-N 348.899 4.653 0 50 EJAA CC(C)(C)c1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 136011 XYIPOKICMMPCAH-JLHYYAGUSA-N 346.474 4.838 0 50 EJAA CCc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)O)c2c1 2525956 IMINASBSUILLJG-UHFFFAOYSA-N 335.403 4.950 0 50 EJAA O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 6702123 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0 50 EJAA C[C@H](O)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 1926803 YEFHJBMRKNPZCT-AWEZNQCLSA-N 344.842 4.602 0 50 EJAA CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1 2558643 GAMRBCZMOOMBSQ-CCEZHUSRSA-N 337.419 4.769 0 50 EJAA in-vitro COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 5526418 QCBFRCIISUTMBF-UHFFFAOYSA-N 347.201 4.633 0 50 EJAA CC(C)(C)c1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 28291083 MDCMFNJMXVTLID-UHFFFAOYSA-N 334.419 4.819 0 50 EJAA Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)cc1 35561807 FICVGOQGHBTNEF-FQEVSTJZSA-N 340.442 4.961 0 50 EJAA Cc1cccc(CN(C(=O)C2(c3ccccc3F)CC2)C(C)C)c1 65394242 GWHWRCZIQRBABL-UHFFFAOYSA-N 325.427 4.603 0 50 EJAA CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)/C=C(/C)O)cc1 254556008 WOMYTDHDLVSICM-YQHUXDMQSA-N 348.446 4.971 0 50 EJAA COCCC1(CN[C@H](C)c2ccc(Oc3ccccc3)cn2)CCC1 453131115 GFRBQGATIUPWNR-QGZVFWFLSA-N 340.467 4.731 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(F)n1 1352423515 LXSLGIQOLSZCOT-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA Cc1ccccc1[C@@H](CC(C)C)NC[C@H](CO)Cc1ccc(F)cc1 2325842017 LVOHASNQGNURIX-DENIHFKCSA-N 343.486 4.662 0 50 EJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1 105933 MTSBQELQHVXFMT-UHFFFAOYSA-N 346.411 4.921 0 50 EJAA Cc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1Br 357379 YTTICSSBNPHWSK-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1 1064731 QEOUCCFXGFECGP-UHFFFAOYSA-N 327.387 4.584 0 50 EJAA COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 1397579 DFDYMDVBOAHPOF-HNNXBMFYSA-N 337.202 4.523 0 50 EJAA O=C(Nc1cccc2ccccc12)OC[C@@H]1CCCN2CCCC[C@H]12 4174610 UJVSSKXGVRAIHG-FXAWDEMLSA-N 338.451 4.653 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)OCCCc1ccncc1 8642579 RESRDRNTMCLTHH-UHFFFAOYSA-N 325.195 4.570 0 50 EJAA CC[C@H](NC(=O)Nc1ccccc1Br)c1ccccc1 13745340 IDXADNKVHFJNPD-AWEZNQCLSA-N 333.229 4.722 0 50 EJAA c1ccc(-c2ncn(Cc3cccc4[nH]ccc34)c2[C@H]2CCOC2)cc1 67491086 CUELVOUZLNTZAR-SFHVURJKSA-N 343.430 4.584 0 50 EJAA CSc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 71767165 BZMSVJSCYVEWBD-SFTDATJTSA-N 335.472 4.843 0 50 EJAA c1ccc2c3c([nH]c2c1)CCN(Cc1ccc([C@H]2CCCCO2)o1)C3 77300523 RWSGQCXTWFCRFO-HXUWFJFHSA-N 336.435 4.561 0 50 EJAA CC[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccc(C)cn1 299778822 HSHQGSPPOCOHOK-QGZVFWFLSA-N 330.859 4.634 0 50 EJAA C[C@@H]1CC(=O)CC[C@H]1C(=O)N(C1CCCC1)[C@H](C)c1ccccc1 328595359 SEDNSHWZWNUFOC-JXXFODFXSA-N 327.468 4.524 0 50 EJAA CCc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 1775971414 QGRZOPQJKIOOBD-UHFFFAOYSA-N 344.263 4.665 0 50 EJAA CCC[C@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 117330 OKCNOPGSYDQNKV-VIFPVBQESA-N 341.238 4.875 0 50 EJAA O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1 124910 OBCGCWMCABAZPU-UHFFFAOYSA-N 335.790 4.823 0 50 EJAA O=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 212637 SVLPTSFNXDYPJY-UHFFFAOYSA-N 327.733 4.930 0 50 EJAA CC[C@H](C)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 859748 JPKOIPRXKQNLGP-AWEZNQCLSA-N 331.481 4.926 0 50 EJAA CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 4320231 DCVJWVCDQNLFAZ-SJORKVTESA-N 347.462 4.603 0 50 EJAA COc1cccc([C@@H]2CC(=O)Nc3c2ccc(C)c3C)c1OC(C)C 4488804 JZYMJWHCXFDLQM-QGZVFWFLSA-N 339.435 4.573 0 50 EJAA Cc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)o1 12308406 UGZQFTUOWSHBHX-SFHVURJKSA-N 337.423 4.674 0 50 EJAA Cc1ccc(NC(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1F 13320293 TZKMLWGQEKPVTE-UHFFFAOYSA-N 330.447 4.862 0 50 EJAA CC(C)(C)C1CCC(c2nn3c(=O)c4ccccc4nc3s2)CC1 17071458 TUIOEYBBAWECSG-UHFFFAOYSA-N 341.480 4.624 0 50 EJAA CCC1(CNC2CCN(c3cccc(-c4cscn4)c3)CC2)CC1 48212301 LNIMVSGLVDTXGS-UHFFFAOYSA-N 341.524 4.559 0 50 EJAA C/C(=C\c1ccccc1)CNCC1CCN(Cc2ccccc2)CC1 588178541 ZKNGLVYUSZMCPL-CAPFRKAQSA-N 334.507 4.592 0 50 EJAA Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2s1 62767 YFEYJQJTSVQITG-UHFFFAOYSA-N 348.880 4.989 0 50 EJAA CC(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 317173 XBPWMECPEYUZNP-UHFFFAOYSA-N 330.815 4.577 0 50 EJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(C)c(C)c1 370781 DWLIEVPOABZEMS-UHFFFAOYSA-N 331.437 4.527 0 50 EJAA COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1Cl 452494 RBQHNOZPVPXVAL-UHFFFAOYSA-N 342.247 4.733 0 50 EJAA CC(=O)Nc1cccc(-c2csc(Nc3ccc(O)cc3C)n2)c1 612802 OPVCHAVLDICHNI-UHFFFAOYSA-N 339.420 4.526 0 50 EJAA CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21 1717860 HICFFJZGXWEIHN-UHFFFAOYSA-N 334.872 4.600 0 50 EJAA world O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)on1 3907703 KLAXTCOUGRXRBI-UHFFFAOYSA-N 334.709 4.526 0 50 EJAA CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 4320230 DCVJWVCDQNLFAZ-DLBZAZTESA-N 347.462 4.603 0 50 EJAA COc1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1 5045831 AAKWSWPHVXXYQL-UHFFFAOYSA-N 342.398 4.925 0 50 EJAA CSc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1 6408419 XEDBOPLMBJANIM-UHFFFAOYSA-N 349.381 4.983 0 50 EJAA O=C(Nc1ccccc1Cl)N1CCC[C@@H](Nc2cccc(F)c2)C1 12710349 XKMZXLZKSJBFQP-OAHLLOKOSA-N 347.821 4.588 0 50 EJAA Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccsc1 170619391 BPKUTERCGLAPGZ-QGZVFWFLSA-N 336.416 4.641 0 50 EJAA Cc1nc(-c2ccccn2)sc1-c1ccnn1-c1ccc(F)cc1 221546151 SWPGPZCLILWPID-UHFFFAOYSA-N 336.395 4.505 0 50 EJAA C[C@H](N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(-n2ccnc2)c1 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EJAA Cc1ccsc1CN(C)Cc1ccc(CN2CCCCC2)s1 1506420358 DSQZBCDVVATJRC-UHFFFAOYSA-N 334.554 4.736 0 50 EJAA Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)o1 355995 KJIWTLAOTWAOSK-CMDGGOBGSA-N 338.432 4.980 0 50 EJAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1 556310 UUPKCTRRHUYUKK-UHFFFAOYSA-N 328.843 4.578 0 50 EJAA O=C(COC(=O)c1cccs1)c1ccc(C2CCCCC2)cc1 2595055 JMKAFVGYQGYJGA-UHFFFAOYSA-N 328.433 4.836 0 50 EJAA Brc1c(OCCN2CCCCCC2)ccc2ccccc12 4978511 HJAPQGKYFSBSHZ-UHFFFAOYSA-N 348.284 4.857 0 50 EJAA CC(=O)c1ccc(NC(=S)NC2CCC(C(C)(C)C)CC2)cc1 6511345 AZAIYCVAXSBULM-UHFFFAOYSA-N 332.513 4.781 0 50 EJAA CCc1nnc(CN[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)o1 181239260 YSVNNEQARGQWAP-DENIHFKCSA-N 347.462 4.583 0 50 EJAA CC(=O)Nc1ccc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)cc1 182189566 PKDMKXVEOZTLDB-LBPRGKRZSA-N 335.407 4.837 0 50 EJAA Cc1nc(C)c(C(=O)Nc2c(C(C)C)c(C)nc3ccccc23)s1 191958133 JAUWYHIPEBQQHY-UHFFFAOYSA-N 339.464 4.992 0 50 EJAA Cc1cc(SC(C)(C)C)ccc1NC(=O)/C=C/c1cncs1 2325748877 FHLADVXUBTXMIM-SOFGYWHQSA-N 332.494 4.994 0 50 EJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc(F)c1 175995 ABAQMLXCROLYOS-UHFFFAOYSA-N 348.333 4.592 0 50 EJAA CCOc1ccc(-c2csc([C@@H]3COc4ccccc4O3)n2)cc1 209329 ZJRXUUQCZBMFLC-SFHVURJKSA-N 339.416 4.721 0 50 EJAA Cc1ccc([C@@H](CC(=O)NC2CCCCC2)c2ccccc2)c(O)c1 285587 HLFKTUFUIIWQQN-FQEVSTJZSA-N 337.463 4.672 0 50 EJAA COc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1 348621 LWYPYTJNIOQAJR-UHFFFAOYSA-N 349.253 4.626 0 50 EJAA CN(C)CCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 19636558 WAGXZLCRUSCTIW-UHFFFAOYSA-N 337.294 4.557 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nn1-c1ccccc1 25762420 GWBLAHGDKRFPEE-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA Cc1cc(CN2CCCC2)cc(Oc2ccc(-c3ccccc3)nn2)c1 67804624 RMFWDUCBQKIKDJ-UHFFFAOYSA-N 345.446 4.840 0 50 EJAA Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@H](C)CC[C@@H]1C(C)C 170630090 WTUOMKNZIGCFKE-RHSMWYFYSA-N 334.508 4.759 0 50 EJAA CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)CC1=O 257345750 IBJSQLOPRJPKPB-IIJALIKYSA-N 332.484 4.530 0 50 EJAA COc1cccc(Nc2ccc(NC(=O)[C@@H]3CCCSC3)cc2)c1 862585167 BEBVPVFERLFGOH-CQSZACIVSA-N 342.464 4.521 0 50 EJAA Cc1ccc(-c2nc(-c3coc(C4CCC4)n3)no2)c2ncccc12 904136909 QPRYCXWDSKHGQT-UHFFFAOYSA-N 332.363 4.516 0 50 EJAA C[C@@H](O)[C@@H](NCc1ccc(-c2cccc(F)c2)s1)c1ccccc1 1461666096 COYAPNHGRIXDRI-JLTOFOAXSA-N 341.451 4.766 0 50 EJAA O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)N1CCC2(CCC2)C1 1686473380 HVVLUCZZVTUUOR-OALUTQOASA-N 326.484 4.546 0 50 EJAA Cc1nnc(Cl)c(-c2ccc(Cl)cc2F)c1-c1ccncc1 1875389930 QCOWGFORKQKBSI-UHFFFAOYSA-N 334.181 4.960 0 50 EJAA CC(C)(CNc1ccc2c(Cl)ccnc2c1F)c1cccnc1 2325823067 DGJPHALZEZNXIK-UHFFFAOYSA-N 329.806 4.812 0 50 EJAA O=C1C[C@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)CCC3 94978 GFHPLRXJCHBZRY-CQSZACIVSA-N 331.337 4.668 0 50 EJAA COc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 144533 BPUGCWYBSXPHBF-RUDMXATFSA-N 344.823 4.610 0 50 EJAA CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CCCC2 179209 NIHSGZSXMACJMI-UHFFFAOYSA-N 342.464 4.536 0 50 EJAA Cc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1C 2924613 SHRQKOUONFDGQF-QGZVFWFLSA-N 334.246 4.758 0 50 EJAA O=C(Nc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4321829 QBJMRSCAECWAKC-UHFFFAOYSA-N 334.257 4.604 0 50 EJAA FC(F)(F)c1ccccc1CN1CCC(N2CCCCCC2)CC1 4703439 YMRQKKZQDMOHPP-UHFFFAOYSA-N 340.433 4.546 0 50 EJAA Sc1nnc(CSCc2ccccc2Cl)n1-c1ccccc1 5687919 HVANVFGWLJJBBD-UHFFFAOYSA-N 347.896 4.643 0 50 EJAA CCOc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1 19536407 YPOPWNSAWBPGOR-UHFFFAOYSA-N 346.474 4.561 0 50 EJAA COc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccccc2)cc1F 139473144 ZVXSJJKFADFXEP-HNNXBMFYSA-N 349.405 4.992 0 50 EJAA Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(-c3ccccc3)on2)cc1 171338271 AGALMVGEDNQROF-MRXNPFEDSA-N 349.434 4.553 0 50 EJAA CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3OCc3ccccc3)[C@H]1[C@@H]2C 239038732 DUWXMXJIRAGQTJ-PXJUVCBJSA-N 348.486 5.801 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257345835 KLFLXXSXHKVJTP-BXCFIBNVSA-N 332.484 4.530 0 50 EJAA CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc3ncsc3c2)c1 481280888 IZMSDZGJOYJISM-CYBMUJFWSA-N 340.448 4.575 0 50 EJAA C[C@H](N[C@@H](c1ccncc1)C1CC1)c1ccc(-c2ccccc2)cn1 898320331 LFVYLAZPHLWMFE-KSFYIVLOSA-N 329.447 4.946 0 50 EJAA C[C@@H](NCc1cccc(Cn2cccn2)c1)c1csc2ccccc12 2325878549 UGIVFYJQCLPRPU-MRXNPFEDSA-N 347.487 4.997 0 50 EJAA COc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1OC 440479 DWQFBRAINNIKKW-UHFFFAOYSA-N 333.387 4.623 0 50 EJAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccco4)c3)nc2c1 471108 LFCQRPCJBWLTAJ-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1Cl 501670 RSONJCLDIGXCLC-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1Cl 554541 IBVFZYNARZAJSE-UHFFFAOYSA-N 330.693 4.883 0 50 EJAA O=C(OCc1ccc(Cl)cc1Cl)c1ccc(-n2cccn2)cc1 1432523 UOVOZNOGASZDPT-UHFFFAOYSA-N 347.201 4.536 0 50 EJAA CCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 3959418 VEPMSKVPKRLFBA-DHZHZOJOSA-N 343.810 4.559 0 50 EJAA Fc1cccc([C@@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 12241918 IJBVUHKVGPLGNL-KRWDZBQOSA-N 339.439 4.793 0 50 EJAA Cc1ccc(-c2nnc(NC(=O)Nc3ccccc3C)s2)cc1C 13570261 QEOAWRALPFELRE-UHFFFAOYSA-N 338.436 4.774 0 50 EJAA C1=CC[C@@H](CN2CCN(C3CCC(c4ccccc4)CC3)CC2)CC1 19362929 BNMBNFNEQOPLIN-RDABAPPSSA-N 338.539 4.687 0 50 EJAA C[C@H]1CCN(C(=O)Nc2ccncc2)[C@@H]1c1ccc(C(F)(F)F)cc1 118974734 AHCMTPMHPUREBV-LRDDRELGSA-N 349.356 4.715 0 50 EJAA CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@@H](O)CO 209935090 CGIHFIDULQUVJG-FYQPLNBISA-N 330.553 4.530 0 50 EJAA CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)CC1=O 254449845 IBJSQLOPRJPKPB-JXVIKTFJSA-N 332.484 4.530 0 50 EJAA C[C@H](Nc1ncnc2cc(F)c(F)cc12)c1ccc(F)c(Cl)c1 462786665 ZYWVNACCAUZBMB-QMMMGPOBSA-N 337.732 4.874 0 50 EJAA Clc1cccc(-c2nc(CSCCCn3ccnc3)co2)c1 2325760017 HQPIJWAFBSKCHM-UHFFFAOYSA-N 333.844 4.515 0 50 EJAA CCc1cccc(N(C)C(=O)c2cc3cc(Cl)ccc3n2C)c1 2325827660 MILZEMKJRUDSRY-UHFFFAOYSA-N 326.827 4.671 0 50 EJAA O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cccnc1 312318 UEYDVDUXSSZWGB-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F 441613 KKVNSZJYFHCKQN-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 446521 XVCJFXGMERSZJT-UHFFFAOYSA-N 342.420 4.580 0 50 EJAA CCCCOc1ccccc1NC(=O)c1ccc(Br)cc1 1777418 APMKDYODDXASKM-UHFFFAOYSA-N 348.240 4.880 0 50 EJAA O=C(c1ccnc2ccccc12)N1CCCC[C@@H]1c1ccc(F)cc1 77457785 LPQFNVBWCZSMOK-HXUWFJFHSA-N 334.394 4.741 0 50 EJAA FC(F)(F)CCOc1cc(Br)ccc1C(F)(F)F 169725686 UUOPOYXSMHHQLO-UHFFFAOYSA-N 337.057 4.799 0 50 EJAA O=C(Cc1ccccc1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 169773702 FRJGFIDRAWNURC-KRWDZBQOSA-N 338.838 4.558 0 50 EJAA CCCC1(CN[C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 252481535 CNQAWBFFHDTOSZ-GOSISDBHSA-N 344.499 4.600 0 50 EJAA Cc1nc2cc(NC(=O)N3CC4(CCC4)[C@H]3c3ccccc3)ccc2o1 292563516 BWVAMOUXKRMQJQ-LJQANCHMSA-N 347.418 4.895 0 50 EJAA CC(C)[C@@H](C(=O)Nc1ccccc1CN1CCCC1)c1ccccc1 820709849 XBHQELLRPBKDRW-OAQYLSRUSA-N 336.479 4.661 0 50 EJAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc2cccnc12 443018 RAIFXIFGIQZZFC-MDZDMXLPSA-N 342.320 4.906 0 50 EJAA CC(C)Oc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 613445 NVYJZZAJSORIRL-UHFFFAOYSA-N 337.463 4.602 0 50 EJAA O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1Cl 619366 PVGOCGWMAYFRFN-UHFFFAOYSA-N 328.843 4.973 0 50 EJAA CCc1onc(C)c1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1 373931803 XGCFWCIMSQCYQH-UHFFFAOYSA-N 345.830 4.520 0 50 EJAA COc1ccc(COc2ccc(Cl)cc2Br)cc1 1652472164 GHIRWOZYMHJIBJ-UHFFFAOYSA-N 327.605 4.690 0 50 EJAA Cc1cc(Cl)ccc1OC(=O)c1ccccc1Br 122476 URTRVGIGKAHUKN-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA CC[C@@H](NC(=O)/C=C/c1cccc(Br)c1)c1ccccc1 234841 KAGUXXOCVZACDL-FMQWLBJXSA-N 344.252 4.730 0 50 EJAA Cc1c(Cl)cccc1NC(=S)NCc1ccc(Cl)cc1 305239 GHQADMPWIHAVNK-UHFFFAOYSA-N 325.264 4.788 0 50 EJAA O=C(O)Cn1c(SCc2cccc3ccccc23)nc2ccccc21 322387 PDCVEMGVSSMLEN-UHFFFAOYSA-N 348.427 4.566 0 50 EJAA Cc1nc2c(C)cccc2c2c1C[C@@H]([C@@](C)(Cl)Br)O2 435930 LLWGIJULDDXRNP-SWLSCSKDSA-N 340.648 4.505 0 50 EJAA Cc1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1C 1299033 KRQZLHGAOAIWOA-UHFFFAOYSA-N 342.399 4.605 0 50 EJAA CCCCN(C)C(=O)Nc1ccc(C)c(NC(=O)N(C)CCCC)c1 2166582 VTDCNQBWWFSBJX-UHFFFAOYSA-N 348.491 4.523 0 50 EJAA C[C@H](Nc1nncc(-c2cccc(Cl)c2)n1)c1ccc(F)cc1 20854346 JEQFHOLWFVDMLA-NSHDSACASA-N 328.778 4.504 0 50 EJAA CC1(C)C[C@H](NC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2O1 194308504 XZCULUMOGVLYGB-KRWDZBQOSA-N 335.407 4.592 0 50 EJAA COc1cc2ccccc2cc1-c1nc([C@H]2CCC(F)(F)C2)no1 1875291421 YGENVHDLLNSAFA-ZDUSSCGKSA-N 330.334 4.801 0 50 EJAA COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 45131 VEZGPUBJXQODRV-MDWZMJQESA-N 339.435 4.653 0 50 EJAA O=C(NCc1ccco1)c1ccccc1SCc1ccc(F)cc1 133993 AGOFIODJBUWSDL-UHFFFAOYSA-N 341.407 4.641 0 50 EJAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1 462271 HFCLIXSAFBZPCV-UHFFFAOYSA-N 337.341 4.648 0 50 EJAA O=C(Nc1ccccc1F)c1cc(-c2ccco2)nc2ccccc12 483320 GOTAWSOQLQCBLC-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 860244 UASZHSKJMLAUBY-UHFFFAOYSA-N 344.414 4.954 0 50 EJAA C[C@H]1CC(C)(C)N(C(=S)Nc2ccccc2)N1c1ccccc1 2495380 XQVIBMGKKZSFPC-HNNXBMFYSA-N 325.481 4.678 0 50 EJAA O=C(c1ccco1)c1cn(CCCOc2ccccc2)c2ccccc12 2866370 WPHLPZFBGMPSPO-UHFFFAOYSA-N 345.398 4.934 0 50 EJAA COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccccc3)C[C@H]21 3904761 LSXYGERBKOCNMW-LJQANCHMSA-N 348.446 4.899 0 50 EJAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2 4196663 BDYBTLRXRLGKFQ-UHFFFAOYSA-N 331.327 4.567 0 50 EJAA aggregator Oc1cccc(-c2cc([C@@H]3CCN(Cc4ccsc4)C3)ccn2)c1 65404599 QKFWXWWISTWKHD-GOSISDBHSA-N 336.460 4.505 0 50 EJAA Fc1ccc(-c2cc(CNc3nccc(C4CCCC4)n3)no2)cc1 71759645 JWRZPLDJECYWMU-UHFFFAOYSA-N 338.386 4.540 0 50 EJAA Cc1oc(C(C)C)cc1C(=O)N(C)Cc1cc(-c2ccccc2)no1 72436169 UTNISUJFRXFRLQ-UHFFFAOYSA-N 338.407 4.639 0 50 EJAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)c1 77425806 UGKWCFWNBZPQBH-NRFANRHFSA-N 346.430 4.611 0 50 EJAA Cc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1Cl 195444804 VYYFLCHAFPHFRB-UHFFFAOYSA-N 333.834 4.583 0 50 EJAA CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 239434104 YZLBMKFWNDFUGQ-TZOBPFOUSA-N 346.474 4.733 0 50 EJAA Clc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 252427613 VHWZMUZKFCGALN-VQTJNVASSA-N 332.919 4.569 0 50 EJAA COc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c(C)c1C 253420103 LYBLSVDSRNHLDD-HZPDHXFCSA-N 345.389 4.641 0 50 EJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2ccc(C)o2)c1 952965745 CLGNSQFLILLOTQ-IBGZPJMESA-N 334.419 4.873 0 50 EJAA OCc1cc2c(cc1-c1cc(C(F)F)cc3ccccc13)OCCO2 1875338709 IOLQJGYRIXQZCA-UHFFFAOYSA-N 342.341 4.708 0 50 EJAA C[C@H](NCCc1cccc(C(F)(F)F)n1)c1cccc2ncccc12 2325773925 ZYCKHRANAWRPIM-ZDUSSCGKSA-N 345.368 4.542 0 50 EJAA COc1cc(CN2CCC(C)CC2)ccc1OCc1ccccc1 216730 NHZBQJDEXLJZPQ-UHFFFAOYSA-N 325.452 4.506 0 50 EJAA CCc1cccc(C)c1NC(=O)c1ccc(OC)c(Br)c1 308438 UWTJFZFYNWRYEZ-UHFFFAOYSA-N 348.240 4.581 0 50 EJAA Cc1ccc2cccc(Oc3ncnc4sc5c(c34)CCC5)c2n1 390191 BKQKELMDWVBPJB-UHFFFAOYSA-N 333.416 4.829 0 50 EJAA Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccccc2)cc1 444172 WOPONSKGZBYRRZ-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccco1 569641 HXWHZUMUGOKCFZ-UHFFFAOYSA-N 338.750 4.994 0 50 EJAA C[C@H](Oc1ccccc1)c1nc(-c2cccc(Br)c2)no1 1064091 FVGYFAXFTJLRGX-NSHDSACASA-N 345.196 4.639 0 50 EJAA Cc1cc(Cl)c(OCCCN2CCCCC2)c(Br)c1 3000840 AGJXMOUNRZOAQL-UHFFFAOYSA-N 346.696 4.666 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4787353 XXSFRYVGIQYVIQ-IQQZFDTGSA-N 330.512 4.761 0 50 EJAA Cc1nc2ccccc2nc1N[C@@H](C)c1nc(C(C)(C)C)cs1 170622196 BOWARPPTMTYTHX-LBPRGKRZSA-N 326.469 4.865 0 50 EJAA CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 248382732 XXSFRYVGIQYVIQ-ZRODYXFNSA-N 330.512 4.761 0 50 EJAA CCOc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 303873 RJODMNBOPTZHAZ-UHFFFAOYSA-N 331.415 4.605 0 50 EJAA S=C(NCc1ccc(Cl)cc1)Nc1cccc2ccccc12 458887 ZWCMRLOTNTVRNS-UHFFFAOYSA-N 326.852 4.980 0 50 EJAA COc1cccc(OC)c1OCCCOc1cc(C)ccc1Cl 2985259 SCAILIAKADNVMA-UHFFFAOYSA-N 336.815 4.514 0 50 EJAA COc1cc(C(C)=O)ccc1OCc1ccc(Cl)cc1Cl 4342713 MIXWIQNBFRIDLH-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA biogenic,in-vitro Cc1cccc(-c2cn[nH]c2C2CCN(Cc3ccc(F)cc3)CC2)c1 12246161 RKQHEEHSOVEGKJ-UHFFFAOYSA-N 349.453 4.904 0 50 EJAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 13331665 POXMSBUZMDLNRJ-UHFFFAOYSA-N 348.450 4.809 0 50 EJAA O=C1S/C(=C/c2ccccc2C(F)(F)F)C(=O)N1c1ccccc1 15011677 RHMWHZNTFCEKSK-GXDHUFHOSA-N 349.333 4.946 0 50 EJAA COc1cccc([C@H]2CCN2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 72409444 IKJVEXWJHOFMAX-OAQYLSRUSA-N 347.462 4.649 0 50 EJAA O=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccccc1)CC1CCC1 97301391 LZOXWQLTJXJOBE-UHFFFAOYSA-N 345.446 4.519 0 50 EJAA O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1cc2cc(F)ccc2cn1 1875336425 DAIXQMCXYZIHOS-UHFFFAOYSA-N 348.377 4.535 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 369369 VKXJSYZSAXAZSB-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Cc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1 434899 VIBPJMQWMOQGET-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCCc2ccccc21 3907667 JEFQWAKTKYBHRH-UHFFFAOYSA-N 338.794 4.588 0 50 EJAA CCCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12242263 MPSQCFQLNOTMJI-QGZVFWFLSA-N 347.462 4.736 0 50 EJAA CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13810726 CMKUHKJNAPHLJF-IEBWSBKVSA-N 326.827 4.928 0 50 EJAA Cc1cc(N2CCCCC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40216972 PXIBOHFLVXAXEV-UHFFFAOYSA-N 340.858 4.657 0 50 EJAA Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1C[C@@H]1CCCO1 65383430 FIPHLWXFHXDRBO-SFHVURJKSA-N 336.410 4.844 0 50 EJAA CCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Cl)cc1 67630448 COGIWHKNZWATKI-UHFFFAOYSA-N 334.810 4.674 0 50 EJAA COC1(C)CCN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)CC1 867214831 JWARCFHFYKTGJB-ZWKOTPCHSA-N 349.902 4.641 0 50 EJAA Cc1ccccc1NC(=O)c1cc(Br)c(C)c(C)c1C 310469 FHPMUTDHQBQPGG-UHFFFAOYSA-N 332.241 4.935 0 50 EJAA COc1cc(CNCc2cccs2)ccc1OCc1ccccc1 360140 IXRNNRSOGMGTEH-UHFFFAOYSA-N 339.460 4.626 0 50 EJAA COc1ccccc1[C@@H](CCNCc1ccccc1F)c1ccco1 1820870 LPSASRYAMPFRQZ-GOSISDBHSA-N 339.410 4.739 0 50 EJAA CCOc1ccc(OCCOc2cccc(Cl)c2Cl)cc1 2984178 GBYOAQYLQKNNQO-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA CC[C@H](Sc1cc(C)c2ccccc2n1)C(=O)Nc1nccs1 11907454 CEGDTLRKDXLFCT-AWEZNQCLSA-N 343.477 4.509 0 50 EJAA CCOc1cc2c(cc1OCC)[C@@H](c1c(F)cccc1Cl)NCC2 20506835 SFKIMETUOKTCFK-IBGZPJMESA-N 349.833 4.512 0 50 EJAA Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC[C@@](C)(O)CC1 328594260 KLPDTHHREZKTHI-LJQANCHMSA-N 346.858 4.570 0 50 EJAA COc1ccc2ccccc2c1-c1nnc2ccc3ccccc3n12 78554 MKRQGIHLVHYBME-UHFFFAOYSA-N 325.371 4.711 0 50 EJAA COc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl 141820 ZPOOVZURWGOLQD-UHFFFAOYSA-N 342.247 4.733 0 50 EJAA Cc1cc(Cl)c2oc(C(=O)N(C)[C@H](C)c3ccccn3)c(C)c2c1 12307466 HGPROSHOHOPVCH-CYBMUJFWSA-N 342.826 4.931 0 50 EJAA COc1ccc(OC)c2c(C)cc(NC[C@@H](C)c3ccccc3)nc12 23634197 NZJWGUAMGGTFIB-OAHLLOKOSA-N 336.435 4.776 0 50 EJAA CCOc1ccccc1O[C@@H]1CCCC[C@H]1NCc1ccccc1 44124740 VSQPBOQZBTWANL-RTBURBONSA-N 325.452 4.565 0 50 EJAA CCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1 55393464 BECJBDBUZZICEA-UHFFFAOYSA-N 348.402 4.655 0 50 EJAA O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 168101644 VNZBMYOFBVVHJR-QHMOAEBESA-N 337.394 4.820 0 50 EJAA C[C@@H](Nc1ccnc2cc(F)ccc12)c1cccc(-n2ccnc2)c1 301421987 DBYGDFYJOJXWGL-CQSZACIVSA-N 332.382 4.733 0 50 EJAA CCOC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 953018995 RNHGRSPBJLGLAD-UHFFFAOYSA-N 349.217 4.573 0 50 EJAA C[C@]1(C(F)F)C[C@H]1C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 1875335741 FNGPFVNXLZIWFY-VPWXQRGCSA-N 347.380 4.517 0 50 EJAA CC(C)O[C@H](CN[C@H]1CCSc2ccccc21)c1ccccc1 2325829395 IXLZJZGTFMMRLU-RBUKOAKNSA-N 327.493 4.979 0 50 EJAA O=C(N[C@@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 158323 HLHWLASXUWHLRM-ZDUSSCGKSA-N 328.626 4.528 0 50 EJAA COc1ccc(C)cc1NC(=O)C1c2ccccc2Oc2ccccc21 181821 OAXYEXHNRMMVRX-UHFFFAOYSA-N 345.398 4.880 0 50 EJAA CCOc1ccc(-c2csc([C@H]3COc4ccccc4O3)n2)cc1 209324 ZJRXUUQCZBMFLC-GOSISDBHSA-N 339.416 4.721 0 50 EJAA CC[C@@H](C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 245849 WWAWCXSEGBRVOA-CQSZACIVSA-N 331.481 4.926 0 50 EJAA COc1cccc(CNc2nc3c(Cl)cccc3s2)c1OC 360622 KPSUWMWCKQJRSR-UHFFFAOYSA-N 334.828 4.579 0 50 EJAA Cc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1 433135 CLPOCHDBIGBOBF-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 435005 QTGCYMOYQIUQDI-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA CCc1ccc(OCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 469419 QSNFCVNVJINWBP-UHFFFAOYSA-N 345.442 4.758 0 50 EJAA COc1ccc(C)c2c1C1=C(C2)C2=CCC[C@H](OC(C)=O)[C@@]2(C)CC1 1068872 RPIUTHWGJMGJLV-UNMCSNQZSA-N 338.447 4.765 0 50 EJAA c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1 4039912 VXLSYPVPTOYMJS-UHFFFAOYSA-N 332.388 4.545 0 50 EJAA O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1c1ccccc1 4800609 GZFUVVNXJDDLBT-SAZYNNDCSA-N 326.395 4.762 0 50 EJAA COC1=NC(C)=C[C@@H](C(O)(c2ccccc2)c2ccccc2)C=C[C@@H]1C 104279217 IIMBFCGBBCBRNL-UWJYYQICSA-N 347.458 4.693 0 50 EJAA CCc1nc([C@H](C)N[C@@H]2CCC[C@H]3OCC[C@H]23)oc1-c1ccccc1 124979364 NGCVTPQROISFPX-RGIVZKHGSA-N 340.467 4.512 0 50 EJAA CCc1onc(C)c1NC(=O)N1c2ccccc2CC[C@@H]1C(C)C 225647096 WXSGQVLOXARBTB-OAHLLOKOSA-N 327.428 4.555 0 50 EJAA COc1ccc(C)cc1CNc1ccc(Oc2ccc(C)nn2)cc1 674064465 QRKQGDZFEGKKHJ-UHFFFAOYSA-N 335.407 4.506 0 50 EJAA CCCC[C@@H]1CN(C(=O)c2cccc(C(C)C)c2)C[C@H](C2CC2)O1 1857736260 HOUHCPRASHFSPC-WOJBJXKFSA-N 329.484 4.620 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1ccccc1 95067 CINTUKOCOXPCRV-LBPRGKRZSA-N 340.810 4.794 0 50 EJAA Cc1ccc(-c2csc3ncn(CCc4ccccc4)c(=O)c23)cc1 98482 ZSIFCHUTLAMDIL-UHFFFAOYSA-N 346.455 4.676 0 50 EJAA Brc1ccc(-c2csc3nc4ccccc4n23)cc1 390332 KITCFKPHZZDMMF-UHFFFAOYSA-N 329.222 4.979 0 50 EJAA CCC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 444548 IZXVRTUSROEHGI-UHFFFAOYSA-N 345.196 4.606 0 50 EJAA CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 1077185 MXWAURBOOZACID-HXUWFJFHSA-N 344.414 4.834 0 50 EJAA O=c1c(OCCc2ccccc2)c(-c2ccco2)oc2ccccc12 1978244 RTSHGBHCPGAISX-UHFFFAOYSA-N 332.355 4.675 0 50 EJAA c1ccc(SC2=NNC(c3ccccc3)=Nc3ccccc32)cc1 2468991 PEJFJUSPSGSYTG-UHFFFAOYSA-N 329.428 4.822 0 50 EJAA CCCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 2810439 OJVYDIYGUSTBKS-QGZVFWFLSA-N 325.452 4.617 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 4827870 SOKCHIIMJSEYLO-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA CCOc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1 13931261 KEWZZRYBIXESEV-OAHLLOKOSA-N 328.481 4.750 0 50 EJAA Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 65362555 KYJYMKRWTBNXJB-UHFFFAOYSA-N 347.422 4.789 0 50 EJAA CCc1noc([C@@H](C)n2cnc(-c3ccccc3)c2-c2ccc(C)o2)n1 65465386 OELDGNMLVWZSAN-CQSZACIVSA-N 348.406 4.673 0 50 EJAA C/C=C/CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67820247 KHZRALOXYUMPIM-NSCUHMNNSA-N 330.431 4.943 0 50 EJAA O=C(Nc1ccc(C2CCC2)cn1)c1c(Cl)ccc2cccnc12 1875342285 JAVQRUZDWYTCRQ-UHFFFAOYSA-N 337.810 4.803 0 50 EJAA FC(F)c1cc(N2C[C@@H](c3ccccc3)Nc3ccccc32)ncn1 2325827059 UJQNVPRONFQZDI-INIZCTEOSA-N 338.361 4.719 0 50 EJAA O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1 112683 MIVCMSICAPTAFE-XCVCLJGOSA-N 341.716 4.891 0 50 EJAA COc1cc(OC)c(NC(=O)c2ccc(C)cc2Cl)cc1Cl 458093 YUQRQMVFAHOYEU-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA S=C(NCCC(c1ccccc1)c1ccccc1)NC1CCCC1 468180 QTQYTXDHDSRLIW-UHFFFAOYSA-N 338.520 4.615 0 50 EJAA CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 469510 XMUFKMROGWLNPI-UHFFFAOYSA-N 329.856 4.624 0 50 EJAA O=C(OCc1c(Cl)cccc1Cl)c1ccc2ccccc2n1 542717 WUVIQOQLRUNLHF-UHFFFAOYSA-N 332.186 4.899 0 50 EJAA COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 620018 BJQBGEHEKBMOAC-MRXNPFEDSA-N 331.415 4.853 0 50 EJAA C[C@H](NC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2)c1ccncc1 2749590 OJKKOMHCXGITHT-ZFWWWQNUSA-N 342.508 4.785 0 50 EJAA COc1cc(C=O)ccc1OCCCOc1cc(C)c(Cl)cc1C 2984833 UNXWXPUAGWZWGP-UHFFFAOYSA-N 348.826 4.626 0 50 EJAA Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2C)cc1 6810675 MWXCQEUJONPFJS-UHFFFAOYSA-N 349.430 4.504 0 50 EJAA COc1cc2c(cc1O)[C@@H](c1ccccc1-c1ccccc1)CC(=O)N2 65423655 OEGQZLJLVWBZAS-QGZVFWFLSA-N 345.398 4.542 0 50 EJAA Cc1cc([C@H]2CCCN2C(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)no1 169986862 UGVKFXFQQIKFEY-NVXWUHKLSA-N 345.443 4.518 0 50 EJAA Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C(=O)CC(C)(C)O2 828414790 WANYHDYGXGPPHD-UHFFFAOYSA-N 334.371 4.512 0 50 EJAA CCN(CC[C@@H](C)CCCC(C)(C)OC)Cc1nc(C(C)C)no1 1506414304 XRXYFBRDHBLXNE-INIZCTEOSA-N 339.524 4.636 0 50 EJAA Clc1cccc2ccc(-c3nccn3CCC[C@H]3CCOC3)nc12 1857682122 ILJHDSWRWJUJKD-AWEZNQCLSA-N 341.842 4.568 0 50 EJAA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 101566 CNNXWWCNDIGGIW-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1 1925958 WMRVBCGNGKTQIG-DTQAZKPQSA-N 329.399 4.918 0 50 EJAA CCOCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 2381593 ICWUMLXQKFTJMH-UHFFFAOYSA-N 340.206 4.619 0 50 EJAA in-vitro CCOC(=O)CCCCCc1ccc(C(=O)c2ccccc2)s1 2810847 CYVYJBWEFGYYHN-UHFFFAOYSA-N 330.449 4.645 0 50 EJAA CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 4320229 DCVJWVCDQNLFAZ-IAGOWNOFSA-N 347.462 4.603 0 50 EJAA Cc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc(C)c1O 4649479 NPRRZUQQVVUABQ-OAQYLSRUSA-N 344.414 4.780 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 4821356 PSAPAZYEQRVNIW-IERDGZPVSA-N 337.463 4.600 0 50 EJAA CC(C)(C)c1cc(C(=O)O)c2c(C(=O)O)cc(C(C)(C)C)cc2c1 4984404 LZAGWQFMZYLKHL-UHFFFAOYSA-N 328.408 4.831 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@H]1c1cccs1 15867138 ALVKTGUPMWFKNT-AWEZNQCLSA-N 344.436 4.626 0 50 EJAA COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 25559827 VDKTYIPSFHXBCZ-DYESRHJHSA-N 346.386 4.531 0 50 EJAA Cc1cccc(C)c1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72138881 KZUBJSOOMFLBFL-UHFFFAOYSA-N 328.419 4.854 0 50 EJAA Cc1cc(N(C)C)ccc1NC(=O)C[C@H](C)c1c[nH]c2ccccc12 170615765 JPCXNWMOTLZFQK-AWEZNQCLSA-N 335.451 4.675 0 50 EJAA O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@]2(CC=CCC2)C1 170626911 AJINTEZIGPGTJZ-UXLLHSPISA-N 344.421 4.639 0 50 EJAA CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(Cl)c2)CC1 225166638 JIIMOGKYUKJIAD-UHFFFAOYSA-N 331.243 4.503 0 50 EJAA CCOc1ccccc1[C@H](CC)NC[C@H](O)c1cccc(Cl)c1 775087837 RROIKMYBNIGNAX-ROUUACIJSA-N 333.859 4.513 0 50 EJAA Cc1ccc(N[C@@H](c2ccc(C)cc2)n2nnc3ccccc32)cc1 1534067599 UVYFZVHQVOJWPH-OAQYLSRUSA-N 328.419 4.707 0 50 EJAA O=C(Nc1cncc2ccccc12)[C@@H]1CCCc2ccc(Cl)cc21 1875337320 QTESWALCLGKUKC-QGZVFWFLSA-N 336.822 4.947 0 50 EJAA CCOC(=O)N1CCCc2ccc(NC[C@@H]3CCC[C@@H](F)C3)cc21 2325874590 SQBOJBZIWBHCQC-GDBMZVCRSA-N 334.435 4.536 0 50 EJAA O=C(O)c1cccc(Nc2ncnc3sc(-c4ccccc4)cc23)c1 64872 HKDXQXQGYQOLOD-UHFFFAOYSA-N 347.399 4.800 0 50 EJAA CCN(CC)CCNc1cc(-c2cccs2)nc2ccccc12 88028 OTMRNEAGIPQZIV-UHFFFAOYSA-N 325.481 4.717 0 50 EJAA Cc1ccc2[nH]c(C)c(CCNC(=O)Nc3ccc(Cl)cc3)c2c1 110545 WRCKFJVCWRAFLP-UHFFFAOYSA-N 341.842 4.802 0 50 EJAA biogenic,in-vitro Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 127516 PTEHINZKKXGQHR-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA CCCN1CCn2c3c(c4cc(Br)ccc42)CCC[C@@H]31 448435 IRNXDKZUAGPSIT-INIZCTEOSA-N 333.273 4.507 0 50 EJAA biogenic COc1ccc(Cc2nc3ccccc3n2Cc2ccccc2C)cc1 572403 MWGZSVVSHGTRRW-UHFFFAOYSA-N 342.442 4.992 0 50 EJAA COc1ccc(C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 3612557 GAEYJABQJRKECU-UHFFFAOYSA-N 337.444 4.835 0 50 EJAA Cc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 4184608 LUGUVSYXSRKINA-UHFFFAOYSA-N 328.462 4.592 0 50 EJAA Fc1c(F)c(N2CCCCC2)c(F)c2c1N=Cc1ccccc1O2 4623979 XBOGDNGJVKSYGW-UHFFFAOYSA-N 332.325 4.951 0 50 EJAA O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)c1cccc2ccccc12 4851307 NUCRUAALXFPTSQ-LAUBAEHRSA-N 333.431 4.964 0 50 EJAA CCC[C@H](NC(=O)c1c(CC)noc1C)C12CC3CC(CC(C3)C1)C2 5672009 JAKNXTFTAAJWBV-CARYKQCGSA-N 344.499 4.660 0 50 EJAA C[C@@H](c1ccccn1)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 55071260 VNKWTQGGYKYBAL-XBQWNJISSA-N 326.484 4.598 0 50 EJAA CC(C)C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 65465987 HSKPHSQOFYBPHP-AWEZNQCLSA-N 327.390 4.533 0 50 EJAA O=C(c1cc(Cl)nc(Cl)c1)N1CCCC[C@H]1c1ccccc1 225602023 NNDXBTKREJXTPI-AWEZNQCLSA-N 335.234 4.756 0 50 EJAA COc1cccc([C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 229382082 ZUJHOXBTSAZDJK-DOTOQJQBSA-N 336.435 4.777 0 50 EJAA COc1cccc(C)c1C(=O)N(Cc1ccc(SC)cc1)C1CC1 952980399 GXLGRUIHORNQFG-UHFFFAOYSA-N 341.476 4.530 0 50 EJAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1cc(C2CCCCC2)no1 1529089925 CTJCBQNSWGILHY-UHFFFAOYSA-N 341.430 4.975 0 50 EJAA CC(CNC(=O)[C@@H]1[C@H]2CCCCC[C@H]21)(c1ccccc1)c1ccccc1 1875336205 VZNSITMREGHHLH-ZBYYUNFXSA-N 347.502 4.935 0 50 EJAA O=C(Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(Cl)cc1 445217 NGPQIOIQFYXTFJ-UHFFFAOYSA-N 338.716 4.591 0 50 EJAA CCC(CC)C(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 614937 VUCUFCPPCXLODX-OAHLLOKOSA-N 338.451 4.552 0 50 EJAA O=C(CC(CC(=O)c1ccccc1)c1ccccn1)c1ccccc1 1587591 ZQXGBLSJLHFSOS-UHFFFAOYSA-N 329.399 4.711 0 50 EJAA CC(C)Oc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 5094763 BLRDINHNIPTPAJ-UHFFFAOYSA-N 337.463 4.569 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 12138320 UONSSCYDBMRABF-UHFFFAOYSA-N 344.414 4.524 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3ccc4ccccc4c3)CC2)c1 55292146 NNRYVNLLUDOHTB-UHFFFAOYSA-N 330.475 4.779 0 50 EJAA Clc1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)c(Cl)c1 100702276 UHRPEROKXVXBOA-MRXNPFEDSA-N 343.217 4.641 0 50 EJAA O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCc2cnccc21 118638346 XRHUAJKCYPPGPL-UHFFFAOYSA-N 340.835 4.666 0 50 EJAA CC(=O)c1ccccc1C(=O)Nc1ncc(-c2ccccc2C)s1 225449855 DNOPWVSXIWZLMQ-UHFFFAOYSA-N 336.416 4.573 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)no1 864045260 OOXPBOWBVPORGA-HNNXBMFYSA-N 332.375 4.553 0 50 EJAA O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCCC1 433804 PNEPUHSAFHYWHJ-UHFFFAOYSA-N 342.851 4.853 0 50 EJAA Cc1nc2cc(NC(=O)Nc3cccc4ccccc34)ccc2n1C 470206 BICZVOCHZXQWOU-UHFFFAOYSA-N 330.391 4.679 0 50 EJAA O=C(Nc1ccccc1Cl)[C@@]1(c2ccccc2)CC1(Cl)Cl 4955978 KYQQNZSTHWBUBL-HNNXBMFYSA-N 340.637 4.794 0 50 EJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 9259124 OBMBWKKCRFOEPZ-UHFFFAOYSA-N 330.815 4.577 0 50 EJAA C[C@@H]1CN(Cc2cccc3ncccc23)Cc2cc(Cl)ccc2O1 12167746 IDYYNGCOKPXKFY-CQSZACIVSA-N 338.838 4.671 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C 33270619 LSWGHYRZBWFKHV-HNNXBMFYSA-N 347.846 4.876 0 50 EJAA CC(=O)c1cc(CN(Cc2cccnc2)Cc2ccsc2)cs1 55200065 MKLGUXYKCWGGQM-UHFFFAOYSA-N 342.489 4.610 0 50 EJAA CC(C)N1CCC(c2nccn2[C@@H](C)c2ccc3[nH]ccc3c2)CC1 71746862 UPMVUFQVFLHLBX-INIZCTEOSA-N 336.483 4.562 0 50 EJAA CCCN(Cc1ccncc1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91745900 PGIJZCUTYHADGV-UHFFFAOYSA-N 335.451 4.541 0 50 EJAA Clc1cccc([C@@H]2C=C(c3ccccc3Cl)Nc3ncnn32)c1 101079910 XBBNWAWBXLTIBJ-INIZCTEOSA-N 343.217 4.641 0 50 EJAA O=C(Nc1ncccc1-c1ccccc1)c1cnc(-c2ccco2)s1 181423877 XOXVUNSZWMEWLD-UHFFFAOYSA-N 347.399 4.717 0 50 EJAA COc1ccc(C(=O)NC[C@]2(C)CCC[C@@H]2C)c(OCCC(C)C)c1 1875357360 DFRMTJQCQCJQBF-KKSFZXQISA-N 347.499 4.676 0 50 EJAA CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc(C)c1C 118535 KCBPJJVGWJPGPX-UHFFFAOYSA-N 343.404 4.540 0 50 EJAA Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)o1 208632 KXEPLQCKIGIRGT-UHFFFAOYSA-N 327.192 4.929 0 50 EJAA CCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 264471 CZGWJMMZHASIDD-UHFFFAOYSA-N 346.430 4.765 0 50 EJAA CC(C)C[C@@H]1C[C@](C)(c2csc(Nc3ccccc3)n2)OC1=O 330694 ZSJMLFXSUTZHQS-FZKQIMNGSA-N 330.453 4.711 0 50 EJAA CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccco1 2846104 FEFIQTAHTILAMN-IBGZPJMESA-N 337.419 4.638 0 50 EJAA biogenic Fc1ccccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1 12242413 NSQCFTGAIZRGQX-UHFFFAOYSA-N 349.453 4.519 0 50 EJAA FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2cccnc2)C1 71663055 HVTLTIQKGUCHSF-MRXNPFEDSA-N 348.412 4.945 0 50 EJAA CC(C)(CC(=O)N1CC[C@H](CSc2ccccc2)C1)C(F)(F)F 281620103 ZVNLBPQWTIGSGS-ZDUSSCGKSA-N 345.430 4.606 0 50 EJAA O=C(c1cc2c(ccc3ccccc32)[nH]1)N1CCc2c(F)ccc(F)c21 498969393 UOGOZUBOOZRUTN-UHFFFAOYSA-N 348.352 4.802 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(F)c(F)c1F 822823334 GHWVDNSYWOVBKO-OAHLLOKOSA-N 336.357 4.502 0 50 EJAA CC(C)(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)s1 374486 UROWBTAOEQYJAP-STQMWFEESA-N 349.887 4.522 0 50 EJAA O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1Cl 398796 PSZOIKMEHIMFAE-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA Oc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1 460251 PHLLUEBIABZXRY-UHFFFAOYSA-N 328.371 4.822 0 50 EJAA Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)s1 461550 MCCRBKUEWNVOTG-INIZCTEOSA-N 326.446 4.563 0 50 EJAA FC(F)(F)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2ccnn21 2766725 MJFAUAGMMKWIQU-GHMZBOCLSA-N 336.144 4.850 0 50 EJAA c1ccc(COc2ccc(OCCCN3CCCCCC3)cc2)cc1 2839433 BWZISJMNSCZVAG-UHFFFAOYSA-N 339.479 4.911 0 50 EJAA c1ccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 4980245 QJCMEAFSUJYCPC-UHFFFAOYSA-N 340.470 4.580 0 50 EJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCCC1 6337594 GNJNDMIQSUFLSE-UHFFFAOYSA-N 336.794 4.505 0 50 EJAA COc1ccccc1NC(=O)c1sc2cccc(F)c2c1Cl 13326061 VIVYKTUGKDCRLU-UHFFFAOYSA-N 335.787 4.955 0 50 EJAA CC(C)=CCN1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 82039488 BQBPTWIIGOQUNA-INIZCTEOSA-N 329.875 4.876 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@H]34)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]34)O1 257357065 LVXICQLAEIUOJT-HELHMXPXSA-N 344.520 4.708 0 50 EJAA CCCn1ncc(NC(=O)[C@H](C)Cc2ccccc2Cl)c1C1CC1 452469375 VRPPAGKZOHIFEY-CYBMUJFWSA-N 345.874 4.641 0 50 EJAA COCc1cccc(CN2CCCCC[C@H]2c2ccc(OC)cc2)c1 2332239388 OTYJXLPYNZAQPF-QFIPXVFZSA-N 339.479 4.959 0 50 EJAA Cc1ccc(N[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1C 12449477 GPTCRRIBPCFISA-QGZVFWFLSA-N 341.430 4.551 0 50 EJAA CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 13519807 MECRELFAEXUJOD-UHFFFAOYSA-N 341.480 4.602 0 50 EJAA C[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cc(Cl)ccc2O1 299768841 KQRJKVNWEUKLLD-CQSZACIVSA-N 338.838 4.671 0 50 EJAA Cc1cc(NC(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)cc2n[nH]cc12 1476295489 LWWLKKNDERJWCR-RBZFPXEDSA-N 348.450 4.707 0 50 EJAA COC1CC2(C1)C[C@@H]2N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 1875328832 NZVYASAMUCJOBT-SAGYGOJTSA-N 341.417 4.950 0 50 EJAA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Br)o1 444724 QKUOKWHBAIKFPJ-UHFFFAOYSA-N 342.192 4.546 0 50 EJAA Fc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 2784556 QUSURTUPDARFGF-UHFFFAOYSA-N 340.876 4.558 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccnc2)no1 4171381 VTJZSCNCVNAMGJ-VIFPVBQESA-N 336.178 4.578 0 50 EJAA CC(=O)c1c(NCc2ccccc2)nc(-c2ccccc2)[nH]c1=S 23115532 ZXFBXDAZAVNXJJ-UHFFFAOYSA-N 335.432 4.621 0 50 EJAA c1ccc(-c2ncn(CCCc3cccnc3)c2-c2ccncc2)cc1 65409910 XVJWZBBVZSDXIR-UHFFFAOYSA-N 340.430 4.640 0 50 EJAA CCn1ccc2ccc(CN3CCC[C@H]3c3nc(C(C)C)no3)cc21 77566422 HTMZAANFDWISAU-KRWDZBQOSA-N 338.455 4.505 0 50 EJAA Cc1cccc([C@H]2CCCN2C(=O)Nc2cn(C)nc2C(C)C)c1C 253432699 MWSMFNCVCAUJSX-GOSISDBHSA-N 340.471 4.529 0 50 EJAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1nccs1 263588303 ROJZPDCJVICDQX-SFHVURJKSA-N 347.443 4.716 0 50 EJAA COc1ccccc1Oc1ccc(CN[C@H](C)c2cc(C)on2)cc1 289887850 SZJKHWJJHHYLRO-OAHLLOKOSA-N 338.407 4.635 0 50 EJAA c1ccc(-c2ccccc2CNc2ccc(-c3cncnc3)cn2)cc1 798430304 LMDHBJWRJYLLJK-UHFFFAOYSA-N 338.414 4.818 0 50 EJAA CC(C)(C)[C@H]1CN(Cc2ccncc2Cl)C[C@@H](c2ccccc2)O1 1875243032 MDXAXPPTAMZPSE-RBUKOAKNSA-N 344.886 4.723 0 50 EJAA O=c1n(Cc2ccccc2)c2ccc(Cl)cc2n1Cc1ccccc1 35509 RBNNCSVSTOQAOD-UHFFFAOYSA-N 348.833 4.553 0 50 EJAA COc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 456587 SNOBDYZCOTZWKT-UHFFFAOYSA-N 344.823 4.724 0 50 EJAA CCc1c(C)c2ccc(OCc3ccc(F)cc3F)cc2oc1=O 608574 WKDHBFWSKBYZBC-UHFFFAOYSA-N 330.330 4.521 0 50 EJAA CCOC(=O)N[C@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O 1394526 CVEKVYYXCUMZNZ-NVXWUHKLSA-N 337.847 4.667 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3ccccc3OC)ccc12 2197032 HCVJSOKAOCSWQA-UHFFFAOYSA-N 338.403 4.723 0 50 EJAA Oc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 2812806 MLYMYTBJWXGOSC-UHFFFAOYSA-N 331.350 4.885 0 50 EJAA C[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 2941068 GWXYVSDVNOUEMD-SFHVURJKSA-N 329.443 4.738 0 50 EJAA CCSc1ccccc1C(=O)NCCc1c[nH]c2ccc(C)cc12 4840465 LJOKFNQUFJQEGZ-UHFFFAOYSA-N 338.476 4.561 0 50 EJAA O=Cc1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 5947927 SCKGCVDNLCMTTB-UHFFFAOYSA-N 331.202 4.718 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)c(C)c1 13328703 SEMWGJCWLSCFHT-OAHLLOKOSA-N 334.419 4.758 0 50 EJAA COc1ccc(C)cc1NC(=O)c1cccc(-c2csc(C)n2)c1 173045623 KGSSNOQPERHKAG-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@H]2CCCC[C@H]21 229578068 JYAWNGHLPBLRNT-WWGRRREGSA-N 330.859 4.862 0 50 EJAA CCN(CC1CC1)C(=O)c1cccc(-c2nccc3ccccc23)c1 426555345 ARDYFEYAOPMMLK-UHFFFAOYSA-N 330.431 4.774 0 50 EJAA CCOc1ccccc1[C@@H](CC)NC[C@H](O)c1ccc(Cl)cc1 775089045 YTHWBYGXVITNHS-MSOLQXFVSA-N 333.859 4.513 0 50 EJAA Cc1ccc(-c2nnc(-c3cc(F)cc(C(F)(F)F)c3)o2)s1 1875258816 SEDOCFLPTJABRC-UHFFFAOYSA-N 328.290 4.931 0 50 EJAA C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCC2C3CC4CC(C3)CC2C4)o1 1875342103 XVNPYAWIAFMJQK-SUIYTSPGSA-N 341.495 4.524 0 50 EJAA CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1C 389021 COGDZBCRHSQAIG-UHFFFAOYSA-N 342.370 4.729 0 50 EJAA O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cc(Cl)ccn1 475185 BPMONPWNCWZZLA-SNAWJCMRSA-N 327.598 4.694 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)c(C)c1 1220256 RBAMSTYEZVDDMY-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA COc1cccc(Oc2nc(C)nc3sc4c(c23)CCCC4)c1 2466080 LSQOFELIWZTIJZ-UHFFFAOYSA-N 326.421 4.679 0 50 EJAA Cc1cccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)c1 2669178 NKOFCOJBVCEINJ-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA COc1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)cc(OC)c1OC 5123733 SAFGGFQKQGZUTJ-BQYQJAHWSA-N 340.419 4.534 0 50 EJAA Cc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc12 5730083 VRIUQPPDWBIGEB-UHFFFAOYSA-N 338.256 4.632 0 50 EJAA COc1cccc(CN(C)Cc2nc(-c3cccc(C)c3)oc2C)c1 11842487 IAFXGKSFDHGODW-UHFFFAOYSA-N 336.435 4.599 0 50 EJAA COc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 36621223 TXUXCPKIMLDBAY-KRWDZBQOSA-N 330.815 4.718 0 50 EJAA CC(C)c1cc(C(=O)NC(C)(C)c2ccc(F)cc2)nn1C(C)(C)C 170621056 AIAYJLSOKZNFEW-UHFFFAOYSA-N 345.462 4.566 0 50 EJAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2ccccc2)c2nccs2)C1(C)C 170621208 OCCKDBGGTURBEV-IKGGRYGDSA-N 340.492 4.587 0 50 EJAA Clc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 252535687 GOXYILAIBJWFDG-OAHLLOKOSA-N 342.855 4.595 0 50 EJAA Fc1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1F 1308322692 JPBNEKUGRKNJCA-UHFFFAOYSA-N 339.389 4.777 0 50 EJAA COc1ccccc1Oc1ccc(NC(=O)c2cc(C)cc(C)c2)cn1 1875246003 WVKKKEIZFDVHIN-UHFFFAOYSA-N 348.402 4.752 0 50 EJAA Cc1ccc2nc(C)c3c(c2c1)O[C@H]([C@](C)(Cl)Br)C3 436074 XAIFIFDYGKGPIJ-ZFWWWQNUSA-N 340.648 4.505 0 50 EJAA Cc1ccc(C)c(-c2nc(-c3cccc(Br)c3)no2)c1 1068841 JBQBATVZBDFMHM-UHFFFAOYSA-N 329.197 4.783 0 50 EJAA COc1ccc(OCCCCCCOc2ccc(OC)cc2)cc1 3106060 VNXXCCYZURQKGT-UHFFFAOYSA-N 330.424 4.722 0 50 EJAA CC[C@@H](NC(=O)Nc1ccc(OC)cc1OC)c1ccc(Cl)cc1 13329043 MKGJYHWCAWRTRV-OAHLLOKOSA-N 348.830 4.630 0 50 EJAA FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2c(Cl)cnn12 20616539 QLAQQYNVRMHNGB-UHFFFAOYSA-N 338.141 4.783 0 50 EJAA Fc1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1 96347569 BHELLAOXDCZWRB-UHFFFAOYSA-N 333.406 4.678 0 50 EJAA Cc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)ccc1Cl 426505729 IGKHZTJSVWNQRL-UHFFFAOYSA-N 330.859 4.969 0 50 EJAA COc1ccc2ccccc2c1-c1noc(C(Cl)(Cl)Cl)n1 526055992 JPMOBSVJRVQDBH-UHFFFAOYSA-N 343.597 4.725 0 50 EJAA Cc1nnc(-c2cccc(-c3cccc([C@H](C)N4CCCC4)c3)c2)o1 534590224 CVYCBMUNMLVVLE-HNNXBMFYSA-N 333.435 4.869 0 50 EJAA CC(C)C[C@H]1CCCC[C@H]1NC(=O)c1cccc(OC(C)(C)C)n1 1875357773 WIEJEJLODHAILK-HZPDHXFCSA-N 332.488 4.594 0 50 EJAA CN(C)c1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)cc1 2356150141 NQQVNQTYZQAPEE-UHFFFAOYSA-N 325.362 4.836 0 50 EJAA Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1-c1ccccc1 28425 OIHCVXXZJIHZQS-IAGOWNOFSA-N 334.444 4.861 0 50 EJAA Cc1cc(OCC(=O)Nc2cccc3ccccc23)ccc1Cl 37589 KFPJAIWUYJBOPV-UHFFFAOYSA-N 325.795 4.819 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl 335450 LZLQWDNWZDNZAR-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2c(C)cc(Cl)cc2C)cc1 401885 ZWQDYWKWNGKOSM-UHFFFAOYSA-N 347.798 4.744 0 50 EJAA CC(=O)c1ccc(COc2ccccc2C(=O)Oc2ccccc2)cc1 613865 FMILBVNTBHJIJP-UHFFFAOYSA-N 346.382 4.687 0 50 EJAA O=C(NCCC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4833953 MIRACTBKBLDAGK-UHFFFAOYSA-N 341.539 4.926 0 50 EJAA COc1cc(NC(=O)c2sc3ccccc3c2Cl)cc(OC)c1 7969957 BZEKDSMCCPGFAR-UHFFFAOYSA-N 347.823 4.824 0 50 EJAA Cc1cnc(NC(=O)c2ccc([C@@H]3CCCN3CC(C)C)s2)s1 23379608 TYAFQDLNKKJACB-ZDUSSCGKSA-N 349.525 4.558 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)no1 64984602 WPEGAJYSNQTNLP-SFHVURJKSA-N 327.428 4.613 0 50 EJAA COc1ccc(CN2CCCC2)cc1Oc1ccc2ncccc2c1 67774777 KJNHRNYDANSGGM-UHFFFAOYSA-N 334.419 4.632 0 50 EJAA CCc1nn2c(-c3ccc(OC)cc3)ccnc2c1-c1ccc(F)cc1 72119313 PGWROAHZHHYKLN-UHFFFAOYSA-N 347.393 4.773 0 50 EJAA O=C(c1sc2ccccc2c1Cl)N1CC[C@H](c2ccccn2)C1 225600028 QNHJOJIOLFUPPX-LBPRGKRZSA-N 342.851 4.579 0 50 EJAA COc1ccc(-c2cnc(CN3CCC[C@H]4CCCC[C@H]43)o2)cc1 230145371 HULCOLKOTPWQNK-CRAIPNDOSA-N 326.440 4.505 0 50 EJAA O=C(Nc1ccc(NCc2sccc2Cl)nc1)c1ccccc1 475549082 DANBCRNKXAOFFD-UHFFFAOYSA-N 343.839 4.661 0 50 EJAA Cc1nc(-c2nc(O)c3c(C4CCCCC4)csc3n2)cs1 668142391 ANGBAWMULYLMTL-UHFFFAOYSA-N 331.466 4.877 0 50 EJAA Oc1ccc(Cl)c(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 1308068970 UXFAJUAZIJFPNW-QGZVFWFLSA-N 329.827 4.582 0 50 EJAA Fc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1 83797 ZOZYMGVYOPMWAF-UHFFFAOYSA-N 336.395 4.505 0 50 EJAA COc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 92360 BHMIFTXGPDRMLT-UHFFFAOYSA-N 349.615 4.721 0 50 EJAA Cc1cc(C)c(OCC(=O)Nc2cccc(Cl)c2C)c(Cl)c1 459828 CZHUOWZHWIAUTK-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA Cc1ccc(O)c(-c2cc(-c3ccc(Br)cc3)n[nH]2)c1 502199 SNYHAPQAVXYIJJ-UHFFFAOYSA-N 329.197 4.520 0 50 EJAA CC[C@@](O)(c1ccc(OC)cc1)[C@H](c1ccccc1)c1ccccn1 1608998 AAIGFEFEYXEACA-FGZHOGPDSA-N 333.431 4.520 0 50 EJAA biogenic NC[C@H](c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2386709 VCUJNFWOXYZUSK-CQSZACIVSA-N 333.275 4.815 0 50 EJAA in-vitro Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1C 2743769 WKMPCYLZAQCLHR-INIZCTEOSA-N 337.463 4.755 0 50 EJAA CC[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 8706740 JEUMZKCDNDTXOX-OAQYLSRUSA-N 330.431 4.805 0 50 EJAA O=C(c1cccc(F)c1F)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71763102 KVMBHFXISRSQEQ-HNNXBMFYSA-N 347.380 4.589 0 50 EJAA C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1Br 201321010 KQNRMISRZVQOTB-MRVPVSSYSA-N 334.641 4.688 0 50 EJAA Cc1ccc(C)c([C@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 225585861 BJYMSRBNKVCHQP-QGZVFWFLSA-N 336.464 4.558 0 50 EJAA CC[C@H](O)c1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1 299774091 AEAQFLYHHWFBAG-NRFANRHFSA-N 337.463 4.813 0 50 EJAA CSc1ccsc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 408512961 QIIKCCZFOUDPAV-UHFFFAOYSA-N 331.466 4.653 0 50 EJAA c1coc([C@@H]2CCCCCN2Cc2ccc(-c3cc[nH]n3)s2)c1 820414196 NVPZJIJVFSVELU-INIZCTEOSA-N 327.453 4.849 0 50 EJAA C[C@H](c1nc2ccccc2s1)N(C)Cc1cc(O)ccc1Cl 1307559235 NWKWNRFFONZBTM-LLVKDONJSA-N 332.856 4.848 0 50 EJAA C[C@H](C(=O)NC1(Cc2ccc(Cl)cc2)CCC1)c1ccccc1 1436538666 BNQPCRJGVVSVDG-HNNXBMFYSA-N 327.855 4.725 0 50 EJAA Cc1ccc([C@H]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 2325773381 RCMCGFVQGZEVPT-MSOLQXFVSA-N 326.440 4.713 0 50 EJAA CC[C@H](C)NC(=O)c1ccc(CSCc2ccccc2Cl)o1 262994 FNJAXZKXTDBQGJ-LBPRGKRZSA-N 337.872 4.895 0 50 EJAA CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1 302291 GTUWYZPOGJZPNZ-UHFFFAOYSA-N 347.414 4.572 0 50 EJAA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl 310285 UDJGUFPXANGHLE-UHFFFAOYSA-N 340.206 4.653 0 50 EJAA CC[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 442501 MGKWGLBGFIJQPB-CYBMUJFWSA-N 336.204 4.721 0 50 EJAA CCCCSc1ccc(NC(=O)COc2ccccc2C)cc1 2839768 LISMJKSYUNOLPQ-UHFFFAOYSA-N 329.465 4.905 0 50 EJAA CC1(C)Cc2nc(-c3ccccc3)n(O)c2-c2[nH]c3ccccc3c21 12384537 NXBPEOFFWGLLCH-UHFFFAOYSA-N 329.403 4.769 0 50 EJAA Cc1scc(C(=O)Nc2nnc(C3CC3)s2)c1-c1ccccc1 13746797 VBJJIOIQUYTQCE-UHFFFAOYSA-N 341.461 4.705 0 50 EJAA Cc1ccc(-c2nccn2CCCC[C@H]2CCCO2)c2cccnc12 1857686825 DOHCQVTUZLHVOE-KRWDZBQOSA-N 335.451 4.756 0 50 EJAA Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)[C@@H]1C[C@@H]1c1ccccc1 1875255132 BCFCDIWASUBZMD-MDASCCDHSA-N 346.430 4.572 0 50 EJAA CCN(C(=O)c1cc(C(C)C)[nH]c1C(C)C)c1cccc(C(=O)O)c1 2325817567 BJVQLKSRESYDMT-UHFFFAOYSA-N 342.439 4.626 0 50 EJAA C[C@@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 219001 SVDYYWQMNYSZKC-KRWDZBQOSA-N 328.887 4.656 0 50 EJAA O=C(Nc1cccnc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 262240 LQYYMZIMMZCACN-UHFFFAOYSA-N 333.174 4.901 0 50 EJAA CCc1ccc(NC(=O)CCCC(=O)Nc2ccc(CC)cc2)cc1 369790 QJALIEKPEYJDFZ-UHFFFAOYSA-N 338.451 4.559 0 50 EJAA Cc1cc(OCc2ccc(F)cc2Cl)c2c(C)cc(=O)oc2c1 616296 FKUJIZRXZJAPJH-UHFFFAOYSA-N 332.758 4.781 0 50 EJAA Cn1cc([C@@H](OC(=O)c2cccs2)C(F)(F)F)c2ccccc21 1399172 VWMIWKIJTLVSCN-CQSZACIVSA-N 339.338 4.700 0 50 EJAA CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2886105 HZIRAWJBEANUPI-UHFFFAOYSA-N 340.250 4.691 0 50 EJAA COc1ccccc1OCCCCOc1cccc2ccc(C)nc12 3460688 VRRSXMWNUHJUMG-UHFFFAOYSA-N 337.419 4.790 0 50 EJAA CC(C)c1cc(NC(=O)C(Cl)(Cl)Cl)cc(C(C)C)c1O 5061025 OVUXSPAZNFHMND-UHFFFAOYSA-N 338.662 4.948 0 50 EJAA CC(C)Cc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 13571186 ILEASBRWWRQWFX-UHFFFAOYSA-N 345.255 4.687 0 50 EJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 20604976 NNDLPCVHBCRJSI-UHFFFAOYSA-N 335.329 4.541 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 25762119 QXNLJISYJIIVBW-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA Cc1cc([C@H]2CCCN2Cc2[nH]c3ccc(Cl)cc3c2C)no1 97360051 UZJUFRIKYZQDPY-GOSISDBHSA-N 329.831 4.763 0 50 EJAA Cc1nc2cc(NC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2o1 100633288 QMYAVCOPHYGTJB-KUHUBIRLSA-N 327.428 4.569 0 50 EJAA Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@H](CC(C)C)C3)c2)n1 120878505 FKQNFRFBUCRLFR-MRXNPFEDSA-N 341.455 4.858 0 50 EJAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCC[C@@H]1c1ccccc1 216398807 AGDWITGKGIFECJ-HZPDHXFCSA-N 327.449 4.577 0 50 EJAA c1ccc2c3c([nH]c2c1)CN(Cc1ccc([C@@H]2CCCCO2)o1)CC3 820408739 VECJRDDKYOQOBJ-FQEVSTJZSA-N 336.435 4.561 0 50 EJAA Cc1oc(C(C)(C)C)cc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 903846015 LUZAQHUZORGMSX-UHFFFAOYSA-N 349.434 4.619 0 50 EJAA Cc1nc2cc(-c3ccc(O)c(OC(F)(F)F)c3)ccc2s1 1772819321 IXFINDWZLAIGMO-UHFFFAOYSA-N 325.311 4.876 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)no1 70469 YPQLBYYWOADFLQ-SECBINFHSA-N 336.178 4.578 0 50 EJAA CC[C@H](NC(=O)c1cccc(Br)c1)c1ccc(C)cc1 371104 UPBRHENJRGTYPP-INIZCTEOSA-N 332.241 4.639 0 50 EJAA O=C(Nc1ccccc1Br)c1ccccc1C(F)(F)F 379662 CGILHXPTULUYCJ-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA CCOc1ccc(NCC(=O)n2c3c(c4ccccc42)CCCC3)cc1 462821 CLNCYPYGNFFIBS-UHFFFAOYSA-N 348.446 4.671 0 50 EJAA Cc1cc(NCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 5575433 KGWCTROONONUPE-UHFFFAOYSA-N 328.419 4.625 0 50 EJAA CC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13810725 CMKUHKJNAPHLJF-MJGOQNOKSA-N 326.827 4.928 0 50 EJAA CCc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 64984808 IQZSDPWIROXQKU-QGZVFWFLSA-N 327.428 4.729 0 50 EJAA CCOc1cc(F)ccc1NC(=O)c1scnc1C1CCCC1 184067789 NUZHPFWRDDXSKB-UHFFFAOYSA-N 334.416 4.591 0 50 EJAA C[C@@H](O)c1cc(NCc2c(Cl)cccc2N2CCCC2)ccc1F 796520750 HFQDSHOKPXRMQL-CYBMUJFWSA-N 348.849 4.745 0 50 EJAA CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C)c1CC 433810 IQECGKXLUOOWIC-CMDGGOBGSA-N 349.477 4.509 0 50 EJAA O=C(CSCc1cccc(Cl)c1)Nc1ccc(Cl)cc1 444050 ZAYLBIALQMEARS-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA CCn1ncc2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 20616553 HRGXDWAFDIERPQ-UHFFFAOYSA-N 349.400 4.938 0 50 EJAA C[C@H](N[C@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 119183735 IHOZGPTZRJMATD-LSDHHAIUSA-N 337.398 4.820 0 50 EJAA C[C@H](c1nccs1)N(C)C(=O)c1cccc(Oc2ccccc2)c1 215947363 MYVJFGJWIXEGES-CQSZACIVSA-N 338.432 4.769 0 50 EJAA CCCO[C@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 222656375 CEBMZIARJQIPGJ-FQEVSTJZSA-N 341.426 4.524 0 50 EJAA c1ccc(N2CC[C@@H](CN[C@H]3CC4(CCC4)Oc4ccccc43)C2)cc1 247081020 OWRMALKGEMKLKM-RXVVDRJESA-N 348.490 4.549 0 50 EJAA Cc1ccn(-c2cccc(N[C@@H]3CCC[C@H](c4cccnc4)C3)c2)n1 2325700451 SNYSZLRMDFUVBR-PKOBYXMFSA-N 332.451 4.714 0 50 EJAA CSc1ccccc1NC(=O)CSc1nc2ccccc2s1 97883 HWJFWQYLVKOZPQ-UHFFFAOYSA-N 346.502 4.749 0 50 EJAA C[C@H]1C[C@@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1 173880 FUJJYWHEWLAICE-HNAYVOBHSA-N 332.403 4.872 0 50 EJAA Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1 344612 MAQOZOILPAMFSW-UHFFFAOYSA-N 348.442 4.910 0 50 EJAA COc1cccc(CNc2ccc(N3CCC(C)CC3)cc2)c1OC 360204 MATSUFORSCSJSR-UHFFFAOYSA-N 340.467 4.552 0 50 EJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1Cl 370830 QNMZBHOTXBXYLT-UHFFFAOYSA-N 337.828 4.564 0 50 EJAA COc1ccc(-c2c(Cc3ccccc3)nn3c(C)cc(C)nc23)cc1 432405 WLGKDFGTLLVMMY-UHFFFAOYSA-N 343.430 4.613 0 50 EJAA CCn1c(SCc2cccc(F)c2)nc2sc(C)c(C)c2c1=O 528197 CEXRKHUBUNNMLX-UHFFFAOYSA-N 348.468 4.526 0 50 EJAA COc1ccc(C)c2c1C1=C(C2)C2=CCC[C@@H](OC(C)=O)[C@@]2(C)CC1 1068869 RPIUTHWGJMGJLV-IRLDBZIGSA-N 338.447 4.765 0 50 EJAA O=C(Nc1cccc(Cl)c1)OCCOc1ccccc1Cl 2893379 QSMWUBBXBPCZBS-UHFFFAOYSA-N 326.179 4.621 0 50 EJAA CC(=O)c1ccc(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)cc1 4981190 KLCNIKLILHLHJV-UHFFFAOYSA-N 342.527 4.616 0 50 EJAA COc1ccccc1[C@H](CC(=O)c1ccccc1)[C@H]1CCCCC1=O 5016802 ZVJXAYGMMPCTCX-IEBWSBKVSA-N 336.431 4.811 0 50 EJAA COc1cccc([C@@H](C)NC(=S)Nc2cccc3ccccc23)c1 13932528 IHWBLCAILRXXIL-CQSZACIVSA-N 336.460 4.896 0 50 EJAA Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccccc2)s1 15867083 YWXQQPPDTXHWFF-KRWDZBQOSA-N 328.481 4.883 0 50 EJAA O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1cccc(F)c1 36620400 ZGJVUZKQPXWCAT-KRWDZBQOSA-N 335.781 4.524 0 50 EJAA Cc1cc2cc(NC(=O)N3CCCC[C@@H]3c3cccnc3)ccc2o1 95509030 LYVQGSKNWSKQRE-GOSISDBHSA-N 335.407 4.895 0 50 EJAA Cc1ccc2ccccc2c1NC(=O)N(C)CCC[C@H]1CCCO1 299801999 ZVBUIEUSIUBKBA-KRWDZBQOSA-N 326.440 4.571 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(c1nc3ccc(Cl)cc3s1)C2 1704341125 PYEWRHXPUZNKAW-NVXWUHKLSA-N 336.888 4.735 0 50 EJAA COC(=O)c1sc(Sc2ccccc2)c2c1CC(C)(C)CC2=O 2080317940 LBSCPOPDUJODNO-UHFFFAOYSA-N 346.473 4.841 0 50 EJAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1 459915 BNPWCUPTMKPJIM-UHFFFAOYSA-N 348.368 4.948 0 50 EJAA O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)Nc1ccccc1F 1250782 XZRCFJLTCPDNAO-UHFFFAOYSA-N 348.790 4.642 0 50 EJAA COC(=O)c1cc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 1392860 QFEXHXGHJCODJP-UHFFFAOYSA-N 345.807 4.594 0 50 EJAA Cc1cc(OCc2ccc(C(=O)NC3CCCC3)cc2)ccc1Cl 4833034 CUDDLMMJGILAEB-UHFFFAOYSA-N 343.854 4.900 0 50 EJAA C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCO[C@@H]1C(C)(C)C 225605896 GUTFVXSRNNWZBU-LXZKKBNFSA-N 343.433 4.677 0 50 EJAA COc1cc2ccc(CSc3ccc(O)cc3)cc2cc1OC 1875323123 YEFYIOWYLKRLMJ-UHFFFAOYSA-N 326.417 4.855 0 50 EJAA CCOc1ccccc1NC(=O)COc1cc(C)ccc1C(C)(C)C 133525 VNFADVOEQDLYTK-UHFFFAOYSA-N 341.451 4.709 0 50 EJAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCCC3)n2)cc1 209781 ZPDQLQGGOFWHHU-UHFFFAOYSA-N 345.446 4.728 0 50 EJAA O=C(Nc1ccc(F)cc1F)c1cccc(OCc2ccccc2)c1 309909 LPSJPHJVOGRTMQ-UHFFFAOYSA-N 339.341 4.796 0 50 EJAA O=C(NC1CCCCC1)c1cccc(COc2ccc3c(c2)CCC3)c1 467633 LDWSHUZOYSNAQK-UHFFFAOYSA-N 349.474 4.817 0 50 EJAA COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 858814 YTIYXMBBCRMECQ-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 5763635 VIPPBETYPPIQQW-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA CCCCCCc1cc(C(=O)Nc2cccc(Cl)c2)nc(S)n1 6397215 APUKNAROHFANHJ-UHFFFAOYSA-N 349.887 4.794 0 50 EJAA Cc1cc(Nc2ccncc2)n2nc(C)c(-c3ccccc3Cl)c2n1 7572464 LLRHQEDEAOKTPS-UHFFFAOYSA-N 349.825 4.805 0 50 EJAA Cc1cc(Cl)cc(Cl)c1OCCCCN1C[C@H](C)O[C@H](C)C1 16247609 IHHCNZDGHQJZAX-OKILXGFUSA-N 346.298 4.570 0 50 EJAA Fc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 55543895 KSUGIETURQBMTK-UHFFFAOYSA-N 346.449 4.815 0 50 EJAA NCCCCn1cnc(-c2ccccc2)c1-c1cccc2cnccc12 65536191 KTNVZNWNRKMFNE-UHFFFAOYSA-N 342.446 4.504 0 50 EJAA FC1(F)CCCN(c2ccc(Br)cc2C(F)(F)F)C1 169725690 UUSUHGZLRZVCPY-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA Clc1ccc(N=c2[nH]c(-c3ccc4c(c3)CCC4)cs2)cn1 2325823946 JKORQFAOZLGFHQ-UHFFFAOYSA-N 327.840 4.513 0 50 EJAA CCC[C@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 114940 DQCZCIOEXSBBNB-UGSOOPFHSA-N 330.453 4.774 0 50 EJAA biogenic CC(C)(C)c1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1 2215248 UIRQCHLWHRLOAI-UHFFFAOYSA-N 334.467 4.684 0 50 EJAA CCOc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 3039016 LRBUBUHAIVWLPS-UHFFFAOYSA-N 331.415 4.856 0 50 EJAA O=C(Nc1ccccc1F)c1cc2cc(Br)ccc2o1 4867524 BMWZRIFAQARURP-UHFFFAOYSA-N 334.144 4.587 0 50 EJAA COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(C)nc32)cc1 20602990 QQZRBUGWSAAWPQ-UHFFFAOYSA-N 329.350 4.553 0 50 EJAA CC[C@H]1C[C@@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 465293884 GSOUIAAFSLOBMU-OCCSQVGLSA-N 348.899 4.653 0 50 EJAA COc1ncc(C)cc1NC(=O)c1csc(C2CCCCC2)c1 1435448866 ITDACOGFCHNWAV-UHFFFAOYSA-N 330.453 4.760 0 50 EJAA CCOc1cc(NC(=O)N(C)c2ccc(OC)c(Cl)c2)ccc1C 1476581458 GNJNREFFNFLSEO-UHFFFAOYSA-N 348.830 4.724 0 50 EJAA Cc1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 191840 KRVBSFGGCJIVAP-UHFFFAOYSA-N 347.237 4.620 0 50 EJAA O=Cc1cc(Cl)ccc1OC(=O)c1cc(Cl)ccc1Cl 312796 FGYHVSRPLCHEJJ-UHFFFAOYSA-N 329.566 4.679 0 50 EJAA O=C(Cc1cccc2ccccc12)Nc1nc2ccc(F)cc2s1 1061681 LUWPZKLWVQHMDI-UHFFFAOYSA-N 336.391 4.770 0 50 EJAA CC[C@]1(C)C[C@](CCNCc2ccco2)(c2ccccc2)CCO1 1809905 APRDXPRFHJTFDV-NHCUHLMSSA-N 327.468 4.676 0 50 EJAA biogenic CC[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 4520041 QQHOZSUTJNAMJZ-SNVBAGLBSA-N 336.844 4.638 0 50 EJAA Fc1cccc([C@H]2CCCCN2Cc2nc(-c3ccccc3)no2)c1 12021875 HFPCTVQNUOKYPY-GOSISDBHSA-N 337.398 4.603 0 50 EJAA c1ccc(CN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 19536184 LFXVGFMQTNLFAV-UHFFFAOYSA-N 342.486 4.671 0 50 EJAA COc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn23)cc1 72117766 AWFISUVZUMFXOZ-UHFFFAOYSA-N 335.794 4.725 0 50 EJAA O=C(c1ccc(-c2ccc(F)cc2)o1)N(CC1CC1)c1cccnc1 135569967 QONQVHPPMOSNOS-UHFFFAOYSA-N 336.366 4.538 0 50 EJAA CCCC[Sn](/C=C/CO)(CCCC)CCCC 170018641 ODLVTDCSVYRSPD-UHFFFAOYSA-N 347.131 4.923 0 50 EJAA CC(C)OCc1cc(NC(=O)/C=C2/CCCCC2(C)C)ccc1O 328596476 SXTIVWJJMRHDPM-VBKFSLOCSA-N 331.456 4.782 0 50 EJAA O=C(Oc1ccccc1Oc1ccccn1)c1cncc2ccccc12 748678155 SEWMKOFXMMKQGQ-UHFFFAOYSA-N 342.354 4.641 0 50 EJAA Cc1ccc2[nH]c(C(=O)N3CC=C(c4ccccc4)C3)c(Cl)c2c1 1320767436 DPMGWSWFOKRJFU-UHFFFAOYSA-N 336.822 4.669 0 50 EJAA Cc1cc(O)c(Cl)cc1-c1ccc(C(=O)N2CCCCC2)cc1 1772708359 BMGSKZBRCXJPGI-UHFFFAOYSA-N 329.827 4.647 0 50 EJAA CCCC[C@@H](COC)NC[C@H](c1ccc(F)cc1Cl)C(F)F 2325855564 GLEXQTSYHHWMCG-GXTWGEPZSA-N 337.813 4.623 0 50 EJAA Cc1cc2c(cc1C)[C@H](c1ccc(OC(F)(F)F)cc1)CC(=O)N2 89741 YQFPXBPNRMEFPL-AWEZNQCLSA-N 335.325 4.676 0 50 EJAA O=C1O[C@H](c2ccc(F)cc2)C2(CCCCC2)C(=O)C12CCCCC2 89805 LPZPFNMMDIKXPH-QGZVFWFLSA-N 344.426 4.894 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1C 316560 AXOZLPVYVFVVSQ-UHFFFAOYSA-N 331.415 4.573 0 50 EJAA aggregator O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1 381851 KMDBFQBVVBWLTA-UHFFFAOYSA-N 326.446 4.541 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)N1N=CC[C@H]1c1ccccc1 551279 ZJIWKFBALDEBDW-HNNXBMFYSA-N 334.206 4.958 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 569383 OIGDVWIBADDBSC-UHFFFAOYSA-N 328.843 4.891 0 50 EJAA Cc1cc(C)c(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1C 20783774 XWKIVFFXDMUBPM-QGZVFWFLSA-N 346.478 4.623 0 50 EJAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 23231369 RWMZTJPKYORNEA-MRXNPFEDSA-N 331.891 4.641 0 50 EJAA CC[C@H](c1ccncc1)n1cc(-c2cccc(Cl)c2Cl)nn1 91915508 NAPLVHQXCGLUQE-OAHLLOKOSA-N 333.222 4.646 0 50 EJAA Cc1cccc([C@@H](NCc2cnc3nc(C)cc(C)n23)C(C)(C)C)c1 157443246 AZPOUILNWFKQCX-LJQANCHMSA-N 336.483 4.532 0 50 EJAA CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1 170624631 JGLZFLDOPSAYFQ-SJORKVTESA-N 347.336 4.650 0 50 EJAA Cc1nn(C)c(C)c1C(=O)Nc1ccc(Cl)cc1-c1ccccc1 241383417 MVFIOQUGBLMZNQ-UHFFFAOYSA-N 339.826 4.610 0 50 EJAA O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 210221 WTPKUPZQOANMBU-QFIPXVFZSA-N 340.426 4.607 0 50 EJAA biogenic Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 245707 ZOUYNDLOXNGOGV-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA Cc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 412534 FKYGDFZKRAQOII-UHFFFAOYSA-N 342.489 4.900 0 50 EJAA O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 453482 NXUFPRIGXOFHPM-UHFFFAOYSA-N 343.593 4.687 0 50 EJAA Cc1ccccc1N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 5711712 MQQVVHZGOVUEQB-XNTDXEJSSA-N 329.808 4.889 0 50 EJAA Oc1ccc(Cl)cc1-c1cc(-c2ccc(Br)cc2)n[nH]1 8972896 SCWVEXBFZVZYSH-UHFFFAOYSA-N 349.615 4.865 0 50 EJAA Cc1ccc(-c2cncnc2[C@@H]2CCCN(Cc3cccs3)C2)cc1 20785789 CIVZJCGLRFTDQU-GOSISDBHSA-N 349.503 4.893 0 50 EJAA COc1cc(Oc2ccnc3ccccc23)ccc1CN1CCCC1 67881436 ORWXAPXXYYLCPF-UHFFFAOYSA-N 334.419 4.632 0 50 EJAA Cc1cccc(-c2cncc(C(=O)Nc3c(C)cc(C)nc3C)c2)c1 122392794 DDZWDHMPDDNARY-UHFFFAOYSA-N 331.419 4.630 0 50 EJAA CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)[C@H](O)CO 209935018 CGIHFIDULQUVJG-VNTMZGSJSA-N 330.553 4.530 0 50 EJAA in-vitro O=C(Nc1ccc(F)cc1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245240208 NLTXPOMUPHQBKJ-ZSAUSMIDSA-N 342.241 4.620 0 50 EJAA CC(C)c1ccc(F)c(C(=O)NCC[C@@H]2CCc3ccccc32)c1 2325864269 KVUKPMCQQNNWRL-INIZCTEOSA-N 325.427 4.799 0 50 EJAA CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 205125 UDDOZWWBHVIGDS-UHFFFAOYSA-N 349.434 4.749 0 50 EJAA COc1ccc2nc(NC(=O)Nc3ccc(SC)cc3)sc2c1 401871 QCNALOFINVIIJJ-UHFFFAOYSA-N 345.449 4.671 0 50 EJAA NC(=O)N[C@H](CC(c1ccccc1)c1ccccc1)c1ccccc1 758891 DIWQJEIQQVUVFH-OAQYLSRUSA-N 330.431 4.618 0 50 EJAA COc1cc(OC)c(NC(=O)c2oc3ccccc3c2C)cc1Cl 1056486 OQCALHWZEBTUKF-UHFFFAOYSA-N 345.782 4.664 0 50 EJAA Cc1ccccc1NC(=O)OCCOc1ccc(Cl)cc1Cl 2171727 ZQECPMNJWGLFHN-UHFFFAOYSA-N 340.206 4.929 0 50 EJAA Cc1ccc(-c2c[nH]cc2C(=O)c2ccc(Br)cc2)cc1 3105289 BNOQLCFIHCHQEO-UHFFFAOYSA-N 340.220 4.984 0 50 EJAA CC(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 4841678 LUGCAHNSSPQJSQ-UHFFFAOYSA-N 338.794 4.704 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1 64984552 UGCLRDCVVFERSZ-QGZVFWFLSA-N 343.427 4.566 0 50 EJAA Cc1ccccc1C(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccco1 408525620 JYGIUDNFAGZZPQ-FQEVSTJZSA-N 344.414 4.888 0 50 EJAA C[C@@H](NC(=O)c1sccc1C1CC1)[C@H]1CCCc2ccccc21 1875263252 KTTYUBOJQBOILL-CZUORRHYSA-N 325.477 4.864 0 50 EJAA Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(C)c2oc1=O 453812 KWDVPGLJXFGGNF-UHFFFAOYSA-N 328.795 4.951 0 50 EJAA CCc1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 6701697 MKZWKMXEQQUTKH-UHFFFAOYSA-N 348.402 4.655 0 50 EJAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(C)c3)c2C)c1 13331479 ZIHNPHBLYMRGTG-UHFFFAOYSA-N 348.450 4.809 0 50 EJAA COc1cc(C)c(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1C(C)C 15010667 DNUSWSHYOCCORA-MFOYZWKCSA-N 347.480 4.819 0 50 EJAA Cc1ccc(CNC(=S)Nc2cccc(Cl)c2Cl)cc1 17066568 YHRXKPMHEFZGAU-UHFFFAOYSA-N 325.264 4.788 0 50 EJAA COc1ccc2ccccc2c1CN1CCCC[C@H]1c1cccnc1 22023194 LANDPAARNHPNHM-NRFANRHFSA-N 332.447 4.971 0 50 EJAA Cc1coc(-c2cc(NC(=O)c3ccc(Cl)s3)ccc2C)n1 120706504 OKYCRCHUTAPDAP-UHFFFAOYSA-N 332.812 4.926 0 50 EJAA CC(C)c1ccc(C2(O)CCC(Nc3cccc(CO)c3)CC2)cc1 816586704 QAXGJGBWAUSZBW-UHFFFAOYSA-N 339.479 4.545 0 50 EJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCCCCC1 131085 VETICRPDGQKLNK-NTCAYCPXSA-N 335.447 4.681 0 50 EJAA CCOC(=O)c1cnc2c(CC)cccc2c1NCCc1ccccc1 131531 DIOQNHMOQGKLMN-UHFFFAOYSA-N 348.446 4.629 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 296956 XMNYCVNTFQRQFH-UHFFFAOYSA-N 344.410 4.863 0 50 EJAA COc1ccc(C)cc1NC(=O)CSCc1ccc(Cl)cc1 453624 PMFZGKPGLVZKHB-UHFFFAOYSA-N 335.856 4.529 0 50 EJAA Cc1ccccc1CSCC(=O)Nc1ccc(C(F)(F)F)cc1 609533 BHWSOMBVOWYLIT-UHFFFAOYSA-N 339.382 4.886 0 50 EJAA C[C@H](c1ccccc1)n1cnc2cc(NC(=O)c3cccs3)ccc21 614262 CNZQAIAPXZMPMT-CQSZACIVSA-N 347.443 4.959 0 50 EJAA Cc1nnc(SCCCC(=O)c2ccc(C(C)(C)C)cc2)s1 2884138 PDKGMIZMVYLJSQ-UHFFFAOYSA-N 334.510 4.899 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1 4819911 JRZWFEWEQFPSCD-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA Cc1ccc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)cc1 10156622 AZEGBBUJUTWSOC-ZDUSSCGKSA-N 335.432 4.503 0 50 EJAA C/C(=C\c1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1 23281959 WMYKTASWDBAVTK-BMRADRMJSA-N 326.871 4.566 0 50 EJAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2)c2nccs2)C1(C)C 170621206 OCCKDBGGTURBEV-ZACQAIPSSA-N 340.492 4.587 0 50 EJAA CC[C@@H](OC1CCCCC1)c1nc(COc2ccccc2F)no1 809231443 UGZAOOAJDRKZIR-OAHLLOKOSA-N 334.391 4.588 0 50 EJAA Cc1ccc(-c2csc(NC(=O)c3cccn3C3CC3)n2)s1 1529151920 HHGQXEYWABCYRU-UHFFFAOYSA-N 329.450 4.569 0 50 EJAA COc1cc(C)nc(COC(=O)CC2CCC(C(C)(C)C)CC2)c1 1875332823 MVKXIQHKIYTFJY-UHFFFAOYSA-N 333.472 4.684 0 50 EJAA COc1ccc2c(Cl)c(C(=O)N(C)Cc3ccccc3)sc2c1 38640 XTRMEYDUCVBSDK-UHFFFAOYSA-N 345.851 4.836 0 50 EJAA C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nc2ccccc12 102324 SSNAQHSCSLMQSL-INIZCTEOSA-N 330.431 4.916 0 50 EJAA Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 150806 BFJLFLPJDRHTKJ-OAHLLOKOSA-N 331.843 4.980 0 50 EJAA Cc1cc(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc12 210994 ZWACHLIERAPTLR-UHFFFAOYSA-N 342.851 4.927 0 50 EJAA CCc1cc(=O)oc2cc(OCc3ccccc3OC)c(Cl)cc12 315056 NFFCSAXSUZQQSU-UHFFFAOYSA-N 344.794 4.596 0 50 EJAA biogenic Cc1nc2cc(NC(=O)Nc3ccc(Br)cc3)ccc2o1 470379 HEESUECCBGAOKG-UHFFFAOYSA-N 346.184 4.543 0 50 EJAA Cc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 527141 DFMNBKRRZYMOEZ-UHFFFAOYSA-N 336.398 4.920 0 50 EJAA CCOC(=O)c1c(-n2cccc2)c2ccccc2n1Cc1ccccc1 1400595 SHVQGVREBHLASW-UHFFFAOYSA-N 344.414 4.657 0 50 EJAA CCCCNCCCCCCOc1ccccc1Br 2902169 BUJZFSSXFZUCBA-UHFFFAOYSA-N 328.294 4.778 0 50 EJAA CC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1(Cl)Cl 4098947 RXDMAYSSBPYBFW-PKFCDNJMSA-N 334.674 4.737 0 50 EJAA biogenic,in-vivo Cc1c(C=O)cc2c(c1C)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C 4812089 QZRNZGINERXWAP-QFIPXVFZSA-N 333.431 4.645 0 50 EJAA Cc1cc(Cl)c(OCCN2CCC(C)CC2)c(Br)c1 4845337 MWCWRCGJJILNFL-UHFFFAOYSA-N 346.696 4.522 0 50 EJAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCC2)cc1 10433880 AJXGTKMRNKVYDU-UHFFFAOYSA-N 348.368 4.554 0 50 EJAA c1ccc2c(c1)CC[C@H]2NCc1c[nH]nc1-c1cc2ccccc2o1 12434311 ABPZFWYSAZFVOZ-GOSISDBHSA-N 329.403 4.600 0 50 EJAA Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(F)cc2F)c1 17067185 DUHKGKBHHKJJSV-UHFFFAOYSA-N 328.265 4.519 0 50 EJAA Cc1ccc(F)cc1NC(=S)Nc1ccccc1C(F)(F)F 17067205 VWNZQGDQGBVTLA-UHFFFAOYSA-N 328.334 4.962 0 50 EJAA CCOc1ccc2nc(NC(=O)c3csc(CC)c3)sc2c1 20607068 JJZQKEMQFJEVJZ-UHFFFAOYSA-N 332.450 4.571 0 50 EJAA Cc1ccc2nc(-c3ccccc3OCCCCn3ccnc3)[nH]c2c1 67727358 SAEBBZALVWLDPA-UHFFFAOYSA-N 346.434 4.594 0 50 EJAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nn1 72117495 QTNKSHARWVVUBU-UHFFFAOYSA-N 348.406 4.838 0 50 EJAA Cc1ccc(-c2nc(CNc3ccc(-c4cnco4)cc3)co2)cc1 119760178 JOOLNCAGBOPDHC-UHFFFAOYSA-N 331.375 4.917 0 50 EJAA O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@]2(CC=CCC2)C1 225432013 AJINTEZIGPGTJZ-ZMSDIMECSA-N 344.421 4.639 0 50 EJAA COc1ccc2c(c1F)CC[C@@H]2Nc1cccc(-c2ncc(C)o2)c1 675913800 UNQKRTHJZWLJDM-KRWDZBQOSA-N 338.382 4.897 0 50 EJAA CC(C)(C)c1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1 921000066 GPCWNNQLBPWXJW-UHFFFAOYSA-N 337.448 4.755 0 50 EJAA Cc1ccncc1/C=C/C(=O)Nc1ccc(C2SCCS2)cc1 2325732308 OLZKNHWENAAXQB-QPJJXVBHSA-N 342.489 4.521 0 50 EJAA O=C(C1c2ccccc2Oc2ccccc21)N1CCc2ccccc21 182623 WBTRIIKAUZBWGE-UHFFFAOYSA-N 327.383 4.514 0 50 EJAA CC(=O)c1ccc(NC(=O)c2ccc(Cc3ccc(C)cc3)o2)cc1 209578 FULYXAIGAXWZNC-UHFFFAOYSA-N 333.387 4.634 0 50 EJAA O=C(Nc1nccs1)[C@H](Sc1ccccc1)c1ccccc1 337692 ZUZOVIWBZLOKNM-OAHLLOKOSA-N 326.446 4.615 0 50 EJAA Brc1ccc(OCCCCCCN2CCCCC2)cc1 2494220 DIDVZGJVRVVQBM-UHFFFAOYSA-N 340.305 4.874 0 50 EJAA O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccc(F)cc1F 2854688 XYZGMZMTFCLQDP-UHFFFAOYSA-N 345.393 4.595 0 50 EJAA Cc1ccc([C@@H]2C=C(C34CC5CC(CC(C5)C3)C4)NC(=S)N2)cc1 3903848 APOWLLQBHHRLRK-CARYKQCGSA-N 338.520 4.614 0 50 EJAA Cc1nc(SCc2nc3ccccc3[nH]2)cc(-c2ccccc2)n1 11906273 PUZQXZDSMZRKKJ-UHFFFAOYSA-N 332.432 4.621 0 50 EJAA Clc1ccc(N2CCN(Cc3cccc4ccccc34)CC2)cc1 19537289 LDMLGWZGJOFCOV-UHFFFAOYSA-N 336.866 4.815 0 50 EJAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccncc1 22135460 RXXQZMBRMGBEQC-UHFFFAOYSA-N 348.793 4.531 0 50 EJAA Cc1cccc(-c2ncc(CN[C@H](C)c3ccccc3Cl)cn2)c1 55371215 MQGARODGEBRFJU-OAHLLOKOSA-N 337.854 4.956 0 50 EJAA CC[C@H](Sc1nnc(-c2ccncc2)o1)c1ccc(F)cc1F 133204653 GHISYKIXRIYMJM-AWEZNQCLSA-N 333.363 4.653 0 50 EJAA CCc1cc2c(Sc3ncc(-c4ccccc4)[nH]3)ncnc2s1 1458091509 JOCKFVCHCJOILQ-UHFFFAOYSA-N 338.461 4.795 0 50 EJAA CCCC[C@H](CCC)NC(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1469181700 GCFOSTTWCTWQBZ-DZKIICNBSA-N 334.426 4.719 0 50 EJAA CCSc1nnc(Sc2nc3ccc(F)cc3s2)s1 1875341707 DOZSJZCOTPHZHV-UHFFFAOYSA-N 329.472 4.550 0 50 EJAA Cc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 370777 QFHCQFFGABGLNM-UHFFFAOYSA-N 325.339 4.558 0 50 EJAA O=C(NC1CCCC1)c1ccc(CSCc2ccccc2)cc1 443755 RBNMXTLZTNCUER-UHFFFAOYSA-N 325.477 4.792 0 50 EJAA COc1cc(OC)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 456411 HILMCFXERUDDKL-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 459823 LQNLNRUYRXYAMU-UHFFFAOYSA-N 336.204 4.964 0 50 EJAA O=C(N1CCCCCC1)C(Cl)(c1ccccc1)c1ccccc1 1457144 IRRSPRAMHDBOSI-UHFFFAOYSA-N 327.855 4.572 0 50 EJAA CCCCc1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1 1775917 PCOFPVSKYSKCDG-UHFFFAOYSA-N 325.452 4.972 0 50 EJAA O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccs1 1977914 MRDQSOZRIXPBPM-UHFFFAOYSA-N 348.379 4.741 0 50 EJAA biogenic,in-vitro C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1 2833297 JQGRDGDZXSCURJ-SNVBAGLBSA-N 338.632 4.845 0 50 EJAA COc1ccc2c(Cl)c(C(=O)N[C@@H](C)C(C)(C)C)sc2c1 2872865 JZLYMCJKKWZTPZ-VIFPVBQESA-N 325.861 4.728 0 50 EJAA Cc1cc(C)c(OCCN(C)Cc2ccccc2)c(Br)c1 4913378 SIBQPTPZFXIELI-UHFFFAOYSA-N 348.284 4.577 0 50 EJAA COc1ccc(C)cc1NC(=O)CSCc1ccccc1Cl 5123753 RWHGZQNLCFIANP-UHFFFAOYSA-N 335.856 4.529 0 50 EJAA O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 13634868 PBTOPWOJUMGLGZ-TWGQIWQCSA-N 341.370 4.542 0 50 EJAA CCC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1 299773368 GBSBCOFRTKCIFY-LJQANCHMSA-N 343.854 4.648 0 50 EJAA Cc1ccc([C@H]2CCCCN2C(=O)NCCc2ccccc2C)cc1 1685376599 SOMVUETWMALBQO-OAQYLSRUSA-N 336.479 4.783 0 50 EJAA Cc1ccc(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 178421 GIALTJFRWWDURV-OQLLNIDSSA-N 332.186 4.646 0 50 EJAA COc1ccc(O)cc1-c1nc2ccccc2nc1-c1ccccc1 260775 RJEFAVKVDANGLL-UHFFFAOYSA-N 328.371 4.678 0 50 EJAA COc1cc(CN2CCCCCC2)ccc1OCc1ccccc1 277697 KUIWZXUBBSVGAL-UHFFFAOYSA-N 325.452 4.650 0 50 EJAA Clc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 442858 UZPFCJFMWDPDJT-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA in-vitro CCC(CC)C(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 614936 VUCUFCPPCXLODX-HNNXBMFYSA-N 338.451 4.552 0 50 EJAA Cc1ccc2c(c1)CCCN2C(=O)c1c(-c2ccccc2)noc1C 1055947 UNRICVZNQQBBPS-UHFFFAOYSA-N 332.403 4.551 0 50 EJAA Cc1ccc(-c2c[n+]3c(n2-c2ccccc2)CCc2ccccc2-3)cc1 5740442 MMKXOWWZWFUIDO-UHFFFAOYSA-N 337.446 4.828 0 50 EJAA N#Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 117174243 FSPZKQBDPWCVGG-UHFFFAOYSA-N 335.410 4.595 0 50 EJAA in-vitro Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3Cl)cc2o1 225401432 DFQBZVVBTMGSKM-KRWDZBQOSA-N 340.810 4.767 0 50 EJAA C[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cc(F)cc(F)c1 242389503 ZXSVJCXXEVBMIH-MRFFXTKBSA-N 347.405 4.820 0 50 EJAA CC(C)[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253607818 HSPBAJZIILLPKZ-XYRDAXTESA-N 330.512 4.761 0 50 EJAA C[C@@H]1N(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)CCC1(C)C 426478011 NNGDSXULCYOZBV-LBPRGKRZSA-N 345.389 4.598 0 50 EJAA Oc1ncc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)c2ccccc12 1473168768 RMWVOZLZZQGCNW-LJQANCHMSA-N 340.373 4.556 0 50 EJAA Cc1ccc([C@H](C)NC(=O)c2cccnc2SC2CCCC2)cc1 1875253693 LVGOCKPROJVEPC-HNNXBMFYSA-N 340.492 4.916 0 50 EJAA c1csc(-c2cc(Nc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)ncn2)c1 1875359204 XVBZUMORCSLMKI-YOEHRIQHSA-N 348.475 4.937 0 50 EJAA Cc1ccc(NC(=O)c2ccc(OC(=O)C3CCCCC3)cc2)cc1 132040 UMSFOKOIZYARBI-UHFFFAOYSA-N 337.419 4.733 0 50 EJAA CC(C)c1ccccc1NC(=O)COc1ccccc1Br 141193 YTSQQJHVTMRYOH-UHFFFAOYSA-N 348.240 4.590 0 50 EJAA CC(=O)c1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1 147127 LFOMTLITDFZUTI-CMDGGOBGSA-N 334.202 4.848 0 50 EJAA COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1OC 180288 WYZCLHSUCWYLIC-UHFFFAOYSA-N 344.414 4.769 0 50 EJAA O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 1002849 GBOZTWWZWXXTPA-UHFFFAOYSA-N 328.626 4.506 0 50 EJAA CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2464633 IXUXKGLITJWUHJ-UHFFFAOYSA-N 330.387 4.564 0 50 EJAA Cc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)no1 2503188 HEBURSMXCSPMGE-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA CN(C)c1sc(C(=O)c2ccc(F)cc2)cc1-c1ccccc1 3015899 BDEFBKLOPCIYLJ-UHFFFAOYSA-N 325.408 4.851 0 50 EJAA CCCCn1nc(C)c2c(C(F)F)cc(-c3cnn(CC)c3C)nc21 8782661 BWOSDHPETDKFGO-UHFFFAOYSA-N 347.413 4.669 0 50 EJAA Cc1c(C)n(C2CCCCC2)c2ncnc(NCc3ccccn3)c12 8993682 SIMJMNAQNOJMDN-UHFFFAOYSA-N 335.455 4.560 0 50 EJAA CCc1sc(C(=O)O)cc1-c1cccc([C@@H](C)N2CCCC2)c1 67587661 QPXAAPVJNHEEHP-CYBMUJFWSA-N 329.465 4.833 0 50 EJAA O=C(c1cncc(F)c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 177640252 JPSDCQGTXZCGDZ-HNNXBMFYSA-N 339.197 4.505 0 50 EJAA O=c1c2cc(Cl)cc(Cl)c2nc2n1CC/C2=C\c1ccsc1 220715183 UGFKGCPJWLQQOF-BJMVGYQFSA-N 349.242 4.709 0 50 EJAA CCOc1ccccc1-c1nc(-c2ccc3c(c2)OCO3)cs1 239637007 BIFHAIHOOPCHOL-UHFFFAOYSA-N 325.389 4.605 0 50 EJAA COC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 1772588277 ZJWVIZJOTTXJSA-RXCZXEIFSA-N 334.500 4.747 0 50 EJAA O=C(Nc1cnc2c(F)cccc2c1)[C@@]12CCCC[C@@H]1CC(F)(F)C2 1875328629 CMOXZVZLOHSVQI-FZKQIMNGSA-N 348.368 4.918 0 50 EJAA CC(C)O[C@@H](CN[C@@H]1CCSc2ccccc21)c1ccccc1 2325829393 IXLZJZGTFMMRLU-MOPGFXCFSA-N 327.493 4.979 0 50 EJAA O=C(Nc1ncc(-c2ccccc2)o1)c1ccccc1SC(F)F 2325861868 AWNHRIRDFPZDIM-UHFFFAOYSA-N 346.358 4.909 0 50 EJAA COc1cccc2ncnc(Nc3cc(C)cc(N4CCCCC4)c3)c12 2325872202 MAMLAYGNYICMAW-UHFFFAOYSA-N 348.450 4.681 0 50 EJAA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)cc1 70040 LYXPSDAPBZZZRY-HXUWFJFHSA-N 348.377 4.605 0 50 EJAA O=C(CSc1ccccn1)N1c2ccccc2CCc2ccccc21 80745 ZEBSOKREEKEGRZ-UHFFFAOYSA-N 346.455 4.637 0 50 EJAA CCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 132010 NRYAZAJOIJQPKH-UHFFFAOYSA-N 338.234 4.963 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(F)c1 194242 NGFJJQIPHTVNSA-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA O=c1oc(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 207006 LDLRPEXVIWLUEH-UHFFFAOYSA-N 329.399 4.737 0 50 EJAA biogenic COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 209777 XCOWKBSNWNJRTP-UHFFFAOYSA-N 345.446 4.810 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1 282044 SJHXRMMNQDOTMJ-VXGBXAGGSA-N 338.234 4.638 0 50 EJAA COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1 423649 NETQPPUUZKXKGC-UHFFFAOYSA-N 342.782 4.564 0 50 EJAA Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1Cl 454035 PMJJVNVOKRWCTH-UHFFFAOYSA-N 344.823 4.521 0 50 EJAA Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1Cl 468599 IEHNDSIFYVICNI-UHFFFAOYSA-N 348.880 4.989 0 50 EJAA Cc1ccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)cc1 613998 BBKYNAOKABXUCK-UHFFFAOYSA-N 335.407 4.697 0 50 EJAA CC(=O)c1cccc(OCc2cccc(C(=O)Oc3ccccc3)c2)c1 614044 VOAMMDZBJQEMJV-UHFFFAOYSA-N 346.382 4.687 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)C[C@H]1Sc2ccccc2N=C1O 1306373 CFRCNOOOOCTHAT-OAHLLOKOSA-N 346.839 4.740 0 50 EJAA Cc1cccc(OCCCC(=O)Nc2ccccc2Br)c1 1904177 DASPXLOUZMIAIB-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA CCCCOc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 2946653 GWIWHCAVQADAAB-UHFFFAOYSA-N 338.451 4.718 0 50 EJAA CCOc1cccc(OCCOc2ccc(Cl)cc2Cl)c1 2985667 IEBQWXAKZWGTOQ-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccs1 4512016 NUEOTQNQYIOANX-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA COc1ccc(Cl)cc1/C=C/c1nc2cc(Cl)ccc2c(=O)o1 4833343 CLMFBJACOPLNLT-FARCUNLSSA-N 348.185 4.674 0 50 EJAA COc1ccc([C@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 4844868 MMTOZKCNWITSRH-JOCHJYFZSA-N 345.442 4.534 0 50 EJAA CCCC[Sn](/C=C\CN)(CCCC)CCCC 196121991 XBVNSAUITMDMLJ-UHFFFAOYSA-N 346.147 4.890 0 50 EJAA C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 239275171 BGOONDJWFCOMKF-DOMZBBRYSA-N 334.872 4.566 0 50 EJAA Cc1ccc2[nH]nc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c2c1 1875254590 BSFDYYBNNYHSOF-UHFFFAOYSA-N 348.431 4.556 0 50 EJAA Cc1cc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)ccn1 1875328956 UYXFRSVUZIKDCA-INIZCTEOSA-N 328.419 4.878 0 50 EJAA C[C@H](NCc1cccc(C(C)(F)F)n1)c1ccc2cnccc2c1 2325777869 LHHMTYJDYSJYHZ-ZDUSSCGKSA-N 327.378 4.592 0 50 EJAA CC(C)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 463156 HGKUZMPDXCVUQY-UHFFFAOYSA-N 329.252 4.635 0 50 EJAA COc1cccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c1 1168477 DRDOIJXNVNEZIF-UHFFFAOYSA-N 341.410 4.875 0 50 EJAA O=C(NCCc1ccccc1)c1ccc(CSc2ccccc2)o1 2708442 DMLYDTPMMSYXJX-UHFFFAOYSA-N 337.444 4.544 0 50 EJAA COc1ccc(CC[C@@H](C)NCc2cccc(Br)c2)cc1 6667597 CDYLBYNFLUAGRB-CQSZACIVSA-N 348.284 4.569 0 50 EJAA Cc1ccc(C)c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1 15016413 NWNWRQUSVUHPND-NVNXTCNLSA-N 328.209 4.559 0 50 EJAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccccc1F 36620803 WDSXEFXHUONQJI-MRXNPFEDSA-N 337.316 4.822 0 50 EJAA CCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C1CC1 47818677 LCBWCDNDUBMBBY-UHFFFAOYSA-N 326.179 4.703 0 50 EJAA CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 64985085 YYZJPIOBCDTUSF-MRXNPFEDSA-N 343.427 4.566 0 50 EJAA CCc1nn2c(-c3cccnc3)ccnc2c1-c1ccc(Cl)cc1 67630832 CBUHRHHFQMWMDY-UHFFFAOYSA-N 334.810 4.674 0 50 EJAA Cc1ccc([C@H]2CCCN2C(=O)C[C@H](C)c2c(C)n[nH]c2C)cc1C 119854921 QRXUUJYHSWLWDW-HNAYVOBHSA-N 339.483 4.501 0 50 EJAA CCC(CC)[S@@](=O)Cc1ccc(OC)c(SC(F)(F)F)c1 170643314 ISNLDBVUDAFPSI-NRFANRHFSA-N 340.432 4.744 0 50 EJAA CCC(=O)c1cccc(-c2ccc(C(=O)N3CCC[C@@H]3CC)cc2)c1 426387153 VVHVSHBJEZTWNW-FQEVSTJZSA-N 335.447 4.961 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(OC(F)F)cc1 952974487 ODSVHQAZVNTBBI-KRWDZBQOSA-N 348.393 4.687 0 50 EJAA CCSc1nc2ccccc2n1CCOc1ccc(Cl)cc1 112347 LRLVRGBJYNSZDG-UHFFFAOYSA-N 332.856 4.881 0 50 EJAA O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)c1ccccc1 283786 JATDQDOXJBXIFV-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA CCCCOc1ccc(C(=O)Nc2ccc(C(=O)CC)cc2)cc1 5590978 NWVFVHCWPNJLQA-UHFFFAOYSA-N 325.408 4.711 0 50 EJAA c1ccc(CCCN2CCN(Cc3cccc4ccccc34)CC2)cc1 19852790 POWWWHRWIDBTAX-UHFFFAOYSA-N 344.502 4.590 0 50 EJAA CCOc1cccc(CN(Cc2ccc3cccc(O)c3n2)C2CC2)c1 55243657 MJQAPROUUWDTGB-UHFFFAOYSA-N 348.446 4.504 0 50 EJAA FC(F)(F)c1cccnc1NCC[C@H]1CCCCN1C1CCCC1 670460116 LJORXNOBGXYVTP-OAHLLOKOSA-N 341.421 4.700 0 50 EJAA CN1CCc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)cc3)ccc21 1875334813 FQTDWHICZOCVMA-UHFFFAOYSA-N 329.399 4.711 0 50 EJAA COc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1 178155 MNJNKIGNPJCTCY-UHFFFAOYSA-N 335.384 4.592 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCO2 433995 VIFPBVMMGXWEAH-UHFFFAOYSA-N 345.398 4.576 0 50 EJAA CCCOc1ccc(-c2nc(N(CC)CC)c3ccccc3n2)cc1 1822356 TYAMZBWDFBINGV-UHFFFAOYSA-N 335.451 4.932 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 4247946 DISHQCOFOMIFBR-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA c1c[n+](C23CC4CC(CC(C4)C2)C3)cn1C12CC3CC(CC(C3)C1)C2 4291193 SAYJSSIMFYICKR-UHFFFAOYSA-N 337.531 4.626 0 50 EJAA COc1cccc(CNCc2cccs2)c1OCc1ccccc1 4488515 XNJSKRHJMKKXPJ-UHFFFAOYSA-N 339.460 4.626 0 50 EJAA CC(C)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 9172163 YBENXQCICQFTHN-UHFFFAOYSA-N 331.228 4.612 0 50 EJAA COC(=O)C1=C(CC(Cl)(Cl)Cl)CC[C@@H]1C(C)(C)Cl 45071505 FEHGKEQQTALQRK-QMMMGPOBSA-N 334.070 4.644 0 50 EJAA Clc1ccc(COc2ccc(-c3ccnc4ccnn34)cc2)cc1 71384684 BKIHHNAHSUYWRL-UHFFFAOYSA-N 335.794 4.629 0 50 EJAA C[S@@](=O)c1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1 121647645 WJVZBOREZIFIBL-DEOSSOPVSA-N 347.386 4.574 0 50 EJAA C[C@@H](Sc1nnc(-c2ccccn2)n1C)c1ccc(F)c(Cl)c1 124723922 UTPBZIWZMMTFSH-SNVBAGLBSA-N 348.834 4.523 0 50 EJAA CC(=O)N1CCc2cc(N[C@H](C)c3cccc(Cl)c3F)ccc21 184641206 XIEREYZEQDPTIM-LLVKDONJSA-N 332.806 4.561 0 50 EJAA O=C(Nc1ccc(Cl)c2ccncc12)[C@@H]1CCOC2(CCCC2)C1 907822167 UJHMJANQHZTELK-CYBMUJFWSA-N 344.842 4.566 0 50 EJAA CC(C)Cc1cc(C(=O)O)ccc1NC(=O)CC[C@@H]1C[C@H]2CC[C@H]1C2 2325817559 AWHQDQUNPRHJPR-HRCADAONSA-N 343.467 4.738 0 50 EJAA CCOc1cc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)ccc1O 381207 FAEVSFGYUYHIRA-QGZVFWFLSA-N 333.387 4.684 0 50 EJAA CC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl 4098949 RXDMAYSSBPYBFW-IMSIIYSGSA-N 334.674 4.737 0 50 EJAA biogenic,in-vivo O=C(c1cccs1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292160 PWSWLRXREJECHG-UHFFFAOYSA-N 346.814 4.783 0 50 EJAA Cc1nc(-c2ccccc2)sc1NC(=O)c1c(F)ccc(F)c1F 122135305 LEAKYIOBKWVDNB-UHFFFAOYSA-N 348.349 4.788 0 50 EJAA Clc1ccc(Oc2ccc(NC[C@H]3[C@H]4COCC[C@@H]43)cc2)cc1 2325863264 BTFPAZVTYYGBRE-QRVBRYPASA-N 329.827 4.827 0 50 EJAA O=c1c2ccccc2nc(SCc2ccccc2)n1C1CCCC1 292447 NYAKWLXFIZXGGS-UHFFFAOYSA-N 336.460 4.804 0 50 EJAA CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc(C)c1CC 433868 WADVQDNLTCTFER-UHFFFAOYSA-N 337.485 4.705 0 50 EJAA O=C(CSc1ccc2ccccc2n1)Nc1ccc(Cl)cc1 466027 ZBRVKTQMILECJJ-UHFFFAOYSA-N 328.824 4.619 0 50 EJAA COc1cc(OC)c(NC(=O)c2ccc(C)c(Cl)c2)cc1Cl 858782 YBGCNVQMXBCOCE-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc2ccccc12 16651300 LHBWNQWPFKGOKZ-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)OC 169800796 HFMWQXNBQUMFSZ-UHFFFAOYSA-N 340.634 4.504 0 50 EJAA in-vitro COc1ccccc1[C@@H]1CC[C@H](C)CN1c1nc2ccc(F)cc2o1 1458368393 CRZNZWRTTLAOPO-GUYCJALGSA-N 340.398 4.953 0 50 EJAA CCSc1nc2ccccc2n1Cc1ccccc1Br 309302 GHCLHCGRRZMMPW-UHFFFAOYSA-N 347.281 4.959 0 50 EJAA Cc1cc(C)cc(OCc2ccc(C(=O)Nc3ccccc3F)o2)c1 2775461 FCKDJEKJHDDQSI-UHFFFAOYSA-N 339.366 4.867 0 50 EJAA COc1ccccc1[C@@H](CC(=O)c1ccccc1)[C@@H]1CCCCC1=O 5016791 ZVJXAYGMMPCTCX-HKUYNNGSSA-N 336.431 4.811 0 50 EJAA CCCc1cc(-c2nnc(S)n2-c2cc(C)ccc2C)cs1 6493363 GKWBORWTDAUKNY-UHFFFAOYSA-N 329.494 4.854 0 50 EJAA CCc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 6701727 WTIQBRWCTABPHL-UHFFFAOYSA-N 348.402 4.655 0 50 EJAA C[Si](C)(C)N(c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C 169816640 ZPWNOIQOAYUEOZ-UHFFFAOYSA-N 327.445 4.858 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]34)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]34)O1 216399490 LVXICQLAEIUOJT-JZUDVXJJSA-N 344.520 4.708 0 50 EJAA COc1cc2c3c(c1)/C(=C\c1ccc(F)cc1)C(=O)N3C(C)(C)C=C2C 1740816423 FWBNCMPGVMZEJD-DJKKODMXSA-N 349.405 4.917 0 50 EJAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(F)c1 122439 SMYGGFWUJWMZOW-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 403530 INHDDLDQONYNHO-UHFFFAOYSA-N 339.778 4.671 0 50 EJAA in-vitro Clc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c(Cl)c1 406782 JONCMRSPKDOGRU-HOTGVXAUSA-N 345.233 4.731 0 50 EJAA O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCCC1 443716 GUFOXFGOAZJHND-UHFFFAOYSA-N 331.868 4.868 0 50 EJAA CCOc1ccccc1NC(=O)CSCc1ccccc1Cl 444040 VVTGEIWYIRUTDE-UHFFFAOYSA-N 335.856 4.611 0 50 EJAA O=C(CCCOc1ccccc1)Nc1nc(-c2ccccc2)cs1 1768363 OOHDIPSKLKIIPH-UHFFFAOYSA-N 338.432 4.608 0 50 EJAA CCc1ccc(OCCCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 1777415 VSCKCRXKFRFSQG-UHFFFAOYSA-N 347.842 4.709 0 50 EJAA COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccccc4)n32)c1 2544898 PGVXHPIBNUXIRS-UHFFFAOYSA-N 343.382 4.535 0 50 EJAA CCCOc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1 2925747 QQIKEEHMGPQKIK-UHFFFAOYSA-N 336.391 4.691 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Cl 2999955 SKYZUCAOUMELBE-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CC(C)COc1cccc(CN(C(=O)C2CCCCC2)C2CC2)c1 12052217 YCIAYVMNIWOLPR-UHFFFAOYSA-N 329.484 4.793 0 50 EJAA Cn1ncc2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 20603190 XCKPELXCMDIVCD-UHFFFAOYSA-N 328.149 4.880 0 50 EJAA FC(F)Oc1ccccc1COc1ccc(Br)cc1 86033332 UVRLVPSBFLSXKK-UHFFFAOYSA-N 329.140 4.630 0 50 EJAA Fc1cccc(-c2noc(C[C@H](c3ccccc3)C(F)(F)F)n2)c1 109605357 DPNJAHWVFGLGFH-CQSZACIVSA-N 336.288 4.764 0 50 EJAA CCc1nnc(CN[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)o1 181239246 YSVNNEQARGQWAP-KNQAVFIVSA-N 347.462 4.583 0 50 EJAA CC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2C[C@H]1[C@H](S(=O)(=O)c1ccccc1)C2 216472671 HZQZDBCTWMOUSK-IREHDKGXSA-N 340.488 4.542 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)CC(=O)C[C@H]32)C1 257346104 RAVPGOUPQFSNSA-XFYSECMLSA-N 332.484 4.530 0 50 EJAA CCCn1c(-c2ccc(Oc3cnccn3)cc2)nc2c(F)cccc21 438824629 FKNGZZRYABNHQS-UHFFFAOYSA-N 348.381 4.835 0 50 EJAA CCC(CC)[C@H]1CCN([C@@H](C(=O)O)c2ccc(C(F)(F)F)cc2)C1 1875282403 CDXGTKLKLNIYCR-GOEBONIOSA-N 343.389 4.589 0 50 EJAA O=C(Nc1cccc2c1CCNC2)c1csc(C2CCCCC2)c1 2325840805 RJRZTBSWSNUOEP-UHFFFAOYSA-N 340.492 4.694 0 50 EJAA CSc1cc(C)c(C(=O)OCc2c(Cl)ccc3cccnc23)o1 2325874165 CIJKKNCYEUVMPT-UHFFFAOYSA-N 347.823 4.869 0 50 EJAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1 134150 GYIATIVHZCVDOL-UHFFFAOYSA-N 346.814 4.779 0 50 EJAA CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C 307820 RGUGPYBGFLDYNY-UHFFFAOYSA-N 338.816 4.531 0 50 EJAA CC1CCC2(CC1)Nc1ccccc1C(=O)N2CCc1ccccc1 309855 JKLSWXFQZRMQIA-UHFFFAOYSA-N 334.463 4.703 0 50 EJAA O=C(Nc1c(F)c(F)cc(F)c1F)c1cc(Cl)ccc1Cl 2101439 IRBDDCBJLAOJKU-UHFFFAOYSA-N 338.087 4.802 0 50 EJAA Cc1ccc(OCCCCN2C[C@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 16247194 QABLTKMPCIUMRR-HDICACEKSA-N 333.516 4.561 0 50 EJAA c1ccc([C@H]2CCCN(Cc3cnc(N4CCCC4)s3)CC2)cc1 215410907 MOZVVQIKFOCBHN-SFHVURJKSA-N 341.524 4.513 0 50 EJAA CN(CCC[C@H]1CCCO1)C(=O)c1ccccc1Oc1ccccc1 219629771 MRTICTUSNMLONJ-KRWDZBQOSA-N 339.435 4.510 0 50 EJAA CCCC[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H](C2CC2)O1 1875244031 JHJBXFUSRYJECB-SJLPKXTDSA-N 325.855 4.649 0 50 EJAA Clc1cccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 149818 RBTNVMZRDIIANW-HNNXBMFYSA-N 339.826 4.541 0 50 EJAA Cc1ccc([C@@]2(CCNCc3ccco3)CCO[C@@H](C(C)C)C2)cc1 1867328 LWJUFUPLTBOXHQ-YADHBBJMSA-N 341.495 4.841 0 50 EJAA biogenic Cc1ccccc1-n1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S 5041736 GWBGKTQUCNJBER-UHFFFAOYSA-N 325.481 4.706 0 50 EJAA O=C(/C=C/c1ccc2ccccc2c1)N1C(=O)OC[C@@H]1c1ccccc1 25559058 UZZHONOIBXMLKU-VSFZPWCASA-N 343.382 4.573 0 50 EJAA O=C(N1CCC[C@H]1c1ccccc1F)C12CC3CC(CC(C3)C1)C2 36621170 GWHNJOLYHGGQAQ-IXYLRAAXSA-N 327.443 4.706 0 50 EJAA CCN(Cc1ccccc1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767314 ZVLUGYUWRKXAQV-JOCHJYFZSA-N 342.442 4.602 0 50 EJAA C[C@@H](Sc1ccc(O)cc1)c1nnc(-c2ccccc2F)s1 170600471 MRTCJRHIZKFTSJ-SNVBAGLBSA-N 332.425 4.903 0 50 EJAA COCCc1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 170604637 RXTZKXATXZTSNS-UHFFFAOYSA-N 325.452 4.570 0 50 EJAA C[C@@H]1CCCN(c2nc(-c3ccccc3)c3ccc(Cl)cc3n2)C1 240900718 ITKZBOWZRKDSPD-CQSZACIVSA-N 337.854 5.187 0 50 EJAA Cc1ncn(-c2ccc(NC(=O)c3ccc(-c4ccco4)o3)cc2)c1C 1875260689 VUTUMSURYMJODZ-UHFFFAOYSA-N 347.374 4.594 0 50 EJAA C[C@@H]1CCCN1C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820191 FFSOUBYSYPJVAV-GFCCVEGCSA-N 341.282 4.653 0 50 EJAA CCOC(=O)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 151088 MWQVEZZKUWLRTP-UHFFFAOYSA-N 344.750 4.649 0 50 EJAA CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1 498670 XEHIRVWXNSBROG-UHFFFAOYSA-N 347.374 4.766 0 50 EJAA CCCC[C@]1(c2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 2589548 UEZHTRNJUJQBQN-SFHVURJKSA-N 345.899 4.582 0 50 EJAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(C(F)(F)F)c1 2752900 KDMOVEXDMQZEPS-LLVKDONJSA-N 337.316 4.826 0 50 EJAA CCCOc1ccccc1/C=N/Nc1cc(C)nc2ccc(OC)cc12 4991909 XMKZCIZYYZBFAV-HYARGMPZSA-N 349.434 4.787 0 50 EJAA COc1ccccc1-c1cnn2c(Nc3ccc(F)cc3)cc(C)nc12 7636240 ZRPYUCWVMFBFOM-UHFFFAOYSA-N 348.381 4.596 0 50 EJAA CCCc1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2 71770678 YWUKWMSDEZJCQR-FCEUIQTBSA-N 344.495 4.831 0 50 EJAA CC(C)(C)OC(=O)n1ncc2c(F)cc(OCc3ccccc3)cc21 85224303 AEEAXDCVECAIPT-UHFFFAOYSA-N 342.370 4.538 0 50 EJAA in-vitro CC(=O)c1csc(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1 154178637 PYGXVEQZTHPCFP-HNNXBMFYSA-N 331.437 4.610 0 50 EJAA Cc1nc([C@H](C)N(C)Cc2ccc(CN3CCCC3)s2)c(C)s1 215559533 FXDUSYUKELIMSL-ZDUSSCGKSA-N 349.569 4.610 0 50 EJAA Cc1nc(C)c(CN[C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)s1 225714677 XRWMSIGEGSBDFK-JFUSQASVSA-N 326.918 4.757 0 50 EJAA O=C1CCCN1c1cccc(N[C@@H]2CCc3cc(Cl)ccc32)c1 240551405 GTLPUMCKBJPVOU-GOSISDBHSA-N 326.827 4.566 0 50 EJAA Cc1cc2nnc(Sc3nc4ccccc4s3)n2c2ccccc12 248328644 CBECXWBIPIPUBP-UHFFFAOYSA-N 348.456 4.952 0 50 EJAA O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H]1c1cccs1 253428028 GGANJLIMULZARN-MRVPVSSYSA-N 347.387 4.592 0 50 EJAA O[C@H](CSc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 916979833 YVXQQPLNDNKPTO-CYBMUJFWSA-N 339.338 4.672 0 50 EJAA CC1(C)CCC(n2nc(-c3nc[nH]n3)nc2C2CCCCCC2)CC1 1875349398 VYBOHMMLMUHYQG-UHFFFAOYSA-N 342.491 4.642 0 50 EJAA COC(=O)c1cc(-c2cccs2)nc2ccc(Br)cc12 211073 FWDKPDZTMJUKOB-UHFFFAOYSA-N 348.221 4.512 0 50 EJAA COc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F 374352 AOCKCSHMVPQAFQ-UHFFFAOYSA-N 341.741 4.511 0 50 EJAA CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl 443219 FEOUQCOBBMFIGY-INIZCTEOSA-N 335.234 4.970 0 50 EJAA Cc1ccc(Nc2nc([C@H]3C[C@@H](CC(C)C)C(=O)O3)cs2)cc1 452117 KIDKKXHDUVCMNA-CZUORRHYSA-N 330.453 4.845 0 50 EJAA COc1ccc2c(c1)N(C(=O)NC1CCCCC1)C(C)(C)C[C@H]2C 528590 MCTHDOCIKHEIJZ-CQSZACIVSA-N 330.472 4.830 0 50 EJAA CCOc1ccccc1-c1cc(C(=O)O)c2cccc(Cl)c2n1 2526036 IBYXFRLOEDOQTJ-UHFFFAOYSA-N 327.767 4.652 0 50 EJAA CCOc1cccc(OCCCOc2ccccc2OC(C)C)c1 2991139 QLMOAKGWJJAGFY-UHFFFAOYSA-N 330.424 4.720 0 50 EJAA Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)c(O)c1 10749747 WXUBSBORXIJCIH-UHFFFAOYSA-N 327.236 4.816 0 50 EJAA O=c1c(CN2CCC[C@@H]3CCCC[C@@H]32)coc2ccc(Cl)cc12 23282209 UGFOCSQYKWFHRV-GUYCJALGSA-N 331.843 4.601 0 50 EJAA O=C(NCc1ccccc1)c1ccc(Br)c2ccccc12 85477198 SFAMGLYGUTYURU-UHFFFAOYSA-N 340.220 4.532 0 50 EJAA in-vitro CO[C@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc23)cs1 170598284 SRLFTJVECPNMHK-GFCCVEGCSA-N 346.427 4.734 0 50 EJAA COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 197175199 CNVSMRIFPOSVDX-YEFRBMSASA-N 349.430 4.690 0 50 EJAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2nccs2)C1(C)C 225410310 OCCKDBGGTURBEV-IXDOHACOSA-N 340.492 4.587 0 50 EJAA C[C@H]1CCCCCN1C(=O)N[C@@H](CC1CCOCC1)c1ccccc1 1875258587 ZWNSMIMDHCNVED-PXNSSMCTSA-N 344.499 4.519 0 50 EJAA CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 434470 QRUAMGWAMPHWFH-LBPRGKRZSA-N 333.840 4.662 0 50 EJAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cl)cc1 614050 ZWGCMXFYSDSWFI-CQSZACIVSA-N 345.870 4.721 0 50 EJAA CCOC(=O)CSC(=O)c1sc2cccc(Cl)c2c1Cl 2022899 YWUZNOWCFBVFPM-UHFFFAOYSA-N 349.260 4.645 0 50 EJAA Cc1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1C 2924429 SIGDMDPKDYWZES-JKSUJKDBSA-N 334.246 4.829 0 50 EJAA COc1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 3567049 NJNGTJILAMNISW-UHFFFAOYSA-N 347.370 4.856 0 50 EJAA biogenic CCOc1ccc2nc(SCCCOc3ccccc3)[nH]c2c1 5884386 KCLNKDIWSBLQNR-UHFFFAOYSA-N 328.437 4.523 0 50 EJAA CC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 17066830 IQBWAQFDNYMEAA-CQSZACIVSA-N 326.465 4.554 0 50 EJAA C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 225280569 AUECQLRHFAMZEW-DPOVEGGPSA-N 347.911 4.879 0 50 EJAA Clc1ccccc1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 825596834 WVVWSXNZBQNCQQ-WOJBJXKFSA-N 332.919 4.569 0 50 EJAA Cc1cc(C(F)(F)F)ncc1CN[C@@H](C)c1cc2ccccc2[nH]1 2325812535 JZDLWBRVZHWMIU-LBPRGKRZSA-N 333.357 4.741 0 50 EJAA Cc1ccc2nsnc2c1NC(=O)c1cc(Cl)ccc1Cl 97705 ANOUSJNQRUSJCA-UHFFFAOYSA-N 338.219 4.559 0 50 EJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2=O 310820 HNYFTRHWDOKJRP-SJORKVTESA-N 340.250 4.717 0 50 EJAA CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl 2384347 RXDMAYSSBPYBFW-GPCCPHFNSA-N 334.674 4.737 0 50 EJAA biogenic,in-vitro O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 3226631 CNVSGILXBGTTOV-ZDUSSCGKSA-N 347.258 4.739 0 50 EJAA CC(C)(C)[S@](=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 4800648 MWRRWLFNSUKCMC-ACIPYADQSA-N 340.488 4.763 0 50 EJAA C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H]1CCCO1 12383292 AWBAUQCKEMTDQV-KWQFWETISA-N 344.263 4.505 0 50 EJAA OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccccc1 23549910 AZOXPIPWRDWNBA-QHCPKHFHSA-N 343.470 4.587 0 50 EJAA Cc1cc(C)c(NC(=O)c2cnc(-c3ccccc3F)s2)c(C)n1 129396118 NAOWUPSLMNEHIG-UHFFFAOYSA-N 341.411 4.522 0 50 EJAA FC(F)(F)CCOc1ccc(C(F)(F)F)cc1Br 169725677 IECSKKTUCXDVTA-UHFFFAOYSA-N 337.057 4.799 0 50 EJAA C[C@H](CNCCCCCCC(=O)O)Cc1ccc(C(C)(C)C)cc1 170612894 UDOCDQVWNHUEQW-KRWDZBQOSA-N 333.516 4.787 0 50 EJAA Cc1coc(-c2ccc(C)c(NC(=O)N3CCCC[C@@H](C)C3)c2)n1 187541987 VOWUMNOKFWRKEE-CYBMUJFWSA-N 327.428 4.612 0 50 EJAA C[C@@H]1c2ccccc2O[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299752057 SOMBAGLBFCGAKL-ZFKCKOODSA-N 348.402 4.552 0 50 EJAA O=C(O)[C@H]1CCCc2sc(/C=C/c3ccc(Cl)s3)nc21 408516041 FVNALFMNRNHEBJ-IWGCBNPKSA-N 325.842 4.533 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)o1 1875258921 OAGVBTMPQNWZQU-SDOJYMBMSA-N 325.408 4.681 0 50 EJAA COc1ccc([C@@H]2CCCN(C(=O)C3CCC4(CCC4)CC3)C2)cc1 1875333531 AENOTZUKOBNIFR-LJQANCHMSA-N 341.495 4.762 0 50 EJAA CC(C)Nc1nc(-c2ccc(Br)cc2)nc2ccccc12 435149 OAVMYWUQSMSXHI-UHFFFAOYSA-N 342.240 4.880 0 50 EJAA CCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 443460 ATIHCHDCHICKKS-UHFFFAOYSA-N 334.297 4.821 0 50 EJAA O=C(c1ccc(CSc2ccccc2)cc1)N1CCCCCC1 454284 NNLHCQFFYNKDGS-UHFFFAOYSA-N 325.477 4.995 0 50 EJAA COc1cc(/C=C/c2ccc(C(=O)c3ccccc3)cc2)ccc1O 457482 FICNDRRGSLXQPV-BQYQJAHWSA-N 330.383 4.802 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2s1 2164413 UIABOXDJBMMUIQ-UHFFFAOYSA-N 337.326 4.959 0 50 EJAA Cc1nn2c(N3CCCCC3)cc(C(C)(C)C)nc2c1-c1ccccc1 5518212 PIYWFFYOTSWIGL-UHFFFAOYSA-N 348.494 4.993 0 50 EJAA CCn1c(CSCc2ccc(Cl)c(Cl)c2)n[nH]c1=S 6519979 OZUFGCPRYWHEKN-UHFFFAOYSA-N 334.297 4.701 0 50 EJAA COc1ccc(C[C@H](C)N2CC=C(c3ccc(F)cc3)CC2)cc1 23280990 LPLSRQFZOIHPBP-INIZCTEOSA-N 325.427 4.555 0 50 EJAA COCCCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1 43195094 CUEPJIGXQLIOIK-UHFFFAOYSA-N 326.392 4.696 0 50 EJAA in-vivo c1ccc(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)cc1 100469607 MWKGMZRDURKJEZ-QZQOTICOSA-N 329.428 4.833 0 50 EJAA Clc1cccc([C@H]2C=C(c3ccccc3Cl)Nc3ncnn32)c1 101079907 XBBNWAWBXLTIBJ-MRXNPFEDSA-N 343.217 4.641 0 50 EJAA Fc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 121532665 XIKJQQRDBXMBEA-UHFFFAOYSA-N 344.393 4.686 0 50 EJAA CC(C)[C@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 170066026 KPLQFLFKLDPIEF-AOMKIAJQSA-N 348.446 4.846 0 50 EJAA Cc1cc(Cl)cnc1NC(=O)c1ncoc1-c1ccccc1Cl 485105266 IXZFCYBKILERCN-UHFFFAOYSA-N 348.189 4.604 0 50 EJAA Cc1cc(-c2ccccc2)ccc1NC(=O)CSCc1ccncc1 918562696 LRMZNQXPIDDRMU-UHFFFAOYSA-N 348.471 4.929 0 50 EJAA CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 110333 KYFISQGMGUJGCW-UHFFFAOYSA-N 344.750 4.649 0 50 EJAA biogenic Cc1cc(OCc2cccc(F)c2)c2c3c(c(=O)oc2c1)CCCC3 316729 XYHRIPXFVVIJPE-UHFFFAOYSA-N 338.378 4.698 0 50 EJAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CCCC1 475318 UTNNWRUQGSTLRH-UHFFFAOYSA-N 330.431 4.883 0 50 EJAA CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 2986363 YEURNTYFJCPKLB-UHFFFAOYSA-N 338.451 4.718 0 50 EJAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccnc1 17440264 SLWFSDGDCCUXDV-UHFFFAOYSA-N 348.793 4.531 0 50 EJAA Cc1c(NC(=O)Nc2cccc(Cl)c2)cccc1NC(=O)C1CC1 36567670 KSXXJHPUDKMRND-UHFFFAOYSA-N 343.814 4.641 0 50 EJAA Cc1cccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C 55542930 FTIXSBKMULWAMS-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA COc1ccc(N(c2ccc(C=O)cc2)c2ccc(OC)cc2)cc1 81946226 CTRXZOLNEVJBDX-UHFFFAOYSA-N 333.387 4.986 0 50 EJAA FC(F)(F)c1cccc(OCCCN2CCc3ccccc3C2)c1 96027775 FNDIBOXPXWYHFT-UHFFFAOYSA-N 335.369 4.533 0 50 EJAA Cc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1OC(F)F 170627001 SJAUXBXUKMKQLH-UHFFFAOYSA-N 336.382 4.848 0 50 EJAA FC1(F)CCN(C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 216321811 HFKJHTDZXTVCFI-IBGZPJMESA-N 327.418 4.724 0 50 EJAA CCC(=O)CCCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 242302084 YPJBFAOZIKCLIF-UHFFFAOYSA-N 343.511 4.539 0 50 EJAA COC(=O)c1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)ccc1C 1875328290 JPEMBBKTPRAXRH-UHFFFAOYSA-N 346.382 4.814 0 50 EJAA CC(C)OC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 355426 BQOHVRNUHJXBFC-UHFFFAOYSA-N 329.179 4.731 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)COc1ccc2ccccc2c1 442886 ZJBZJWTVFLZKRI-UHFFFAOYSA-N 325.795 4.819 0 50 EJAA Cc1ccc(Nc2nc([C@@H]3C[C@@H](CC(C)C)C(=O)O3)cs2)cc1 452118 KIDKKXHDUVCMNA-CJNGLKHVSA-N 330.453 4.845 0 50 EJAA COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 499780 ALDBZDLDKUKLOD-CQSZACIVSA-N 330.472 4.830 0 50 EJAA Cc1cc(=O)oc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc12 1050289 GSKMQMWQFXAGRJ-UHFFFAOYSA-N 336.387 4.618 0 50 EJAA COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2C)c(C)c1 2993940 UMVKIUQCPXMWFW-UHFFFAOYSA-N 331.843 4.927 0 50 EJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)c1 12595602 TWZOVAGQDZFMPP-CYBMUJFWSA-N 342.464 4.913 0 50 EJAA COc1cc(C)cc(-c2ccc(CN3CCCCC3)cc2)c1OC 96159990 YVSCDKNUPIXPNN-UHFFFAOYSA-N 325.452 4.665 0 50 EJAA Cc1cc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)ccc1Cl 136553758 VJQXXONAJRYOJQ-UHFFFAOYSA-N 341.818 4.553 0 50 EJAA FC(F)(F)c1cc(NC2CCCCCC2)nc(-c2ccncc2)n1 170632560 PIEDTSFGBXKHEX-UHFFFAOYSA-N 336.361 4.692 0 50 EJAA Cc1cc2cc(NC(=O)N(C)Cc3csc(C(C)C)n3)ccc2o1 299798065 UKCXERYVUQAYOQ-UHFFFAOYSA-N 343.452 4.985 0 50 EJAA COc1ccc(-c2ccc(C(=O)N3CC[C@@H]3c3cccs3)o2)cc1 824689329 VZHLXUBHJMUDSR-OAHLLOKOSA-N 339.416 4.604 0 50 EJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1 144380 MUXGAFIHKWNYFG-AWEZNQCLSA-N 347.842 4.842 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 250053 PWYKURSOQPCEIO-UHFFFAOYSA-N 331.419 4.933 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 449855 DQMJSBWVICCQPU-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA O=C(NC1CCCCCCC1)c1ccc(C(=O)c2ccccc2)cc1 455138 OQMPHSYFGOQDEN-UHFFFAOYSA-N 335.447 4.760 0 50 EJAA Cc1c(Br)ccc(NC(=O)c2ccccc2Cl)c1C 465023 OFFKYPYMNADELA-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)Nc2c(C)nn(CC)c2C)cc1 611375 YBUSMJYWHHCLPM-GFCCVEGCSA-N 330.501 4.842 0 50 EJAA CCc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1074392 HMMOUHDCMZISDY-UHFFFAOYSA-N 344.414 4.754 0 50 EJAA Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 1114906 TVVNAPRLJCXICX-LBPRGKRZSA-N 339.218 4.983 0 50 EJAA C[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1225151 CUHVNJREZJDSBT-SFHVURJKSA-N 329.443 4.566 0 50 EJAA CC(C)(C)CC(C)(C)NC(=O)CSc1nc2ccccc2s1 2269385 HYHXZYUFKVAWAB-UHFFFAOYSA-N 336.526 4.719 0 50 EJAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NC2CCCC2)C1 5916755 UDSQYMLQUNFHMV-GFCCVEGCSA-N 334.529 4.544 0 50 EJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H]1CCOC1 12456575 CIKIRRFWSMBYHX-FQEVSTJZSA-N 348.446 4.538 0 50 EJAA COc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1 20605775 WIJPTKNBYXZYCX-UHFFFAOYSA-N 334.297 4.795 0 50 EJAA COc1cccc(OC)c1OCCCCOc1ccc(C)cc1C 22238494 GZTFHAZERHEAFP-UHFFFAOYSA-N 330.424 4.559 0 50 EJAA c1ccc([C@H]2CCCCN2Cc2ccc(-c3cccnc3)cc2)nc1 72120737 CIJYUNDZWYMQKY-JOCHJYFZSA-N 329.447 4.871 0 50 EJAA CCCCCCN[C@@H](C(=O)OCC)c1ccc(Cl)c(Cl)c1 96026573 MCGKNNCZLMWSRW-OAHLLOKOSA-N 332.271 4.768 0 50 EJAA COc1ccc(O[P@](C)(=O)Nc2cccc(Cl)c2C)cc1 100315660 OVTYARLOVKBEDD-NRFANRHFSA-N 325.732 4.971 0 50 EJAA C[C@@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1cccs1 299742218 IWHMDXFCWMAMSQ-IVMMDQJWSA-N 326.421 4.528 0 50 EJAA CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3F)cc2)CC1 426511819 UYMFFBXPFRUWCN-OAHLLOKOSA-N 326.415 4.540 0 50 EJAA COc1ccc(C(=O)NC[C@@]2(C)CCC[C@H]2C)c(OCCC(C)C)c1 1875357359 DFRMTJQCQCJQBF-IIBYNOLFSA-N 347.499 4.676 0 50 EJAA CC1(C)CCC[C@@H]([C@@](C)(O)CNCc2ccc3c(c2)CCCC3)C1 2325841573 AEZXDMUWAGRXCL-IRLDBZIGSA-N 329.528 4.622 0 50 EJAA O=C1C(Nc2ccccc2)=C[C@H](c2ccccc2)N1c1ccccc1 134170 QIBLHYFLABKMHD-OAQYLSRUSA-N 326.399 4.771 0 50 EJAA O=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 276171 MSAUYOVTSHSULP-UHFFFAOYSA-N 341.204 4.994 0 50 EJAA CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C(=O)O)cc1 360219 KMXAVKQOIQKOOH-UHFFFAOYSA-N 340.206 4.702 0 50 EJAA Cc1cc(C(F)(F)Cl)n2ncc(-c3ccc(Cl)cc3)c2n1 1058419 BWNKPUCYNPGLOZ-UHFFFAOYSA-N 328.149 4.646 0 50 EJAA Cc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1 1163368 CXEJYNDOCBHTIH-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA COc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1 2741020 CDOPNPKXZUBRKH-UHFFFAOYSA-N 347.340 4.540 0 50 EJAA OCC1(Cc2ccccc2)CCN(Cc2cccc3ccccc23)CC1 12719049 ZCTQVFSLJCNDMS-UHFFFAOYSA-N 345.486 4.657 0 50 EJAA Cc1ccc([C@@H](NC(=O)c2ccccc2C)c2cccnc2)cc1C 15839742 FXMTUAHDMXGWCH-OAQYLSRUSA-N 330.431 4.526 0 50 EJAA Fc1ccc(CN2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)cc1 20109856 XCDGBTWVAATHEV-LJQANCHMSA-N 349.453 4.519 0 50 EJAA CCC(CC)n1nc(C)cc1NC(=O)N[C@H](CC)c1ccc(C)cn1 299798842 UGUIZSKICVFRCW-MRXNPFEDSA-N 343.475 4.529 0 50 EJAA O=C(C[C@@H]1CC=CCC1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 822353693 IATBKDKNBLAVAL-CYBMUJFWSA-N 339.414 4.778 0 50 EJAA CCOC(=O)Nc1ccc(Nc2nc(C3CC3)nc3ccccc23)cc1 1875309121 RSFCFQNVDBBIPM-UHFFFAOYSA-N 348.406 4.819 0 50 EJAA O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccc1Cl 127358 MJKHRRYSBZEDHQ-UHFFFAOYSA-N 332.790 4.706 0 50 EJAA COc1cc2c(cc1NC(=O)c1ccccc1SC)CCCC2 303476 UGWFUIJQWZHDCK-UHFFFAOYSA-N 327.449 4.548 0 50 EJAA CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 64985086 YYZJPIOBCDTUSF-INIZCTEOSA-N 343.427 4.566 0 50 EJAA CC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2CO)o1 67714845 AGDXXERKLORFAM-UHFFFAOYSA-N 335.403 4.815 0 50 EJAA Cc1ccccc1NC(=O)c1cccc(-n2ccnc2-c2ccoc2)c1 77536468 RJIUJWQEVIWDRQ-UHFFFAOYSA-N 343.386 4.693 0 50 EJAA CC(C)(Oc1ccc(-c2nc3cc(Cl)ccc3s2)cc1)C(=O)O 145943464 HJOJVKDSEPDKSE-UHFFFAOYSA-N 347.823 4.859 0 50 EJAA in-vitro CC[C@@H](NC(=O)N1C[C@@H](C(C)C)c2ccccc21)c1c(C)noc1C 331653310 MLEDYHSLAFMXHL-DLBZAZTESA-N 341.455 4.712 0 50 EJAA COc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)cc1 178464 LPVVIAKWGNRRDB-FQEVSTJZSA-N 347.414 4.562 0 50 EJAA Cc1ccc2c(c1)c1c3n2CC(=O)N([C@H](C)c2ccccc2)[C@@H]3CCC1 190458 SVWIFMOPOCWQOQ-IIBYNOLFSA-N 344.458 4.931 0 50 EJAA biogenic CC(=O)Oc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2881397 FYBKZQWQBBPIDJ-UHFFFAOYSA-N 346.386 4.608 0 50 EJAA CC[C@H](O)Cn1ccc(-c2cccc(-c3ccc4ccccc4n3)c2)n1 23428792 SBPBRYIOWHNDNA-IBGZPJMESA-N 343.430 4.536 0 50 EJAA Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1NC(=O)C1CC1 36568007 PBJQTPHQYJQFMF-UHFFFAOYSA-N 336.435 4.719 0 50 EJAA Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)c2c1 77428504 ZOTCPURGZWMAIU-HXUWFJFHSA-N 334.394 4.578 0 50 EJAA c1ccc(-c2ncco2)c(-c2ccc(OC[C@@H]3CCCCO3)cc2)c1 871073791 KOIXKHRSDUOZGI-SFHVURJKSA-N 335.403 4.957 0 50 EJAA CCCN(Cc1ccsc1)C(=O)c1c(-c2ccccc2)noc1C 952977795 ONRDOIFKDFTCIR-UHFFFAOYSA-N 340.448 4.764 0 50 EJAA Cc1cc(C)cc([C@H](C)NC(=O)c2ccccc2-c2ccncc2)c1 1359940916 FSQJZJYWCBLFRL-KRWDZBQOSA-N 330.431 4.856 0 50 EJAA Cc1cc(/C=C/c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)o2)ccc1F 1875283571 WLYPVZPBXPRZFG-HTFDGFGYSA-N 330.403 4.606 0 50 EJAA C[C@H]1CC(C)(C)c2cccc(NC(=O)N3CCC[C@@H]3c3ccon3)c21 1875406202 ZIEWQULSAHMEBH-SUMWQHHRSA-N 339.439 4.828 0 50 EJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1F 122462 ZWZWJGMRQMFDDD-UHFFFAOYSA-N 347.349 4.590 0 50 EJAA CCc1nnc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)s1 292929 GKTQJFKOMZQZSB-UHFFFAOYSA-N 345.512 4.948 0 50 EJAA O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccccc1 315943 STGAQMVRGXPRKM-UHFFFAOYSA-N 344.439 4.678 0 50 EJAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1F 359536 PXEMFIVXKDSANI-UHFFFAOYSA-N 327.399 4.891 0 50 EJAA Cc1ccc(N[C@H]2c3ncccc3C(=O)N2C2CCCCC2)cc1C 4057169 KAXKGOOKBJMXNP-HXUWFJFHSA-N 335.451 4.598 0 50 EJAA Cc1cccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c1 6702638 DGTHYTWQUPUQHU-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA O[C@@H](CNCc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 19872538 BPAJTQFKTYJJBD-SFHVURJKSA-N 345.801 4.562 0 50 EJAA Nc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl 34093597 NXWRKJGSRUCYEN-UHFFFAOYSA-N 330.030 4.865 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1 64984990 SGRPYAWFSOOART-QGZVFWFLSA-N 343.427 4.566 0 50 EJAA c1ccc(COc2ccc3[nH]cc(CCc4ccncc4)c3c2)cc1 71770545 MGAIHVRJKNSDTH-UHFFFAOYSA-N 328.415 4.927 0 50 EJAA O=C(c1cccnc1/C=C/c1ccc(C(F)(F)F)cc1)N1CCCC1 97743388 PJOLMRSXNQDKMZ-JXMROGBWSA-N 346.352 4.507 0 50 EJAA O=Cc1ccc(OCc2cccc(F)c2)c(Cc2cccc(F)c2)c1 144836883 VIFRWCOSLMTDSZ-UHFFFAOYSA-N 338.353 4.947 0 50 EJAA Cc1ccc(N[C@H](C)c2cn3ccccc3n2)cc1Br 225411163 GFYFGXKZLJZVLF-GFCCVEGCSA-N 330.229 4.578 0 50 EJAA Cc1cc(C)c2nc(NC(=O)c3scnc3C(C)C)sc2c1 331745653 CRWFFVTZLXNUGF-UHFFFAOYSA-N 331.466 4.745 0 50 EJAA c1ccc(Oc2cccc(N[C@H]3CCOC4(CCOCC4)C3)c2)cc1 393070371 VOOLKPAYZFVFGV-SFHVURJKSA-N 339.435 4.619 0 50 EJAA Cc1nnc(-c2cccc(-c3cccc([C@@H](C)N4CCCC4)c3)c2)o1 534590225 CVYCBMUNMLVVLE-OAHLLOKOSA-N 333.435 4.869 0 50 EJAA CC(C)c1ccc(C(C)C)c(NC(=O)c2ccc3c(O)ncnc3c2)c1 1875278736 ZVVVXWGOUCTPDW-UHFFFAOYSA-N 349.434 4.835 0 50 EJAA COc1ccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCC5)cc1 95279 AFBPCSXZKVOCAC-UHFFFAOYSA-N 332.355 4.704 0 50 EJAA biogenic Cc1ccc(C)c([C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2)c1 619898 DZHYWUBYHXDDLW-NRFANRHFSA-N 333.406 4.962 0 50 EJAA c1ccc2c[n+](CCCCCC[n+]3ccc4ccccc4c3)ccc2c1 2156539 AVWREEWMESQTNI-UHFFFAOYSA-N 342.486 4.829 0 50 EJAA CC(=O)c1cn(CCCOc2ccccc2Cl)c2ccccc12 2845899 HTIHHHWYWFYQHZ-UHFFFAOYSA-N 327.811 4.966 0 50 EJAA O=C(/C=C/c1ccc(F)cc1)NCCSCc1ccc(Cl)cc1 2983935 FRVYDKVTQXXBSW-BJMVGYQFSA-N 349.858 4.542 0 50 EJAA COc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 4006355 NCLFMRXNDDMDFQ-NRFANRHFSA-N 343.426 4.640 0 50 EJAA COc1cc2ccccc2cc1C(=O)NC12CC3CC(CC(C3)C1)C2 4158421 WIWGQCNLHWKLTQ-UHFFFAOYSA-N 335.447 4.547 0 50 EJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2cc(C)cc(C)c2)s1 5950064 CCOKFHADSQZIMK-UHFFFAOYSA-N 348.493 4.523 0 50 EJAA CC(C)Cc1ccc(-c2cc(C(=O)O)n(-c3ccccc3F)n2)cc1 25762567 PXWZTMBUCQXVSW-UHFFFAOYSA-N 338.382 4.575 0 50 EJAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)cc1 104289707 MITVFTQPBNIBOQ-FHLIZLRMSA-N 343.810 4.673 0 50 EJAA C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1C[C@@H]2CCC[C@@H]21 241277682 LIFQUFSHGXTAMR-BFVZDQMLSA-N 338.238 4.589 0 50 EJAA C[C@H](Oc1ccc(Cl)c(Cl)c1)c1ncc(Br)cn1 242287981 YKABLIWXBDDNGD-ZETCQYMHSA-N 348.027 4.686 0 50 EJAA CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)CC1=O 257345749 IBJSQLOPRJPKPB-GSIXCFPSSA-N 332.484 4.530 0 50 EJAA CCc1noc(C)c1NC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 930547738 VPKHBSPVVVVLFF-INIZCTEOSA-N 341.455 4.593 0 50 EJAA O=C1CCc2cc(-c3cccc(C(F)F)c3F)cc3c2N1CCC3 2325776445 NDDJHDFJVORURT-UHFFFAOYSA-N 331.337 4.656 0 50 EJAA CCc1ccc2c(c1)CN(C(=O)c1cccc(NC(C)C)c1C)CC2 2325828070 XZYTUGRYZSGXOI-UHFFFAOYSA-N 336.479 4.576 0 50 EJAA CCCC(=O)Nc1ccccc1NC(=O)C=C1CCC(C)(C)CC1 2325853071 CEDCELLPSDARLR-UHFFFAOYSA-N 328.456 4.890 0 50 EJAA O=C(/C=C/c1ccco1)Nc1ncc(Cc2cccc(Cl)c2)s1 134180 HRNKTLRNFCSUDF-VOTSOKGWSA-N 344.823 4.632 0 50 EJAA FC(F)(F)c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12 171324 VRRHJJFHJCPCKE-UHFFFAOYSA-N 329.281 4.675 0 50 EJAA Cc1c(Br)cc(C(=O)Nc2ccc(F)cc2)c(C)c1C 309600 XPDASISRGFZIFH-UHFFFAOYSA-N 336.204 4.766 0 50 EJAA COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 441827 ITWQINWKVUKFKR-UHFFFAOYSA-N 347.842 4.664 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 447525 LHIXZDQORLTRQR-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA CCc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 450609 KOGZCCGJKRPCOP-UHFFFAOYSA-N 340.492 4.673 0 50 EJAA Cc1c(Br)cc(C(=O)Nc2ccccc2F)c(C)c1C 1462891 CFTLKFYUSOFCSK-UHFFFAOYSA-N 336.204 4.766 0 50 EJAA Cc1cc(NCC(C)C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2449960 RHCJBTVBKCODKG-UHFFFAOYSA-N 328.847 4.734 0 50 EJAA C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 2921543 SJHXRMMNQDOTMJ-NWDGAFQWSA-N 338.234 4.638 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 8708764 XBUJFJBGIDSIAX-SNVBAGLBSA-N 343.732 4.765 0 50 EJAA Cc1ccc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)cc1 15839748 KEDMVXQZYVXQRY-OAQYLSRUSA-N 330.431 4.526 0 50 EJAA O=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1 17071746 DOYXSUJHAZEGHY-UHFFFAOYSA-N 343.583 4.886 0 50 EJAA Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 25762892 ZOVRBHYAISZQDK-YLJYHZDGSA-N 334.350 4.661 0 50 EJAA COC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 39008119 SLYKXRFTRIYUJV-UHFFFAOYSA-N 348.398 4.631 0 50 EJAA Cc1cc2cccc(NC(=O)N(C)[C@H](c3ccccn3)C3CC3)c2o1 96165757 JNRUSGVPDHDCFM-SFHVURJKSA-N 335.407 4.751 0 50 EJAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cccc2cc[nH]c12 153093558 RJNSBYJVNBLNQE-ZDUSSCGKSA-N 341.480 4.889 0 50 EJAA C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(Cl)cn1 170605965 KOCQMKRCVUMMJX-NSHDSACASA-N 344.773 4.625 0 50 EJAA Cc1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)nn1C(C)(C)C 170626203 ACOWXPSMZHEKFP-UHFFFAOYSA-N 349.434 4.991 0 50 EJAA C=CC(=O)Nc1cccc(-c2nc3ccc(F)cc3n2C2CC2)c1C 1775997506 LUQTYXZZTIQMHO-UHFFFAOYSA-N 335.382 4.610 0 50 EJAA Fc1ccc(Cl)c(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 1857688285 ALMQUWIQXGOQDK-KBXCAEBGSA-N 347.865 4.607 0 50 EJAA Cc1ccccc1[C@H](C(=O)Oc1ccc2cncnc2c1)C1CCCC1 1875342581 YLVGCVPFWIKYHE-OAQYLSRUSA-N 346.430 4.818 0 50 EJAA CCn1c(-c2ccc(OCc3cccnc3)cc2)nc2cc(F)ccc21 2325702974 OMCJWRQGUQLBDE-UHFFFAOYSA-N 347.393 4.836 0 50 EJAA COc1ccc(F)cc1-c1csc(=Nc2ccc(C)cc2C)[nH]1 2325721568 JUXOKNNUZPTNEG-UHFFFAOYSA-N 328.412 4.740 0 50 EJAA Cc1cc(C)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)sc2n1 149917 APSUVAOBLSJCEU-UHFFFAOYSA-N 345.855 4.709 0 50 EJAA Cc1cccc(C)c1OCC(=O)Nc1nc2ccc(Cl)cc2s1 1059054 DCXKSEIILBCNHN-UHFFFAOYSA-N 346.839 4.584 0 50 EJAA COc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 2745588 ICPRKUAPXIPQKV-UHFFFAOYSA-N 345.442 4.647 0 50 EJAA CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 2868804 UMYPLCCHEIYLTI-UHFFFAOYSA-N 335.494 4.641 0 50 EJAA Clc1cccc(-c2noc3ncnc(NC4CCCCC4)c23)c1 8603548 FDDZLCPFDLLVRP-UHFFFAOYSA-N 328.803 4.683 0 50 EJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccccc3)C2)c1 43041317 MJANJNPOAFNFCI-SFHVURJKSA-N 335.426 4.595 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 238900758 JSSBVGZWZPTGCP-XXINRUCKSA-N 349.908 4.742 0 50 EJAA Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 242324334 ZAFJFOWSYFHMPC-PBHICJAKSA-N 338.476 4.946 0 50 EJAA CC[C@]1(C)C[C@@H]([C@H]2CCCN(CCC(=O)c3ccccc3)C2)CCO1 822676324 VRGOUTDKDGPPII-JAXLGGSGSA-N 343.511 4.567 0 50 EJAA CC(C)(C)c1nc(=Nc2ccccc2)sn1C=C(Cl)Cl 825330567 JHTIEDOWUPNXLE-UHFFFAOYSA-N 328.268 4.708 0 50 EJAA CN(C)Cc1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)ccc1F 1245667150 ZJXSVMHCTXPUIK-UHFFFAOYSA-N 349.405 4.920 0 50 EJAA CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csc(C(C)C)n1 1337614429 QTUXWMSTMLHPLM-AWEZNQCLSA-N 335.860 4.506 0 50 EJAA Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1 44664 VCERAGQXISOSRE-UHFFFAOYSA-N 339.826 4.703 0 50 EJAA O=C(Oc1ccccc1-c1cnc2ccccc2n1)c1ccc(F)cc1 45064 XQRZTZKKLGAXDW-UHFFFAOYSA-N 344.345 4.655 0 50 EJAA Cc1ccc(-c2csc3ncn(Cc4cccc(C)c4)c(=O)c23)cc1 98459 YJGHQTLVFKZZNQ-UHFFFAOYSA-N 346.455 4.790 0 50 EJAA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2F)cc1 104528 WGVPYFFGUONXIF-FQEVSTJZSA-N 332.378 4.905 0 50 EJAA Cc1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 449001 AMNNZFVHKIVUCQ-QGZVFWFLSA-N 331.415 4.543 0 50 EJAA O=C(Oc1ccc2c(c1Br)CCCC2)c1ccccc1F 620584 QGGWKBLMCBUGBH-UHFFFAOYSA-N 349.199 4.686 0 50 EJAA O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)s1 1002142 YWOMISYUEVVMBQ-UHFFFAOYSA-N 334.597 4.555 0 50 EJAA CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(C)C 2863731 RYZWVKQXCBSJIL-QGZVFWFLSA-N 327.468 4.971 0 50 EJAA O=C(CCc1ccccc1Br)Nc1ccccc1Cl 4542935 BBIZOEILGVTHBM-UHFFFAOYSA-N 338.632 4.674 0 50 EJAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)C3CC3)cc(Cl)cc12 71721344 VDMCSROOVBWTNV-UHFFFAOYSA-N 338.838 4.823 0 50 EJAA Cc1ccc2cccc(C(=O)Nc3ccccc3-c3ccncc3)c2n1 133350804 IPASMWLMWWNOGF-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA O=c1[nH]c(CSC2=Nc3ccccc3CS2)cc2ccccc12 156829893 GSJIOCOSYAFZJJ-UHFFFAOYSA-N 338.457 4.696 0 50 EJAA O=C(/C=C/c1cncs1)Nc1ccc(Oc2cccc(F)c2)cc1 2325748776 LVISLFUHJLXOTA-CMDGGOBGSA-N 340.379 4.726 0 50 EJAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1C 465131 XNIJWGTXRSRXBA-ZDUSSCGKSA-N 326.465 4.635 0 50 EJAA Cc1ccccc1-c1noc(COc2ccc(Cl)cc2Cl)n1 516051 ICIPTHFZQGUYPK-UHFFFAOYSA-N 335.190 4.931 0 50 EJAA C[C@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O 1063936 PFXLETOLBSXYAK-LLVKDONJSA-N 340.286 4.578 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(C3CCCCC3)s2)cc1C 1243404 XAOAGGLRQHTTJO-UHFFFAOYSA-N 330.457 4.847 0 50 EJAA CCCCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1 2869974 KSAPNZVHVIQBAI-UHFFFAOYSA-N 333.431 4.949 0 50 EJAA biogenic CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 6242789 UDQDHJYOGJOAPW-UHFFFAOYSA-N 346.839 4.530 0 50 EJAA Clc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1 6671746 XBRIEMZWSDCAKE-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA COc1ccccc1[C@H]1CCCN1C(=O)c1sc(C(C)C)nc1C 68807071 KZZDYBUGNLOELG-OAHLLOKOSA-N 344.480 4.561 0 50 EJAA Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(F)cn1 170676731 UYTLADMCXFACPJ-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA COc1cc2c(cc1NC(=O)[C@H](C)c1ccccn1)oc1ccccc12 253405579 OFIUYHHYPDSQAN-CYBMUJFWSA-N 346.386 4.732 0 50 EJAA CC(C)c1occc1C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 253429683 IBNCPFLYFAEUCI-UHFFFAOYSA-N 337.379 4.583 0 50 EJAA Cc1nnc(SCc2ncoc2C(F)F)n1[C@@H]1CCC[C@@H](C)C1 1775990966 IIYQJSQDSGOADG-MWLCHTKSSA-N 342.415 4.556 0 50 EJAA Cc1nc(Oc2ccc(F)c3c2C(=O)C[C@H]3C)cc(-c2ccco2)n1 1875354159 BRSABHSYNLIEPH-SNVBAGLBSA-N 338.338 4.666 0 50 EJAA CCc1cc(=O)oc2cc(OCc3cccc(F)c3)c(Cl)cc12 317104 KRJPFXCSHVLROK-UHFFFAOYSA-N 332.758 4.727 0 50 EJAA Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccnc2)cc1 348239 UONONLVWMSQVOV-UHFFFAOYSA-N 329.447 4.724 0 50 EJAA O=C1c2ccccc2C(=Cc2ccc3c(c2)OCO3)c2ccccc21 395034 TVIVEAMYQHTBIO-UHFFFAOYSA-N 326.351 4.549 0 50 EJAA c1ccc(COc2ccc(OCCn3cnc4ccccc43)cc2)cc1 527705 HSGPIQPARZNFTD-UHFFFAOYSA-N 344.414 4.694 0 50 EJAA CCOc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 547919 QVZKGGRETXUPFQ-UHFFFAOYSA-N 342.402 4.834 0 50 EJAA CC(=O)c1cccc(NC(=O)Nc2nc3c(Cl)cccc3s2)c1 611483 APBHEVPHIFKJNE-UHFFFAOYSA-N 345.811 4.796 0 50 EJAA CC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1 613065 UDSNOORISARPQX-UHFFFAOYSA-N 344.827 4.561 0 50 EJAA CCOC(=O)Nc1ccc(NC(=O)CCC2CCCCC2)cc1OC 4761511 YXCRHPGKSJINOJ-UHFFFAOYSA-N 348.443 4.563 0 50 EJAA CCc1ccc(Cc2cnc(NC(=O)c3c(C)coc3C)s2)cc1 9763970 XFNLBEKBFYOWLO-UHFFFAOYSA-N 340.448 4.758 0 50 EJAA C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccncc1 12383950 VUDRLYADWOHFCK-VIFPVBQESA-N 334.803 4.580 0 50 EJAA CC(C)N(Cc1ccccc1)C[C@H](O)Cc1cccc2ccccc12 96027611 ZALLAOGWOZOXPR-JOCHJYFZSA-N 333.475 4.654 0 50 EJAA CC(C)[C@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)cc1 2325822044 ZHGLLBPSPKYPOA-PMACEKPBSA-N 325.427 4.759 0 50 EJAA CCCc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 107093 DKEOROCYVVMNAD-INIZCTEOSA-N 348.421 4.877 0 50 EJAA CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1Br 238164 DINPLLQOFFWJIV-UHFFFAOYSA-N 348.240 4.717 0 50 EJAA Clc1ccc(CNc2ncnc3ccc(Br)cc23)cc1 401160 VZSKRVICHCBGCJ-UHFFFAOYSA-N 348.631 4.658 0 50 EJAA COc1ccc(C)c2c1C1=C(C2)C2=CCC[C@@H](OC(C)=O)[C@]2(C)CC1 1068868 RPIUTHWGJMGJLV-IFMALSPDSA-N 338.447 4.765 0 50 EJAA CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2557145 ILCTUFVQFCIIDS-NGFSFWIMSA-N 332.484 4.530 0 50 EJAA biogenic,in-vivo O=C(c1sc2cc(Br)ccc2c1Cl)N1CCCC1 4750080 UUPKCZDZHJJVNR-UHFFFAOYSA-N 344.661 4.553 0 50 EJAA O=C(Nc1ccc(NCc2ccccc2F)cc1Cl)c1ccco1 4869372 RSZFRFBMLCEMSW-UHFFFAOYSA-N 344.773 4.937 0 50 EJAA CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 4917323 VJADXUOMXJIULT-GXDHUFHOSA-N 345.445 4.795 0 50 EJAA Cc1ccc([C@H]2C[C@@H]2c2nnc(S)n2-c2cccc(Cl)c2)cc1 6533843 XOELQQAHXNBRBG-CVEARBPZSA-N 341.867 4.789 0 50 EJAA CC(C)(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 8991928 GQYWCVGCCCXENM-UHFFFAOYSA-N 329.787 4.528 0 50 EJAA Cc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 42995854 BBIRNDJBYQCHGR-IBGZPJMESA-N 349.453 4.904 0 50 EJAA CCC(CC)n1ncc(C)c1NC(=O)c1ccc2ccccc2c1O 55413950 JTVBKBNHOQUEIG-UHFFFAOYSA-N 337.423 4.664 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)c1cc(C(C)C)nc2ccccc12 193183324 VWZUUCASUADMNR-UHFFFAOYSA-N 335.407 4.784 0 50 EJAA CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@@H]2[C@@H]1c1cccs1 222417450 NOCGPOGIVZUDDQ-NIKGAXFTSA-N 327.449 4.550 0 50 EJAA c1ccc([C@H](NCc2cnc(C3CCC3)s2)c2cccnc2)cc1 253418659 XSWXUSGPEVMMAD-IBGZPJMESA-N 335.476 4.685 0 50 EJAA CSc1ccccc1NC(=O)N1CCC(c2cccc(O)c2)CC1 299801809 YELAGUMOGPTJLR-UHFFFAOYSA-N 342.464 4.526 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 133308 JJUZMCWETSYNRQ-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 315823 JBKHRQVVULIWRF-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 452787 OWBWUKKMXQXIMA-LLVKDONJSA-N 340.275 4.790 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 4803690 VFMDZNWWUNAQGV-UHFFFAOYSA-N 326.367 4.854 0 50 EJAA CC[C@@H](c1cccs1)n1ccnc1-c1ccc(NC(C)=O)cc1 71767914 UOMCZVHWEYSFIL-INIZCTEOSA-N 325.437 4.569 0 50 EJAA CCCCn1ccnc1C1CCN(c2ccc3ccccc3n2)CC1 95500809 PIUVFMTUFMUYNM-UHFFFAOYSA-N 334.467 4.615 0 50 EJAA CCn1c(NCc2cnc(-c3ccco3)s2)nc2cc(F)ccc21 225599215 CDLPUGDNMSPDTA-UHFFFAOYSA-N 342.399 4.524 0 50 EJAA C[C@H](c1cccc(-c2ccc(Cn3ccnc3)cc2)c1)N1CCCC1 534675682 SSZDQKPTOBEBLF-GOSISDBHSA-N 331.463 4.755 0 50 EJAA COC(C)(C)CCn1ccnc1-c1cnc(-c2ccccc2C)s1 1857690996 RGUWTGHCNXPBCW-UHFFFAOYSA-N 341.480 4.797 0 50 EJAA COc1ccccc1-c1ccc([C@@H](C)NCCCC(C)(C)N)cc1 2325793537 YZVRCVPTXYOQGX-MRXNPFEDSA-N 326.484 4.530 0 50 EJAA c1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1 71704 ZPBRITYUMNFHMB-UHFFFAOYSA-N 325.415 4.951 0 50 EJAA Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 263646 ZIVIRTPOIIZKNA-UHFFFAOYSA-N 333.387 4.805 0 50 EJAA Cc1nc(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cs1 387116 WJVKMPHGUFXANT-ZDUSSCGKSA-N 338.432 4.525 0 50 EJAA Cc1ccc(OCc2nc(-c3cc(C)nc4ccccc34)no2)c(C)c1 1426811 DEDJNIPAYFGKHT-UHFFFAOYSA-N 345.402 4.789 0 50 EJAA CCCCCSc1nc2ccccc2c(=O)n1Cc1ccccc1 2117784 VVXVTUAZENLWCC-UHFFFAOYSA-N 338.476 4.727 0 50 EJAA CCc1cc(OCCCOc2ccc(C=O)cc2OC)ccc1Cl 2984130 FNQUEVLZVSLZGB-UHFFFAOYSA-N 348.826 4.571 0 50 EJAA COc1ccccc1Nc1nc(-c2c(C)nc3sccn23)cs1 4135703 OSMGQIJONWFPRJ-UHFFFAOYSA-N 342.449 4.580 0 50 EJAA CCCCCC[P@](=O)(OC)Oc1ccc2c(C)cc(=O)oc2c1 116453307 UDTZADITECBVLJ-QHCPKHFHSA-N 338.340 4.900 0 50 EJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 242106197 WHULTPQZMBCPJQ-PYXYIPKBSA-N 337.916 4.762 0 50 EJAA Cc1cc([S@](=O)Cc2cccc3ccccc23)ncc1C(F)(F)F 1875322672 ADFIRZPMGADYTC-XMMPIXPASA-N 349.377 4.870 0 50 EJAA Cc1ccc(-c2n[nH]cc2CN2CCc3ccc(C(C)(C)C)cc3C2)o1 2325829930 WSDUJYTVGREAFN-UHFFFAOYSA-N 349.478 4.834 0 50 EJAA Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 461971 JMFRXTSESSRTKM-UHFFFAOYSA-N 337.341 4.648 0 50 EJAA C[C@H]1CCc2c(C(=O)N[C@@H]3CCCc4ccccc43)csc2C1 1460318 WJGVSNBXPNQRGK-SCLBCKFNSA-N 325.477 4.680 0 50 EJAA CCCOC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 2970028 GKQABWXBGSOULR-UHFFFAOYSA-N 333.387 4.659 0 50 EJAA C[C@H]1CCc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)csc2C1 4651165 VGSZCWPSBVDMLQ-JHMRYYBSSA-N 343.536 4.819 0 50 EJAA CCCOc1ccccc1C(=O)Nc1nc2ccc(C)cc2s1 4808926 UIABKJFNIAJJKR-UHFFFAOYSA-N 326.421 4.646 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Cc1coc2ccc(C)cc12 4827389 KXYHWDWVLLUMKR-UHFFFAOYSA-N 329.783 4.584 0 50 EJAA CC(C)c1nc2cc(C(=O)N3CCC[C@@H](c4ccccc4)C3)ccc2o1 12051632 VIAISCBCSBZGMP-GOSISDBHSA-N 348.446 4.971 0 50 EJAA S=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 13325879 DCHNXDCNLICJKU-UHFFFAOYSA-N 337.275 4.749 0 50 EJAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccccc1Oc1ccccc1 219629683 MRTICTUSNMLONJ-QGZVFWFLSA-N 339.435 4.510 0 50 EJAA CCC[C@@H]1OC[C@@]2(COC(=O)c3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 251156924 NXYZFNXQKYPHHD-SRVURFJDSA-N 342.479 4.877 0 50 EJAA CCCSCc1nnc2sc(-c3cccc4ccccc34)nn12 1775972126 HBFYOLBFSLIFGA-UHFFFAOYSA-N 340.477 4.649 0 50 EJAA COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(F)c2)cc1 183485 VKZRQMPERUOMOZ-FQEVSTJZSA-N 348.377 4.605 0 50 EJAA C[C@@H](NC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2)c1ccncc1 2749591 OJKKOMHCXGITHT-HIFRSBDPSA-N 342.508 4.785 0 50 EJAA Cc1cc(F)ccc1NC(=O)c1cccc(OC(F)(F)C(F)F)c1 2762325 CBERMBFLJNETJJ-UHFFFAOYSA-N 345.267 4.623 0 50 EJAA Cc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)c(O)c1 3876296 HZENENAVKUOEEZ-UHFFFAOYSA-N 329.197 4.520 0 50 EJAA O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccccc1 4804030 ZPWRWKBWMHCTKZ-NTCAYCPXSA-N 342.373 4.695 0 50 EJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)C2CCCCC2)C1 12432983 HNSJIAJPRVWSOL-INIZCTEOSA-N 347.886 4.650 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 13783451 PQCRZWCSVWBYSC-MERXZDIISA-N 328.452 4.570 0 50 EJAA biogenic CCCC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1cc2ccccc2o1 65493057 NABMXMMORSKAFV-INIZCTEOSA-N 348.402 4.646 0 50 EJAA Cc1nc(C2CCCC2)sc1C(=O)Nc1c(C)noc1C1CC1 156601235 PQNSFPWEFSPTLU-UHFFFAOYSA-N 331.441 4.535 0 50 EJAA CC(C)[C@@H](NC[C@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 170066034 KPLQFLFKLDPIEF-OPAMFIHVSA-N 348.446 4.846 0 50 EJAA Cc1cc(C)c(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c(C)n1 253392481 CWVIRCFALJPBKM-OAHLLOKOSA-N 338.451 4.588 0 50 EJAA O=C(O)C1CCC(N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC1 263380355 BNHQJKGGJYVGDS-CNBHCMJISA-N 335.447 4.574 0 50 EJAA O=C(O)C1CCC(N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 263435964 UPGSGDVACISVAY-ZEPSKSRBSA-N 342.266 4.678 0 50 EJAA CC(C)C1CCC(OC(=O)C2CCN(Cc3ccccc3)CC2)CC1 1875334806 FKMBAGOWPLHKEB-UHFFFAOYSA-N 343.511 4.657 0 50 EJAA S=c1[nH]nc(-c2ccccc2Br)n1C1CCCCC1 71480 PABXUZQWJPPXDT-UHFFFAOYSA-N 338.274 4.875 0 50 EJAA c1ccc(-c2csc3ncnc(Oc4ccc5c(c4)OCO5)c23)cc1 390182 DVJLNQLJRZIHKT-UHFFFAOYSA-N 348.383 4.879 0 50 EJAA Cc1ccc2occ(CC(=O)Nc3ccccc3Br)c2c1 1060736 JDIXPVUOPZAYCC-UHFFFAOYSA-N 344.208 4.685 0 50 EJAA CCCCc1ccc(-n2c(S)nnc2-c2ccccc2F)cc1 2741169 BBDAVOJGDYWMKH-UHFFFAOYSA-N 327.428 4.705 0 50 EJAA Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 2876908 MDSCTZLCYPIHOG-UHFFFAOYSA-N 348.446 4.817 0 50 EJAA CCc1cc(OCCOc2cccc3cccnc23)ccc1Cl 2985919 QYINODDTDKCFFD-UHFFFAOYSA-N 327.811 4.908 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC[C@@H]1CCCO1 10155755 IREGWBXWWBLUGA-HNNXBMFYSA-N 346.814 4.542 0 50 EJAA O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)cc(O)c12 18107177 HIYMWHBMOOSAEF-UHFFFAOYSA-N 344.366 4.745 0 50 EJAA biogenic Fc1ccc(-n2ncc3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1 20604745 FWUAFFSHPSXSQW-UHFFFAOYSA-N 347.271 4.838 0 50 EJAA O=C(c1ccc(CN2CCCCCC2)cc1)N1CCCc2ccccc21 30946829 IQOQRZNQJAJAOZ-UHFFFAOYSA-N 348.490 4.656 0 50 EJAA CN1/C(=C\C(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C 32116883 LDCABCUQAIBQFL-PDGQHHTCSA-N 340.854 4.586 0 50 EJAA biogenic,in-vitro CC[Si](CC)(c1ccccc1)[Si](CC)(CC)c1ccccc1 169817208 PKFRYAIOKDRGIB-UHFFFAOYSA-N 326.632 4.856 0 50 EJAA C[Si](C)(C)N(Cc1ccc(Br)cc1)[Si](C)(C)C 195839119 OKYGLTUIDZRFGS-UHFFFAOYSA-N 330.418 4.921 0 50 EJAA in-vitro C[C@H](N[C@H](C)Cc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244817046 STMYRUWDJOTNRT-USVGHLGWSA-N 347.930 4.580 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@@]12C 257346167 SYTVBUBBHFDVIK-ULHUPKOHSA-N 332.484 4.530 0 50 EJAA Cc1cc(CCC(=O)Nc2ccccc2NCC2CCCCC2)no1 935320875 FTJQBSRFHUGNKG-UHFFFAOYSA-N 341.455 4.547 0 50 EJAA FC1(F)C2(CCC2)C12CCN(c1cc(-c3ccccc3)cnn1)CC2 1875408537 YRDILXKSQZKKHG-UHFFFAOYSA-N 341.405 4.549 0 50 EJAA O=c1[nH]c(SCc2ccc(Cl)cc2Cl)nc2ccccc12 68812 ZNBCXRBITJGWFY-UHFFFAOYSA-N 337.231 4.522 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1csc2c1CCCC2 194906 OUYRMXYZJVSFQQ-UHFFFAOYSA-N 325.355 4.898 0 50 EJAA CC(C)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 224587 UKSPFKLGFRISDJ-UHFFFAOYSA-N 348.240 4.590 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 609315 VQZJNIGNXDTFBP-UHFFFAOYSA-N 332.359 4.726 0 50 EJAA O=C(CCSc1ccc(Br)cc1)c1ccc(F)cc1 2531686 WMMBSYMFUKBBHL-UHFFFAOYSA-N 339.229 4.953 0 50 EJAA COc1ccc(CN2CCCC[C@@H]2c2cccnc2)c2ccccc12 4982693 NAHNPQKHHDCWMN-OAQYLSRUSA-N 332.447 4.971 0 50 EJAA Cc1ccoc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1CC(C)C 11709614 NLYKKAGNVOFRQZ-SFHVURJKSA-N 336.435 4.855 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(F)ccc1F 13325596 HTLJFWIVFJGTBZ-UHFFFAOYSA-N 348.736 4.834 0 50 EJAA CCCN(Cc1nc(-c2ccc(SC)cc2)oc1C)CC1CC1 20256868 FEIMGANPMNAEMS-UHFFFAOYSA-N 330.497 4.994 0 50 EJAA CC(C)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)n1 72151141 NPLBHYCLYIAADQ-UHFFFAOYSA-N 343.434 4.755 0 50 EJAA Cc1cc(C)c2c(c1)CCN(C(=O)Nc1ccc3[nH]c(C)cc3c1)C2 188884674 KCRPWUCMOACGPL-UHFFFAOYSA-N 333.435 4.683 0 50 EJAA O=C(Nc1cccc2c1CCCC2)N1CCCC[C@H]1c1cccnc1 299794973 KVBDMTGYQSFECB-FQEVSTJZSA-N 335.451 4.720 0 50 EJAA O=C(NC1(Cc2ccc(Cl)cc2)CCC1)[C@H](F)c1ccccc1 1436540800 KRSVZMSMWNIXAT-QGZVFWFLSA-N 331.818 4.632 0 50 EJAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1Cl 74837 CHGQWULKXJXECG-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA O=C(Nc1ccc(Br)cc1)Nc1ccccc1Cl 397978 NYAZLGCEBGXYEJ-UHFFFAOYSA-N 325.593 4.747 0 50 EJAA C[C@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 406583 FOINBVXLWLHZNX-PKOBYXMFSA-N 344.458 4.506 0 50 EJAA Fc1ccc(-n2c(S)nnc2-c2ccccc2Cl)cc1Cl 477227 FGMDXISDUBEHMJ-UHFFFAOYSA-N 340.210 4.669 0 50 EJAA Cc1cc(C)cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 2750711 RLPKADDSJSPDMT-UHFFFAOYSA-N 337.341 4.635 0 50 EJAA CCCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1 2853841 WVUVQQITOJLDHH-UHFFFAOYSA-N 338.451 4.790 0 50 EJAA Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1C 2924030 KWQAKPOIDLHATI-QGZVFWFLSA-N 334.246 4.758 0 50 EJAA CCCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1 4814353 USDKDUDKUXADFB-UHFFFAOYSA-N 338.451 4.728 0 50 EJAA CC(=O)c1ccc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5061043 PBQITBAJSJODAI-HILYYZTDSA-N 340.467 4.616 0 50 EJAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CCCC1)O2 5716138 NRGYEWCDAHNGOH-OAHLLOKOSA-N 328.799 4.747 0 50 EJAA Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1cccs1)C2 10156564 BFIXVZVZAAEJMT-ZDUSSCGKSA-N 335.432 4.503 0 50 EJAA C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccncc1 12383954 WWOCZJVVEUTKBN-VIFPVBQESA-N 334.803 4.580 0 50 EJAA C[C@H](c1cccc(-c2c(-c3ccccc3)ncn2CCF)c1)N(C)C 65503687 MENNNFBUJYPOST-MRXNPFEDSA-N 337.442 4.809 0 50 EJAA O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccc(C(F)F)c1 171552695 NPGHNSJQIBURIY-MSOLQXFVSA-N 345.389 4.522 0 50 EJAA CC(C)(C)N[C@H]1C=C([Si](C)(C)C)Sc2nc3ccccc3n21 675010858 YNJZTAURWPMPBJ-CQSZACIVSA-N 331.561 4.790 0 50 EJAA C[C@H](NC[C@@H](O)c1cc2ccccc2s1)c1ccc(C(F)F)nc1 850441454 ZAGGZFQPDISTGE-XHDPSFHLSA-N 348.418 4.618 0 50 EJAA COc1cc(-c2nc(-c3ccccc3Cl)no2)c2ccccc2n1 904567220 PEKVUAYCUAMMDA-UHFFFAOYSA-N 337.766 4.614 0 50 EJAA O[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3ccccc3)s1)C2 1704299220 FQPKYCNJZLBIKG-WOJBJXKFSA-N 327.493 4.542 0 50 EJAA C[C@@H]1CCc2sc3ncnc(Nc4ccc(N(C)C)cc4)c3c2C1 85750 IHNPNYIENBLEFY-GFCCVEGCSA-N 338.480 4.626 0 50 EJAA O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1 97877 IJKSMTWRBGIMRJ-UHFFFAOYSA-N 334.853 4.681 0 50 EJAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC1CCCCCCCCCCC1 133421 QEEPPGIQINMYNK-ROUUACIJSA-N 337.504 4.667 0 50 EJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 144381 MUXGAFIHKWNYFG-CQSZACIVSA-N 347.842 4.842 0 50 EJAA CCn1c(SCc2ccccc2F)nc2sc(C)c(C)c2c1=O 529503 AAVGUZZUJOHLGC-UHFFFAOYSA-N 348.468 4.526 0 50 EJAA Cc1nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2nc1C 2880974 IJJQWVYDRKJXDC-UHFFFAOYSA-N 345.324 4.518 0 50 EJAA O=C(NC(=S)Nc1ccc2oc3ccccc3c2c1)c1ccccc1 4892149 OXJPFSAPCSSIOO-UHFFFAOYSA-N 346.411 4.713 0 50 EJAA Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@@H](C)CC[C@@H]1C(C)C 170630092 WTUOMKNZIGCFKE-WMLDXEAASA-N 334.508 4.759 0 50 EJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N)ccc1Cl 200011456 YZPRSOAXXXOMLJ-UHFFFAOYSA-N 342.823 4.599 0 50 EJAA COCCn1cc(-c2ccc(Oc3ccccc3Cl)cc2)cn1 1875340018 IGPDBDDVAMFOBI-UHFFFAOYSA-N 328.799 4.642 0 50 EJAA CCOc1cc2oc(C)c(Oc3ccccc3F)c(=O)c2cc1CC 306414 CBAJNJDCRCUZAR-UHFFFAOYSA-N 342.366 4.994 0 50 EJAA COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)c2ccco2)cc1 468693 ATXONJCWKBKXOY-LJQANCHMSA-N 335.403 4.757 0 50 EJAA c1ccc(CN2CCN(Cc3ccccc3)C2c2ccccc2)cc1 19228334 DBFSGTXNKFBZCH-UHFFFAOYSA-N 328.459 4.703 0 50 EJAA C/C(=C\c1ccccc1)CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 22587878 CXCQNUVBQHLPCJ-WKQLCDHFSA-N 338.539 4.819 0 50 EJAA COP(=O)(OC)O/C(=C\Cl)c1ccc(Cl)cc1Cl 43068330 QSGNQELHULIMSJ-POHAHGRESA-N 331.519 4.948 0 50 EJAA Cc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cccs2)[nH]n1 67473146 IAHANZAXEFZISV-AWEZNQCLSA-N 334.448 4.919 0 50 EJAA Cc1ccc(C(F)(F)F)cc1NCc1csc([C@H]2CCCO2)n1 134868413 YDBWGPULRUCDNT-CQSZACIVSA-N 342.386 4.934 0 50 EJAA Cc1cc(Cl)ccc1C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 165482833 CGTMHYAFNVHYRQ-LBPRGKRZSA-N 347.846 4.570 0 50 EJAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2[nH]ccc12 263588592 WBBVCDHFTCPJNX-SFHVURJKSA-N 335.432 4.649 0 50 EJAA O=C(O)c1ccccc1C1CCN([C@@H]2CCCc3ccccc32)CC1 364837525 GUHGEWGLEBYSCR-OAQYLSRUSA-N 335.447 4.642 0 50 EJAA Clc1cncc(N2CCC[C@@H]2c2nc(C3CCCCC3)co2)n1 366012386 UGVHOOJYUPMVQN-CQSZACIVSA-N 332.835 4.507 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)COc1ccc(Cl)cc1 952871716 CEJSESQAFGBSAI-SFHVURJKSA-N 346.858 4.504 0 50 EJAA Cc1cccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1 190365 LNNOBBMQWHEDQS-SFHVURJKSA-N 330.431 4.576 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccncc2)cc1 335357 MISGYSWXLAXQAX-OAQYLSRUSA-N 342.442 4.643 0 50 EJAA COc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1Cl 443264 ODDDCFRCRDEWEG-UHFFFAOYSA-N 341.794 4.519 0 50 EJAA COc1c(C)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 454686 WZWRFCILHZYXMH-UHFFFAOYSA-N 343.732 4.928 0 50 EJAA COc1ccccc1-c1cc(C(=O)O)c2ccc(Cl)c(C)c2n1 2526031 OOUWSZYSLOCIEU-UHFFFAOYSA-N 327.767 4.570 0 50 EJAA CC(C)c1ccc(C(=O)C[C@@H](C(=O)O)c2c[nH]c3ccccc23)cc1 2543459 PTZCDQVNXDWXFD-QGZVFWFLSA-N 335.403 4.733 0 50 EJAA CCCOc1cccc(C(=O)Nc2nc3c(Cl)cccc3s2)c1 2860109 JVVOZEBGAIMALF-UHFFFAOYSA-N 346.839 4.991 0 50 EJAA CCCOc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1 2898925 DFCVNWCJSXLTTM-UHFFFAOYSA-N 328.339 4.822 0 50 EJAA Oc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 2983471 IMTOUFRGGYTBEV-UHFFFAOYSA-N 332.222 4.945 0 50 EJAA CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCO 5067040 XLMXUUQMSMKFMH-UZRURVBFSA-N 342.520 4.530 0 50 EJAA CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 6709622 FOIQMIVNEFIBMJ-UHFFFAOYSA-N 347.418 4.534 0 50 EJAA C[C@@H](Cc1ccc(OCCCc2ccccc2)c(Cl)c1)C(=O)O 43191089 AHHBRWBRRYTQRU-AWEZNQCLSA-N 332.827 4.615 0 50 EJAA Cc1cccc([C@H]2CCCN(C(=O)c3cc4cccc(C)c4n3C)C2)c1 95376826 LPJQCTKXHXIZCD-FQEVSTJZSA-N 346.474 4.815 0 50 EJAA CCc1noc([C@@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 170627036 VGCCFZDLJFINGT-CYBMUJFWSA-N 334.423 4.933 0 50 EJAA Clc1ccc2nc([C@@H]3CCCN3c3nc4ccccc4o3)[nH]c2c1 428694981 UPQNFXLOSQLGRQ-HNNXBMFYSA-N 338.798 4.699 0 50 EJAA Cc1ccc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nc1 1875328973 VRAAZEMUZQEEBG-INIZCTEOSA-N 328.419 4.878 0 50 EJAA COC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(Cl)cc1 2050024844 CTECPVQZKCEHCV-UHFFFAOYSA-N 345.807 4.933 0 50 EJAA CC(C)(C)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 126789 STIAZJGJZHSLQI-UHFFFAOYSA-N 339.258 4.557 0 50 EJAA COc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc12 424857 MDADCSUUBYFUNO-UHFFFAOYSA-N 335.384 4.592 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Cc1ccccc1 609183 YFAXKKXUQNQSBJ-UHFFFAOYSA-N 346.386 4.650 0 50 EJAA CC[C@@H](C)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 859746 JPKOIPRXKQNLGP-CQSZACIVSA-N 331.481 4.926 0 50 EJAA Cc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1049644 CVBXDAIECMBREF-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA COc1ccc(C(=O)[C@H](Nc2ccccc2)c2ccc(OC)cc2)cc1 2036606 ORTUWVAVWIPHBH-OAQYLSRUSA-N 347.414 4.740 0 50 EJAA Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 2669180 ISOZYINDYLRKQL-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA O=C(Nc1nc2ccccc2s1)Nc1ccccc1C(F)(F)F 3091329 MVUQEEFAVLNNGO-UHFFFAOYSA-N 337.326 4.959 0 50 EJAA O=C(Nc1ccccc1Cl)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4955906 IZNCOMVUSQSJNF-KBPBESRZSA-N 340.637 4.866 0 50 EJAA COc1cccc([C@H](C)NC(=S)Nc2cccc3ccccc23)c1 13932529 IHWBLCAILRXXIL-AWEZNQCLSA-N 336.460 4.896 0 50 EJAA Cc1nc2ccc(C(=O)N3CCCCC[C@@H]3c3ccco3)cc2nc1C 97323969 UPAZMRJROYODOP-LJQANCHMSA-N 349.434 4.597 0 50 EJAA Cc1cc(N(C)C)ccc1NC(=O)C[C@@H](C)c1c[nH]c2ccccc12 170615764 JPCXNWMOTLZFQK-CQSZACIVSA-N 335.451 4.675 0 50 EJAA CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(F)cc2O)c1 299762406 VWRCSYKUZSJRRR-GOSISDBHSA-N 341.426 4.993 0 50 EJAA CCOc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC 94864 AAXAIRZTLQXHGF-UHFFFAOYSA-N 340.206 4.653 0 50 EJAA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccco1 191225 UATFVVJMEZXBJQ-UHFFFAOYSA-N 339.203 4.962 0 50 EJAA CCc1ccccc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 243495 CYSQBFQKLMKXSG-SFHVURJKSA-N 344.458 4.830 0 50 EJAA Cc1nc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2s1 381959 FMABYCDVEGGHGV-UHFFFAOYSA-N 338.766 4.789 0 50 EJAA Cc1cccc(OCCCC(=O)Nc2ccc(Br)cc2)c1 1775863 UAOJYRZGQHTIJX-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA CC(C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)C(C)C 2054820 MAHIPCQCTBFFDO-UHFFFAOYSA-N 332.271 4.798 0 50 EJAA O=C(/C=C/c1ccccc1)Oc1ccc(C2SCCS2)cc1 2534611 RGJPZEVWVIVLRI-IZZDOVSWSA-N 328.458 4.784 0 50 EJAA CCCOc1ccc(C(=O)CCNc2ccc(F)c(Cl)c2)cc1 2839683 WNKARXNVSBLAMY-UHFFFAOYSA-N 335.806 4.953 0 50 EJAA CCc1sc(NC(=O)Cc2ccc(F)cc2)nc1-c1ccccc1 6397964 UEHLTUAKPAHHCS-UHFFFAOYSA-N 340.423 4.693 0 50 EJAA Cc1ccsc1CCn1cnc(-c2ccccc2)c1-c1nccn1C 65533944 DNMUDCIXWMOXKD-UHFFFAOYSA-N 348.475 4.563 0 50 EJAA C[C@H]1CCC[C@H](C)N1CC(=O)OC(c1ccccc1)c1ccccc1 96027615 WGPIBJKFCPLPKD-ROUUACIJSA-N 337.463 4.582 0 50 EJAA Cc1cccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 101512788 ILZRVBWTTJKFOR-KBUPBQIOSA-N 338.278 4.790 0 50 EJAA aggregator O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC[C@@H]1c1cccs1 120739896 MOKNYZJTVOYHRH-CQSZACIVSA-N 348.855 4.705 0 50 EJAA Clc1ccc(OCc2csc([C@H]3CCCO3)n2)cc1Cl 124498428 AVTAQORSFKUPBZ-CYBMUJFWSA-N 330.236 4.880 0 50 EJAA CN(C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)C1CCCCCCC1 170631354 UYMUQBOQYKCYGM-AEFFLSMTSA-N 338.536 4.582 0 50 EJAA CCC[C@@H](C(=O)Nc1cc(C(C)C)c(O)cc1C)c1ccccn1 253407983 QWEQBOVFNDIRCY-OAHLLOKOSA-N 326.440 4.741 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253498180 ILCTUFVQFCIIDS-HNWQHMRLSA-N 332.484 4.530 0 50 EJAA CCn1c(C)cc2cc(NC(=O)N(Cc3ccncc3)C3CC3)ccc21 299787615 ODOVLYFFFLMCOX-UHFFFAOYSA-N 348.450 4.561 0 50 EJAA O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccoc1C1CC1 684914897 FNYVENYABSUAJF-UHFFFAOYSA-N 335.407 4.874 0 50 EJAA Cc1coc(-c2cccc(NCc3c(Cl)n[nH]c3C3CC3)c2)n1 921911379 PTNJZNBCGWWVLI-UHFFFAOYSA-N 328.803 4.516 0 50 EJAA CCSc1ccccc1NC(=O)c1ccc([C@H]2CCCO2)s1 952970075 QAMQQCFRKQUFBM-CYBMUJFWSA-N 333.478 4.964 0 50 EJAA CC[C@H](c1cccnc1)N(C)Cc1ccc(F)c(C(F)(F)F)c1 1506407864 SMPASYWWZGRWAH-MRXNPFEDSA-N 326.337 4.823 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)cc1C 1875302982 PWFAKTNBYVCWNY-UHFFFAOYSA-N 332.465 4.677 0 50 EJAA CCc1cc(=O)oc2cc(OCc3cccc(C(F)(F)F)c3)ccc12 91112 KTCRGRNYDQRPNR-UHFFFAOYSA-N 348.320 4.953 0 50 EJAA COc1ccc(NC(=O)/C=C/c2ccc(CC(C)C)cc2)c(OC)c1 2570954 RSUKGYDZAGBMNM-FMIVXFBMSA-N 339.435 4.554 0 50 EJAA COc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 3258669 AGLHANFYWJESSK-UHFFFAOYSA-N 347.370 4.856 0 50 EJAA biogenic COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 5671289 VDKTYIPSFHXBCZ-LAUBAEHRSA-N 346.386 4.531 0 50 EJAA COc1ccccc1-c1cc2nc(C)cc(Nc3cccc(C)c3)n2n1 15670915 NQTQTXZWDSBDIP-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA O=Cc1c(C2CC2)oc2ccc(OCc3ccc(Cl)nc3)cc12 52530231 PNKHVCKNLXQIJK-UHFFFAOYSA-N 327.767 4.750 0 50 EJAA COc1cccc([C@@H]2CCCN2C(=O)c2cccc3cc(C)oc23)c1 77355201 ZXPVMSGNTPVLRA-IBGZPJMESA-N 335.403 4.727 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257359013 XXSFRYVGIQYVIQ-KNPSMPPGSA-N 330.512 4.761 0 50 EJAA O=C(CSCc1ccccc1Cl)NCc1ccc(Cl)cc1 454183 UCCJKTJTBQUKSY-UHFFFAOYSA-N 340.275 4.543 0 50 EJAA Cc1ccc(OCCOC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2983234 XOWNINKIBSSXDW-UHFFFAOYSA-N 340.206 4.929 0 50 EJAA CCOc1cc(CNCc2ccco2)ccc1OCc1ccccc1 4488573 DVYVFKCGMBSCBZ-UHFFFAOYSA-N 337.419 4.547 0 50 EJAA COc1cccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@@H]3C2)c1 6832565 BDTPXVPXFDPGSX-FPOVZHCZSA-N 336.435 4.611 0 50 EJAA Cc1ccc2[nH]c(C(=O)N(C)[C@H](C)c3nc(C)sc3C)c(C)c2c1 91445105 JBALIIYJBKFJPB-GFCCVEGCSA-N 341.480 4.691 0 50 EJAA CN(C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1)C1CCOCC1 96162269 FACJKJAXWCTWMA-UHFFFAOYSA-N 344.842 4.650 0 50 EJAA CC(C)c1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)no1 163852959 HWHJHMFHIUXVEU-SFHVURJKSA-N 337.423 4.647 0 50 EJAA CN(C)c1cccc(Cl)c1CNCc1ccccc1C(F)(F)F 1461117657 AIVHEVMUBORWEX-UHFFFAOYSA-N 342.792 4.715 0 50 EJAA CC(C)C1CCC([C@](C)(O)CNCc2cc3ccc(F)cc3[nH]2)CC1 2325842371 WGHAPKVXRIQZPY-AEJJIKPWSA-N 346.490 4.610 0 50 EJAA C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 182600 WIPLFLKYMVWDOU-HNNXBMFYSA-N 329.399 4.802 0 50 EJAA Cc1cc2sc(NC(=O)COc3ccccc3C)nc2cc1Cl 467874 GIZZPDZHQDNYFE-UHFFFAOYSA-N 346.839 4.584 0 50 EJAA COc1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 619332 BWKXDKYYWPCJGW-UHFFFAOYSA-N 326.343 4.523 0 50 EJAA CCN(CC)[C@H]1C(O)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 6783628 VBMSIUSIEAGKMP-QZTJIDSGSA-N 328.843 4.784 0 50 EJAA Cc1[nH]c2c(C(=O)N3CCC[C@H](Nc4ccccc4)C3)cccc2c1C 11666526 ACOYPMDQNLHHSR-SFHVURJKSA-N 347.462 4.501 0 50 EJAA CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1Cl)NCC2 20506834 SFKIMETUOKTCFK-LJQANCHMSA-N 349.833 4.512 0 50 EJAA c1ccc(SCc2nc([C@H]3CCOC3)nn2C2CCCCC2)cc1 96141819 HZKBOQILKHCPDT-HNNXBMFYSA-N 343.496 4.580 0 50 EJAA Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(C)c1Cl 165571457 NCWHUTSMYSKKOK-UHFFFAOYSA-N 344.842 4.804 0 50 EJAA O=C(NC1CCC(c2ccccc2)CC1)c1cnc2c(F)cccc2c1 1264418855 FZBHOUKFCVUKQH-UHFFFAOYSA-N 348.421 4.830 0 50 EJAA C[C@@H](NCCc1ccc2[nH]ccc2c1)c1ccccc1Br 1875341442 UAALPQIYFXGQMS-CYBMUJFWSA-N 343.268 4.824 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccc1Cl 433883 XVWREJZINJMECU-UHFFFAOYSA-N 348.189 4.604 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 449667 HPLZCKUATZZSES-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA CC(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 608456 DWIVDTFVJLDXAI-UHFFFAOYSA-N 343.839 4.551 0 50 EJAA Cc1ccc(-n2cc(C=O)c(-c3ccc(Cl)cc3Cl)n2)cc1 732194 NSBRQFHRAZGPPU-UHFFFAOYSA-N 331.202 4.967 0 50 EJAA COc1ccc(CNC2CCC(c3ccccc3)CC2)cc1OC 757007 AQLLYIHTYCBTGA-UHFFFAOYSA-N 325.452 4.520 0 50 EJAA O=C(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 1393656 DHQIBPUGSWVDOH-UHFFFAOYSA-N 334.371 4.543 0 50 EJAA biogenic O=c1cc(C(F)(F)F)c2ccc(OC/C=C/c3ccccc3)cc2o1 2811751 QXIYECQXFSYKJD-QPJJXVBHSA-N 346.304 4.904 0 50 EJAA CSc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 4618330 BWLHYNKPZZNCPT-UHFFFAOYSA-N 348.276 4.516 0 50 EJAA C[C@H](CCc1ccccc1)NCc1ccc(-c2cccc(C(=O)O)c2)o1 12383462 LRBJHAKGYIYZHC-MRXNPFEDSA-N 349.430 4.756 0 50 EJAA Cc1scc(C(=O)Nc2c(F)cc(F)cc2Br)c1C 13325655 CFBOSVLRPUYDIY-UHFFFAOYSA-N 346.196 4.658 0 50 EJAA Cc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 15839889 UBJWFGVJNNWDDS-IBGZPJMESA-N 336.822 4.563 0 50 EJAA COC(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)c(F)c1 97757034 IQONBTRNIFRYNN-UHFFFAOYSA-N 336.362 4.858 0 50 EJAA CCn1nncc1CN[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 459397279 GUQAMJPIGDGBEJ-LBPRGKRZSA-N 346.887 4.531 0 50 EJAA c1cc(-c2ccc(OC3CC3)cc2)c2ccn(CCN3CCCC3)c2c1 1875407494 BEBBDKZJIBMMOE-UHFFFAOYSA-N 346.474 4.945 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 54637 WWBJGWFZEVFXCW-UHFFFAOYSA-N 333.387 4.805 0 50 EJAA COC(=O)c1c(C)oc2ccc(OCc3c(F)cccc3Cl)cc12 83655 MSGWRGLCBXBVIF-UHFFFAOYSA-N 348.757 4.899 0 50 EJAA biogenic CCc1cccc(CC)c1NC(=O)c1cccc(Br)c1 145152 RYJGPRNTLFKURX-UHFFFAOYSA-N 332.241 4.826 0 50 EJAA COc1ccc(CCN(C)Cc2cccc3ccccc23)cc1OC 272591 OSTRREFNAIAIQV-UHFFFAOYSA-N 335.447 4.532 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 315148 FKXFDOHMJZWCGK-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc21 355658 YJTHHNJHTVYAGL-UHFFFAOYSA-N 328.362 4.809 0 50 EJAA COc1cccc(C(=O)Nc2ccc([C@@H]3CC3(Cl)Cl)cc2)c1 465350 DXVPQIOUPUSTMC-HNNXBMFYSA-N 336.218 4.609 0 50 EJAA Cc1cc2nc(-c3ccc(OC(C)C)cc3)cc(C(F)(F)F)n2n1 469934 WLVJXMSLKYQQND-UHFFFAOYSA-N 335.329 4.511 0 50 EJAA CCOc1cc(C)c(/C=C2\SC(=O)N(CC)C2=O)cc1C(C)C 1179917 JVBUPKZPJRALPG-YBEGLDIGSA-N 333.453 4.573 0 50 EJAA COc1ccc(Cl)cc1NC(=O)CCCOc1cc(C)ccc1C 1904223 JNFACPRBYHJLDF-UHFFFAOYSA-N 347.842 4.763 0 50 EJAA Cc1ccc(OCCOc2cccc3ccc(C)nc23)c(Cl)c1 2823409 UYZSHLNKRGNSLU-UHFFFAOYSA-N 327.811 4.963 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 4081561 FDCINQSOYQUNKB-TYINLYHXSA-N 332.484 4.530 0 50 EJAA biogenic Cc1cccc(-c2cc([C@H]3CCN(Cc4ccco4)C3)ccn2)c1C 65435219 WJVKPOABYFOFLV-IBGZPJMESA-N 332.447 4.948 0 50 EJAA CC[C@@H](CC(F)(F)F)NC(=O)c1sc(-c2cccs2)nc1C 170595304 FKEMMYGSGJGICK-VIFPVBQESA-N 348.415 4.641 0 50 EJAA Cc1nc(C(F)(F)F)c(CN2CC(C)(C)[C@@H]2c2cccs2)s1 241139449 JQZZMPLYMIKOFY-ZDUSSCGKSA-N 346.443 5.115 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1cccc(CC(C)C)c1 2325842003 LRJBGNMLFGRUBN-TZIWHRDSSA-N 339.523 4.695 0 50 EJAA CN(C)c1ccc([C@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 458730 QLISHXSSZNUPKS-SFTDATJTSA-N 349.474 4.869 0 50 EJAA Cc1cc(Cl)c2cc(Br)cc(Br)c2n1 2564352 UJAIYNLCWBKOPO-UHFFFAOYSA-N 335.426 4.722 0 50 EJAA CC(=O)c1sc2ccccc2c1OC(=O)c1cccc(Cl)c1 2812161 CYJHFXJPIVGZGX-UHFFFAOYSA-N 330.792 4.977 0 50 EJAA S=C(Nc1ccccc1)N(Cc1ccco1)Cc1cccs1 3033248 LVWHXSDAJZXDOQ-UHFFFAOYSA-N 328.462 4.740 0 50 EJAA Nc1ccc(-c2nc3ccc(-c4nc5ccccc5o4)cc3[nH]2)cc1 5075195 UXSGJSHUANWDRS-UHFFFAOYSA-N 326.359 4.620 0 50 EJAA aggregator CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(OCC)cc2)cc1 13752092 JJVRZQVJPKVTJZ-AWEZNQCLSA-N 344.480 4.532 0 50 EJAA FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3cccnc3)C2)c1 71746816 GPLUJSANTXLWRY-QGZVFWFLSA-N 348.412 4.945 0 50 EJAA Cc1nn(C)c2nc(N3CCCCC[C@@H]3c3cccc(F)c3)sc12 96162467 SVFRJDPDZPMUOI-OAHLLOKOSA-N 344.459 4.599 0 50 EJAA C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(-c3ccncc3)cc2F)C1 170606859 RDXJWDYYYVGSKU-OPAMFIHVSA-N 347.437 4.866 0 50 EJAA C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(CC(F)(F)F)c1 174321603 DUIBFHCLKLDPSM-CYBMUJFWSA-N 348.368 4.943 0 50 EJAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254046651 IQGZWLYDESGLID-IUOZABMSSA-N 330.512 4.905 0 50 EJAA Cc1ccc(Sc2c(C)nn(C(=O)c3ccc(F)cc3)c2C)cc1 189870 CDGQSICUOSVLGX-UHFFFAOYSA-N 340.423 4.787 0 50 EJAA O=C(Nc1nc2c(s1)CCCC2)c1ccc(-c2ccccc2)cc1 190945 HBAOZFMNBADBOS-UHFFFAOYSA-N 334.444 4.941 0 50 EJAA O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc(Cl)c1 457255 PWNATMAUVOHISP-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA CCc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 471128 JCABNDQBHMKZDA-UHFFFAOYSA-N 331.415 4.934 0 50 EJAA Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)c1 1407907 SKTFDNYNCRPXCA-XLIONFOSSA-N 334.350 4.661 0 50 EJAA CCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 2138836 CMXSHTHSXHDFJN-UHFFFAOYSA-N 329.787 4.672 0 50 EJAA Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2C2CCCCC2)cc1C 4057168 KAXKGOOKBJMXNP-FQEVSTJZSA-N 335.451 4.598 0 50 EJAA Cc1ccc(-c2nnc(CSc3nccc4ccccc34)o2)cc1 15109028 YZOQSKZLTMUEER-UHFFFAOYSA-N 333.416 4.886 0 50 EJAA Cc1ccc(C)c([C@H](C)NC(=S)NCc2ccc(Cl)cc2)c1 17068488 OQLPHKPQDZWNCX-AWEZNQCLSA-N 332.900 4.682 0 50 EJAA CC(=O)c1ccc(NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 17071567 VTABKCFVBUQSDX-UHFFFAOYSA-N 342.464 4.701 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Nc1ccccc1OC(F)F 17071610 KJUAPZRQYCYKEF-UHFFFAOYSA-N 342.729 4.594 0 50 EJAA Cc1noc(C)c1Cc1nnc([C@H](C)Oc2ccc3ccccc3c2)o1 952988874 FGLKGMSLXHBEPE-AWEZNQCLSA-N 349.390 4.558 0 50 EJAA Fc1ccc([C@@H]2CCCCN2c2nc3ccc(F)cc3o2)c(F)c1 1458253980 RQMZNLVXLFGIOO-INIZCTEOSA-N 332.325 4.977 0 50 EJAA Cc1ccc(C(=O)C[C@@H](SCc2ccc(Cl)cc2)C(=O)O)cc1 44317 LLBPSKRWWMYWGF-QGZVFWFLSA-N 348.851 4.608 0 50 EJAA COC(=O)c1c(C)oc2ccc(OCc3ccc(F)cc3Cl)cc12 79403 NSLKFHBOARUMHW-UHFFFAOYSA-N 348.757 4.899 0 50 EJAA biogenic COc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 299272 PGQQJSYHWHVWSX-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA CCc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1 309236 ONRZOWKVGPEJQS-UHFFFAOYSA-N 343.386 4.705 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 318508 RPHFOMPBPMGQLS-UHFFFAOYSA-N 346.308 4.921 0 50 EJAA Cc1ccc(C)c(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 459370 XSIKCJYFMCSZPC-UHFFFAOYSA-N 328.795 4.951 0 50 EJAA C[C@@H](NC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2)c1ccncc1 2749589 OJKKOMHCXGITHT-UKRRQHHQSA-N 342.508 4.785 0 50 EJAA Cc1ccccc1-n1cnc2cc(NC(=O)c3cccs3)ccc21 4758032 SDGYMXHMCMEASN-UHFFFAOYSA-N 333.416 4.648 0 50 EJAA Cc1cc(C)n(C(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)n1 6860941 ANHABSWDIQKYHB-UHFFFAOYSA-N 341.414 4.712 0 50 EJAA Oc1ccc(-c2n[nH]cc2Oc2ccc(-c3ccccc3)cc2)c(O)c1 7943197 MYZMXCNHMAUYHZ-UHFFFAOYSA-N 344.370 4.947 0 50 EJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 20605190 QRNQGYOBRWBGPT-UHFFFAOYSA-N 349.356 4.844 0 50 EJAA CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 306121567 ILCTUFVQFCIIDS-ASMNSBTNSA-N 332.484 4.530 0 50 EJAA O=C(C[C@H]1CC=CCC1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 822353694 IATBKDKNBLAVAL-ZDUSSCGKSA-N 339.414 4.778 0 50 EJAA O=C(c1cncc2ccccc12)N1CC2(CC=CC2)[C@@H]1c1ccccc1 2325868627 DLOVXOFQIVMJMB-NRFANRHFSA-N 340.426 4.768 0 50 EJAA Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 258958 YBULFXDATBTWMV-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 287673 URMINAWTHPPDQD-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1Cl 317213 LWLOBEXBXTXSBD-UHFFFAOYSA-N 335.234 4.846 0 50 EJAA CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 474432 NGACEDRMYFVWLD-AWEZNQCLSA-N 346.858 4.592 0 50 EJAA Sc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1Cl 4707869 BJOJUHJXACCXTI-UHFFFAOYSA-N 328.249 4.591 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 10372118 AHCRPEWAWQKDGJ-UHFFFAOYSA-N 328.843 4.578 0 50 EJAA Cc1csc([C@@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)n1 12761079 YRCFMZAXHNAIDY-LLVKDONJSA-N 333.482 4.669 0 50 EJAA CN(C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C1CCCCCCC1 170631356 UYMUQBOQYKCYGM-SJLPKXTDSA-N 338.536 4.582 0 50 EJAA CC(C)(C)N(Cc1ccccc1)Cc1cnc(Br)s1 241126032 JJARGRHUMGJYOU-UHFFFAOYSA-N 339.302 4.706 0 50 EJAA CCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 82710 YHOXNAMTLZDCMH-UHFFFAOYSA-N 328.795 4.978 0 50 EJAA C[C@@H](Oc1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 619756 AIGSIKMOIYOLFB-MRXNPFEDSA-N 345.398 4.589 0 50 EJAA CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cc(F)ccc1F 179810852 NCKHJBNFSVHPAB-QGZVFWFLSA-N 330.378 4.803 0 50 EJAA Cc1cc2cc(NC(=O)N3CCCC[C@H]3c3ccccn3)ccc2o1 299776845 DNGBZLUQCBJUJE-SFHVURJKSA-N 335.407 4.895 0 50 EJAA Cc1ccccc1[C@@H](CC(C)C)NC[C@@H](CO)Cc1ccc(F)cc1 2325842019 LVOHASNQGNURIX-SIKLNZKXSA-N 343.486 4.662 0 50 EJAA CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21 55091 AVEDXUCTNRSAQE-UHFFFAOYSA-N 341.476 4.694 0 50 EJAA COc1ccc(CNc2ccccc2SC)cc1Br 279548 QHRHLZLJRNJMGM-UHFFFAOYSA-N 338.270 4.792 0 50 EJAA COc1cc2ccccc2cc1C(=O)Nc1ccccc1OC(F)F 557738 XZLOHOVZYORSJY-UHFFFAOYSA-N 343.329 4.702 0 50 EJAA O=C(NCc1cccnc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 4620922 GBYSKDLNUGOFNK-UHFFFAOYSA-N 347.201 4.578 0 50 EJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c(F)cccc1F 13325841 OYGVIYRKMYNXNV-UHFFFAOYSA-N 335.659 4.889 0 50 EJAA O=C(C1CCCCC1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 14965768 UVZAASZFGAHONG-UHFFFAOYSA-N 341.495 4.937 0 50 EJAA Cc1cc(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)ccn1 23582095 DDRZLPMQGXYLEX-UHFFFAOYSA-N 344.418 4.574 0 50 EJAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 101899251 VTQKRHRXTIMFKW-CDHQVMDDSA-N 349.430 4.713 0 50 EJAA O=C(O)C1CCC(N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 263435849 UPGSGDVACISVAY-PPUFBPAQSA-N 342.266 4.678 0 50 EJAA O=C(c1ccc2cnccc2c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 451684749 VZZKUOIQWYWRMP-BDTNDASRSA-N 342.442 4.643 0 50 EJAA C[C@@H]1C[C@@H]1c1ccc(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)o1 1875305244 NQBVAOFPTQVYFJ-AHCXZYCDSA-N 339.435 4.523 0 50 EJAA Cc1cc(NC(=O)[C@@H](C)c2cccc(C(F)(F)F)c2)cc2n[nH]cc12 1875321602 OCXAWUGKXANOFF-NSHDSACASA-N 347.340 4.632 0 50 EJAA COc1cccc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)n1 1875328885 PZQAUMLJCLMKLB-OAHLLOKOSA-N 344.418 4.578 0 50 EJAA O=C(C1CCC2(CCC2)CC1)N1CCC(Cc2ccc(F)cc2)CC1 1875334562 UZRMJVSGSLXONW-UHFFFAOYSA-N 343.486 4.967 0 50 EJAA C[C@H]1CC(C)(C)N(c2ccccc2)N1C(=S)Nc1ccccc1 286506 FCKYAMQWYNGAHV-HNNXBMFYSA-N 325.481 4.678 0 50 EJAA Cc1cc(OCCCC(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl 1787139 BVISZUCXZDGHRZ-INIZCTEOSA-N 345.870 4.993 0 50 EJAA Cc1ccc(C(=O)c2c[nH]cc2-c2ccc(Br)cc2)cc1 3105283 AQIRHCPPLDLKEJ-UHFFFAOYSA-N 340.220 4.984 0 50 EJAA CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)cc1 7559111 MICJZVNMCIDTGP-GOSISDBHSA-N 328.481 4.831 0 50 EJAA COc1cccc(CNC(=O)c2oc3c(Cl)cc(C)cc3c2C)c1 12091845 MGSVMAOCBBNVAD-UHFFFAOYSA-N 343.810 4.642 0 50 EJAA Cc1nn(Cc2ccccc2)c(C)c1CNCc1coc2ccccc12 114508972 QTYLFOSYSUILJF-UHFFFAOYSA-N 345.446 4.584 0 50 EJAA CC[C@H](C)N(C[C@@H](O)c1cccn1Cc1ccccc1F)[C@H](C)CC 201035647 FXQMNNHPOYWWKI-LLGFUMIMSA-N 346.490 4.608 0 50 EJAA CC[C@]1(C)CC(=O)c2cc3c(-c4ccccc4)cc(=O)oc3c(C)c2O1 822672701 NLYYJTAQQOMBEN-JOCHJYFZSA-N 348.398 4.902 0 50 EJAA Cc1noc(C)c1Cc1nnc([C@@H](C)Oc2ccc3ccccc3c2)o1 952988875 FGLKGMSLXHBEPE-CQSZACIVSA-N 349.390 4.558 0 50 EJAA Oc1ccc(CCC2CCN(Cc3cccc(O)c3Cl)CC2)cc1 1308646501 ILRJXDILKMHJEC-UHFFFAOYSA-N 345.870 4.596 0 50 EJAA CC[C@@]1(C)CCCN(C(=O)c2ccc(Oc3ccc(C)cc3)cn2)C1 1465405695 HJZFESLXLVAMJW-NRFANRHFSA-N 338.451 4.835 0 50 EJAA COC1CC2(C1)C[C@@H]2N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 1875328833 NZVYASAMUCJOBT-UMQBVGHOSA-N 341.417 4.950 0 50 EJAA CCCOc1cccc(-c2cn(-c3cccc4c3CCCC4)nn2)c1 2325839813 FYJGROVFSPZYKL-UHFFFAOYSA-N 333.435 4.602 0 50 EJAA Cc1cc2c(=O)n(Cc3cccc(Oc4ccccc4)c3)cnc2s1 151055 CEJFEGPQOXNTOV-UHFFFAOYSA-N 348.427 4.607 0 50 EJAA Cc1cccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 372097 DUIWCFAFCACSDV-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA C[C@@]1(c2ccc(OCc3ccccc3)cc2)Cc2ccccc2C(=O)O1 399001 NDXJACHBJAJGKA-QHCPKHFHSA-N 344.410 4.894 0 50 EJAA O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(Cl)c1Cl 454581 JEKBTUFJEADWLJ-UHFFFAOYSA-N 342.181 4.947 0 50 EJAA Cc1cc(Br)cc(C)c1OC(=O)c1ccccc1Cl 556137 UYKVNHLZFXGYJW-UHFFFAOYSA-N 339.616 4.939 0 50 EJAA Clc1nc(-c2ccccc2)cc(-c2cnc(Cl)nc2Cl)n1 3179319 DQZUCPZMJBKOIU-UHFFFAOYSA-N 337.597 4.561 0 50 EJAA CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 36621180 QTGQRSMFXKIIFH-QGZVFWFLSA-N 328.387 4.593 0 50 EJAA CCc1sc(C(=O)O)cc1-c1cccc([C@H](C)N2CCCC2)c1 67587664 QPXAAPVJNHEEHP-ZDUSSCGKSA-N 329.465 4.833 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]34)O1 245482344 LVXICQLAEIUOJT-VIMSQHNMSA-N 344.520 4.708 0 50 EJAA CC(C(=O)N[C@H]1CC12CCCCC2)(c1ccccc1)c1ccccc1 1875335909 LDERXTXTZILYJW-FQEVSTJZSA-N 333.475 4.832 0 50 EJAA O=C1c2cc3ccccc3cc2C(=O)N1c1cc(Cl)ccc1Cl 220976 XQGUMZDCDNTNAE-UHFFFAOYSA-N 342.181 4.947 0 50 EJAA COC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C)c1C 433922 LDGMYPPVBIPDQU-UHFFFAOYSA-N 339.416 4.557 0 50 EJAA Cc1cc(=O)oc2cc(OCc3ccc(F)cc3F)c(Cl)cc12 616308 OLQCLCYGWLUNPE-UHFFFAOYSA-N 336.721 4.612 0 50 EJAA O=c1oc2cc(OCc3ccccc3F)c(Cl)cc2c2c1CCC2 4077376 GFYFLMVUOBKPAW-UHFFFAOYSA-N 344.769 4.653 0 50 EJAA ON1C(c2ccc(Cl)cc2)=NNc2cc(Cl)c(Cl)cc21 6883109 FLOYMKNVVGEXBU-UHFFFAOYSA-N 328.586 4.630 0 50 EJAA Cc1ccccc1CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 11789652 PUKCGJVMOMZJEB-UHFFFAOYSA-N 349.453 4.904 0 50 EJAA Cc1noc2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c12 20605093 XLCLILGVJKMMMY-UHFFFAOYSA-N 344.239 4.818 0 50 EJAA COc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 36621222 TXUXCPKIMLDBAY-QGZVFWFLSA-N 330.815 4.718 0 50 EJAA O=C(Nc1ccc(Br)cc1Cl)OCc1ccccc1 57353724 OBPQJTHMZBDDNQ-UHFFFAOYSA-N 340.604 4.851 0 50 EJAA CC1(C)C(C(=O)c2cn(CCC[C@H](O)CF)c3ccccc23)C1(C)C 95705049 MDPXVRYUGDTVIS-AWEZNQCLSA-N 345.458 4.617 0 50 EJAA in-vitro CCN(C(=O)c1cc2c(ccc3ccccc32)[nH]1)c1nc(C)cs1 170647759 UQXUEVJMOQGFJZ-UHFFFAOYSA-N 335.432 4.753 0 50 EJAA Cc1ccc(-c2nn3c(CSC(C)(C)C)nnc3s2)cc1C 1772491187 XKCSPJKXVRUCSC-UHFFFAOYSA-N 332.498 4.501 0 50 EJAA CC(C)CCCOCc1cccc(NC(=O)/C=C/c2cncs2)c1 2325748882 JKOYRYZCGAMTDN-CMDGGOBGSA-N 344.480 4.748 0 50 EJAA O=C(NCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 397272 NQGXLZYTOBQPJB-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA CC(C)c1ccc(OCc2ccc(C(=O)NCc3ccco3)cc2)cc1 468314 OMIZXRBWOCVEHD-UHFFFAOYSA-N 349.430 4.912 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 2829753 DJULAMHDDMTMSV-UHFFFAOYSA-N 338.451 4.718 0 50 EJAA CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 2887333 XLEKIIANFRURJA-UHFFFAOYSA-N 340.250 4.691 0 50 EJAA CC(C)c1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 10451622 RZVAZGPJKHOALX-FQEVSTJZSA-N 339.435 4.620 0 50 EJAA COc1ccc(OC)c2c(C)cc(NC[C@H](C)c3ccccc3)nc12 23634199 NZJWGUAMGGTFIB-HNNXBMFYSA-N 336.435 4.776 0 50 EJAA C[C@H](Sc1nnc(-c2ccccn2)n1C)c1ccc(F)c(Cl)c1 124723739 UTPBZIWZMMTFSH-JTQLQIEISA-N 348.834 4.523 0 50 EJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1F)N2 169702401 YEKIJPBPCQBBIK-QKQOXNHBSA-N 337.394 4.820 0 50 EJAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1c1ccncc1 245906072 CHRLZMTXPILWBO-SQNIBIBYSA-N 340.492 4.699 0 50 EJAA CC[C@H]1CCCC[C@H]1CNCc1c(C(C)C)nc2sc(C)nn12 1474163906 FRUPOQFPIWLRHZ-GJZGRUSLSA-N 334.533 4.529 0 50 EJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1cc(C)ccc1C 1776004259 NUYIFGZLVCPEME-UHFFFAOYSA-N 348.464 4.512 0 50 EJAA Cc1cc(Oc2ccccc2)nc(Nc2ccc([C@H]3CCOC3)cc2)n1 1875329967 MOQVJKWAEDLUDK-KRWDZBQOSA-N 347.418 4.825 0 50 EJAA c1ccc(-c2csc3ncnc(-n4cnc5ccccc54)c23)cc1 87801 DCPZLSOQZXTVSZ-UHFFFAOYSA-N 328.400 4.697 0 50 EJAA O=C1N[C@H](c2cccc3ccccc23)Nc2sc3c(c21)CCCC3 178353 VCYSCDPUQVOGDD-SFHVURJKSA-N 334.444 4.634 0 50 EJAA CCCCc1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 1778184 ABXUEOISTIUXSL-UHFFFAOYSA-N 341.451 4.836 0 50 EJAA COc1cccc(OCCCCOc2cccc(C(F)(F)F)c2)c1 2983593 AMBLWQZGELGHQP-UHFFFAOYSA-N 340.341 4.952 0 50 EJAA O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccc(F)cc1 4824973 DRGPXTMDFBWKEG-UHFFFAOYSA-N 341.363 4.505 0 50 EJAA CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@H](C)C1 12656749 XIHJFMFAIYGPCL-PSWRPDDJSA-N 347.543 4.933 0 50 EJAA biogenic CCCCc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 17071742 ZLVTYLZCAZPYMU-UHFFFAOYSA-N 343.515 4.511 0 50 EJAA CCCC[C@@H](CC)CN1CN(C[C@H](CC)CCCC)CC(C)(N)C1 19324118 DTOUUUZOYKYHEP-WOJBJXKFSA-N 339.612 4.712 0 50 EJAA biogenic,world CC1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCCCC1 109551530 SQBPNIQUBCKAPL-UHFFFAOYSA-N 336.435 4.848 0 50 EJAA C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1C[C@H]2CCC[C@H]21 241277683 LIFQUFSHGXTAMR-GPCCPHFNSA-N 338.238 4.589 0 50 EJAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[C@@H](c2ccco2)C1 252668258 FBAOEFHWAHGXKN-VMUDFCTBSA-N 345.389 4.661 0 50 EJAA CCC(CC)n1ncc(C)c1NC(=O)N(C)[C@H](CC)c1cccnc1 299765265 DJKLTEHCQBBBHM-QGZVFWFLSA-N 343.475 4.563 0 50 EJAA c1ccc2c(c1)[C@H](NCc1ccc(-c3cnco3)cc1)CCC21CC1 1875338666 GWGHKZDVFZVLKE-HXUWFJFHSA-N 330.431 4.998 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccc(F)c1 176008 PMHWTQIWUFDJMJ-UHFFFAOYSA-N 348.333 4.592 0 50 EJAA Cc1ccc(-c2nc(-c3cc4ccc(O)cc4oc3=O)cs2)c(C)c1 211068 CDLIPLWAKDIFCB-UHFFFAOYSA-N 349.411 4.906 0 50 EJAA COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 398098 SLJCHUBTZQWVEY-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA Cc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)cs1 4247952 BKRHMUPHCFEMKT-ZDUSSCGKSA-N 338.432 4.525 0 50 EJAA S=c1[nH]nc(-c2ccc(Br)cc2)n1C1CCCCC1 17971898 UYOIYFDTAGFHFP-UHFFFAOYSA-N 338.274 4.875 0 50 EJAA Cc1nc([C@@H](C)n2cnc(-c3ccccc3)c2-c2ccncc2)cs1 65383336 AQZLFIIQYFNRFD-CQSZACIVSA-N 346.459 4.986 0 50 EJAA Oc1ccc2cc(Br)c(OCc3ccccc3)cc2c1 146727449 YHRCPQNCRQLBGB-UHFFFAOYSA-N 329.193 4.887 0 50 EJAA Cc1cc2c(cn1)CN(C(=O)c1ccccc1-c1ccccc1C)C2 1857675521 BSXMZPGMPGRROH-UHFFFAOYSA-N 328.415 4.521 0 50 EJAA COc1ccc(-c2nc(CCC(F)(F)F)nn2C2CCCC2)cc1 1875323010 RQRXFVBELUVJAA-UHFFFAOYSA-N 339.361 4.564 0 50 EJAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 27293 YGELMAGAUGHTDT-YJBOKZPZSA-N 332.403 4.872 0 50 EJAA COc1ccc2c(c1)N(C(C)=O)C(C)(C)c1ssc(=S)c1-2 169572 UEAZFFXAZPUZAG-UHFFFAOYSA-N 337.491 4.816 0 50 EJAA Cc1cccc(NC(=O)c2cc(Br)c(C)c(C)c2C)c1 310900 RFTOFZCLPNMRBL-UHFFFAOYSA-N 332.241 4.935 0 50 EJAA O=C(Nc1cccc(Br)c1)Nc1ccc(F)c(Cl)c1 397721 UIXTXPFVTGCUJW-UHFFFAOYSA-N 343.583 4.886 0 50 EJAA O=c1oc2cc(OCc3ccc(Cl)cc3)ccc2c2c1CCCC2 2592573 DKWSXVLMXRUVGI-UHFFFAOYSA-N 340.806 4.904 0 50 EJAA biogenic CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc(C(C)(C)C)cc1 2942414 RJZFSIBXXSISDE-KRWDZBQOSA-N 335.532 4.528 0 50 EJAA O=C(c1ccccc1)c1c[nH]cc1-c1ccc(Br)cc1 3105269 CYVBQOLDVRMPEM-UHFFFAOYSA-N 326.193 4.675 0 50 EJAA CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)cc1 7559108 MICJZVNMCIDTGP-SFHVURJKSA-N 328.481 4.831 0 50 EJAA O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)C1CCCCC1 15839930 DRTUBIBEMFAMCJ-SFHVURJKSA-N 328.843 4.521 0 50 EJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25586551 NUTTVNZGHVOMQV-GMJSYXRRSA-N 340.426 4.622 0 50 EJAA C[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)c2ccccc2S1 176136170 NVAOKDUFYUJRNW-NSHDSACASA-N 342.445 4.544 0 50 EJAA Cc1ccc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 675031564 SWOPNTFGYNCXPD-UHFFFAOYSA-N 335.378 4.965 0 50 EJAA C[C@@H](Sc1ncnc2[nH]cnc12)c1ccc(Cl)cc1Cl 1875259267 YRHVOIREBKIBQL-SSDOTTSWSA-N 325.224 4.513 0 50 EJAA CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)c1coc3cc(F)cc(F)c13)C2 1875343467 KENIDRXDXANTDF-WYRIXSBYSA-N 333.378 4.609 0 50 EJAA CN(C(=S)NCc1ccccc1)C1CCC2(CCCCC2)CC1 198634 FBYNGWKLIKMSJJ-UHFFFAOYSA-N 330.541 4.886 0 50 EJAA CC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 395204 DJZLMVCZIKBJOQ-UHFFFAOYSA-N 338.194 4.596 0 50 EJAA COc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)c(Cl)c1 402023 WIXRMGNJMGNONH-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA CN(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 458729 QLISHXSSZNUPKS-LEWJYISDSA-N 349.474 4.869 0 50 EJAA CC(=O)Oc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1 613500 JYPOQHBZSGVGCZ-UHFFFAOYSA-N 345.811 4.527 0 50 EJAA CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 849054 FBAUQNMZMJRFHZ-UHFFFAOYSA-N 348.402 4.908 0 50 EJAA O=C(C[C@H]1Sc2ccccc2N=C1O)Nc1cccc2ccccc12 1248511 LIPBXJACEOFBKP-GOSISDBHSA-N 348.427 4.931 0 50 EJAA CCn1c(CSCc2c(Cl)cccc2Cl)n[nH]c1=S 15924010 MZLUKFIIDUVGRL-UHFFFAOYSA-N 334.297 4.701 0 50 EJAA Cc1ccc(NC(=O)CC[C@H](C)CC(=O)Nc2ccc(C)cc2)cc1 25539742 VLXNSUNHZWFUJP-KRWDZBQOSA-N 338.451 4.687 0 50 EJAA CSCc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)o1 77406113 YALBLTUGTKFAJJ-MRXNPFEDSA-N 333.428 4.649 0 50 EJAA Cc1nnc(-c2cccc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2)o1 129533935 NBIQNOUVORDOKF-JSGCOSHPSA-N 325.334 4.578 0 50 EJAA Cc1ccc(Sc2ccc(NC(=O)C3=CCOCC3)cc2)c(C)c1 184458323 PTZINNQYJXJXLM-UHFFFAOYSA-N 339.460 4.740 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1C 331496398 HAQZWQLSEYLAJY-RDTXWAMCSA-N 326.444 4.532 0 50 EJAA CC(C)c1nc(CNC[C@@H](c2ccccc2)N2CCCCCC2)co1 952869671 YDJPBJLITNRGKZ-FQEVSTJZSA-N 341.499 4.505 0 50 EJAA Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 242488 CNVCCFAYQTVEHY-UHFFFAOYSA-N 329.465 4.844 0 50 EJAA O=C(OCc1ccccc1)Sc1nnc(-c2ccccc2Cl)o1 267296 FPYQQFUVAWBHAB-UHFFFAOYSA-N 346.795 4.819 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1F 475181 PTHNCVSAJLDKDY-VIFPVBQESA-N 328.170 4.539 0 50 EJAA CCCCOc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1 1833772 ZYYXUDVGNPFVAZ-UHFFFAOYSA-N 335.403 4.867 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 4175401 FDCINQSOYQUNKB-OQMPNEJESA-N 332.484 4.530 0 50 EJAA biogenic C[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 6701625 AEGVGQYNOULHPX-CQSZACIVSA-N 349.434 4.525 0 50 EJAA C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccsc1 669864735 DBJOXGFXNYVCNI-WDEREUQCSA-N 325.886 4.760 0 50 EJAA CCOc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1 452151 UJYWZXXFPKUKST-UHFFFAOYSA-N 348.240 4.717 0 50 EJAA c1ccc(CNc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384831 XYKMTQZEZBJMNV-UHFFFAOYSA-N 325.415 4.833 0 50 EJAA CCCCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 1787824 QNWCZZMGRUXINR-VGOFMYFVSA-N 325.408 4.526 0 50 EJAA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1F 2765906 UFPLEYGLDOYPGB-AWEZNQCLSA-N 329.415 4.838 0 50 EJAA Cc1cc(-c2nnc(SCc3cccc(Cl)c3)n2C)cs1 13997598 QFCQYFSLRTXZAT-UHFFFAOYSA-N 335.885 4.798 0 50 EJAA CC[C@]12CCC3=C(CCc4cc(OC)ccc43)C1=CCC21OCCO1 71770699 NXEGVMCSFNENEF-NRFANRHFSA-N 338.447 4.658 0 50 EJAA Cc1ncc(-c2c(-c3ccccc3)ncn2[C@H]2C[C@@H]2c2ccccc2)[nH]1 209822057 KCBYDAKYPUWGRS-QUCCMNQESA-N 340.430 4.977 0 50 EJAA CC(C)CCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@@H](C)[C@H]1C 239203321 SDCUDEZNTYGSGW-XNFNUYLZSA-N 328.500 4.601 0 50 EJAA O=C(N[C@@H](Cc1ccccc1)c1ncco1)c1ccc(C2CCC2)cc1 655390002 VXJOCWMNMFLEJI-FQEVSTJZSA-N 346.430 4.656 0 50 EJAA FC(F)(F)CC1CCN(c2nc(C3CC3)nc3ccccc23)CC1 1875325735 AYXZYXFZAKWSSK-UHFFFAOYSA-N 335.373 4.676 0 50 EJAA Cc1ccc(C2=NO[C@@H](CN[C@H]3CC(C)(C)c4ccccc43)C2)cc1C 1875328667 GDPATZJNLYGCLB-GCJKJVERSA-N 348.490 4.809 0 50 EJAA CSc1nc2ccccc2n1Cc1ccccc1Br 312375 ZXYNXURWFJHQAE-UHFFFAOYSA-N 333.254 4.569 0 50 EJAA CCOC(=O)Nc1cccc(NC(=O)c2cccc3ccccc23)c1 471301 GVWRKAAEZHEUST-UHFFFAOYSA-N 334.375 4.661 0 50 EJAA C[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 1018264 OZGTYXWMBRCWSH-GOSISDBHSA-N 329.443 4.870 0 50 EJAA CCc1cccc(CC)c1NC(=O)CCCOc1cccc(C)c1 1777370 NDNPVOPFCRXMEA-UHFFFAOYSA-N 325.452 4.918 0 50 EJAA C[C@@]1(c2ccc(Br)cc2)NN=C(Cc2ccccc2)S1 5017467 YZTQTWIHYRNOIC-MRXNPFEDSA-N 347.281 4.514 0 50 EJAA FC1(F)CCCN(c2cc(Br)ccc2C(F)(F)F)C1 169725681 WCHDWWVJUXUSEL-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA Cc1ccc(Cn2c[n+](Cc3ccccc3C)c3ccccc32)cc1 252509019 YBFFUENMXOPNFX-UHFFFAOYSA-N 327.451 4.642 0 50 EJAA CCc1nc([C@H](C)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)oc1-c1ccccc1 252538736 NGCVTPQROISFPX-WLWJZTKJSA-N 340.467 4.512 0 50 EJAA CC1(C)C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 257358832 WSGNVOUHNLZNHQ-FUAZQTBISA-N 330.512 4.905 0 50 EJAA Cc1cc(-c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc(C)c1O 436731418 OSEHKWOJUNJWCM-VIFPVBQESA-N 340.448 4.511 0 50 EJAA CC(=O)c1cccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1 481143336 RKXDBWMVFQGCNB-UHFFFAOYSA-N 346.386 4.637 0 50 EJAA O=Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)c3nsnc23)cc1 1857792220 JDMIEZMXBAUTSW-UHFFFAOYSA-N 344.395 4.650 0 50 EJAA CN(Cc1cccc(O)c1)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 1875343754 TUKZGZWALPFWJV-UHFFFAOYSA-N 341.495 4.737 0 50 EJAA O=P(CNc1ccccc1)(CNc1ccccc1)c1ccccc1 289473 PMOZYGOTTCICAW-UHFFFAOYSA-N 336.375 4.814 0 50 EJAA CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 303266 VOLWNORXKMJJRP-FMIVXFBMSA-N 342.826 4.731 0 50 EJAA O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 357416 SASBIODCPZYFNI-UHFFFAOYSA-N 335.790 4.823 0 50 EJAA Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C)cc2)cc1 1665660 UZAWHSOBTFJVNG-UHFFFAOYSA-N 326.528 4.699 0 50 EJAA CCCCOc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 2506190 OZFKHADORJJQPC-UHFFFAOYSA-N 343.814 4.648 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 2963486 BMVJDTNPPMDMFC-UHFFFAOYSA-N 346.814 4.941 0 50 EJAA CCCC[C@H](CC)C(=O)O[C@@H](C)C(=O)N(CCCC)CCCC 4428341 KMCZEAHLLDORIG-IRXDYDNUSA-N 327.509 4.563 0 50 EJAA CC[C@H]1CN(C(=O)NCc2ccc(C)cc2)c2cc(Cl)ccc2O1 6843069 OBCBSCHWFPPOTP-INIZCTEOSA-N 344.842 4.536 0 50 EJAA Cc1ccccc1[C@H](CC(=O)N(C)Cc1ccccn1)c1ccccc1 12435963 GOIPSXABVUELAE-JOCHJYFZSA-N 344.458 4.571 0 50 EJAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCc1ccsc1 72419263 WXYOMGWFTIODTK-UHFFFAOYSA-N 348.518 4.524 0 50 EJAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1c1ccccc1Cl 154684584 LSOIAJVYMRDMTJ-SJCJKPOMSA-N 345.874 4.537 0 50 EJAA C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)nc2)C1 796611408 DXVZOBAPPSAHCF-CZUORRHYSA-N 329.831 4.740 0 50 EJAA CCN(Cc1ccccc1Oc1cccnc1)[C@H]1CCOC(C)(C)C1 810043408 UVPVTEPUOHVEGN-SFHVURJKSA-N 340.467 4.653 0 50 EJAA C[C@@H](CC(c1ccccc1)c1ccccc1)NCc1cccc(CO)c1 828827558 BPLPEXBQHSMMIH-IBGZPJMESA-N 345.486 4.879 0 50 EJAA Cc1cc(C)nc(CN(C)Cc2ccc3cc(Cl)ccc3n2)c1 952972965 MOMVGLBSVQKPHF-UHFFFAOYSA-N 325.843 4.532 0 50 EJAA N=c1[nH]c(-c2ccccc2)c(NC(=O)c2cccc3ccccc23)s1 2050024922 IFQLXLDLSMPCRR-UHFFFAOYSA-N 345.427 4.628 0 50 EJAA CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1 81030 LUKUBICLEWSDST-UHFFFAOYSA-N 349.434 4.530 0 50 EJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3ncccc23)c1 360614 WNBBZFMKTPLRFB-UHFFFAOYSA-N 334.419 4.684 0 50 EJAA Cc1cc(NC2CCCC2)n2ncc(-c3ccccc3Cl)c2n1 7636195 SQYXWRXSMKNSLE-UHFFFAOYSA-N 326.831 4.713 0 50 EJAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(Cc2ccoc2)C1 12439395 MHTKVKXIRZZGTA-IBGZPJMESA-N 345.442 4.626 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)c(Cl)c1 13325258 ICJNBMXOOLFDTF-UHFFFAOYSA-N 343.858 4.888 0 50 EJAA COc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c(C)c1C 253420108 LYBLSVDSRNHLDD-JKSUJKDBSA-N 345.389 4.641 0 50 EJAA C1=CC[C@@H](CN2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 820403439 PAFHJBJGROHXQW-UXHICEINSA-N 335.495 4.536 0 50 EJAA Cc1cc(NCc2ccnn2[C@H]2CC2(F)F)c(Cl)cc1C1CC1 1875405641 KXKILAIRVHRLAH-INIZCTEOSA-N 337.801 4.915 0 50 EJAA CC(C)Cc1cc(C(=O)O)ccc1NC(=O)CC[C@H]1C[C@H]2CC[C@H]1C2 2325817560 AWHQDQUNPRHJPR-JYJNAYRXSA-N 343.467 4.738 0 50 EJAA Cc1ccccc1[C@H](CC(C)C)NC[C@@H](CO)Cc1ccc(F)cc1 2325842020 LVOHASNQGNURIX-UGKGYDQZSA-N 343.486 4.662 0 50 EJAA Cc1ccc(-n2ccn(Cc3ccc(C4CCCC4)cc3)c2=O)cc1 2325864482 PXPTWTBMIBRIHQ-UHFFFAOYSA-N 332.447 4.653 0 50 EJAA COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2C)n1 498600 JTKPFUKFJXQTAE-UHFFFAOYSA-N 343.386 4.783 0 50 EJAA CCCOc1ccc(/C=C/C(=O)Nc2ccccc2OCC)cc1 1777929 MVMTXUKWFHAQHF-SDNWHVSQSA-N 325.408 4.526 0 50 EJAA Cc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)cc1 3756569 RQOZWFWATJZIBR-UHFFFAOYSA-N 331.293 4.927 0 50 EJAA Cc1cc(C)cc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 3893662 KOSSOAAZVLVWJS-LJQANCHMSA-N 344.458 4.884 0 50 EJAA C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 6251003 UWBICEKKOYXZRG-IQHZCEOMSA-N 342.479 4.594 0 50 EJAA COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2ccoc2)oc1C 12385986 RUKWJBOGWZUHSC-SFHVURJKSA-N 338.407 4.589 0 50 EJAA C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 20550551 WOTYDSCFBINMPG-XSXQVXRUSA-N 338.495 4.902 0 50 EJAA FC(F)(F)c1cccc(O[C@@H](CN2CCCC2)c2ccccc2)c1 96027764 QXBFSKMCWGOYSU-SFHVURJKSA-N 335.369 4.921 0 50 EJAA CO[C@H](C)c1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1 225535915 SCBKZVUCESXWNZ-GFCCVEGCSA-N 343.814 4.710 0 50 EJAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2c2nccs2)o1 257365070 DWVHNQYVENTWOU-KBMXLJTQSA-N 344.480 4.546 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(Cl)cc1F 822823332 CBCZIDRWEFEHJY-QGZVFWFLSA-N 334.822 4.878 0 50 EJAA Cn1c(Sc2ccc(Br)cc2)c(C=O)c2ccccc21 168702 OHGFJXKOJJLXLI-UHFFFAOYSA-N 346.249 4.905 0 50 EJAA CC1=CC(=C(c2ccc(N)c(C)c2)c2ccc(N)c(C)c2)C=CC1=N 3861637 MUFPRITXEIBEMS-UHFFFAOYSA-N 329.447 4.806 0 50 EJAA biogenic,investigational CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4903257 XTIBUUCCWIKJEO-ZZVMVAFTSA-N 341.495 4.565 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 33270605 NNTZELNVDSZFEO-HNNXBMFYSA-N 347.846 4.876 0 50 EJAA Cc1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc2ccccc12 82115162 SZRQXHKOQQELDF-GOSISDBHSA-N 346.478 4.534 0 50 EJAA CC(C)[C@@H](NC1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1 263443945 XHPKRLDFTODBJB-VDSRIPIWSA-N 343.389 4.636 0 50 EJAA Cc1cc(C)n(-c2ccc(NC(=O)c3cccc4c3CCCC4)cc2)n1 1150054366 VUHOGONTEXCXFB-UHFFFAOYSA-N 345.446 4.620 0 50 EJAA Cc1cc(NCc2ccnn2[C@@H]2CC2(F)F)c(Cl)cc1C1CC1 1875405642 KXKILAIRVHRLAH-MRXNPFEDSA-N 337.801 4.915 0 50 EJAA Oc1ccc2c(c1)CC[C@@H](NCc1cnc(C3CCCCC3)s1)C2 2325749423 MJSFBOUMKAXHCQ-QGZVFWFLSA-N 342.508 4.544 0 50 EJAA CCc1cccc2cc(CN(CCc3ccccc3)[C@H]3CCOC3)oc12 2325870375 VKYZWYCYSVYXOM-NRFANRHFSA-N 349.474 4.829 0 50 EJAA CC(C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 44385 ZPIOGPWJJRYFSQ-UHFFFAOYSA-N 337.341 4.846 0 50 EJAA c1ccc(Oc2ccc(N3COc4cc5c(cc4C3)OCO5)cc2)cc1 427647 BKMKEGYQAGTAAG-UHFFFAOYSA-N 347.370 4.564 0 50 EJAA O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1Cl 452032 MIUJJENVSWCPIT-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(F)c1 613766 QMUOHINKSIHKDW-IBGZPJMESA-N 339.797 4.999 0 50 EJAA c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 3892300 GWMCPCJSFNYUTI-UNMCSNQZSA-N 326.399 4.929 0 50 EJAA CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1 6350401 KTADYZDTOHTNMR-UHFFFAOYSA-N 348.402 4.666 0 50 EJAA C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 20550553 WOTYDSCFBINMPG-HIGJEIRPSA-N 338.495 4.902 0 50 EJAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(-c2ccccc2)cs1 263508324 MQUGAWWECAKHFH-MNEFBYGVSA-N 341.476 4.633 0 50 EJAA Cc1cc2c(cc1C)[C@H](c1ccccc1Br)CC(=O)N2 36492 ZRSOAWXIGBKGNZ-ZDUSSCGKSA-N 330.225 4.540 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 451115 PGSXFFZTHCPQED-GFCCVEGCSA-N 346.883 4.980 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1Cl 528235 ZIABNKIFVQDHMU-UHFFFAOYSA-N 326.783 4.539 0 50 EJAA CCCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 2313293 JOGFTYKHNIOHJF-UHFFFAOYSA-N 337.463 4.717 0 50 EJAA CC(C)(C)NCCCCOc1ccc(OCc2ccccc2)cc1 3001221 KQQSSFJAMSGNQP-UHFFFAOYSA-N 327.468 4.813 0 50 EJAA C/C(=C\c1ccccc1)C(=O)Nc1ccc(Br)cc1F 4615994 PDXBFCFXFKKPHU-PKNBQFBNSA-N 334.188 4.630 0 50 EJAA CN(C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1N 5328341 JJAUMTXFZLAGOI-UHFFFAOYSA-N 326.387 4.500 0 50 EJAA O=C(Nc1ccccc1)c1cccnc1-c1nc2ccccc2s1 5353649 SMOSYEZPNOQYRE-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA CCN(CC)[C@@H]1C(O)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 6783630 VBMSIUSIEAGKMP-MSOLQXFVSA-N 328.843 4.784 0 50 EJAA Cc1nc2ccc(Cl)cc2c(O)c1CN(C)Cc1ccccc1 8700891 JVDZOIGKKMCEHM-UHFFFAOYSA-N 326.827 4.534 0 50 EJAA Oc1cccc(CN2Cc3ccccc3O[C@H](c3ccccc3)C2)c1 20295057 ALBFHBJRQUZONC-QFIPXVFZSA-N 331.415 4.528 0 50 EJAA Cc1ccc(-c2c(C)nn3c(NCc4ccccc4)cc(C)nc23)cc1 23114975 KJIVTWLYHQWWEI-UHFFFAOYSA-N 342.446 4.934 0 50 EJAA FC(F)(F)c1ccc2oc(CN3CCC[C@H]3c3ccco3)nc2c1 132027239 XDQDFNVNPXROPH-ZDUSSCGKSA-N 336.313 4.777 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)COC2 244795113 QZTOOMKMNWTDPA-IBGZPJMESA-N 339.439 4.507 0 50 EJAA C[C@@H]1C[C@H](OC(=O)Nc2ccccc2)[C@@H]2C=C(Cl)C=C[C@H]2S1 252427644 AVUMPMDHVMPXFL-IPOQPSJVSA-N 335.856 4.806 0 50 EJAA O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccoc1C1CC1 252478488 ANLBIWPBSLWKKU-UHFFFAOYSA-N 342.292 4.523 0 50 EJAA Cc1cc(=O)oc2cc(OCc3ccccc3Cl)c(Cl)cc12 278235 WGXJKSBANOCESO-UHFFFAOYSA-N 335.186 4.987 0 50 EJAA O=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 3898819 SQIBVJCFMCUNGG-QFIPXVFZSA-N 326.399 4.855 0 50 EJAA O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1 7997390 JJAWGNIQEOFURP-UHFFFAOYSA-N 334.371 4.941 0 50 EJAA aggregator,in-vivo Cc1ccc([C@H](NC(=O)c2ccccc2C)c2cccnc2)cc1C 15839744 FXMTUAHDMXGWCH-NRFANRHFSA-N 330.431 4.526 0 50 EJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21 20605185 BNBCIZCCYVIWIE-UHFFFAOYSA-N 325.359 4.897 0 50 EJAA FC(F)(F)c1cccnc1-c1ccc2oc(-c3cccnc3)nc2c1 32590333 GXWRUMFITASDKD-UHFFFAOYSA-N 341.292 4.971 0 50 EJAA O[C@H](Cn1ccnc1-c1ccccc1-c1ccco1)c1ccccc1 82138406 LRKSCUUQSGKLBT-LJQANCHMSA-N 330.387 4.544 0 50 EJAA Fc1ccc(-c2ccc(CNc3nccc(-c4cccnc4)n3)o2)cc1 97213320 MBJXPLACEKCSIM-UHFFFAOYSA-N 346.365 4.550 0 50 EJAA Cc1ccc(C2(C(=O)Nc3cccc4ccccc34)CCOCC2)cc1 110155438 ZSYLYKNXBIQEAM-UHFFFAOYSA-N 345.442 4.835 0 50 EJAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cncc(F)c1 165104995 NEPBSDZPDBECPF-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CC1=Nc2ccccc2C12CCN(C(=O)Nc1cc(C)ccc1C)CC2 877870881 HPNQTMCZTNVPFK-UHFFFAOYSA-N 347.462 4.975 0 50 EJAA CC(C)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(C)(C)C)n1 1875357772 WIEJEJLODHAILK-HOTGVXAUSA-N 332.488 4.594 0 50 EJAA Cc1ccc(Nc2nc([C@]3(C)C[C@@H](C(C)C)C(=O)O3)cs2)cc1 345732 GZCFSMSWTAJCGE-KSSFIOAISA-N 330.453 4.629 0 50 EJAA CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 375339 LYYQLJQCYJNTQY-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA O=C(NCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 397420 WNNCXTWFLYJYEB-UHFFFAOYSA-N 330.431 4.599 0 50 EJAA COc1ccccc1N1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1787873 UIFHANHZZUSUBJ-GDNBJRDFSA-N 345.807 4.590 0 50 EJAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccs2)on1 3908479 PVJNKGIPEQPYJV-UHFFFAOYSA-N 338.310 4.674 0 50 EJAA O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)C1CCCCC1 6703259 YJJZBEIICQCERE-UHFFFAOYSA-N 337.379 4.515 0 50 EJAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c(C)c2c1 216203137 PVZAGNCXWDYHTK-NRFANRHFSA-N 347.462 4.711 0 50 EJAA C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1C[C@@H]2CCC[C@H]21 230169059 LIFQUFSHGXTAMR-ISTVAULSSA-N 338.238 4.589 0 50 EJAA C[C@H]1c2ccccc2O[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299752054 SOMBAGLBFCGAKL-PTKHLAPESA-N 348.402 4.552 0 50 EJAA CCc1noc(C)c1NC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 930547739 VPKHBSPVVVVLFF-MRXNPFEDSA-N 341.455 4.593 0 50 EJAA O=C(c1ccccc1)C1CCN(c2nc3ccc(F)cc3s2)CC1 1458093860 OJZBQMRWQXFYNI-UHFFFAOYSA-N 340.423 4.535 0 50 EJAA C[C@@H](CCc1nccs1)N[C@H](C)c1cn(C)c2cc(Cl)ccc12 1875388203 QNBTZKLMYMWIHK-QWHCGFSZSA-N 347.915 4.960 0 50 EJAA COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(F)cc1)N2 285451 DSAQHSCMMOOKBN-RTBURBONSA-N 343.398 4.632 0 50 EJAA Cc1cccc([C@@H](CC(=O)NC2CCCCC2)c2ccccc2)c1O 3628039 SDFNAEZSSRFFAV-FQEVSTJZSA-N 337.463 4.672 0 50 EJAA C[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 4980671 ZCYQVRRSGRUGSX-INIZCTEOSA-N 348.412 4.631 0 50 EJAA CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccccc1C(C)(C)C 5632384 REWPXUMDEXVILI-INIZCTEOSA-N 335.532 4.528 0 50 EJAA C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 13597503 GVIAXRUEUWNZTF-ONUMYQOESA-N 334.246 4.974 0 50 EJAA C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1C2 101737051 BAQRJTWSAPHMNM-OXJKWZBOSA-N 326.362 4.652 0 50 EJAA c1c(C2CCCCC2)noc1CN(CC1CCC1)C[C@@H]1CCCO1 1506429097 VIVBKRVATWYBSU-SFHVURJKSA-N 332.488 4.503 0 50 EJAA Fc1ccc(Cl)c(F)c1-c1nccn1-c1ccc2c(c1)COC2 1772807730 TXJPCXHEYFUNKC-UHFFFAOYSA-N 332.737 4.501 0 50 EJAA Oc1ccccc1-c1nc(NCCc2ccccc2)c2ccccc2n1 119387 WAOBBSDPIQFRNV-UHFFFAOYSA-N 341.414 4.657 0 50 EJAA COc1ccc(OC)c(NC(=O)Oc2ccc(Cl)c(Cl)c2)c1 398371 SDSJAJDKRPYYGH-UHFFFAOYSA-N 342.178 4.622 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1Cl 443619 LDHBXFGRUZEKAE-UHFFFAOYSA-N 346.858 4.837 0 50 EJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)cc(C)c2)c1 578994 PYSHLQKWVBDCAA-UHFFFAOYSA-N 330.815 4.558 0 50 EJAA CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 612442 GABKTDXSJZMRBA-UHFFFAOYSA-N 337.448 4.755 0 50 EJAA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)OCc1ccccc1 1141154 OBSVXCMPEQOGGI-UHFFFAOYSA-N 329.355 4.647 0 50 EJAA O=C(NCc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 1218316 KSRSMDNYJFNTHG-HXUWFJFHSA-N 333.456 4.836 0 50 EJAA c1ccc(OCCCCSc2nnc(-c3ccccc3)o2)cc1 2501831 PQXIXMNBRCKEEM-UHFFFAOYSA-N 326.421 4.688 0 50 EJAA CCCCCCOc1ccccc1NC(=O)OC[C@@H]1CCCCN1C 4566634 BETFOLQBMHYFBR-KRWDZBQOSA-N 348.487 4.679 0 50 EJAA Cc1c(-c2c(-c3ccccc3)ncn2[C@H](C)c2ccccc2)cnn1C 65398855 CFWGBIHZIJHBAF-MRXNPFEDSA-N 342.446 4.868 0 50 EJAA Cc1ccc(Oc2ccc(NC(=O)CCC3CCCCC3)cc2)nn1 72441804 GYFRIKCYBPLBCB-UHFFFAOYSA-N 339.439 4.876 0 50 EJAA CC(Cl)(Cl)c1nnc(-c2ccc(COc3ccccc3)o2)o1 1261427765 LYADPYIEWLQXFY-UHFFFAOYSA-N 339.178 4.559 0 50 EJAA Cc1noc(C)c1-c1nnc(-c2sc3ccccc3c2Cl)o1 1328291805 UHYGBJXYNALICY-UHFFFAOYSA-N 331.784 4.877 0 50 EJAA CC(C)c1cc(Cn2ccnc2-c2cccc(CC(F)(F)F)c2)no1 1857684720 AEJKUNJMVXXGLM-UHFFFAOYSA-N 349.356 4.815 0 50 EJAA Cc1cccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1 178936 PDHOVCXFUYVZEA-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 456338 GGOKXGALQIDYKD-UHFFFAOYSA-N 326.465 4.554 0 50 EJAA COc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC 496466 COFPONPKJPJFFM-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2745530 RDMKXUSFYPEIAD-UHFFFAOYSA-N 333.387 4.669 0 50 EJAA COc1ccccc1[C@H]1CN(c2ccccc2)N=C1c1cccs1 4021906 KTKQHVZUOQDOQQ-QGZVFWFLSA-N 334.444 4.765 0 50 EJAA aggregator COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1 4715961 AVNPJAYPXXRCFB-KRWDZBQOSA-N 342.826 4.628 0 50 EJAA CCc1ccc(CN(C)Cc2nc(-c3cccc(F)c3)oc2C)cc1 12702792 SKJBKJPPUFGSDA-UHFFFAOYSA-N 338.426 4.984 0 50 EJAA Cc1ccc(N2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 19758703 IHSVNRGOSXEMCB-LICLKQGHSA-N 334.400 4.717 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 36621138 FJPRJFAUMBJLKW-GOSISDBHSA-N 328.387 4.593 0 50 EJAA COc1cc(C(=O)O)ccc1-c1ccc(OCc2ccccc2)cc1 65355226 FKTBVOMMEBCLCC-UHFFFAOYSA-N 334.371 4.639 0 50 EJAA Cc1nccn1CC[C@H]1CCCCN1Cc1ccccc1-c1ccco1 215298625 KVYWKXMZZZJVJN-HXUWFJFHSA-N 349.478 4.896 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@H]2[C@@H]34)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]34)O1 245482343 LVXICQLAEIUOJT-JYYXSMFXSA-N 344.520 4.708 0 50 EJAA CN(C[C@@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 247945702 AZLVFMJMZBMGFL-FGZHOGPDSA-N 335.422 4.581 0 50 EJAA CCOC(=O)c1cnc2c(Cl)cccc2c1NCc1ccccc1 104168 CXQOLMDNDDUYHX-UHFFFAOYSA-N 340.810 4.677 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 237529 GRLOINLFWVWIIU-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1Cl 261787 NQHQOPQXNUBILW-UHFFFAOYSA-N 335.790 4.823 0 50 EJAA O=C(CCSc1ccccc1)Nc1ccc(C(F)(F)F)cc1 621261 NFKZGWPUGHWJHX-UHFFFAOYSA-N 325.355 4.826 0 50 EJAA CCOc1ccccc1OCCCOc1ccccc1OC(C)C 2986931 KVXNAEAPFAMLEM-UHFFFAOYSA-N 330.424 4.720 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)OCc3ccccc3)cc2)cc1 4056228 WAZSZXRYNUKFQD-UHFFFAOYSA-N 332.399 4.784 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 9064365 NGRSZSAIPPLKKY-UHFFFAOYSA-N 336.822 4.887 0 50 EJAA c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 11565500 GWMCPCJSFNYUTI-IFMALSPDSA-N 326.399 4.929 0 50 EJAA CCc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1 64984997 PZHLVQHPONWFGW-QGZVFWFLSA-N 327.428 4.729 0 50 EJAA Cc1cccc(-c2ccc(NC(=O)N3CCC(F)(F)CC3)cc2)c1 244883988 YDDSLSVQWVAMHN-UHFFFAOYSA-N 330.378 4.925 0 50 EJAA Cc1nc([C@@H](C)N(C)C(=O)Nc2c(C)cccc2Cl)c(C)s1 825272205 GMUCHXGXGFFGEW-SNVBAGLBSA-N 337.876 4.947 0 50 EJAA CC(C)[C@H]1CN(CC2CCC(F)(F)CC2)C[C@@H](c2ccccc2)O1 1857721448 PFSAQWOGLYKASD-MOPGFXCFSA-N 337.454 4.910 0 50 EJAA O=C(c1cc(-c2ccccc2Cl)on1)N1CCCc2ccccc21 815170 CVLHECIJOSPXBG-UHFFFAOYSA-N 338.794 4.588 0 50 EJAA O=c1c2cc(Cl)ccc2ncn1C1c2ccccc2-c2ccccc21 4566416 HZGVVEFEMIQGKR-UHFFFAOYSA-N 344.801 4.668 0 50 EJAA CC(=O)c1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1 4821216 DWQOCWXELXZXBC-UHFFFAOYSA-N 343.382 4.970 0 50 EJAA CC(C)c1cc(Br)ccc1OCCCCn1ccnc1 4841580 SKDGFGCCDKSYCD-UHFFFAOYSA-N 337.261 4.628 0 50 EJAA Cc1ccccc1C(=O)NCCc1ccc2oc3ccccc3c2c1 6668532 AQADUZYVIGYZIA-UHFFFAOYSA-N 329.399 4.867 0 50 EJAA O=C(Nc1ccccc1Cl)N1CCC[C@H](Nc2cccc(F)c2)C1 12710354 XKMZXLZKSJBFQP-HNNXBMFYSA-N 347.821 4.588 0 50 EJAA CCc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 13746035 ZBSNAAASKGKMGH-LBPRGKRZSA-N 347.256 4.894 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 17004009 XXSFRYVGIQYVIQ-HAAPBCEXSA-N 330.512 4.761 0 50 EJAA CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1 64985032 XIGIETCHIDYFCP-HNNXBMFYSA-N 333.819 4.568 0 50 EJAA FC(F)(F)c1cc(Br)cc(Cl)c1Br 66312890 LRAHWXYALPXVCG-UHFFFAOYSA-N 338.348 4.884 0 50 EJAA CC(C)C(=O)c1ccc(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)cc1 888094358 KJPNKSYPQOOKPJ-IBGZPJMESA-N 340.467 4.734 0 50 EJAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cn2)cc1 305131 NBCDMTKAWHSZNA-BJMVGYQFSA-N 345.240 4.619 0 50 EJAA O=C(CSCc1ccccc1)Nc1ccc2c3c(cccc13)CC2 306887 KUVHBALRSLABLV-UHFFFAOYSA-N 333.456 4.810 0 50 EJAA Cc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 363155 GOSOYPKHXRSSKT-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(OC(C)C)n2)cc1 439354 XKRISLZEIHDXRN-UHFFFAOYSA-N 334.419 4.915 0 50 EJAA COc1ccccc1-c1coc2cc(OCC=C(C)C)ccc2c1=O 466412 YBNDYVYYLAYUNU-UHFFFAOYSA-N 336.387 4.814 0 50 EJAA biogenic Cc1ccccc1OC(=O)c1cccc(C(=O)Oc2ccccc2C)c1 2689455 LIBNNSNDAMJTFG-UHFFFAOYSA-N 346.382 4.742 0 50 EJAA O=C(NCCCc1ccccc1)c1ccccc1CCc1ccccc1 2881469 NMUUFLXUPCSVDZ-UHFFFAOYSA-N 343.470 4.834 0 50 EJAA CC1CCN(CCOc2ccc3ccccc3c2Br)CC1 6308992 FDHNOQOWTRTLFX-UHFFFAOYSA-N 348.284 4.713 0 50 EJAA Cc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c1 11782466 TXHBCISSMRMMDF-UHFFFAOYSA-N 349.453 4.904 0 50 EJAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@H]32)cc1 15017247 MITVFTQPBNIBOQ-WBAXXEDZSA-N 343.810 4.673 0 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6388134 BIKICJVAYXOLKK-UHFFFAOYSA-N 341.505 4.552 0 50 EJAA FC(F)(F)c1ccccc1CN1CCc2c([nH]c3ccccc23)C1 19595083 NDKFQDKVPSXHNT-UHFFFAOYSA-N 330.353 4.745 0 50 EJAA O=C(c1cccc2cccnc12)N1CCCC[C@@H]1c1cccc(F)c1 77488157 HHJCVXXGLBPTDZ-LJQANCHMSA-N 334.394 4.741 0 50 EJAA CCc1cnc(CNC(=O)c2ccccc2Nc2cccc(C)c2C)o1 170598397 NRJVPYYDPUSELV-UHFFFAOYSA-N 349.434 4.527 0 50 EJAA Cn1c([C@H]2CCCN2c2ncc(Cl)cc2Cl)nc2ccccc21 1875306660 BNETVUGYOZHJFW-OAHLLOKOSA-N 347.249 4.617 0 50 EJAA COc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 303706 LSQKPTPCUVQGRR-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 443206 KDTZGHTUJVKEEB-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA CC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 450780 NXHVYTUYRAEIHT-SOFGYWHQSA-N 334.202 4.848 0 50 EJAA CCn1c(SCc2ccccc2C)nc2sc(C)c(C)c2c1=O 526870 JBNVHHBOHFCXQP-UHFFFAOYSA-N 344.505 4.695 0 50 EJAA C[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1225152 CUHVNJREZJDSBT-GOSISDBHSA-N 329.443 4.566 0 50 EJAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nc2ccccc2[nH]1 3833244 BCPPWLRDMJKZJD-JKIFEVAISA-N 346.496 4.659 0 50 EJAA Oc1cc(Br)ccc1-c1ccnn1-c1ccc(Cl)cc1 328579122 SKUQJGBVWNPWSI-UHFFFAOYSA-N 349.615 4.661 0 50 EJAA Cc1c(O)nc2ccccc2c1C(=O)N[C@H](C)c1cccc(C2CC2)c1 820884064 WMTZUSVUUNVKFH-CQSZACIVSA-N 346.430 4.617 0 50 EJAA CC(C)Cn1cncc1CNC(=O)Nc1ccccc1-c1ccccc1 821502117 IZYHRCHLAPYHLZ-UHFFFAOYSA-N 348.450 4.528 0 50 EJAA COC1(c2ccccc2)CCN(Cc2cc(F)cc(Cl)c2)CC1 1140542083 AGRLIBLJBJELMC-UHFFFAOYSA-N 333.834 4.617 0 50 EJAA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccccc2Cl)c1 133537 FFGOYFINFUOZPG-UHFFFAOYSA-N 331.843 4.963 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 176002 VYHHSOLPXFBPHC-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA Cc1cc(C)c(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 189492 IOFPIPAZSGBPEY-UHFFFAOYSA-N 338.451 4.504 0 50 EJAA COc1ccc(OCCOCCSc2ccc(Cl)cc2)cc1 2985712 LYNRPUIOEJQFGF-UHFFFAOYSA-N 338.856 4.536 0 50 EJAA O=C(NC(Cc1ccccc1)Cc1ccccc1)c1ccccc1Cl 2999804 ZULGKRKGULDIOZ-UHFFFAOYSA-N 349.861 4.924 0 50 EJAA CCOc1cccc(/C=C/c2ccc3ccccc3n2)c1OC(C)=O 5065404 FQSDQHJDIJZSAI-WYMLVPIESA-N 333.387 4.729 0 50 EJAA CC(C)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 55543246 UBQNCQKGXNBITQ-UHFFFAOYSA-N 328.887 4.786 0 50 EJAA COc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 64984532 DMHUVKXKRIOYLJ-LJQANCHMSA-N 342.414 4.984 0 50 EJAA COc1ccccc1-c1ccnc2c(-c3ccc(Cl)cc3)cnn12 71385341 QGTRGTZRYDJPQQ-UHFFFAOYSA-N 335.794 4.725 0 50 EJAA CCc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)csc1C 72410709 KTEKSLHIPZJORB-UHFFFAOYSA-N 340.448 4.546 0 50 EJAA Cc1ccc2oc(-c3nc(-c4ccc5nc[nH]c5c4)no3)c(C)c2c1 77406685 VKSJAHNSCBCXIE-UHFFFAOYSA-N 330.347 4.643 0 50 EJAA O=C(c1cccc2cccnc12)N1CCCC[C@H]1c1cccc(F)c1 77488159 HHJCVXXGLBPTDZ-IBGZPJMESA-N 334.394 4.741 0 50 EJAA O=C(Nc1ccccc1)c1ccc(Br)c2ccccc12 85476364 JYEXTBUDNDIBBS-UHFFFAOYSA-N 326.193 4.855 0 50 EJAA CCOC(=O)[C@H](NCC[C@@H](C)CC(C)(C)C)c1ccccc1Cl 96026425 ALRYVEUWOHBWSB-RHSMWYFYSA-N 339.907 4.996 0 50 EJAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC[C@H]1c1cccs1 120739755 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EJAA COC(=O)c1cccc(Nc2cc(C)nc3ccc(Cl)cc23)c1 71653 LKCAPBLJIGRYBZ-UHFFFAOYSA-N 326.783 4.727 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4cc(C)on4)cc3)sc2c1 148404 OWKZNZHMOJMFBX-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2ccccc2)CC1 294605 DECAYRMSMUUPRB-UHFFFAOYSA-N 331.456 4.553 0 50 EJAA COc1ccc(Cl)cc1Nc1ncnc2sc3c(c12)CCC3 472871 OANQKPNITARLLS-UHFFFAOYSA-N 331.828 4.586 0 50 EJAA COc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)c(OC)c1 617632 JXTWZTQQKSAVIN-UHFFFAOYSA-N 339.391 4.628 0 50 EJAA O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F 4841535 XKUKGHVXTYMIMW-UHFFFAOYSA-N 346.361 4.564 0 50 EJAA COc1cccc2c1OC(C)(C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5915129 NYSMUTYWDPMIMQ-INIZCTEOSA-N 342.826 4.628 0 50 EJAA O=C(Nc1ccccc1Br)N[C@H]1CCCc2ccccc21 13746072 YWKVPHBDWYTFED-HNNXBMFYSA-N 345.240 4.648 0 50 EJAA COc1cccc(C2=NN3[C@@H](CC(C)C)Oc4ccccc4[C@H]3C2)c1 100671282 BDTPXVPXFDPGSX-TZIWHRDSSA-N 336.435 4.611 0 50 EJAA C=Cc1ccc(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)cc1 170595804 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CC(C)COc1cccc(CN(C(=O)c2cccc(F)c2)C2CC2)c1 15072456 WWZXHGSHVFTXMR-UHFFFAOYSA-N 341.426 4.665 0 50 EJAA CCC(CC)NC1CCN(c2cccc(-c3cscn3)c2)CC1 48428287 YWGRLGGRCMODIU-UHFFFAOYSA-N 329.513 4.557 0 50 EJAA O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nccs1 229695704 HIBVFONIZXZQGG-JHJVBQTASA-N 346.418 4.565 0 50 EJAA CC(C)(CNC(=O)NCc1cccc2ccccc12)c1cccs1 303545898 IYAOJBWRHKBAOL-UHFFFAOYSA-N 338.476 4.678 0 50 EJAA CC[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)CC3CCC3)cc2)cc1 426500103 MBELZXVDWHIPFP-OAQYLSRUSA-N 337.463 4.669 0 50 EJAA CC[C@H](c1cccnc1)N(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 952869611 KCQPIRKVSVZFKI-GOSISDBHSA-N 342.870 4.766 0 50 EJAA CCCCC[C@H](NC(=O)c1noc2c1CC(C)(C)CC2)C(C)(C)C 1456338234 KKZSWPXAAQCTBG-INIZCTEOSA-N 334.504 4.914 0 50 EJAA COC(C)(C)CCC[C@H](C)CCN1CCC(c2ccnc(O)c2)CC1 1775979180 YIEHUYGKZWMNDN-KRWDZBQOSA-N 348.531 4.588 0 50 EJAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)NC2CCCCC2)c1 395831 CCIFRWSUSJNBOE-UHFFFAOYSA-N 336.435 4.680 0 50 EJAA Cc1nc(-c2ccc(Br)cc2)nc(N2CCCCC2)c1C 448835 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20605137 SKLYITVFWRKKLW-UHFFFAOYSA-N 335.304 4.764 0 50 EJAA CCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100752259 YZLBMKFWNDFUGQ-OPXVNJCFSA-N 346.474 4.733 0 50 EJAA CO[C@@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 257357682 PJHBKOQWGPXVAP-BEOIFPMASA-N 330.512 4.859 0 50 EJAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccc(C2CC2)cc1 1875305290 OUGNQGUZMJZXSC-XUTJKUGGSA-N 335.447 4.684 0 50 EJAA C[C@@H]1CCc2c(C(=O)N[C@@H]3CCCc4ccccc43)csc2C1 1460319 WJGVSNBXPNQRGK-FZKQIMNGSA-N 325.477 4.680 0 50 EJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)CC2=O 4811020 NKXQNZLZVJYFOR-SJORKVTESA-N 341.234 4.684 0 50 EJAA Cc1ccc(C)c([C@H](C)NC(=O)Nc2ccccc2Br)c1 13746039 TZHLFPZSSRYMDG-ZDUSSCGKSA-N 347.256 4.949 0 50 EJAA c1ccc(N[C@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)cc1 15065004 OKJPWGLDLRFEJK-IBGZPJMESA-N 349.503 4.887 0 50 EJAA CSc1ccc([C@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1 71767167 BZMSVJSCYVEWBD-RTWAWAEBSA-N 335.472 4.843 0 50 EJAA Cc1nc([C@@H]2CCCN2C(=O)Nc2nc(C3CCC3)cs2)cs1 239591428 BBJJWHCKYMKHLX-AWEZNQCLSA-N 348.497 4.545 0 50 EJAA NC1(c2noc(-c3sc4cc(Cl)ccc4c3Cl)n2)CCC1 261963925 PPKCWDYESKRJNL-UHFFFAOYSA-N 340.235 4.596 0 50 EJAA C[C@H]1CN(Cc2ccc3ccccc3n2)Cc2cc(Cl)ccc2O1 299768836 KQRJKVNWEUKLLD-AWEZNQCLSA-N 338.838 4.671 0 50 EJAA CC(=O)c1cn(CCOc2ccc(OC(C)C)cc2)c2ccccc12 2873045 PXEZSVXKAXGJEE-UHFFFAOYSA-N 337.419 4.710 0 50 EJAA COc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 4542191 LEDSYTACWLAWJU-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA CSc1cccc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)c1 12058614 RELFBZTXKXZGHS-UHFFFAOYSA-N 340.448 4.603 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1cc(C(C)C)on1 91656361 KHNTWFIMTYPPAG-AWEZNQCLSA-N 347.484 4.664 0 50 EJAA CN1C[C@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 229878629 TZYCOGSJLNLMCK-HOTGVXAUSA-N 334.246 4.522 0 50 EJAA C[C@@H]1C[C@@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 239667376 BPTPWNQCCVWLBB-PSGMQZRDSA-N 348.402 4.763 0 50 EJAA CCOC(=O)c1cnc(Nc2cccc(Oc3ccccc3)c2)s1 326795102 YVFLAJUYFWBCBA-UHFFFAOYSA-N 340.404 4.856 0 50 EJAA Brc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 23698 LHRDDQRDDLEHMC-UHFFFAOYSA-N 333.254 4.704 0 50 EJAA CC1=CC(C)(C)N([C@@H](O)C(Cl)(Cl)Cl)c2cc(C)ccc21 64624 GWHXOILQZFBSLE-ZDUSSCGKSA-N 334.674 4.686 0 50 EJAA O=C(Nc1ccc(Br)cc1)c1cccc2ccccc12 361883 OEHXRJVTKDROQT-UHFFFAOYSA-N 326.193 4.855 0 50 EJAA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1C 1109873 NBRBRHXXFDWHMJ-UHFFFAOYSA-N 341.835 4.514 0 50 EJAA CCCCCCOc1ccccc1NC(=O)OC[C@H]1CCCCN1C 4566635 BETFOLQBMHYFBR-QGZVFWFLSA-N 348.487 4.679 0 50 EJAA Cc1cccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)c1 15839816 PBVOATFKRWVGKI-NRFANRHFSA-N 330.431 4.526 0 50 EJAA C[C@H]1CCC[C@@H](C)N1CC(=O)OC(c1ccccc1)c1ccccc1 96027614 WGPIBJKFCPLPKD-HDICACEKSA-N 337.463 4.582 0 50 EJAA C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 101703430 XBIOQKJAUYGCAY-IDPBPBMLSA-N 333.475 4.759 0 50 EJAA COc1cc2c3c(c1)/C(=C\c1ccccc1)C(=O)N3C(C)(C)C=C2C 1848442480 YMLKUEDVVDIJFZ-VXLYETTFSA-N 331.415 4.778 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc3ccccc3c2)cc1C 1875302288 JABHDBLUGZFSQK-UHFFFAOYSA-N 326.417 4.533 0 50 EJAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1 110884 TXBIKVOIVWTLSX-UZLBHIALSA-N 343.430 4.674 0 50 EJAA O=C(c1cn(CCCOc2ccccc2)c2ccccc12)C(F)(F)F 2488077 CWZBPFIEHBWQJD-UHFFFAOYSA-N 347.336 4.855 0 50 EJAA CCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(C)cc1 2760963 XMQKHMSMIDPEOU-UHFFFAOYSA-N 343.448 4.557 0 50 EJAA CCCOc1ccc(Br)cc1CNC1CCCCC1 2883064 SPGQBAKVVBPBEM-UHFFFAOYSA-N 326.278 4.660 0 50 EJAA O=C(CSc1ccc(F)cc1)Nc1c(Cl)cccc1Cl 4414810 RQNBRUYBMDLAKB-UHFFFAOYSA-N 330.211 4.863 0 50 EJAA COc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 4541743 VJFBCQCTNROCJX-UHFFFAOYSA-N 341.414 4.918 0 50 EJAA C[C@@H](c1ccccc1C(O)(c1ccccc1)c1ccccc1)N(C)C 4833134 IFQPCBJQWBPSDY-SFHVURJKSA-N 331.459 4.593 0 50 EJAA COc1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(C)c1 4842266 UTGHUYWLKIUPFW-UHFFFAOYSA-N 347.414 4.835 0 50 EJAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(Cc2ccco2)C1 11839956 OZWZHDBOTWKQBD-SFHVURJKSA-N 345.442 4.626 0 50 EJAA CC[C@H](C)c1ccc(OCCOCCN2C[C@H](C)C[C@@H](C)C2)cc1 16247362 SWQCGVOTNGYYTN-QRVBRYPASA-N 333.516 4.573 0 50 EJAA O=c1oc2cc(OCc3ccccc3)c(Cl)cc2c2c1CCCC2 44927 DFWCRCQVNBZPBJ-UHFFFAOYSA-N 340.806 4.904 0 50 EJAA biogenic,in-vitro Cc1ccc2nc(NC(=O)c3c(-c4ccccc4)noc3C)sc2c1 81340 MKBQGLYBYVTCMS-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 133504 LVKMLZKVAOEDDH-UHFFFAOYSA-N 337.341 4.846 0 50 EJAA Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)s1 205004 CLZOZMVUPORLTR-UHFFFAOYSA-N 348.221 4.732 0 50 EJAA CC[C@H](C)c1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1 372364 YSUCHCHXVZIELC-GJZGRUSLSA-N 341.451 4.708 0 50 EJAA O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(F)cc2F)cs1 2091419 IKODKFFSCCIADJ-GQCTYLIASA-N 348.399 4.802 0 50 EJAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)C(C1CC1)C1CC1 12454910 GCWUSDGHGJWXIX-UHFFFAOYSA-N 332.394 4.549 0 50 EJAA CCc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccc2OC)cc1 13931070 DCHSVQBSGAJFAO-CQSZACIVSA-N 328.481 4.614 0 50 EJAA C[C@H](NC(=O)c1ccc[nH]c1=S)c1cc2cc(Cl)ccc2o1 136713395 WBOFOQISNPYDNX-VIFPVBQESA-N 332.812 4.635 0 50 EJAA CCc1nnc(CN[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)o1 181239279 YSVNNEQARGQWAP-UGKGYDQZSA-N 347.462 4.583 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257345597 CGMZETDGTMDEAD-DBXCXYEUSA-N 332.528 4.841 0 50 EJAA CC(C)C(=O)c1ccc(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)cc1 888094359 KJPNKSYPQOOKPJ-LJQANCHMSA-N 340.467 4.734 0 50 EJAA Cc1cccc(-c2ccc(CN3CCC[C@]4(CCC[C@H]4O)C3)cc2)c1 1704298629 KCWITZRDNDYSQZ-DHIUTWEWSA-N 335.491 4.789 0 50 EJAA O=C(NC1CCCCCCCCCCC1)[C@H]1CCCC[C@H]1C(=O)O 133415 QEEPPGIQINMYNK-ZWKOTPCHSA-N 337.504 4.667 0 50 EJAA CCCC(CCC)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 462700 UOHTWIGWFAHOQR-UHFFFAOYSA-N 328.412 4.687 0 50 EJAA Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 464080 TZLDIUQEEAGEPL-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@H]21 2008391 YCBKSSAWEUDACY-IRXDYDNUSA-N 330.468 4.708 0 50 EJAA biogenic,world FC(F)(Br)c1ccc(C(F)(F)Br)cc1 2581464 LVNDZUPLJHHVKR-UHFFFAOYSA-N 335.920 4.575 0 50 EJAA biogenic,in-vitro O=C(Nc1ccccc1Cl)[C@]1(c2ccccc2)CC1(Cl)Cl 2924616 KYQQNZSTHWBUBL-OAHLLOKOSA-N 340.637 4.794 0 50 EJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(C)cc2C)s1 5950072 INUUWLHYUIUJCM-UHFFFAOYSA-N 348.493 4.523 0 50 EJAA CC(C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 9231674 CIKNYPBWQCBCCA-UHFFFAOYSA-N 331.803 4.579 0 50 EJAA Cc1cccc([C@@H](CC(=O)NCc2ccccc2)c2ccccc2)c1O 16212243 VZXOALWLOARDOC-NRFANRHFSA-N 345.442 4.539 0 50 EJAA COc1ccc2ccccc2c1-c1nc2c(cnn2[C@@H](C)C2CC2)[nH]1 48261811 CWVIWKDFLBEDQF-LBPRGKRZSA-N 332.407 4.559 0 50 EJAA CC[C@H](c1ccccn1)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1C 96180198 KNHBPJISRQYMDR-QGZVFWFLSA-N 341.842 4.748 0 50 EJAA Cc1nc2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2o1 134870367 GIOOFYPRHZHMPQ-UHFFFAOYSA-N 338.260 4.546 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4coc(C)n4)cc3)sc2c1 1348709258 ROQYJIRVJUYYFF-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA Cc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 298344 VVTCHBFQHFMGQT-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA O=c1oc2cc(OC/C=C/c3ccccc3)ccc2c2c1CCCC2 1797616 DNAMVJBWOFCAOF-RMKNXTFCSA-N 332.399 4.764 0 50 EJAA Cc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c2ccccc12 2752211 ZLYALDGKQXZQTO-XDHOZWIPSA-N 331.346 4.632 0 50 EJAA CC(C)(C)c1ccc(-c2nnc(S)n2-c2ccc(F)cc2)cc1 2840674 ZJNWYGJYNIZJPG-UHFFFAOYSA-N 327.428 4.660 0 50 EJAA Cc1cc(Cl)cc(Cl)c1OCCCCN1C[C@@H](C)O[C@H](C)C1 20167451 IHHCNZDGHQJZAX-ZIAGYGMSSA-N 346.298 4.570 0 50 EJAA Clc1ccccc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 43164403 WVVWSXNZBQNCQQ-UXHICEINSA-N 332.919 4.569 0 50 EJAA Cc1ncc(C)c(NCc2cccnc2Oc2c(C)cccc2C)n1 67818532 BKCQNCJKSYDIKP-UHFFFAOYSA-N 334.423 4.510 0 50 EJAA Cc1nc2ccccc2nc1N[C@H](C)c1nc(C(C)(C)C)cs1 170622197 BOWARPPTMTYTHX-GFCCVEGCSA-N 326.469 4.865 0 50 EJAA COc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@H]3C2)cc1 245311618 PBZXUXBYDBXDLZ-CTNGQTDRSA-N 336.435 4.611 0 50 EJAA CCCc1c(NCc2nccn2C(C)C)cnn1-c1ccccc1C 447889648 RJWQMFUOBVESEY-UHFFFAOYSA-N 337.471 4.523 0 50 EJAA Clc1ccccc1Cn1cc(CNCCC2=CCCCC2)cn1 683141048 OZGKAKIBKRDXNE-UHFFFAOYSA-N 329.875 4.565 0 50 EJAA Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 309933 GVAAQTDSZVPWMS-UHFFFAOYSA-N 349.381 4.793 0 50 EJAA CCN(CC)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 473279 PNOJMRBMXYUBSB-OUKQBFOZSA-N 346.833 4.977 0 50 EJAA CSc1nnc(-c2sc3cc(Cl)ccc3c2Cl)n1C 615973 PLLAACGAWIQPCF-UHFFFAOYSA-N 330.265 4.726 0 50 EJAA Cc1cc(C)c2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 949078 ABXBWRLDZKQFIN-UHFFFAOYSA-N 347.462 4.740 0 50 EJAA CCCN(CCC)C[C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 3068318 YTAMEPAICSZHEE-FGZHOGPDSA-N 341.495 4.634 0 50 EJAA CCOc1ccc2nc(NC(=O)c3ccc(C)cc3C)sc2c1 6242797 CIQXDWKUFLJMGM-UHFFFAOYSA-N 326.421 4.564 0 50 EJAA FC(F)(F)c1cc(NCCc2ccccn2)cc(C(F)(F)F)c1 8642935 JNLGTZHXSXJFAC-UHFFFAOYSA-N 334.263 4.774 0 50 EJAA CC[C@@H](NC(=O)Nc1ccccc1Br)c1ccccc1 13745338 IDXADNKVHFJNPD-CQSZACIVSA-N 333.229 4.722 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc(C)o3)C2)c1 19841528 XNNNROUADFVMMT-GOSISDBHSA-N 335.451 4.666 0 50 EJAA Cc1nn(C2CCCC2)c2[nH]c(-c3ccc([C@H]4CCCCO4)o3)nc12 65387814 GYXAOIDLDUFBPA-CQSZACIVSA-N 340.427 4.685 0 50 EJAA COC(=O)N(C)c1ccc(Oc2nc(C3CCCCC3)ns2)cc1 1875266202 PIVQMQQVSNUTST-UHFFFAOYSA-N 347.440 4.581 0 50 EJAA Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)s1 369041 YFOAXWIFNITVMF-UHFFFAOYSA-N 336.460 4.898 0 50 EJAA O=C(Nc1cccc(Br)c1)c1ccc2ccccc2c1 455458 ICYRRWVFICCSAE-UHFFFAOYSA-N 326.193 4.855 0 50 EJAA CSc1cccc(NC(=O)CSCc2ccccc2Cl)c1 567297 VJNMAGDOLWAHSX-UHFFFAOYSA-N 337.897 4.934 0 50 EJAA CCOC(=O)C(=O)c1cc(-c2ccccc2)c(-c2ccccc2)s1 2965667 KPIJYSBSLRVRJQ-UHFFFAOYSA-N 336.412 4.828 0 50 EJAA Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1C 3953643 RPLJILLBZAGRFG-UHFFFAOYSA-N 328.213 4.753 0 50 EJAA O=C(O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4011096 LRYRYLONUXSKTL-OAQYLSRUSA-N 342.398 4.741 0 50 EJAA CC(C)CCNc1ncc2c(n1)C[C@@H](c1ccccc1Cl)CC2=O 4182704 QGIHBIDBIYMZLG-CYBMUJFWSA-N 343.858 4.501 0 50 EJAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(F)c1 4840922 HYTTYVYIVJFDIH-UHFFFAOYSA-N 347.349 4.590 0 50 EJAA CC[C@H](CC(F)(F)F)NC(=O)c1sc(-c2cccs2)nc1C 170595305 FKEMMYGSGJGICK-SECBINFHSA-N 348.415 4.641 0 50 EJAA CC(C)c1cc([C@@H]2CCCN2Cc2ccc(-c3ccn[nH]3)s2)no1 215137728 GBCABRRZHIGIHX-INIZCTEOSA-N 342.468 4.587 0 50 EJAA CC(C)c1nc(CN(C)C(=O)c2cc3cc(Cl)ccc3[nH]2)cs1 223706138 JSDOFYJZKSVYTJ-UHFFFAOYSA-N 347.871 4.673 0 50 EJAA CC1=C(C)CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 225469773 IRSMPZHGZKFVNG-UHFFFAOYSA-N 346.883 4.575 0 50 EJAA CCCN(CCOC)C(=O)c1ccc(-c2cc(C)ccc2Cl)cc1 584896924 MZWINJZTBNQHEN-UHFFFAOYSA-N 345.870 4.814 0 50 EJAA CCCCN(Cc1cccnc1)C(=O)[C@]1(c2cccs2)CC1(C)C 952982830 RCJWSSUWJMNOKJ-HXUWFJFHSA-N 342.508 4.640 0 50 EJAA CCC1CCC([C@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 2325841078 CCPNUTZQBHGWDA-JHJOLFGTSA-N 329.528 4.622 0 50 EJAA CC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 30242 YANUBZAUARGUOG-UHFFFAOYSA-N 343.382 4.766 0 50 EJAA O=C(Nc1ccc(Cl)cn1)c1cccc(OCc2ccccc2)c1 171015 FVVYYLQFKACLPP-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA Cc1ccc(NC(=O)CC2c3ccccc3Oc3ccccc32)nc1 311105 NSSKVGDMROHZPP-UHFFFAOYSA-N 330.387 4.656 0 50 EJAA O=C(O)c1ccc2ccccc2c1C(=O)c1cccc2ccccc12 1599975 RIWKMLGHFLUSHK-UHFFFAOYSA-N 326.351 4.922 0 50 EJAA CCn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc21 2817992 ZSRAUQXTGSOKCD-UHFFFAOYSA-N 326.465 4.844 0 50 EJAA Cc1nc2c(Cl)cccc2c(O)c1CN(C)Cc1ccccc1 8700854 OFKVXESFRKEOJJ-UHFFFAOYSA-N 326.827 4.534 0 50 EJAA Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1C 10461541 YNWLXSMXXYYRFA-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA CC(C)(C)C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 12120236 JGELJGFCVIQLHC-QGZVFWFLSA-N 344.430 4.971 0 50 EJAA Cc1cc(Cl)cc(Cl)c1OCCCCN1C[C@H](C)O[C@@H](C)C1 20167455 IHHCNZDGHQJZAX-KBPBESRZSA-N 346.298 4.570 0 50 EJAA O=S(=O)(C1=CC2c3ccccc3C1c1ccccc12)c1ccccc1 39428265 DGGONIYYSSURKZ-UHFFFAOYSA-N 344.435 4.635 0 50 EJAA OCC[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 43215038 CNCMDTWAHPBVCK-QHCPKHFHSA-N 331.459 4.813 0 50 EJAA Fc1ccc(Oc2ncccc2CNc2ncccc2Cl)cc1F 67974043 XKEXLVMHUNDDCH-UHFFFAOYSA-N 347.752 4.813 0 50 EJAA CSc1ccc([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1 71767166 BZMSVJSCYVEWBD-NHCUHLMSSA-N 335.472 4.843 0 50 EJAA Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 170630491 QDRDOBUIQPZTCB-LJQANCHMSA-N 325.456 4.599 0 50 EJAA Cc1nc(NC(=O)c2cc(CC(C)C)[nH]n2)cc(-c2ccccc2)c1C 1857724574 IERHMCZPEIQYHW-UHFFFAOYSA-N 348.450 4.539 0 50 EJAA COc1ccc([C@H](CC(=O)NC2CCCCC2)c2ccccc2)cc1 319587 RVABJCMSUQAKLU-OAQYLSRUSA-N 337.463 4.666 0 50 EJAA COc1ccc([C@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)cc1 401106 ZHCIBQAOOXEWGW-PMACEKPBSA-N 336.431 4.811 0 50 EJAA CO[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 454309 ILCAMHRLCDDSRN-OAQYLSRUSA-N 347.414 4.592 0 50 EJAA c1ccc2oc(SCCSc3nc4ccccc4o3)nc2c1 1907564 HDOCKUPLIICONX-UHFFFAOYSA-N 328.418 4.853 0 50 EJAA O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)C1CCCCC1 1972173 KCWXCXJWPMRHIC-UHFFFAOYSA-N 338.359 4.539 0 50 EJAA CCCc1ccc(Oc2c(-c3ccc(OC)cc3O)n[nH]c2C)cc1 4755609 AFUDSWMBPZLGSY-UHFFFAOYSA-N 338.407 4.844 0 50 EJAA CC(C)COC(=O)Oc1c(Cl)cc(Cl)cc1Br 4985345 JVELJIYHBATPQE-UHFFFAOYSA-N 342.016 4.927 0 50 EJAA C1=CC[C@H](CN2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)CC1 199811199 PAFHJBJGROHXQW-PMACEKPBSA-N 335.495 4.536 0 50 EJAA Cc1ccc(-c2cc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3)on2)cc1 1775975343 ACUZEQPBWILNMB-SJORKVTESA-N 336.366 4.531 0 50 EJAA Cc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 135870 AXCCFHSMUNKGCU-UHFFFAOYSA-N 341.354 4.624 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 170886 NMYUVRVWGALFTQ-UHFFFAOYSA-N 328.843 4.512 0 50 EJAA COc1ccc(-c2cc(C(=O)OCC(C)C)c3ccccc3n2)cc1 315410 QNUYJJUNNBCXDW-UHFFFAOYSA-N 335.403 4.723 0 50 EJAA biogenic CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 449825 UDAYKGQFPPCRNU-ZDUSSCGKSA-N 329.827 4.946 0 50 EJAA Cc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccc2)cc1 1279411 ZAQBQKNSAJYYCM-IBGZPJMESA-N 349.459 4.913 0 50 EJAA COc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 1319329 ZWFACHSZQCZGDM-UHFFFAOYSA-N 346.430 4.930 0 50 EJAA Cc1ccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1773417 ZZGRAZCTCGCEHW-UHFFFAOYSA-N 337.341 4.812 0 50 EJAA CCC(C)(C)C1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2)CC1 13746224 FVYNPHCFYYMQAW-UHFFFAOYSA-N 346.471 4.590 0 50 EJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1C 18247317 FFLMDJMTUUZMJA-OALUTQOASA-N 347.414 4.551 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3)C2)c1 19220780 MJCOHUNHULTAFH-HXUWFJFHSA-N 331.463 4.765 0 50 EJAA Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36620378 BKMMCDZPSDVCJY-GOSISDBHSA-N 328.843 4.695 0 50 EJAA O=C(/C=C/c1cccc(F)c1)OCc1ccc(Oc2cccnc2)cc1 2325719758 VXZMLVIOWJCYQN-DHZHZOJOSA-N 349.361 4.770 0 50 EJAA CC(C)(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)s1 374489 UROWBTAOEQYJAP-CHWSQXEVSA-N 349.887 4.522 0 50 EJAA Cc1cc(C)c(NC(=O)c2ccc(Br)o2)c(Cl)c1 1284932 KYYUKEQKCTYWQN-UHFFFAOYSA-N 328.593 4.565 0 50 EJAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 2762386 SWQZLELVTXJASH-OAHLLOKOSA-N 341.451 4.707 0 50 EJAA COc1cc(C)c(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1C(C)C 2999453 NTVJECKTUYLQPR-HNNXBMFYSA-N 330.255 4.649 0 50 EJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 18155661 JMCJYXSZLBMTGE-WOJBJXKFSA-N 349.430 4.775 0 50 EJAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1C 64984628 AGCGVIDERZASLB-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA CSc1ccccc1[C@@](C)(O)[C@@H](c1ccccc1)c1ccccn1 71767236 GVVIRGZGDVHMFR-LEWJYISDSA-N 335.472 4.843 0 50 EJAA Cc1ccc([C@@H]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 2325773384 RCMCGFVQGZEVPT-ZWKOTPCHSA-N 326.440 4.713 0 50 EJAA CC(C)(CN[C@@H]1CCCc2cccnc21)c1coc(-c2ccccc2)n1 2325773932 AYOXSQMXIMYFKO-GOSISDBHSA-N 347.462 4.681 0 50 EJAA Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 153367 ISPPZKXCELSYHG-UHFFFAOYSA-N 339.416 4.588 0 50 EJAA Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)(C)C3 339407 VPJROGGKJGSCTQ-UHFFFAOYSA-N 339.826 4.513 0 50 EJAA CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2Br)c1 611652 LVNVYNOQZBORBA-UHFFFAOYSA-N 347.212 4.604 0 50 EJAA CCCc1sc(C(=O)N2CCCC[C@H]2CC)cc1Br 1459125 ITDKTTNXTJFENI-LLVKDONJSA-N 344.318 4.868 0 50 EJAA Cc1cc(C)cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 2763148 VYIVJABEJNJZLH-UHFFFAOYSA-N 339.366 4.867 0 50 EJAA Cc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1ccccc1 2934357 UQEPCABGWLPIFJ-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](C(C)C)O2 6048360 NXTMWQFQILLCDW-CTNGQTDRSA-N 336.435 4.611 0 50 EJAA O=S(=O)(c1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 39247183 UXBRMSHTEPIPIZ-ORFBVSJDSA-N 346.451 4.510 0 50 EJAA CCc1noc([C@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 170627037 VGCCFZDLJFINGT-ZDUSSCGKSA-N 334.423 4.933 0 50 EJAA Cc1cc(NC(=S)NCc2cccs2)cc(C(F)(F)F)c1 792695997 SSXSENJFUYIXNR-UHFFFAOYSA-N 330.400 4.562 0 50 EJAA CCn1c(C)cc2cc(NC(=O)c3csc(C(C)C)n3)ccc21 823582495 DIWJPCBHNKVEOA-UHFFFAOYSA-N 327.453 4.802 0 50 EJAA Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)[C@H]1C[C@@H]1c1ccccc1 1875255133 BCFCDIWASUBZMD-NIKGAXFTSA-N 346.430 4.572 0 50 EJAA Cc1ccc(C)c(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 116526 RONPUNZJCAFCGB-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA Cc1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1 122474 QICYSNXYDTXOTL-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA Cc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1 214160 SWQBRSOGPYAELF-UHFFFAOYSA-N 328.415 4.972 0 50 EJAA CCCc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)OCO2 381815 MHXBXMOQIMDNLQ-UHFFFAOYSA-N 339.435 4.918 0 50 EJAA Cc1cc(Br)ccc1OCCCCN1CCCCCC1 2838843 LMJBEKGHLXDRLB-UHFFFAOYSA-N 340.305 4.793 0 50 EJAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCC1 2871131 REZXKGNQQHNVQI-UHFFFAOYSA-N 325.252 4.853 0 50 EJAA CCCCOc1cccc(C(=O)Nc2cccc(Br)c2)c1 2999749 JNNATGNWAHDUSG-UHFFFAOYSA-N 348.240 4.880 0 50 EJAA Cc1ccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc1 6702104 YBCMICPYRQJIMN-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA C/C(=C\c1cccc(-c2ccccn2)c1)c1nc2sccc2c(=O)[nH]1 180321810 RKDPMZYHDGBUQH-ACCUITESSA-N 345.427 4.607 0 50 EJAA CCC(=O)c1ccccc1OCCCn1cnc2cc(C)c(C)cc21 2881550 SBWWMOGMIVIINL-UHFFFAOYSA-N 336.435 4.715 0 50 EJAA COc1cccc(OC)c1OCCCCOc1cc(C)ccc1C 2983692 FXKGVFGSUWCTFV-UHFFFAOYSA-N 330.424 4.559 0 50 EJAA Fc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccco2)c(F)c1 4020565 VGXQEISAEAIRBX-HNNXBMFYSA-N 330.359 4.975 0 50 EJAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCCCC1 16946812 FRVVEGFMDIGTQN-UHFFFAOYSA-N 338.838 4.839 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3cccs3)on2)cc1 21150686 QTFOTZPVWBTLRA-INIZCTEOSA-N 338.432 4.689 0 50 EJAA O=C1CCCc2cc(NCc3nc(-c4ccccc4)cs3)ccc2N1 130413305 MWXGVMRRHJYRRL-UHFFFAOYSA-N 349.459 4.697 0 50 EJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCc1csc(-c3ccccn3)n1)C2 229741863 VJRIICVLKLUZJS-AXHNFQJDSA-N 327.497 4.510 0 50 EJAA Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2c2ccsc2)c(C)c1 252452303 BBWLQNXFFZVDJX-YJBOKZPZSA-N 328.481 4.529 0 50 EJAA CCCC[C@@H](NC1CCN(c2ccccc2C)CC1)c1cccnc1 822830903 JKDWFYIHBLYSRH-OAQYLSRUSA-N 337.511 4.880 0 50 EJAA COc1ccc(OC)c2c(C)cc(N[C@@H]3CCC[C@H](C)[C@H]3C)nc12 824645597 YFSFCGCONKORMP-NWANDNLSSA-N 328.456 4.797 0 50 EJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1 64694 YOYZCKAQFIDPPY-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA Cc1ccc(C)c(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 112170 MOBSIUNSJVZRCN-UHFFFAOYSA-N 345.442 4.588 0 50 EJAA CC(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 168380 YTBPFVPLGMENGR-UHFFFAOYSA-N 344.263 4.918 0 50 EJAA COc1ccc([C@@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)cc1 401103 ZHCIBQAOOXEWGW-WOJBJXKFSA-N 336.431 4.811 0 50 EJAA COc1ccc(NC(=O)CSCc2ccccc2C)cc1Cl 453448 AAUHCJVJZCPMPC-UHFFFAOYSA-N 335.856 4.529 0 50 EJAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1C[C@@H]1c1ccccc1 475849 AEIJUXXVEWCNGC-HZPDHXFCSA-N 338.407 4.691 0 50 EJAA COc1ccc(C(=O)N[C@H](c2ccccc2)c2cc(C)ccc2C)cc1 620101 YJCPMUAOBWKFLK-JOCHJYFZSA-N 345.442 4.831 0 50 EJAA CC(C)NC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12 2760968 CUNNDHQZPUOECC-UHFFFAOYSA-N 348.446 4.827 0 50 EJAA Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 2763364 GASOQAAUMNRJGW-INIZCTEOSA-N 325.452 4.549 0 50 EJAA O=C(N(Cc1ccccc1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 3998600 LKLFNWAQJYRLDW-UHFFFAOYSA-N 346.474 4.831 0 50 EJAA CCN(C(=O)c1scnc1C1CCCC1)c1ccc(F)c(F)c1 183987976 CWHRDLHUUGLEJL-UHFFFAOYSA-N 336.407 4.746 0 50 EJAA C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1c1cccs1 241338544 MBNJTGXWKFACMX-RYUDHWBXSA-N 331.466 4.758 0 50 EJAA CC(C)[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253607816 HSPBAJZIILLPKZ-TUBSGNOOSA-N 330.512 4.761 0 50 EJAA CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OCc1cccc(Cl)c1 261508081 PNMQHMCDGRXMPK-HOTGVXAUSA-N 339.863 4.693 0 50 EJAA Clc1cccc2c1CCN(Cc1cc(CN3CCCC3)cs1)C2 825595026 CYBFNYQTDCDHBF-UHFFFAOYSA-N 346.927 4.556 0 50 EJAA Cc1cc([C@H]2CCCN2Cc2cccc(Oc3ccccn3)c2)no1 891646898 CSDMKHVFJQFTIQ-LJQANCHMSA-N 335.407 4.507 0 50 EJAA CCn1c(C)cc2cc(NC(=O)c3c(F)cc(OC)cc3F)ccc21 952963877 LMFSLDNSYRFOGR-UHFFFAOYSA-N 344.361 4.509 0 50 EJAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CCCC1 375969 POKBAUIEGGHOPE-UHFFFAOYSA-N 343.448 4.639 0 50 EJAA COc1ccccc1CNC(=O)c1sc2cc(C)ccc2c1Cl 1054025 VQAOEJFXUJBYQJ-UHFFFAOYSA-N 345.851 4.802 0 50 EJAA Nc1nccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 1383698 WKEMPPFUYBYBMJ-UHFFFAOYSA-N 346.217 4.612 0 50 EJAA O=C(O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4011095 LRYRYLONUXSKTL-NRFANRHFSA-N 342.398 4.741 0 50 EJAA COc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5516297 CQXXITRXJQLHHA-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1C=O 6658222 VVUOQSDHGDWENN-UHFFFAOYSA-N 338.382 4.973 0 50 EJAA COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 7310081 GYUXMTPFNZDDDA-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cc1 95516599 UKXGDMHZNZQCPR-LJQANCHMSA-N 339.483 4.607 0 50 EJAA Cc1cc(Cl)cc(CNc2cc(C(=O)N(C)C)ccc2Cl)c1 395154250 KGCSTRNAIIFERB-UHFFFAOYSA-N 337.250 4.616 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@@H](CC(C)C)c1ccccc1 2325841568 AANRYMNKLDOUFZ-UGKGYDQZSA-N 325.496 4.523 0 50 EJAA COc1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1O 280458 AVOSPNFVMZBFBU-UHFFFAOYSA-N 335.403 4.689 0 50 EJAA CC[C@H](C(=O)Nc1ccccc1NC(=O)c1ccco1)c1ccccc1 367914 UTDKDTBADHFDLJ-INIZCTEOSA-N 348.402 4.664 0 50 EJAA C[C@@H]1SC2(CCCCC2)N(c2ccc(Br)cc2)C1=O 1063934 PFXLETOLBSXYAK-NSHDSACASA-N 340.286 4.578 0 50 EJAA COc1ccc(CNCC[C@@H](c2ccc(C)cc2)c2ccco2)cc1 2117757 PRZCURDAEIBKLV-NRFANRHFSA-N 335.447 4.908 0 50 EJAA aggregator Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 2532572 ZPAQVDQEDAOJPJ-UHFFFAOYSA-N 348.631 4.537 0 50 EJAA CCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 2609218 WYYUEYXQSYSAEM-UHFFFAOYSA-N 325.408 4.629 0 50 EJAA O=C(Nc1ccccc1Br)C12CC3CC(CC(C3)C1)C2 4964863 YPMSFTHDCZIYTF-UHFFFAOYSA-N 334.257 4.604 0 50 EJAA Cc1cccc(-c2c[nH]nc2C2CCN(Cc3ccccc3)CC2)c1 20203419 RQRXBFJLGRFDBE-UHFFFAOYSA-N 331.463 4.765 0 50 EJAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccs3)C2)c1 20994047 MAXRNHLTNKYPNK-OAHLLOKOSA-N 341.455 4.657 0 50 EJAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1 35511335 DIDUERXIUZMWTK-HNNXBMFYSA-N 333.819 4.820 0 50 EJAA Clc1cccc(Cl)c1-c1nc2ccnc(Br)c2o1 95698496 PGJONSWOWDTUEE-UHFFFAOYSA-N 343.995 4.959 0 50 EJAA Cc1nnc(-c2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)cc2)o1 96150786 BHUBJMAKFPHXLA-HNNXBMFYSA-N 333.435 4.869 0 50 EJAA CC(C)(C)c1ccc(NC(=O)c2cc(-c3ccccc3)ncn2)cc1 141084033 BQOHZINXZFJKMT-UHFFFAOYSA-N 331.419 4.693 0 50 EJAA COc1ccc(F)c(NC(=O)N2CCc3c(cccc3C(C)C)C2)c1 240757080 HWDYGHAGCJBGIR-UHFFFAOYSA-N 342.414 4.548 0 50 EJAA COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)cc1 242047983 VRTWGQRWALVIPP-QRVBRYPASA-N 339.435 4.536 0 50 EJAA CC(C)c1ccc2c(c1)[C@@H](N[C@H](c1cccnc1)c1ncc[nH]1)CCC2 358967484 SUPKFRGANSKXBB-LEWJYISDSA-N 346.478 4.685 0 50 EJAA Clc1oc2ccccc2c1CNCc1ccc2c(n1)CCCC2 444002839 HETDRXONLRIMPN-UHFFFAOYSA-N 326.827 4.650 0 50 EJAA Cc1ccc(CN(C(=O)N[C@H](C)c2ccc(F)cc2)C2CC2)s1 952985253 AHFUMDAYRMGKKI-CYBMUJFWSA-N 332.444 4.631 0 50 EJAA O=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 313795 HIJSLUFNSLINHN-UHFFFAOYSA-N 329.566 4.679 0 50 EJAA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl 451360 MPUXIEHMIOLJMV-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA O=C(N(Cc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 1738632 YXYASEBSOHPGRB-UHFFFAOYSA-N 328.626 4.590 0 50 EJAA CC(C)CCSc1nc2ccccc2c(=O)n1Cc1ccccc1 2884632 VEHOJDQFFBYMBS-UHFFFAOYSA-N 338.476 4.583 0 50 EJAA CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2Cl)CC1 4060853 OOWJSIJPXPSSKP-UHFFFAOYSA-N 345.270 4.805 0 50 EJAA CCN(CC)CCCn1c(-c2ccccc2)cn2c3ccccc3nc12 4329512 QSSUCOKOBLKUMC-UHFFFAOYSA-N 346.478 4.688 0 50 EJAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccccc1F 13736926 AANGNNOMGUGAIM-UHFFFAOYSA-N 332.444 4.941 0 50 EJAA O=C(/C=C\c1ccccc1)Nc1ccc(-c2nc3ncccc3o2)cc1 15659832 BDYTUPPXYDGEJU-JYRVWZFOSA-N 341.370 4.542 0 50 EJAA CC(C)c1nc(CN(C)Cc2ccc([C@H]3CCCO3)s2)cs1 214973218 FTQSHAJBOZURNI-OAHLLOKOSA-N 336.526 4.812 0 50 EJAA Cc1cccc(F)c1NC(=O)N[C@@H](c1ccccc1)c1nccs1 253429725 UZTWUMBYQKCBOQ-INIZCTEOSA-N 341.411 4.502 0 50 EJAA COc1ccc(CN(C)[C@H](C)c2cccs2)cc1CN1CCCC1 952965475 DPURPHJMOCQIDV-MRXNPFEDSA-N 344.524 4.546 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 176012 ZIJMHYBEKXZJLG-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA COc1ccc(OC)c([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)c1 381206 NJKYRAHRUPTIEJ-SFHVURJKSA-N 333.387 4.597 0 50 EJAA CCn1c(C)c(C)c2cc(C(=O)N3CCCc4ccccc43)ccc21 2763790 SKTZZLDXNQDWKY-UHFFFAOYSA-N 332.447 4.871 0 50 EJAA O=C(Nc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 2879839 RIHOYVMBUVLYNC-UHFFFAOYSA-N 341.370 4.656 0 50 EJAA CC[C@@H](C(=O)Nc1cccc2nc(C(F)(F)F)[nH]c12)c1ccccc1 4625525 NPWKGIXCHLAERJ-GFCCVEGCSA-N 347.340 4.714 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 4843122 WPBXDQOAAWKIST-UHFFFAOYSA-N 346.597 4.613 0 50 EJAA CCCCSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 5069343 POWJFTGVLMZNNM-UHFFFAOYSA-N 348.475 4.920 0 50 EJAA Cc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2C)cc1 11152959 IUVPGFWTYASTHM-UHFFFAOYSA-N 347.846 4.875 0 50 EJAA Cc1nc([C@@H](C)N(C)C(=O)c2c(F)ccc(C)c2Cl)c(C)s1 92077785 XDRGEDBOUQUBNB-SECBINFHSA-N 340.851 4.694 0 50 EJAA Cc1ccnc2[nH]c(CN(C)[C@H](C)c3ccc(Cl)cc3Cl)nc12 170594536 NRNRYNSGLRRMED-LLVKDONJSA-N 349.265 4.766 0 50 EJAA O=C(O)c1ccccc1Nc1nc(-c2ccccc2)c2ccccc2n1 252478573 APRDOFLUILGGQT-UHFFFAOYSA-N 341.370 4.739 0 50 EJAA O=C(Nc1ccccc1OCC1CCCCC1)c1ccn2ccnc2c1 1875336764 GQIWJVRHIXDYSL-UHFFFAOYSA-N 349.434 4.546 0 50 EJAA Cc1ccc(Sc2ccnc(N[C@H]3CC[C@]4(C3)CC4(F)F)n2)cc1 1875408550 YVUYZCSYXKOVCE-GUYCJALGSA-N 347.434 4.926 0 50 EJAA Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 443199 JXHUSSOKWKSKKA-UHFFFAOYSA-N 327.387 4.562 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)N3CCCCC3)cc2)cc1 571952 WQDZEUPJKGWIEH-UHFFFAOYSA-N 325.477 4.913 0 50 EJAA Clc1ccccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 13990432 WQJYYSQSQGBYFR-UHFFFAOYSA-N 341.794 4.619 0 50 EJAA O=C(NCc1ccccn1)/C(=C/c1ccccc1Cl)c1ccccc1 22276240 UOBDMGDPKIBMCO-XMHGGMMESA-N 348.833 4.592 0 50 EJAA CSc1ccccc1[C@@](C)(O)[C@H](c1ccccc1)c1ccccn1 71767238 GVVIRGZGDVHMFR-NHCUHLMSSA-N 335.472 4.843 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c(C)c1 72436851 UAKPCGKCBFVYMM-UHFFFAOYSA-N 347.422 4.789 0 50 EJAA Cc1cc(C)c(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c(C)c1 121517483 DPRAMZJFKAMSJG-NRFANRHFSA-N 347.462 4.603 0 50 EJAA O=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1ccncc1)C1CC1 220097260 GIKURUMEXNAGKZ-UHFFFAOYSA-N 346.405 4.693 0 50 EJAA C[C@H]1c2cccn2CCN1C(=O)N1Cc2ccccc2-c2ccccc21 1875338523 AILQTEMNCOJVRO-INIZCTEOSA-N 343.430 4.672 0 50 EJAA CC(C)c1ccccc1NC(=O)[C@H](C)NCC1CC(=C2CCC2)C1 2325850104 LYZOBFXKMFMREJ-HNNXBMFYSA-N 326.484 4.617 0 50 EJAA O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1cccs1 150946 MMNUFNBTUPTYMR-UHFFFAOYSA-N 348.379 4.741 0 50 EJAA C[C@@H]1CCCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 194953 UXTFMAAQXOVMCR-VQIMIIECSA-N 325.477 4.779 0 50 EJAA CCOc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 477138 GIDGRKGBFHDSAR-UHFFFAOYSA-N 347.842 4.627 0 50 EJAA CCc1cccc(CC)c1NC(=O)c1ccc(SC)cc1OC 620034 NEQKQQOQJYJCGQ-UHFFFAOYSA-N 329.465 4.794 0 50 EJAA CCOc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1 6728577 UCWPJRUVKWEJAN-UHFFFAOYSA-N 338.451 4.572 0 50 EJAA CSc1ccccc1NC(=O)Nc1ccccc1Br 13745446 KZIMJQSAXJTQAV-UHFFFAOYSA-N 337.242 4.815 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 85210030 PZDPUQUIZKCNOF-CYBMUJFWSA-N 326.234 4.521 0 50 EJAA CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O 218073237 UTGPKJRGVZQZHC-AWEZNQCLSA-N 342.435 4.794 0 50 EJAA biogenic O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(-c2ccccc2)cs1 263508322 MQUGAWWECAKHFH-IPELMVKDSA-N 341.476 4.633 0 50 EJAA CC1(C)CN(C(=O)c2conc2-c2ccccc2)C[C@H]1c1ccccc1 426712153 OBGDTYQHCAIEMG-IBGZPJMESA-N 346.430 4.607 0 50 EJAA O=c1cc(-c2ccccc2Cl)oc2ccc(Br)cc12 58090 FVVOWPSJYLMBFF-UHFFFAOYSA-N 335.584 4.876 0 50 EJAA biogenic COc1ccc(-c2c(C)nn3c(-c4ccccc4)cc(C)nc23)cc1 184279 MHMXZDIZADPLOU-UHFFFAOYSA-N 329.403 4.689 0 50 EJAA Nc1ccc(-c2cc(-c3cccc(N)c3)nc(-c3ccccc3)n2)cc1 210779 NJUJQCABARCLKL-UHFFFAOYSA-N 338.414 4.642 0 50 EJAA CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1Cl 465326 CKOLGTJOVLMWMO-UHFFFAOYSA-N 340.206 4.653 0 50 EJAA CCN(CC)C(=O)C[C@H](c1ccccc1)c1ccc(OC(C)C)cc1 487475 PWCHJIKFPJKPKD-OAQYLSRUSA-N 339.479 4.864 0 50 EJAA biogenic Cc1ccc(OCCCC(=O)Nc2cccc(Br)c2)cc1 1775873 ITYRFVWZEBGBBE-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA O=C(Nc1cccc2ccccc12)c1ccc(OC[C@H]2CCCO2)cc1 12406132 NYNTVMYIMMRZJD-LJQANCHMSA-N 347.414 4.650 0 50 EJAA CCCc1c(-c2ccccc2)ncn1Cc1cc(-c2ccco2)on1 65366258 UEGDHMLQDIYDAE-UHFFFAOYSA-N 333.391 4.799 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@H]3c3ccccn3)[nH]c12 91319996 GVBYEZLMLOZSBY-SFHVURJKSA-N 347.462 4.856 0 50 EJAA CC(=O)Nc1ccc(Cl)c(NC(=O)c2csc3ccccc23)c1 408526038 KPGKJPLSRZIZCW-UHFFFAOYSA-N 344.823 4.765 0 50 EJAA CC(=O)Nc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)cc1C 743467004 ZNGXQFLGWUKGOU-CQSZACIVSA-N 335.407 4.782 0 50 EJAA CCOc1cc(C=O)cc(Br)c1OCc1ccccc1C 37148 FKEXDBYNMWXYFT-UHFFFAOYSA-N 349.224 4.548 0 50 EJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1C 196438 WXGQMMZZKDFUQJ-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Fc1cccc(Cn2cc(C(=S)N3CCCC3)c3ccccc32)c1 356544 MVAXZPKQLUPGDL-UHFFFAOYSA-N 338.451 4.600 0 50 EJAA O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)CCC3 427629 XMOXNUZQOSJZDI-AWEZNQCLSA-N 332.230 4.956 0 50 EJAA CN(C(=O)CSc1ccnc2cc(Cl)ccc12)c1ccccc1 1427385 AFSOPIOWTOBHIT-UHFFFAOYSA-N 342.851 4.643 0 50 EJAA Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1Cl)CCCC2 2522258 MQBHUVBNOLCBIT-UHFFFAOYSA-N 341.263 4.768 0 50 EJAA O=C1C=C(N(Cc2ccccc2)Cc2ccccc2)C2(CCCCC2)O1 4776211 WFENHRMXDPHJHM-UHFFFAOYSA-N 347.458 4.832 0 50 EJAA Nc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1 8310645 AADBHLDJBJJZKC-UHFFFAOYSA-N 343.430 4.755 0 50 EJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91770194 LBGHRHVLNOBAAX-SFHVURJKSA-N 335.451 4.711 0 50 EJAA C[C@H](Sc1ccncc1)C(=O)Nc1ccccc1-c1ccccc1 119314966 VZBZTGFIJPAIIS-HNNXBMFYSA-N 334.444 4.868 0 50 EJAA C[C@@H](NC(=O)c1ccc[nH]c1=S)c1cc2cc(Cl)ccc2o1 136713426 WBOFOQISNPYDNX-SECBINFHSA-N 332.812 4.635 0 50 EJAA O=C(c1csc(-c2cccs2)n1)N1CC2(CC2)c2ccccc21 172429611 LWBRUOIPXBZRBM-UHFFFAOYSA-N 338.457 4.564 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 254750293 KLFLXXSXHKVJTP-VMXMZTHUSA-N 332.484 4.530 0 50 EJAA Cc1ccc(-c2nc(Cc3cc(C)ccc3C)n(CC3CC3)n2)cc1 1875347695 COKHSWWIEYLSAK-UHFFFAOYSA-N 331.463 4.871 0 50 EJAA C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nc2ccccc12 102327 SSNAQHSCSLMQSL-MRXNPFEDSA-N 330.431 4.916 0 50 EJAA c1ccc(-c2cc3c(Oc4ccc5c(c4)OCO5)ncnc3s2)cc1 390183 QMZRSDWZAWVZJI-UHFFFAOYSA-N 348.383 4.879 0 50 EJAA Cc1ccccc1OCCCC(=O)Nc1ccc(Br)cc1 1772502 HFFMSXLUCQPBIG-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1cccs1 2478188 SYYGORSWPHLEHA-UHFFFAOYSA-N 346.411 4.620 0 50 EJAA Fc1cccc(NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1 5063106 FFUXVGFOXJPNFX-UHFFFAOYSA-N 343.471 4.621 0 50 EJAA COc1ccc(-n2c([C@@H]3C[C@H]3c3ccc(C)cc3)n[nH]c2=S)cc1 6533835 SQYRRWLGSBFELZ-DLBZAZTESA-N 337.448 4.518 0 50 EJAA COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1OC 6582750 CZDSZMIUEQFELV-UHFFFAOYSA-N 347.414 4.547 0 50 EJAA COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(C)C)C2 14994341 PFPYBDPLFDHUAC-UHFFFAOYSA-N 343.492 4.687 0 50 EJAA COc1cc2c(Cl)nc(Cl)nc2cc1OCc1ccccc1 66054863 PTQCMUDKRFNQCR-UHFFFAOYSA-N 335.190 4.524 0 50 EJAA COc1ccccc1-c1cc(Cn2ccnc2-c2ccccc2C)on1 77486116 ULRTZAHJPIZBKZ-UHFFFAOYSA-N 345.402 4.570 0 50 EJAA COCc1cc(Cl)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 425636193 RNIWBILLRGBDIF-CHWSQXEVSA-N 349.780 4.794 0 50 EJAA CC[C@H]1C[C@H](NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCO1 1473966448 XDYMYLDNOCPCQW-KGLIPLIRSA-N 330.299 4.818 0 50 EJAA Oc1cccc(CNCC2(c3ccccc3)CCCCCC2)c1F 1875317646 GQXPLPUYSAFUDV-UHFFFAOYSA-N 327.443 4.913 0 50 EJAA Cc1cc(O[C@H](C)C(=O)N2CCCc3ccccc32)cc(C)c1Cl 150827 QYFNCWNZUWRXKC-OAHLLOKOSA-N 343.854 4.704 0 50 EJAA CN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 311613 KTTOLWRRMLZASK-UHFFFAOYSA-N 348.880 4.705 0 50 EJAA Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)s1 461798 MRRQIBLTSQAYMO-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA O=C(/C=C/c1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 475581 GGKRGFXRZVAUNX-FPYGCLRLSA-N 332.787 4.741 0 50 EJAA C[C@H](Nc1ncnc2ccc(Br)cc12)c1ccccc1 4056141 CHSGMSKKQNWQKP-NSHDSACASA-N 328.213 4.565 0 50 EJAA Cc1c(C=O)cc2c(c1C)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C 4812088 QZRNZGINERXWAP-JOCHJYFZSA-N 333.431 4.645 0 50 EJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 8769631 LMKCCHDNYSCZPO-HNNXBMFYSA-N 338.436 4.724 0 50 EJAA CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C3CCSCC3)C2)cc1 23478139 PDRVYFIDBHSGLM-KRWDZBQOSA-N 345.552 4.774 0 50 EJAA Cc1nc(C(F)(F)F)nc(NCc2ccc3[nH]c(C)c(C)c3c2)c1C 71753747 PGMVPMLSWPBWRR-UHFFFAOYSA-N 348.372 4.822 0 50 EJAA Cc1cc(C)c2[nH]c(C(=O)N3CCCC[C@H]3c3ccccn3)c(C)c2c1 91724958 FMSPQLDHOYWLCV-IBGZPJMESA-N 347.462 4.856 0 50 EJAA Cc1cc2cc(NC(=O)N3CCCC[C@H]3c3cccnc3)ccc2o1 95509031 LYVQGSKNWSKQRE-SFHVURJKSA-N 335.407 4.895 0 50 EJAA C[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@H]21 239347373 MULDAFDMOJEJEP-XARADAHVSA-N 336.475 5.382 0 50 EJAA biogenic Cc1cc(NC(=O)[C@H](C)c2cccc(C(F)(F)F)c2)cc2n[nH]cc12 1875321601 OCXAWUGKXANOFF-LLVKDONJSA-N 347.340 4.632 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 38488 BBCGFKNEZSYBIO-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 566563 VDWDLECHMZLDKJ-GFCCVEGCSA-N 328.481 4.734 0 50 EJAA Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)s1 2740964 YLSOADWBPWZOHP-UHFFFAOYSA-N 337.370 4.901 0 50 EJAA CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 4841386 GYBMXQGOCCSRMX-UHFFFAOYSA-N 329.787 4.528 0 50 EJAA CC(C)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 13616606 DTKVSVBSSIOTDD-RHSMWYFYSA-N 332.856 4.927 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)NCc3ccncc3)cc2)cc1 17360228 SXLCRXONHXFNBM-UHFFFAOYSA-N 348.471 4.612 0 50 EJAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccc(Cl)cc1 30364178 DREBUEAMUMMVID-OAHLLOKOSA-N 342.782 4.565 0 50 EJAA C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 33294498 GVIAXRUEUWNZTF-DPZKZMLUSA-N 334.246 4.974 0 50 EJAA Fc1cccc(-c2noc3c2CN(C/C=C/c2ccccc2)CC3)c1 67803827 DJNAJNVCZZMYOL-VMPITWQZSA-N 334.394 4.552 0 50 EJAA Fc1ccc([C@@H]2CCCCN2Cc2cc(-c3ccccn3)no2)cc1 72163934 NGOYLEMZDXFGAT-FQEVSTJZSA-N 337.398 4.603 0 50 EJAA Cc1ccc2nc(C)cc(C(=O)N3CCCC[C@H]3c3cccnc3)c2c1 72448425 OFWDQPXVWFAFBX-NRFANRHFSA-N 345.446 4.614 0 50 EJAA O=C(c1ccco1)N1N=C(c2ccc(Cl)o2)C[C@@H]1c1cccs1 225498835 AOKRDJNCUXYOFJ-LLVKDONJSA-N 346.795 4.579 0 50 EJAA Clc1ccc(Cn2c[n+](CCc3ccccc3)c3ccccc32)cc1 252490683 KZAONKZSTJPNTF-UHFFFAOYSA-N 347.869 4.873 0 50 EJAA CC(C)(C)OC(=O)N1CCCc2cc(-c3ccncc3)c(F)cc21 2325776631 DVEVXMZBGNWQQV-UHFFFAOYSA-N 328.387 4.575 0 50 EJAA Cc1ccccc1[C@H](CC(C)C)NC[C@@H](CO)Cc1ccccc1F 2325842462 ZOBBRRNTLUMKJA-AVRDEDQJSA-N 343.486 4.662 0 50 EJAA COc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC(F)F 374299 HQQHERQXPPJBBK-UHFFFAOYSA-N 341.741 4.511 0 50 EJAA O=C(CCSc1ccc(Br)cc1)c1cccs1 403767 LOFVZDMPBHMUMZ-UHFFFAOYSA-N 327.268 4.876 0 50 EJAA COc1ccc(C)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 443119 IUGBUPHJYATFGE-VMPITWQZSA-N 336.218 4.962 0 50 EJAA O=C(Nc1ccccc1Cl)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 2924419 IZNCOMVUSQSJNF-UONOGXRCSA-N 340.637 4.866 0 50 EJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccccc1)C2 12471032 WEZLFDIXWXJSJO-UHFFFAOYSA-N 337.444 4.515 0 50 EJAA CCOc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@H]21 15017803 RLKQCEGHUWDABO-YSSFQJQWSA-N 327.399 4.859 0 50 EJAA OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1Cc1ccccc1 23549911 AZOXPIPWRDWNBA-HSZRJFAPSA-N 343.470 4.587 0 50 EJAA Cc1cccc([C@@H]2CCCN(C(=O)c3cc4cccc(C)c4n3C)C2)c1 95376825 LPJQCTKXHXIZCD-HXUWFJFHSA-N 346.474 4.815 0 50 EJAA O=C(c1ccnc(-c2ccccc2-c2ccccc2)c1)N1CCCC1 96180380 ITNKNQAOZQGUOL-UHFFFAOYSA-N 328.415 4.652 0 50 EJAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cnc3ccccc3c2)c1 170626423 SQGMBPRESRIKLX-ZDUSSCGKSA-N 340.810 4.603 0 50 EJAA CCOc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 143326 QLRLSQABRJKOMQ-UHFFFAOYSA-N 339.420 4.853 0 50 EJAA Cc1ccc(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=N)cc1 178325 YBBRQBNEGMHXRA-NRFANRHFSA-N 340.426 4.760 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 4821355 PSAPAZYEQRVNIW-HRAATJIYSA-N 337.463 4.600 0 50 EJAA S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1CCc1ccccc1 4993701 MGUXEGAYNPLILD-UHFFFAOYSA-N 339.508 4.651 0 50 EJAA CCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1 34094196 OEURLNJEQCLGPS-UHFFFAOYSA-N 339.616 4.732 0 50 EJAA in-vitro C[C@H](c1ccco1)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65490408 JYRLPMLOOUYKEQ-CQSZACIVSA-N 334.375 4.505 0 50 EJAA COc1ccc2c(C(=O)Nc3cccc(C(F)(F)F)c3)ccnc2c1 96028546 JSWWTZGCYCKAEP-UHFFFAOYSA-N 346.308 4.515 0 50 EJAA CC1=C[C@@H](C)[C@@H](CNCCNC[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 239433391 XPPZSKFTXPXUHK-KINXCBNHSA-N 332.576 4.642 0 50 EJAA CC1=C[C@@H](C)[C@@H](CNCCNC[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 239433393 XPPZSKFTXPXUHK-RXGLGVBBSA-N 332.576 4.642 0 50 EJAA CCOc1c(CNc2nc3c(Cl)cccc3s2)cccc1OC 360437 GANRFHLBWCYTAC-UHFFFAOYSA-N 348.855 4.969 0 50 EJAA O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)o1 2823733 MGAILJXWXNIMOH-UHFFFAOYSA-N 342.192 4.961 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2Cl)c(C)c1 2835489 RWYRIPGKFAFYRK-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA Clc1ccccc1OCCN1CCC(Cc2ccccc2)CC1 2881460 CADSXVMDSDKRRH-UHFFFAOYSA-N 329.871 4.674 0 50 EJAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)n1cnc2ccccc21 3091320 FWZUPWTYPDPXKU-UHFFFAOYSA-N 339.704 4.789 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1 4991105 YXRNFJKLTRVOBW-UHFFFAOYSA-N 342.870 4.507 0 50 EJAA Cc1cc(C)c(OCCNC(=O)c2cccc3ccccc23)c(C)c1 5077928 RSWZFWRDSPACRL-UHFFFAOYSA-N 333.431 4.574 0 50 EJAA C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 33759811 GVIAXRUEUWNZTF-VOZBZGINSA-N 334.246 4.974 0 50 EJAA Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CCCO)c1Cl 65383335 IVCWKVBJNWETIX-UHFFFAOYSA-N 344.817 4.700 0 50 EJAA c1ccc(N2CC[C@H](CN[C@@H]3CC4(CCC4)Oc4ccccc43)C2)cc1 152549895 OWRMALKGEMKLKM-WIYYLYMNSA-N 348.490 4.549 0 50 EJAA c1ccc([C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)CC2)cc1 215410861 MOZVVQIKFOCBHN-GOSISDBHSA-N 341.524 4.513 0 50 EJAA CCc1ccc([C@@H]2CCCN2C(=O)Nc2ncc(C(C)C)s2)o1 331465490 AYCBNHXWSUJEMR-ZDUSSCGKSA-N 333.457 4.791 0 50 EJAA Cc1ccc(C2=NO[C@H](CN[C@@H]3CC(C)(C)c4ccccc43)C2)cc1C 1875328668 GDPATZJNLYGCLB-PGRDOPGGSA-N 348.490 4.809 0 50 EJAA COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 272451 OCHFCBGCIFLOOI-UHFFFAOYSA-N 343.732 4.549 0 50 EJAA CC1(C)COC(c2ccccc2[C@H](O)c2cc3ccccc3s2)=N1 335729 GPOAZUOQXKRAIZ-SFHVURJKSA-N 337.444 4.538 0 50 EJAA Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1 433890 VONPFISZZOBMOI-UHFFFAOYSA-N 330.431 4.836 0 50 EJAA CCCCSC[C@H](COC(C)C)OC(=O)c1ccc(Cl)cc1 2977917 VRMGWWHCHOPVHS-INIZCTEOSA-N 344.904 4.824 0 50 EJAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nc2ccccc2[nH]1 3833242 BCPPWLRDMJKZJD-CKEIUWERSA-N 346.496 4.659 0 50 EJAA C[C@H]1CN(CCCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 13153585 WCIOXRVBDMJIRY-IYBDPMFKSA-N 347.886 4.761 0 50 EJAA C[C@H](c1ccco1)N(C)C(=O)c1ccccc1NCc1cccs1 55226003 XWVPSTGWJRMJIO-CQSZACIVSA-N 340.448 4.786 0 50 EJAA Fc1cc(Cl)cc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 77376068 FYZOFHUHPKDUPN-KRWDZBQOSA-N 347.796 4.832 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)c1C 331677310 RVECKRDEDNMBBA-SUMWQHHRSA-N 340.471 4.707 0 50 EJAA Cc1cc(NC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1N 850780874 NZKFBXPQMRZESG-UHFFFAOYSA-N 337.467 4.897 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)[C@H](C)c2ccc(F)cc2F)c1C1CC1 1336228640 ONEPZEFKDWFJKP-VXGBXAGGSA-N 347.409 4.752 0 50 EJAA C[C@@H](Cc1ccc2c(c1)CCCC2)NCC[C@](C)(O)C1CCCCC1 2325842481 ZUYBBYXNPXEOAT-MBSDFSHPSA-N 343.555 4.807 0 50 EJAA O=C1C(Nc2ccccc2)=C[C@@H](c2ccc(F)cc2)N1c1ccccc1 122482 RCHOMWTUXBTZPF-NRFANRHFSA-N 344.389 4.910 0 50 EJAA Cc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)c(C)c1 608856 CEXQQPCUOYDLEW-UHFFFAOYSA-N 336.460 4.891 0 50 EJAA CC[C@@H](C)c1ccc(OCCOCCN2C[C@@H](C)C[C@@H](C)C2)cc1 4906836 SWQCGVOTNGYYTN-CEXWTWQISA-N 333.516 4.573 0 50 EJAA OC[C@@]1(CCc2ccccc2)CCCN(Cc2cc3ccccc3o2)C1 12076219 MMWDSHLFUDFQGF-HSZRJFAPSA-N 349.474 4.640 0 50 EJAA C[C@H](Nc1nc(Nc2ccc(F)cc2)nc(=S)[nH]1)c1ccccc1 13154160 IHDYLPVKPZSYMR-NSHDSACASA-N 341.415 4.590 0 50 EJAA CCc1nc(C)c([C@H](C)N(C)Cc2csc(C(C)(C)C)n2)s1 170639766 VJNHMBYHUPQFEZ-LBPRGKRZSA-N 337.558 4.961 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)CC(=O)C[C@H]32)C1 254905862 RAVPGOUPQFSNSA-IWQCLKLKSA-N 332.484 4.530 0 50 EJAA Oc1cc(Cl)ccc1-c1nc([C@H](c2ccccc2)C2CC2)no1 2325749747 AEXUEUNWSMKZDV-MRXNPFEDSA-N 326.783 4.638 0 50 EJAA COc1ccc(CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 453686 YVLACKDTUVEZHP-UHFFFAOYSA-N 331.843 4.927 0 50 EJAA O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccccc21 525739 MZXNHVLLBDQCOO-UHFFFAOYSA-N 327.383 4.718 0 50 EJAA O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3F)cc2o1 2988622 ISXXIYXBGHFTHD-UHFFFAOYSA-N 338.256 4.530 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc3oc4ccccc4c3c2)c1 5073109 SJXUBMDSTDDEOO-UHFFFAOYSA-N 331.371 4.912 0 50 EJAA COc1ccccc1OCCCCn1c(C2CC2)nc2ccccc21 13814798 DDWSGKGXDJNGKU-UHFFFAOYSA-N 336.435 4.782 0 50 EJAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1F 64984894 LQUARWFDTRVGNP-INIZCTEOSA-N 331.391 4.615 0 50 EJAA c1ccc(-c2cc(N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)c3ccccc3n2)cc1 71763892 SHYNJXCZIGDGLK-BRNYJPRKSA-N 342.442 4.515 0 50 EJAA CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2CC1(C)C 204655885 UWTINZMXUQCSGC-UHFFFAOYSA-N 340.261 4.521 0 50 EJAA O=C(O)[C@@H]1CCCc2sc(/C=C/c3ccc(Cl)s3)nc21 408516042 FVNALFMNRNHEBJ-VPIOIWJLSA-N 325.842 4.533 0 50 EJAA CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2ccno2)c1OC 823508236 XIVLIYIDSQEFRR-UHFFFAOYSA-N 347.370 4.686 0 50 EJAA COc1cccc2c(C)cc(-c3cc(OC(F)(F)F)ccc3O)nc12 1772706935 HVCOYYWDVWTJOW-UHFFFAOYSA-N 349.308 4.823 0 50 EJAA CC[C@@H](C(=O)Nc1cnccc1C(F)(F)F)c1cccc(Cl)c1 2325767690 AGFQFLDJWXBCBU-GFCCVEGCSA-N 342.748 4.886 0 50 EJAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)cn1 32547 HFLTUVXXRINURA-UHFFFAOYSA-N 344.842 4.800 0 50 EJAA Cc1cc(C)n(-c2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)n1 291884 RYTOJLYOAOIAMT-UHFFFAOYSA-N 342.402 4.738 0 50 EJAA O[C@@H](c1ccccc1)c1ccc2cccc(OCc3ccccc3)c2n1 5005616 QAFLFOQVMXAFAB-QHCPKHFHSA-N 341.410 4.896 0 50 EJAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 12001385 VDAPBQZURYOZHE-CQSZACIVSA-N 349.808 4.713 0 50 EJAA O=C(Nc1cccc2ccccc12)OC[C@H]1CCCN2CCCC[C@H]12 39408578 UJVSSKXGVRAIHG-YLJYHZDGSA-N 338.451 4.653 0 50 EJAA CC[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC1CCC(=O)CC1 55270212 GUMCMAPSUMTVEX-CQSZACIVSA-N 335.875 4.617 0 50 EJAA CCCCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C 239231170 VBMOEUZKBIQGME-ZILOHOTNSA-N 349.562 7.411 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)c1C 331677309 RVECKRDEDNMBBA-GUYCJALGSA-N 340.471 4.707 0 50 EJAA O=C(CCNc1cccc(Cl)c1)c1ccc(Br)cc1 2841933 WIJWWKRISWHQEW-UHFFFAOYSA-N 338.632 4.787 0 50 EJAA O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccccc1 3900321 QAXBJEHARAXYIA-UHFFFAOYSA-N 332.790 4.706 0 50 EJAA Cc1cc(C)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 10372126 JBXSZJSGKFTIFD-UHFFFAOYSA-N 336.479 4.850 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(C)cc(C)c2)no1 64984656 WQSGYMJGZSXKKV-SFHVURJKSA-N 327.428 4.613 0 50 EJAA COc1ccccc1[C@H](NCc1ncc(C)o1)c1ccccc1Cl 127995286 LXQZBZDAASXRPU-LJQANCHMSA-N 342.826 4.524 0 50 EJAA O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@H]1c1cccs1 253428030 GGANJLIMULZARN-QMMMGPOBSA-N 347.387 4.592 0 50 EJAA Cc1csc(SCc2ccc(OCc3cccnc3)cc2)n1 920241688 KFKRKUXANICBRM-UHFFFAOYSA-N 328.462 4.718 0 50 EJAA CC(C)c1ccc(C(C)C)c(S(=O)(=O)N(C)c2ccccc2)c1 1875356293 NVESZQPNKAWNLD-UHFFFAOYSA-N 331.481 4.759 0 50 EJAA O=C(c1ccc(C2CCC2)cc1)N1CC[C@@]2(CCc3ccccc32)C1 2325772218 AWPQCCVMWWGGAU-QHCPKHFHSA-N 331.459 4.684 0 50 EJAA CC(C)N(C(=O)CSc1nc2ccccc2s1)c1ccccc1 80870 YDCYXDWTNFTUKH-UHFFFAOYSA-N 342.489 4.830 0 50 EJAA CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1OCC 98390 RGQXKMNJEYMZGS-UHFFFAOYSA-N 336.391 4.554 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C(C)(C)C 471587 XRJAYJHXZVRAQK-HNNXBMFYSA-N 345.870 4.935 0 50 EJAA COc1ccc2c(c1)CCc1sc(Nc3ccccc3F)nc1-2 1178412 QRNDVHBFSPHSPC-UHFFFAOYSA-N 326.396 4.800 0 50 EJAA CCCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1 2886081 NUJQKZZMVVUGEI-UHFFFAOYSA-N 335.860 4.501 0 50 EJAA O=C(CSc1ccc2ccccc2n1)Nc1ccccc1Cl 5627359 JNPJVKFAOUMKOQ-UHFFFAOYSA-N 328.824 4.619 0 50 EJAA C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ncc(Br)cn1 242287980 YKABLIWXBDDNGD-SSDOTTSWSA-N 348.027 4.686 0 50 EJAA CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OCc1ccc(Cl)cc1 306145199 IBXGZPRXBKZDFT-HOTGVXAUSA-N 339.863 4.693 0 50 EJAA CC(=O)c1c(C)cc(C)c(CN[C@H](CC(F)(F)F)C(C)C)c1C 445877835 PUVNIKMYXNQSTL-MRXNPFEDSA-N 329.406 4.881 0 50 EJAA CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)CCC2=O)C(C)C 534644200 NEPVOGOLFKXJID-UHFFFAOYSA-N 335.447 4.742 0 50 EJAA NC(=O)Cc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 1875265030 ZAIDEVSYGQOQRQ-UHFFFAOYSA-N 338.410 4.597 0 50 EJAA O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC2(CCCC2)CC1 1875333558 BMYWELCJKKPXOP-UHFFFAOYSA-N 337.463 4.647 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCC1 2496924 UAKZBZZLUWWNJS-UHFFFAOYSA-N 344.282 4.991 0 50 EJAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3cccc(C)c3)c2C)cc1 13331372 VKWDMKDQAOCRLU-UHFFFAOYSA-N 348.450 4.809 0 50 EJAA CCc1nn2c(-c3ccc(OC)cc3)ccnc2c1-c1ccccc1 72115411 KYHVMRBXFGBWOZ-UHFFFAOYSA-N 329.403 4.634 0 50 EJAA CSc1ccc(NC(=O)N(C)[C@@H](C)c2nc(C)sc2C)cc1 72144544 XSBOGRAEWIFYEH-JTQLQIEISA-N 335.498 4.707 0 50 EJAA C[C@H](c1ccc(Cl)nc1)N1CC(c2nc3ccccc3s2)C1 2325771759 ODCXHEUBYMGMMJ-LLVKDONJSA-N 329.856 4.505 0 50 EJAA CC1=C(CCN2CCN(c3ccc(F)cc3)CC2)C(C)(C)CCC1 212290 BBFPTQSGZNNEEU-UHFFFAOYSA-N 330.491 4.864 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 451850 BBQCWDXAKGMOAI-SECBINFHSA-N 328.170 4.539 0 50 EJAA CC[C@H](C(=O)Nc1ccc(Br)cc1C)c1ccccc1 455904 GPCGTSSPNKQHIV-HNNXBMFYSA-N 332.241 4.890 0 50 EJAA COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 465599 AUXPMQAZOGNNKF-UHFFFAOYSA-N 345.192 4.540 0 50 EJAA biogenic CCCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C)c1CC 2101941 AWOFZPLLKRIFID-UHFFFAOYSA-N 337.485 4.705 0 50 EJAA c1ccc(CN2CCC(NC3CCC(c4ccccc4)CC3)CC2)cc1 2499220 ATKGJDNWJJXSJB-UHFFFAOYSA-N 348.534 4.967 0 50 EJAA Cc1ccc(OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1C 4542242 FCRFIDYBOYRFRO-UHFFFAOYSA-N 331.415 4.950 0 50 EJAA O=C(Nc1ccc(F)cc1)c1cc(-c2ccncc2)nc2ccccc12 5520692 FILOFTXLSBTKES-UHFFFAOYSA-N 343.361 4.688 0 50 EJAA CC[C@@H]1c2cccn2CCN1Cc1nc(-c2cccc(C)c2)oc1C 12004500 MHMMDCQSDWQJCB-LJQANCHMSA-N 335.451 4.727 0 50 EJAA Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nccn1-2 71770392 VOJZJYUSBGIYEC-UHFFFAOYSA-N 328.202 4.530 0 50 EJAA CC1=C[C@H](C)[C@H](CN(CCO)C[C@@H]2[C@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 244712675 KUFAUZJRIITNBN-DPJYLNSSSA-N 333.560 4.758 0 50 EJAA Clc1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 252511298 ZXDBNECMMGTHMO-UHFFFAOYSA-N 333.842 4.679 0 50 EJAA COc1ccccc1[C@H]1CC[C@@H](C)CN1c1nc2ccc(F)cc2o1 1458368391 CRZNZWRTTLAOPO-CXAGYDPISA-N 340.398 4.953 0 50 EJAA Cc1ccc(-c2nnc(SCC3([C@H]4CCCCO4)CC3)o2)c(C)c1 1875281115 PVKZZLHEJKWJFK-MRXNPFEDSA-N 344.480 4.795 0 50 EJAA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C(F)(F)F 77432 YOMOTSJDXGINLO-UHFFFAOYSA-N 340.688 4.649 0 50 EJAA Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cc2C)c(C)c1 143600 XQSILPBRMITZPJ-UHFFFAOYSA-N 338.451 4.668 0 50 EJAA CC(=O)N(Cc1ccccc1)[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 212618 ZVDADMDLIYGKQJ-OAQYLSRUSA-N 332.447 4.902 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1 342241 YNRXHYYVCXXEHC-VIFPVBQESA-N 328.170 4.539 0 50 EJAA CCn1ncc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 1000961 SFXZZXUCLVRQQA-NTEUORMPSA-N 347.418 4.656 0 50 EJAA CC(C)c1ccc(OCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 2828473 GZOAXXQPRIUDDO-UHFFFAOYSA-N 332.469 4.582 0 50 EJAA O=C(O)COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4028227 IUZPOFVYQIAPHI-ZOGSBNJCSA-N 342.435 4.507 0 50 EJAA biogenic Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1C 4955916 SIGDMDPKDYWZES-HOTGVXAUSA-N 334.246 4.829 0 50 EJAA CCOC(=O)[C@@H]1CCCc2sc(-c3c(F)cccc3Cl)nc21 316903246 PCLTYHWRNVJYML-SECBINFHSA-N 339.819 4.586 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 864045261 OOXPBOWBVPORGA-OAHLLOKOSA-N 332.375 4.553 0 50 EJAA Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc([C@]2(C)CC2(F)F)cc1 1875405430 GDVDDOMWSKWYEY-YJYMSZOUSA-N 347.380 4.922 0 50 EJAA CCCc1cc(=O)oc2cc(OCc3ccccc3Cl)ccc12 44646 FOOAZUIZBNXOFQ-UHFFFAOYSA-N 328.795 4.978 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1 176013 GNVWIEXAJSAZES-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 461915 LFSSBOXTNLWMOI-UHFFFAOYSA-N 332.403 4.687 0 50 EJAA COc1c(C)cccc1C(=O)Nc1nc2cc(Cl)c(C)cc2s1 468017 NVKCDWCJSQIJQA-UHFFFAOYSA-N 346.839 4.827 0 50 EJAA COc1ccc(C)cc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 474156 MJCJNNTYROTKFI-VMPITWQZSA-N 336.218 4.962 0 50 EJAA Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cccs1 476303 BPRHQNWGBPOKOP-UHFFFAOYSA-N 342.445 4.623 0 50 EJAA Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1F 609584 ZHSRXKJQOXLCDZ-UHFFFAOYSA-N 339.366 4.706 0 50 EJAA Cc1ccccc1NCc1cccc(OCC(=O)Nc2ccccc2)c1 610047 JYZQHXOAVBHUJY-UHFFFAOYSA-N 346.430 4.625 0 50 EJAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl 1384262 QLTZEGAQKWTXJX-UHFFFAOYSA-N 329.684 4.516 0 50 EJAA CCc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1 6662457 HYZMJIDJAVVHTN-UHFFFAOYSA-N 348.402 4.655 0 50 EJAA CCOc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCCCC3)cc1 15974044 VJBSUZOYYIXRIG-UHFFFAOYSA-N 333.455 4.557 0 50 EJAA COc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 16228326 RVMGYGJJSVKZMZ-GDNBJRDFSA-N 345.807 4.590 0 50 EJAA FC(F)(F)CCNC1CCN(c2cccc(-c3ccccc3)c2)CC1 23543949 RHCVYMANFFAJEO-UHFFFAOYSA-N 348.412 4.864 0 50 EJAA Cc1nc([C@@H](NCc2cccc3ccccc23)c2ccccc2F)no1 193152635 QHHZRZVLRMUJBO-FQEVSTJZSA-N 347.393 4.550 0 50 EJAA Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2cccc(F)c2)c1 225517303 KVTYPZPZNUAASV-LJQANCHMSA-N 348.377 4.719 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]4CCC[C@]4(C)CC[C@H]3[C@@]2(C)CC1=O 257345640 FASYXTMQFUGQBE-XHOBZQISSA-N 332.484 4.530 0 50 EJAA CCC(CC)n1ncc(C)c1NC(=O)N(C)[C@@H](CC)c1cccnc1 299765263 DJKLTEHCQBBBHM-KRWDZBQOSA-N 343.475 4.563 0 50 EJAA C[C@@H]1c2c(Br)cccc2CCN1c1ncccc1Cl 2325828750 QBRCCAYQICZNKJ-SNVBAGLBSA-N 337.648 4.621 0 50 EJAA CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2 107079 IVWWDZVJBBHMPU-UHFFFAOYSA-N 346.858 4.642 0 50 EJAA COc1ccc2oc(C)c(C(=O)c3ccc(Br)cc3)c2c1 293210 LXEHVDLDCBWXDA-UHFFFAOYSA-N 345.192 4.743 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3ccc(OC)cc3)ccc12 457471 LZRHTPGVOUKXTD-UHFFFAOYSA-N 338.403 4.642 0 50 EJAA biogenic CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1 463863 GTKARXAIDIXVND-SZGUKTLCSA-N 338.476 4.727 0 50 EJAA Cc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 1065003 VHYFIEGOFATPSA-UHFFFAOYSA-N 329.443 4.710 0 50 EJAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccncc2)nc2ccccc12 1460360 RPXVZWKOTCPEBI-HZPDHXFCSA-N 345.446 4.700 0 50 EJAA CCC(NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 2870611 BWTPBMKSFWFTSW-UHFFFAOYSA-N 348.674 4.735 0 50 EJAA COc1ccc(C(C)=O)cc1CSc1nc2cc(C)c(C)cc2[nH]1 4985908 OKKRHZPQOLAFSG-UHFFFAOYSA-N 340.448 4.683 0 50 EJAA O=C(O)c1ccc2ccccc2c1C(=O)c1ccc2ccccc2c1 45068529 LQXKPCULMVJMBI-UHFFFAOYSA-N 326.351 4.922 0 50 EJAA CCCOc1ccc(NC(=O)N[C@H](CC)c2cccnc2)cc1Cl 96148491 YIMILWRCKHPRNE-MRXNPFEDSA-N 347.846 4.797 0 50 EJAA C[C@@H]1C[C@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 170620587 KXRCRNJZKXINSK-IAGOWNOFSA-N 335.532 4.789 0 50 EJAA CC(C)(C)c1cc2c(O)nc([C@H]3CCCC(F)(F)C3)nc2s1 253536363 XQSASOVFQBGIPS-VIFPVBQESA-N 326.412 4.987 0 50 EJAA COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1cccs1)N2 35079 RXFUIFJLKCASDT-DLBZAZTESA-N 331.437 4.554 0 50 EJAA Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 45583 CXIMXTHSYGUTQJ-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA COc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 304184 QEAXKUZLELFGNF-UHFFFAOYSA-N 342.782 4.564 0 50 EJAA CCCN1CCn2c3c(c4cc(Br)ccc42)CCC[C@H]31 448437 IRNXDKZUAGPSIT-MRXNPFEDSA-N 333.273 4.507 0 50 EJAA biogenic Cc1cccc(OC(=O)c2cccc(C(=O)Oc3cccc(C)c3)c2)c1 453928 PTZZYDVLRWPZNJ-UHFFFAOYSA-N 346.382 4.742 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3)ccc12 454784 UVEMMMGUHPOPEG-UHFFFAOYSA-N 326.367 4.772 0 50 EJAA CCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 474785 GYQVTYGJOCCXNJ-UHFFFAOYSA-N 345.229 4.958 0 50 EJAA CCOC(=O)N1CC(c2ccc3ccccc3n2)=Cc2ccccc21 3894383 IUJFJJXCFIIOQZ-UHFFFAOYSA-N 330.387 4.752 0 50 EJAA CC(C)COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 4868859 OEVFNIBFTYEZMN-UHFFFAOYSA-N 335.350 4.575 0 50 EJAA CCOc1ccc(NC(=O)c2ccccc2Cl)c2cccnc12 15840737 AKZJEPMIUXWSBS-UHFFFAOYSA-N 326.783 4.539 0 50 EJAA CC(=O)N[C@H]1C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)O[C@@H](C(C)C)C1 65403486 LONMEPHAVCXQCX-PTUXOGIPSA-N 349.474 4.639 0 50 EJAA Clc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100701055 VIOLGXYHWSZXFD-MRXNPFEDSA-N 343.217 4.641 0 50 EJAA Cc1cc(Cl)cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 125304391 OYZKNLDFLNIFCB-UHFFFAOYSA-N 339.826 4.703 0 50 EJAA CC(=O)OCC[C@@H](C)CC/C=C(\C)COCOCC[Si](C)(C)C 169831768 GYTRRLQPUIVHHN-UWNXQOIWSA-N 344.568 4.631 0 50 EJAA Cc1ccc(C)c(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 244724590 MWYKJAWYUDYBMH-FGZHOGPDSA-N 326.528 4.532 0 50 EJAA O=C(c1ccc2cnccc2c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 451684750 VZZKUOIQWYWRMP-BHDDXSALSA-N 342.442 4.643 0 50 EJAA C[C@H](NCc1cccc(O)c1Cl)c1ccccc1C(F)(F)F 815119872 IZGWQVZUNGLUMS-JTQLQIEISA-N 329.749 4.915 0 50 EJAA O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1 116687 GDIZKEDKSJWBFG-UHFFFAOYSA-N 340.473 4.545 0 50 EJAA O=C(NCc1ccccc1C(F)(F)F)Nc1cccc(Cl)c1 2761547 LQXVSXBSKDOJCR-UHFFFAOYSA-N 328.721 4.681 0 50 EJAA Cc1ccc(Nc2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1 4706686 VBQCYXNJHYCZRH-UHFFFAOYSA-N 342.395 4.628 0 50 EJAA Cc1cc([C@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)on1 97772717 OELRLAVTYPFZHK-MRXNPFEDSA-N 327.815 4.522 0 50 EJAA NCCCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 237964972 FNNDXSUYYMEDHR-UHFFFAOYSA-N 332.831 4.590 0 50 EJAA C[C@@H]1[C@@H](C(=O)Nc2cccc(Oc3ccncc3)c2)[C@@H]1c1ccccc1 430556553 UUMUHABJPQAEHW-ONGXBYRLSA-N 344.414 4.862 0 50 EJAA CC(C)Cc1ccccc1C(=O)N1CCC[C@@H](CC(F)(F)F)C1 857541400 BXEKQRUHKOBXFY-AWEZNQCLSA-N 327.390 4.690 0 50 EJAA Fc1cccc(-n2nc(-c3cccs3)nc2C2[C@@H]3CCC[C@@H]23)c1 1875348737 AKLCPHJRACMXIJ-ZIAGYGMSSA-N 325.412 4.648 0 50 EJAA CCCCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21 5017091 RUQJIWRFEDZJLD-UHFFFAOYSA-N 325.408 4.520 0 50 EJAA Cc1ccc([C@@H](C)CCN2CCN(c3cccc(Cl)c3)CC2)o1 5031923 SALXXAYWFIHUAL-HNNXBMFYSA-N 332.875 4.557 0 50 EJAA CCCc1cc(=O)oc2cc(C)cc(OCc3c(F)cccc3F)c12 5060264 JOWBPDNRKMUYQD-UHFFFAOYSA-N 344.357 4.911 0 50 EJAA Clc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 6672088 VBAZCHPEWYPTAJ-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA CSc1cccc(CNCc2c[nH]nc2-c2ccc(C)c(C)c2)c1 12305478 VZDHHUFIAPCAMS-UHFFFAOYSA-N 337.492 4.705 0 50 EJAA Cc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 23542415 WFFVSCGLAHYOGX-UHFFFAOYSA-N 344.393 4.503 0 50 EJAA COc1cccc2c(C)cc(NCCc3ccccc3Cl)nc12 23634809 XXBNMZNWDUNGQD-UHFFFAOYSA-N 326.827 4.860 0 50 EJAA O=C(O)C[C@H](NCc1ccc2ccccc2c1)c1cccc(Cl)c1 426812442 QLBVWRUMAYNZRX-IBGZPJMESA-N 339.822 4.799 0 50 EJAA Cc1nc(C(=O)Nc2cc(Cl)ccn2)c(-c2ccc(F)cc2)s1 888103854 DWKPHUOONNBDBG-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1nc(-c2ccccc2)cs1 1293872504 AAGUMAGFSDKEMA-QGPMSJSTSA-N 340.492 4.532 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccccc2C)cc1 66639 DJWOFINARPPNPH-UHFFFAOYSA-N 345.398 4.775 0 50 EJAA Cc1cc(C)n(C(=O)c2sc3cc(Cl)ccc3c2Cl)n1 314452 JOMYXQCSRSHWDA-UHFFFAOYSA-N 325.220 4.710 0 50 EJAA COc1cccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 472536 LVGRXBHDUXKIQX-UHFFFAOYSA-N 327.767 4.861 0 50 EJAA CCCn1c(NCc2ccc(Br)cc2)nc2ccccc21 617905 AUZWXUKOWWAJJE-UHFFFAOYSA-N 344.256 4.821 0 50 EJAA COc1ccc(NC(=O)Nc2ccc(SC(F)(F)F)cc2)cc1 786562 NPNUABJSCZITJS-UHFFFAOYSA-N 342.342 4.951 0 50 EJAA CSc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 1059125 RLMPEKIFRCWAGW-UHFFFAOYSA-N 326.248 4.645 0 50 EJAA Fc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1 3894506 QQYYVOLCOCEIEA-UHFFFAOYSA-N 337.276 4.507 0 50 EJAA O=C(Nc1nccs1)c1ccccc1SCc1ccccc1 4850935 KDQBUBCEWPYMBP-UHFFFAOYSA-N 326.446 4.688 0 50 EJAA CCOc1cc(CO)cc(Cl)c1OCc1cccc2ccccc12 4903782 LYWRJNGRQQHBDM-UHFFFAOYSA-N 342.822 4.963 0 50 EJAA CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 12404239 NONGMZSCMZDCRP-UHFFFAOYSA-N 345.402 4.607 0 50 EJAA Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)cc1 12650511 CTBINQJVBZMRHK-UHFFFAOYSA-N 342.489 4.687 0 50 EJAA CC[C@@H](O)Cn1ccc(-c2cccc(-c3ccc4ccccc4n3)c2)n1 23428788 SBPBRYIOWHNDNA-LJQANCHMSA-N 343.430 4.536 0 50 EJAA O=C(N(Cc1ccccc1Cl)C1CC1)C1(c2ccc(F)cc2)CC1 91270120 RKNSTHPCKSNWOM-UHFFFAOYSA-N 343.829 4.702 0 50 EJAA CC(C)(C)OC(=O)n1cc([C@@H](O)c2cccs2)c2ccccc21 95218079 TURJSXLXTAJRCP-MRXNPFEDSA-N 329.421 4.568 0 50 EJAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 239339208 LVOWNOMWHJFPAW-GBIKHYSHSA-N 348.796 5.305 0 50 EJAA Cc1ccc(Nc2ccnc(N3CCC(c4ccccc4)CC3)n2)cc1 1775996618 AOJNXKWLCAVNQT-UHFFFAOYSA-N 344.462 4.913 0 50 EJAA Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 150808 BFJLFLPJDRHTKJ-HNNXBMFYSA-N 331.843 4.980 0 50 EJAA COc1ccccc1-c1cc(-c2ccccc2)nc(N2CCCCC2)n1 196672 PQQLLRKEAXQCHC-UHFFFAOYSA-N 345.446 4.810 0 50 EJAA O=C(Nc1c(F)c(F)c(F)c(F)c1F)C12CC3CC(CC(C3)C1)C2 2951362 RTHDIJQPZOWDCT-UHFFFAOYSA-N 345.311 4.537 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 238900757 JSSBVGZWZPTGCP-TUIFDTLZSA-N 349.908 4.742 0 50 EJAA CC(C)[C@@H](NC1CCC(C(=O)O)CC1)c1ccc(C(C)(C)C)cc1 263490478 QYWGEAQESOFCML-NKELODKYSA-N 331.500 4.914 0 50 EJAA Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)C(C)(C)C 952873735 ZKBSMRBHUXMPHC-JLHYYAGUSA-N 336.435 4.632 0 50 EJAA COc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1Cl 452532 NVGQSIRVONCUEC-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1 1393122 YHAZXAGTJFKXOG-UHFFFAOYSA-N 337.322 4.769 0 50 EJAA Cc1cc(C)cc(OCc2nc(-c3cc(C)nc4ccccc34)no2)c1 1423802 NYSKDLZQTBYGEE-UHFFFAOYSA-N 345.402 4.789 0 50 EJAA CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1773587 CYSYYYOAAXJDFU-UHFFFAOYSA-N 333.815 4.536 0 50 EJAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)cc1 2786790 ZRPVXZFJFVKEDW-UHFFFAOYSA-N 325.721 4.685 0 50 EJAA CCCN(Cc1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 6791039 FPMWCYHQVIRCFE-UHFFFAOYSA-N 326.824 4.985 0 50 EJAA aggregator O=Cc1ccc(OCCOc2ccc(OCc3ccccc3)cc2)cc1 8730014 BOWAXMHWUNJGLB-UHFFFAOYSA-N 348.398 4.536 0 50 EJAA Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nn1 65363330 RWJFPKSNXMYZEJ-UHFFFAOYSA-N 347.422 4.789 0 50 EJAA Cc1nnc(CN[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1 183733113 RVMDWQIFNWVPPN-KRWDZBQOSA-N 348.233 4.564 0 50 EJAA Cc1nc([C@H](C)N(C)Cc2c(Cl)cncc2Cl)c(C)s1 952980062 FCXGRWFPHPCZCJ-QMMMGPOBSA-N 330.284 4.655 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)o1 362857 GJSZNMIBJGJSCJ-UHFFFAOYSA-N 334.984 4.601 0 50 EJAA Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 561769 ZBHSUKIMDMXXIP-UHFFFAOYSA-N 347.256 4.702 0 50 EJAA COc1ccc(C(C)(C)C)cc1NC(=S)NCCc1ccccc1 610690 UZPCCBXSFPUYQA-UHFFFAOYSA-N 342.508 4.522 0 50 EJAA CCc1ccc(Nc2nnc(-c3cc4ccccc4oc3=O)s2)cc1 859427 PYOXEXWJBAZQCP-UHFFFAOYSA-N 349.415 4.618 0 50 EJAA O=C1S/C(=C\C=C\c2ccco2)C(=O)N1CCCc1ccccc1 1125958 GBKCCJCNOXAUPP-RIALVHNWSA-N 339.416 4.505 0 50 EJAA O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1Cc1ccccc1 1263073 QMJIEMBQOIWVBB-GDNBJRDFSA-N 329.808 4.577 0 50 EJAA COc1ccccc1OCCCOc1cc(Cl)ccc1Cl 2985399 UZQSCEJNMOPUMH-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA O=C(Nc1cccc2c1CCCC2)N1CCOc2ccc(Cl)cc21 6842975 XFUXCPOEDUMKOC-UHFFFAOYSA-N 342.826 4.650 0 50 EJAA Cc1ccsc1-c1nn2c(-c3ccccc3Cl)nnc2s1 12391077 DCLUEINTRBBUBK-UHFFFAOYSA-N 332.841 4.543 0 50 EJAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 13331681 ILTYMYJDLPDONA-UHFFFAOYSA-N 348.450 4.809 0 50 EJAA O=C(c1ccc2ncsc2c1)N1CCCC[C@H]1c1cccc(F)c1 77287513 NNOYZJKRKXANAV-KRWDZBQOSA-N 340.423 4.803 0 50 EJAA c1ccc(-c2cc(CNc3cccc(-c4nccs4)c3)n[nH]2)cc1 120787459 KGJVAYVDJINQOA-UHFFFAOYSA-N 332.432 4.812 0 50 EJAA C[C@H]1C[C@H](C)N(C(=O)c2cc(-c3ccccc3Cl)on2)[C@H](C)C1 239402662 QXIMEZAZZVAQHP-XYYAHUGASA-N 332.831 4.644 0 50 EJAA C[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(C(F)F)nc1 850450985 PQKVRSDGROSUAS-LBPRGKRZSA-N 335.373 4.932 0 50 EJAA CCC[C@@H](NC(=O)/C=C/c1nc(C)cs1)c1ccc(Cl)cc1 1875264279 BZMCLBOUZDMCNF-BOLDSZDNSA-N 334.872 4.776 0 50 EJAA Cc1cc(C)c2c(n1)CCC[C@@H]2NCc1cnc2c(F)cccc2c1 2325783536 FAYFDZYQKOIFSK-SFHVURJKSA-N 335.426 4.553 0 50 EJAA CCc1cccc2cc(CN(CCc3ccccc3)[C@@H]3CCOC3)oc12 2325870376 VKYZWYCYSVYXOM-OAQYLSRUSA-N 349.474 4.829 0 50 EJAA O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 385230 JHPOWEKNNICRTQ-UHFFFAOYSA-N 333.231 4.977 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 440485 PEOFXDVFEYOGNR-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA O[C@@H](COC[C@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21 3121246 JCAQBGZQFFLPRA-ZWKOTPCHSA-N 335.447 4.528 0 50 EJAA CCN(CC)CCSc1ccccc1NC(=O)Nc1ccccc1 96028061 MYATVPPXJSQZHP-UHFFFAOYSA-N 343.496 4.765 0 50 EJAA Cc1csc(-c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)n1 170603952 SBZGYKAHIRVEGI-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA C[C@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc2ccccc2c1 253536940 RHVMAPJRCSBHQX-AWEZNQCLSA-N 342.398 4.585 0 50 EJAA Cc1nc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cs1 272372080 HVFHCFHECAQFDK-CYBMUJFWSA-N 338.480 4.824 0 50 EJAA COc1cccc(OC)c1C(=O)Nc1cc(Cl)c(C)cc1Cl 461025876 RJYUINDJHMEHIY-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA CC(C)(C)SCc1nnc2sc(-c3cc4ccccc4o3)nn12 1772491170 MUNCELMIGJMANT-UHFFFAOYSA-N 344.465 4.631 0 50 EJAA CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 302439 LSUZLCWJBWGXKW-FMIVXFBMSA-N 335.325 4.756 0 50 EJAA COc1ccc([C@H](C)NC(=S)Nc2cccc3ccccc23)cc1 621512 YMGZXKVEJZDZKA-AWEZNQCLSA-N 336.460 4.896 0 50 EJAA CCCOc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C 2842323 ONYNAIARXVJBQI-UHFFFAOYSA-N 336.391 4.691 0 50 EJAA C[C@H]1Cc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 3178152 PJTGLURIKMIAMP-KRWDZBQOSA-N 327.427 4.796 0 50 EJAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1Cl 6698719 RBQIWTYBWREVRD-UHFFFAOYSA-N 346.833 4.717 0 50 EJAA Cc1cccc(-n2c(S)nnc2-c2csc3c2CC[C@@H](C)C3)c1 6755860 OSGAERKXSJKULQ-GFCCVEGCSA-N 341.505 4.718 0 50 EJAA Cc1cn[nH]c1[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1 12242435 YGXZXCJXRORJAI-NRFANRHFSA-N 345.490 4.730 0 50 EJAA Cc1cc(NC(=O)N2CCC[C@H]2c2ccco2)ccc1Br 15837994 DJFGWRZUEARNLE-AWEZNQCLSA-N 349.228 4.720 0 50 EJAA O=C(c1c[nH]nc1-c1ccccc1)N1CCCC[C@@H]1c1cccc(F)c1 77288193 QWWBGWXTQQWNBC-LJQANCHMSA-N 349.409 4.583 0 50 EJAA Brc1cccc(Br)c1OCc1ccccc1 115351694 FYTQDADUVFGKHG-UHFFFAOYSA-N 342.030 4.791 0 50 EJAA Cc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c(C)n1 119337970 SPRBOWZSQOVYHL-UHFFFAOYSA-N 341.411 4.522 0 50 EJAA C[C@@H](CNCCCCCCC(=O)O)Cc1ccc(C(C)(C)C)cc1 170612895 UDOCDQVWNHUEQW-QGZVFWFLSA-N 333.516 4.787 0 50 EJAA COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H](OC(C)=O)CC[C@@]21C 216223899 NTOWCXZNUSRHKI-PANSWXSWSA-N 342.479 4.873 0 50 EJAA O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 239425964 VNZBMYOFBVVHJR-KANUSWJPSA-N 337.394 4.820 0 50 EJAA CC(C)[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253607817 HSPBAJZIILLPKZ-WZPGBXLZSA-N 330.512 4.761 0 50 EJAA CC(C)[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1cccnc1 299797150 PAMVCKYBWYFTBE-SFHVURJKSA-N 342.870 4.670 0 50 EJAA Cc1[nH]nc(C2CC2)c1-c1ccccc1C(=O)N(C(C)C)C(C)C 426701446 PHYJHFNLQBEBDU-UHFFFAOYSA-N 325.456 4.522 0 50 EJAA O=C(Nc1cncc2ccccc12)[C@H]1CCCc2ccc(Cl)cc21 1875337219 QTESWALCLGKUKC-KRWDZBQOSA-N 336.822 4.947 0 50 EJAA CCc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 116542 ONIFPLYTSKCNQY-UHFFFAOYSA-N 331.415 4.934 0 50 EJAA O=C(O)Cc1sc(Nc2ccccc2Cl)nc1-c1ccccc1 253259 AYHJILIKAKUUNP-UHFFFAOYSA-N 344.823 4.834 0 50 EJAA CCC(=O)c1ccc(OC(=O)c2ccc(C)c(Br)c2)cc1 357382 SCVMFQVWNVOZMT-UHFFFAOYSA-N 347.208 4.569 0 50 EJAA Brc1ccccc1CCc1ccccc1Br 360960 CVGGCYQDKJYOCA-UHFFFAOYSA-N 340.058 4.997 0 50 EJAA Cc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C 1665658 HQQKWRPQQKVXRB-UHFFFAOYSA-N 326.528 4.699 0 50 EJAA CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccccc1Cl 13709862 YJSRVWZMKWLJDN-ZDUSSCGKSA-N 331.843 4.871 0 50 EJAA O=C(O)c1cc(N=Nc2ccc(-c3ccc(O)cc3)cc2)ccc1O 17147795 AUJMZPGZDYABQC-UHFFFAOYSA-N 334.331 4.878 0 50 EJAA Cc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc(C(C)C)n1 97492466 MUUNMPXEYGFLQW-UHFFFAOYSA-N 339.483 4.834 0 50 EJAA CC(C)(O)c1ccc(CNCc2ccccc2OC2CCCC2)cc1 187506482 IGSLFLHYOATZIQ-UHFFFAOYSA-N 339.479 4.525 0 50 EJAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 230229289 NRKWLAGZGDONED-ASNMPOLFSA-N 347.396 4.532 0 50 EJAA O=C1C[C@@H](c2ccccc2)CCc2sc(Br)cc2N1 291804 KCEFDBWUOXNUPM-NSHDSACASA-N 336.254 4.569 0 50 EJAA Cc1cc(=O)oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12 407123 YVPPHPPXHOKIKN-UHFFFAOYSA-N 335.186 4.987 0 50 EJAA COc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 514333 VJDVWBKSCFPIJI-MRXNPFEDSA-N 347.414 4.768 0 50 EJAA CCn1ccc(-c2cccc(-c3nc(C(F)(F)F)nc(C)c3C)c2)n1 19866782 WJKWZHIEVYNMJS-UHFFFAOYSA-N 346.356 4.663 0 50 EJAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1ccc(F)cc1 36621183 XESJTFRFWNTODR-MRXNPFEDSA-N 336.769 4.987 0 50 EJAA CCCn1ccc(CNC(=O)c2ccc(Cl)cc2SCC)c1 170614362 WYAVDZVNPZVLSA-UHFFFAOYSA-N 336.888 4.594 0 50 EJAA Cc1ccc(CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)s1 218952548 XBGPLAJUSJCQRE-UHFFFAOYSA-N 348.471 4.507 0 50 EJAA Cc1cc(F)c(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1F 2325824164 RMNQFEQSSDCBIW-UHFFFAOYSA-N 337.782 4.611 0 50 EJAA CC(C)(C)c1cc(C(=O)O)nn1-c1c(Cl)cc(Cl)cc1Cl 115229 IXDFRPHHIPAFDD-UHFFFAOYSA-N 347.629 4.828 0 50 EJAA O=C(Nc1cccnc1)c1cc(-c2ccccc2)nc2ccccc12 283708 DMOOPUYRZLYVNK-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA O=C(Nc1ccc(Br)cn1)Nc1cccc2ccccc12 357698 MXXDIJCCKRSFDK-UHFFFAOYSA-N 342.196 4.641 0 50 EJAA CCCCOc1ccc(OC(=O)Nc2cccc(C(C)=O)c2)cc1 1741666 CDVYVSRCDDOMFI-UHFFFAOYSA-N 327.380 4.679 0 50 EJAA O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccccc2O)on1 3908568 FTYZVCCPTVZWEP-UHFFFAOYSA-N 349.173 4.606 0 50 EJAA CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)O)cc2)cc1 4525765 YWEDJRWWLOEFCP-UHFFFAOYSA-N 341.407 4.580 0 50 EJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)c1 12595604 TWZOVAGQDZFMPP-ZDUSSCGKSA-N 342.464 4.913 0 50 EJAA Cl/C(=C\c1ccccc1)CN1CCN(c2ccccc2Cl)CC1 19634192 CABYLOJWCLWQIT-VKAVYKQESA-N 347.289 4.742 0 50 EJAA CCc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)o1 19939378 BQARBPFQXDPZGI-GOSISDBHSA-N 349.478 4.920 0 50 EJAA Cc1nn(C2CCCC2)c2[nH]c(-c3ccc([C@@H]4CCCCO4)o3)nc12 65387813 GYXAOIDLDUFBPA-AWEZNQCLSA-N 340.427 4.685 0 50 EJAA FC1(F)CCN(c2cccc(Br)c2C(F)(F)F)CC1 169725657 KUAWCOUOHWQIBW-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA COc1c(CN[C@H](C)c2ccc(C(F)F)nc2)oc2ccccc12 657986860 QHEHMZHOHNNRSH-LLVKDONJSA-N 332.350 4.625 0 50 EJAA C[C@@H]1C[C@H]1c1ccc(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)o1 1875305245 NQBVAOFPTQVYFJ-JOCBIADPSA-N 339.435 4.523 0 50 EJAA CC(C)(C)NC[C@H](O)COc1ccc(C2CCCCC2)cc1Cl 155479 CCKJRHONEDLPNK-INIZCTEOSA-N 339.907 4.516 0 50 EJAA CCOc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1 424862 SNJSONUNMKYGAM-UHFFFAOYSA-N 349.411 4.982 0 50 EJAA Cc1ccc(NC(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1 445416 IPNGIZONIUDVBJ-UHFFFAOYSA-N 333.362 4.617 0 50 EJAA CCOc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 467022 GFDSJVLRRBKLLE-UHFFFAOYSA-N 345.196 4.565 0 50 EJAA CC[C@@](O)(c1ccc(OC)cc1)[C@@H](c1ccccc1)c1ccccn1 1608996 AAIGFEFEYXEACA-FCHUYYIVSA-N 333.431 4.520 0 50 EJAA biogenic,in-vitro Cc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 4672456 NNBFWPPRHCNGGU-NRFANRHFSA-N 327.427 4.940 0 50 EJAA c1ccc(C2=Nc3cc4ccccc4cc3C(c3cccnc3)=NN2)cc1 4811144 MSSMUJJZCAIKJE-UHFFFAOYSA-N 348.409 4.669 0 50 EJAA C/C=C/c1ccc(OCCCCN2C[C@@H](C)C[C@H](C)C2)c(OC)c1 4914984 XJPDXOUEONEOAM-ZGCXVMDJSA-N 331.500 4.865 0 50 EJAA O=C(NCCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 13320420 ZLOKHQNZBUIPKM-UHFFFAOYSA-N 342.748 4.723 0 50 EJAA Cc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)s1 77505658 MWIXYHGSAHTFJB-UHFFFAOYSA-N 338.432 4.516 0 50 EJAA O=C(c1cnc(-c2ccsc2)s1)N1CCc2c(Cl)cccc21 157500678 UNVCFJHYUHSYIV-UHFFFAOYSA-N 346.864 4.728 0 50 EJAA CC1=CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 426511756 SBCOBYSOHWBDNH-UHFFFAOYSA-N 346.405 4.833 0 50 EJAA C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1cccnc1 1321367115 YNJBEDZJOSIMKL-HNNXBMFYSA-N 326.403 4.865 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(F)cc(F)c1 256983 DWSIHZJVANZQQZ-UHFFFAOYSA-N 349.720 4.801 0 50 EJAA C/C(=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)N(C)C 285545 OIPUCOLPHMVUOD-WJDWOHSUSA-N 347.245 4.964 0 50 EJAA O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2ccccc2c1 459637 SPOAENBJHLWFJV-UHFFFAOYSA-N 331.293 4.991 0 50 EJAA COc1cc(OC)c(NC(=O)c2csc3ccccc23)cc1Cl 1056083 JZNRRVPBJIKAHE-UHFFFAOYSA-N 347.823 4.824 0 50 EJAA O=C(NCCSCc1ccco1)c1ccc(-c2ccccc2)cc1 2842896 DXTJFWUSKLYVPQ-UHFFFAOYSA-N 337.444 4.610 0 50 EJAA Cc1cc(C)cc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1 3893661 KOSSOAAZVLVWJS-IBGZPJMESA-N 344.458 4.884 0 50 EJAA Clc1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1 6709430 BWZOAUPGLKFBLX-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA CCc1ccc(CN[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)cc1 11879999 PCNOLOYBJADENA-INIZCTEOSA-N 349.478 4.603 0 50 EJAA O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccc(F)c(Cl)c1 13325216 ZLVGGCFNWFSVGA-UHFFFAOYSA-N 347.821 4.719 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@@H]1/C=C/c1cccs1 364147567 DDWJQLRYZGZNDX-MYSGNRETSA-N 343.452 4.632 0 50 EJAA CC(C)c1ccc(-c2csc(NC(=O)C[C@H]3CCCOC3)n2)cc1 1529100399 RDKYLDLTTANFLX-CQSZACIVSA-N 344.480 4.689 0 50 EJAA COc1ccc(-c2cc(OC(F)(F)F)ccc2O)c2cccnc12 1772711587 ZRIGZHXFYHTBQA-UHFFFAOYSA-N 335.281 4.515 0 50 EJAA CC(C)(C)[C@H](CCc1cccc(F)c1)N[C@H]1C[C@@H](N)c2ccccc21 1875344045 CJCCICWRMOKUOB-HKBOAZHASA-N 340.486 4.907 0 50 EJAA ClC1(Cl)C[C@@H]1Cn1c(Cc2ccccc2)nc2ccccc21 352642 QHWVATVYWWHPBN-CQSZACIVSA-N 331.246 4.821 0 50 EJAA Cc1ccc(N2C(=O)C[C@H](Sc3ccc4ccccc4c3)C2=O)cc1 443651 BSLKWSFROGOENL-IBGZPJMESA-N 347.439 4.572 0 50 EJAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2cccnc12 556403 FTKJOIIJFMWSDX-UHFFFAOYSA-N 347.201 4.803 0 50 EJAA O=C(O)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 4999083 LLEPTGSHAUWPKK-UHFFFAOYSA-N 341.219 4.501 0 50 EJAA CSc1ccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 16972136 RZGPTDYBDHMGOG-QGZVFWFLSA-N 338.501 4.696 0 50 EJAA Nc1nc(-c2ccc(Oc3ccc(Br)cc3)cc2)cs1 43573889 LYFVJMANAGXNHS-UHFFFAOYSA-N 347.237 4.947 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 64984992 SGRPYAWFSOOART-KRWDZBQOSA-N 343.427 4.566 0 50 EJAA CCCc1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1CC2 71770680 YWUKWMSDEZJCQR-NNWRFLSQSA-N 344.495 4.831 0 50 EJAA Clc1cccc(OCc2csc([C@H]3CCCO3)n2)c1Cl 124512569 IBOHFTLSFUBXPZ-GFCCVEGCSA-N 330.236 4.880 0 50 EJAA O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C(F)F)c1 171552691 NPGHNSJQIBURIY-QZTJIDSGSA-N 345.389 4.522 0 50 EJAA CCOc1cc(N[C@H](C)c2ccc(Br)nc2)ccc1C 810234576 FUUDYTUZBAPZLK-GFCCVEGCSA-N 335.245 4.724 0 50 EJAA C[C@H]1CN(Cc2cnc(O)c3ccccc23)CC[C@@H]1c1ccccc1 1167500120 RSZHDZZECXVGFL-LPHOPBHVSA-N 332.447 4.566 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)o1 1875258918 OAGVBTMPQNWZQU-HUBZJTMSSA-N 325.408 4.681 0 50 EJAA O=C(N[C@H]1CCC[C@@H](C(=O)O)CC1)c1csc(C2CCCCC2)c1 1875324144 JEAIWAJFNOGRQP-ZBFHGGJFSA-N 349.496 4.559 0 50 EJAA Cc1ccc(C)c([C@@H](C(=O)Oc2ccc3cncnc3c2)C(C)C)c1 1875345897 MDTVWZJVFPFCTM-FQEVSTJZSA-N 334.419 4.592 0 50 EJAA Cc1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12 244978 OTFPTSBPSOVAFV-UHFFFAOYSA-N 332.384 4.631 0 50 EJAA COc1cccc(Nc2nc(-c3cccc(NC(C)=O)c3)cs2)c1 321945 BLPKPZYPNLJPTA-UHFFFAOYSA-N 339.420 4.521 0 50 EJAA C[C@H](Sc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 2983034 OWBWUKKMXQXIMA-NSHDSACASA-N 340.275 4.790 0 50 EJAA Fc1ccc(-n2ncc3c(C(F)F)cc(-c4ccco4)nc32)cc1 20603113 ABVKYRPQALRNLW-UHFFFAOYSA-N 329.281 4.757 0 50 EJAA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccccc1-c1ccco1 215298580 KVYWKXMZZZJVJN-FQEVSTJZSA-N 349.478 4.896 0 50 EJAA CCOC(=O)c1c(-c2ccc(Cc3ccccc3)cc2)csc1N 87319 YOSVOBKZGCNEMZ-UHFFFAOYSA-N 337.444 4.765 0 50 EJAA in-vitro CSc1nc2sc3c(c2c2nnc(C)n12)CC[C@H](C(C)(C)C)C3 118001 RNWLYPCFSGDYNA-JTQLQIEISA-N 346.525 4.520 0 50 EJAA CC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c1 133559 WHHKYUQNKCMFNO-UHFFFAOYSA-N 339.435 4.513 0 50 EJAA O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1 148149 RDGJITAVUBVFLP-UHFFFAOYSA-N 342.350 4.679 0 50 EJAA CC(=O)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 281296 FOSVQIYWQPUYCM-UHFFFAOYSA-N 329.359 4.515 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 473978 FOLRIGUJRMROPI-UHFFFAOYSA-N 337.231 4.784 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 611314 NWPZHGRKNIGKHO-ZDUSSCGKSA-N 342.464 4.780 0 50 EJAA Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(F)F)c12 2733909 OVNNIUXCVOCDAA-UHFFFAOYSA-N 325.318 4.927 0 50 EJAA COc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC)S1 2847006 CCKUEZLYUSXWIK-RTBURBONSA-N 328.433 4.582 0 50 EJAA Sc1nnc(CSCc2ccccc2)n1-c1ccc(Cl)cc1 17072333 IKZFXNVEFNENPL-UHFFFAOYSA-N 347.896 4.643 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(CC)cc2)no1 64984574 WIAZVRRUFWBDJC-GOSISDBHSA-N 327.428 4.559 0 50 EJAA CC(C)c1ccc(NC(=O)C2CCN(C3CC3)CC2)c(C(C)C)c1 195349427 HUDGABYXLDUBKR-UHFFFAOYSA-N 328.500 4.746 0 50 EJAA O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1O2 1463174746 HNBWOLVMWHHFGA-BFYDXBDKSA-N 343.810 4.638 0 50 EJAA S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 96756 UCIYYZVCWTXJKJ-FQEVSTJZSA-N 332.472 4.957 0 50 EJAA CCC[C@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 114929 DQCZCIOEXSBBNB-SCLBCKFNSA-N 330.453 4.774 0 50 EJAA biogenic Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C 309338 PPMMMJNEVMYOQJ-UHFFFAOYSA-N 337.444 4.771 0 50 EJAA CCCOc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 1831626 GMVQRRVCNWDLLT-OAQYLSRUSA-N 337.463 4.538 0 50 EJAA CCOc1ccccc1-c1cc(C(=O)O)c2ccc(Cl)c(C)c2n1 2526037 WZOBSUJEQIYUTH-UHFFFAOYSA-N 341.794 4.961 0 50 EJAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 2767852 PJHHBCXYLJDASN-UHFFFAOYSA-N 343.429 4.516 0 50 EJAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 5186587 FDCINQSOYQUNKB-ZDPVWBBSSA-N 332.484 4.530 0 50 EJAA COc1ccccc1-c1ccnc2c(-c3ccc(F)cc3)c(C)nn12 6758068 WADZHMNENYTIHS-UHFFFAOYSA-N 333.366 4.519 0 50 EJAA Cc1cc(Cl)c2oc(C(=O)N[C@@H](C)c3c(C)n[nH]c3C)c(C)c2c1 12715287 GVFONFJNOYGGJB-JTQLQIEISA-N 345.830 4.534 0 50 EJAA CCOc1ccc(NC(=S)Nc2ccccc2C2(C)CC2)cc1 13520039 PLFBGNURODFHKR-UHFFFAOYSA-N 326.465 4.946 0 50 EJAA Cc1[nH]c2ccccc2c1/C=C1\SC(=O)N(c2ccccc2)C1=O 18272509 HOUPQUGINYTGEV-BOPFTXTBSA-N 334.400 4.717 0 50 EJAA CCc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(Cl)cc1 67631121 QLFOAYKRLROVET-UHFFFAOYSA-N 334.810 4.674 0 50 EJAA CCCc1ccc2oc(C(=O)N(C)CC[C@@H]3CCCCO3)c(C)c2c1 77471750 OFPISNNIHJFXQJ-KRWDZBQOSA-N 343.467 4.725 0 50 EJAA CNc1nc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)cs1 244828609 TZHOUAQUMRFWPZ-ACHSLPGTSA-N 345.487 4.543 0 50 EJAA CC(=O)Nc1ccc([C@@H]2O[C@@H]3CCCC[C@H]3c3sccc32)cc1 253388903 PZBHSMRWTXJCIK-NXHRZFHOSA-N 327.449 4.852 0 50 EJAA CC(C)c1ccoc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 671214728 VTQADKQAUDDLHN-MRXNPFEDSA-N 338.407 4.912 0 50 EJAA C[C@@H](NC[C@H](O)c1cccc2ccccc12)c1ccc(C(F)F)nc1 850517338 SDTPLFARLZJTQM-YJYMSZOUSA-N 342.389 4.557 0 50 EJAA COc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 619871 IJUKYDRVEWCRPC-UHFFFAOYSA-N 329.827 4.799 0 50 EJAA C[C@H]1C[C@@H](C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 16513526 FJCJTHYUFAKHMZ-BETUJISGSA-N 344.282 4.657 0 50 EJAA Cc1c(Cl)cc(C(=O)N(C)[C@@H](C)c2cncs2)cc1Cl 95364179 JYRCHNBDRFASFM-VIFPVBQESA-N 329.252 4.592 0 50 EJAA Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1 204913465 NGJTWWWUHPKDKC-UHFFFAOYSA-N 347.201 4.853 0 50 EJAA CC(C)(C)C(=O)c1c(O)c(Cl)cc(Br)c1Cl 232318564 XCWFOGRCXWWCGF-UHFFFAOYSA-N 326.017 4.690 0 50 EJAA CC(C)[C@]1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 239402512 QTCCWCRPTWVSSV-XZAVUURCSA-N 337.507 5.074 0 50 EJAA O=C(c1cccc(COc2ccccc2Cl)c1)N1CCCCC1 468549 GELXYNKOMMJDNP-UHFFFAOYSA-N 329.827 4.545 0 50 EJAA CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 11903230 PLTROUPZNSCFQK-ZDUSSCGKSA-N 339.464 4.553 0 50 EJAA Sc1nnc(CSCc2ccccc2)n1-c1ccccc1Cl 17072334 ZHLMMSFAXYPAPF-UHFFFAOYSA-N 347.896 4.643 0 50 EJAA CCc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 64984571 QYHAEQYQYKQDRF-KRWDZBQOSA-N 327.428 4.729 0 50 EJAA Fc1ccc2nc(CN3CCCC[C@H]3c3nccs3)ccc2c1 216408437 QIVSOQZOPGKALX-KRWDZBQOSA-N 327.428 4.558 0 50 EJAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1ccccn1 263588568 VUKQJNVRWXYZSU-HXUWFJFHSA-N 341.414 4.655 0 50 EJAA Cc1ccc2cc(NC(=O)c3cccnc3NC3CCCC3)ccc2n1 2325857127 QENFJTYAYMIGRE-UHFFFAOYSA-N 346.434 4.545 0 50 EJAA O=C(COc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl 132022 JZDBPDKVJSJRBH-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA COc1cc(C=O)cc(Cl)c1OCc1cccc2ccccc12 455144 LRWALFUOVWQLLS-UHFFFAOYSA-N 326.779 4.893 0 50 EJAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccncc1 475702 HVQQEURUGAHPRQ-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA CCCn1c(SCCOc2ccc(OC)cc2)nc2ccccc21 2915328 MYIYRRKJBSMOTG-UHFFFAOYSA-N 342.464 4.626 0 50 EJAA CCOc1ccc2c(c1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 4503254 DOZXCWBGMOKMHX-CYBMUJFWSA-N 335.325 4.578 0 50 EJAA CC[C@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C 12466568 JFISWJCPUZZMNN-KRWDZBQOSA-N 328.456 4.732 0 50 EJAA O=C(Nc1cccc2ccccc12)OC[C@@H]1CCCN2CCCC[C@@H]12 16662527 UJVSSKXGVRAIHG-PXNSSMCTSA-N 338.451 4.653 0 50 EJAA CCOc1ccc2nc(SNC[C@H]3C[C@H]4CC[C@H]3C4)sc2c1 101360795 KDAYIEQJYJPJGU-RWMBFGLXSA-N 334.510 4.728 0 50 EJAA COc1cc(CNc2ncnc3ccccc23)ccc1OC1CCCC1 170633439 CICSUEXWKLWALU-UHFFFAOYSA-N 349.434 4.572 0 50 EJAA Clc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 252427612 VHWZMUZKFCGALN-PMACEKPBSA-N 332.919 4.569 0 50 EJAA CC1(C)C[C@]2(C)OC(=O)N(Cc3ccccc3)[C@@]2(C)c2ccccc21 1430482 YKHFUHFZOPAGCY-VXKWHMMOSA-N 335.447 4.994 0 50 EJAA Cc1cc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)ccc1F 2549285 WTELZODAOGHRJM-RUDMXATFSA-N 339.288 4.685 0 50 EJAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)on1 2874524 KBTCZMCFDRGDMG-UHFFFAOYSA-N 332.281 4.613 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 2886302 YUNJTYAQFTYZGX-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA CC(=O)Nc1ccc2oc(-c3ccc(Br)c(C)c3)nc2c1 3002670 KFUPBVVCBRLBMG-UHFFFAOYSA-N 345.196 4.524 0 50 EJAA COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 4868141 BZKYMGWDWVLAMC-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA Cc1ccc(/C=C(/C(=O)c2ccccc2)n2nnc3ccccc32)cc1 5698412 BVUWZSNWPWRWJZ-QNGOZBTKSA-N 339.398 4.621 0 50 EJAA CSc1ccc(-c2cc(C(=O)O)n(-c3ccc(Cl)cc3)n2)cc1 15441913 OTCYPZWTFRNAHU-UHFFFAOYSA-N 344.823 4.613 0 50 EJAA COc1ccccc1NC(=O)Nc1cc(C(C)(C)C)ccc1OC 17067271 OHCKECGNZGZIJQ-UHFFFAOYSA-N 328.412 4.645 0 50 EJAA Oc1cccc(-c2cc([C@H]3CCN(Cc4ccsc4)C3)ccn2)c1 65404600 QKFWXWWISTWKHD-SFHVURJKSA-N 336.460 4.505 0 50 EJAA Fc1ccc(OCCCOc2ccc(Cl)cc2)c2ncccc12 1307367265 WGABLOGAWPAZRQ-UHFFFAOYSA-N 331.774 4.875 0 50 EJAA CCCN(C(=O)c1ccc(-c2ccco2)nc1C)c1ccccc1F 1437703358 KTUHDAPURVWBLH-UHFFFAOYSA-N 338.382 4.846 0 50 EJAA COc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 253015 NBXVZHYBXWHZIS-UHFFFAOYSA-N 344.625 4.837 0 50 EJAA biogenic CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 318408 VBKVEUCPWXHSBF-VGOFMYFVSA-N 336.435 4.810 0 50 EJAA CCCN1C(=O)c2ccccc2N[C@H]1c1c(Cl)cccc1Cl 443378 UBPXZXYVRIPKBU-MRXNPFEDSA-N 335.234 4.970 0 50 EJAA Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1C 444452 MGEFKTIDVUYQRA-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(c1ccccc1)c1ccccc1 468690 UFUHJAURAOIODI-IIBYNOLFSA-N 345.398 4.580 0 50 EJAA C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 571802 PCQMXTKVLBHSQN-LBPRGKRZSA-N 337.847 4.590 0 50 EJAA O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccs1 2880792 KLAKGOHDTGZVKU-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1Cl 2982042 ZXQFQQZOISUVEM-UHFFFAOYSA-N 340.275 4.657 0 50 EJAA C[C@@H]1Cc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 3178153 PJTGLURIKMIAMP-QGZVFWFLSA-N 327.427 4.796 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1C 4756177 COFXUDZZSQLAGQ-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA COc1ccccc1-c1cnn2c(Nc3cccc(C)c3)cc(C)nc12 7572483 JQDSBEDWABLHAP-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCCCN 44124495 IVASDPGLHXNPTQ-XPWALMASSA-N 342.571 4.759 0 50 EJAA Cc1noc(C)c1CCOc1cccc(-c2cnc3ccccc3n2)c1 1775980686 HGZSHASWXPYNDD-UHFFFAOYSA-N 345.402 4.523 0 50 EJAA CCC[C@H](N[C@@H]1COC[C@@H]1C)c1ccc(Oc2ccccc2)cc1 2325822348 RKGSTSJWVWVSBK-ORYQWCPZSA-N 325.452 4.945 0 50 EJAA Cc1ccccc1[C@H](CC(C)C)NC[C@H](CO)Cc1ccccc1F 2325842463 ZOBBRRNTLUMKJA-GCJKJVERSA-N 343.486 4.662 0 50 EJAA O=C(NCc1cccnc1)N1c2ccccc2Sc2ccccc21 88016 QOKMEIRGZSYISP-UHFFFAOYSA-N 333.416 4.594 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(F)c1 106097 PEPOXLSCVCSOGI-UHFFFAOYSA-N 331.350 4.621 0 50 EJAA COc1cc(NC(=O)c2cccc3ccccc23)c(OC)cc1Cl 168733 YMFDHCMYWDHYPR-UHFFFAOYSA-N 341.794 4.763 0 50 EJAA C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 443767 WOLGSTSAZBJSIZ-LLVKDONJSA-N 325.355 4.825 0 50 EJAA CCc1cc(=O)oc2cc(OCc3ccc(F)cc3)c(Cl)cc12 458777 ANLDPNRWOYZQGM-UHFFFAOYSA-N 332.758 4.727 0 50 EJAA COc1cc(C=O)ccc1OCCOc1ccc(C)cc1C(C)(C)C 2994817 QTCJHLNQIHUNLJ-UHFFFAOYSA-N 342.435 4.571 0 50 EJAA Cc1cc(C)c2c(CC(=O)NCc3ccccc3Cl)coc2c1 4820414 LBBOWWFOMVZPIK-UHFFFAOYSA-N 327.811 4.562 0 50 EJAA CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 13130635 AJAHXBHUQRMZKI-KOXHDTIKSA-N 330.431 4.830 0 50 EJAA O=C(c1cccs1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289595 BMXYYEXBNNGFRQ-UHFFFAOYSA-N 346.814 4.783 0 50 EJAA CC(C)C[C@@H](C)NC1CCN(c2ccc(-c3cscn3)cc2)CC1 48155950 FBOQFQSSTVTIIV-MRXNPFEDSA-N 343.540 4.803 0 50 EJAA Cc1ccc(-c2cc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)no2)cc1 101245618 XLIVBXLQQPYEOV-IERDGZPVSA-N 338.451 4.691 0 50 EJAA CCN(CC)C(=O)[C@H](c1ccccc1)N1CCCCC2(CCCC2)C1 2325828744 PZIOHEYQPFAUMV-FQEVSTJZSA-N 342.527 4.642 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@H](CC(C)C)c1ccc(F)cc1 2325842012 LVCFLXFTZMSQGB-XMSQKQJNSA-N 343.486 4.662 0 50 EJAA CCc1cccc(C)c1NC(=O)COc1cc(C)c(Cl)c(C)c1 310034 SFXSPVTWYOFKRB-UHFFFAOYSA-N 331.843 4.845 0 50 EJAA O=C(Nc1ccccc1)OCCOc1ccc(Cl)cc1Cl 1698903 VJLQHTWIMFFHJC-UHFFFAOYSA-N 326.179 4.621 0 50 EJAA O=C(Nc1cc(Cl)ccn1)[C@H]1CC1(c1ccccc1)c1ccccc1 4811999 RNMBUWASUBMGOH-GOSISDBHSA-N 348.833 4.680 0 50 EJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1ccccc1 11720335 VWBMIVVZAPFVFT-UHFFFAOYSA-N 326.827 4.935 0 50 EJAA Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2c(C)cccc2C)o1 65421937 HJBWMVMPPMFEOG-UHFFFAOYSA-N 344.418 4.574 0 50 EJAA C/C=C/[C@@H]1OC[C@@]2(COC(=O)NCCCCC)[C@H](C)C=C(C)[C@H]1[C@H]2C 252693349 CSSJDGXKUUQMTC-BKSWIALTSA-N 349.515 4.712 0 50 EJAA biogenic COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H](OC(C)=O)CC[C@]21C 257357392 NTOWCXZNUSRHKI-ISAFILGBSA-N 342.479 4.873 0 50 EJAA C[C@@H](Nc1ncnc2cc(F)c(F)cc12)c1ccc(F)c(Cl)c1 462786664 ZYWVNACCAUZBMB-MRVPVSSYSA-N 337.732 4.874 0 50 EJAA CC[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1F 806173328 XHHHLMNPGIUNNF-IAGOWNOFSA-N 341.348 4.619 0 50 EJAA C[C@@]1(c2ccccc2)CCCN1C(=O)C1CC(c2ccc(F)cc2)C1 1462471299 ULUNBZIFHHKARN-IRZJEQJZSA-N 337.438 4.857 0 50 EJAA Cc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c1 116520 UAVQTJIURFRCSF-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 149093 PYUINBPWFJZKGN-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cccnc2)cc1 233543 LXWQMUPFABBVQK-NRFANRHFSA-N 342.442 4.643 0 50 EJAA COc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OC(F)F 374355 UGDYLUQTIBNRQV-UHFFFAOYSA-N 335.350 4.672 0 50 EJAA CCN(C(=O)Nc1cc(OC)ccc1OC)c1ccc(C)c(Cl)c1 401855 ROZFYBSFIHUUDD-UHFFFAOYSA-N 348.830 4.724 0 50 EJAA Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 14911203 YRTPUXJOFHTXKE-UHFFFAOYSA-N 332.425 4.880 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3F)C2)c1 20908310 WHNVCDLOMYGKLI-LJQANCHMSA-N 349.453 4.904 0 50 EJAA Cc1c(C(=O)N(Cc2cccc(O)c2)CC2CC2)oc2c(C)cccc12 170627104 RCVYNOMDQNQMJD-UHFFFAOYSA-N 349.430 4.808 0 50 EJAA CN(C(=O)c1cc(C(C)(C)C)on1)c1nc2cc(Cl)ccc2s1 331789221 PLUACNUOQOKLHS-UHFFFAOYSA-N 349.843 4.512 0 50 EJAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1 110877 TXBIKVOIVWTLSX-OXQOHEQNSA-N 343.430 4.674 0 50 EJAA Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 349949 UFNFLQHVFVZBDU-UHFFFAOYSA-N 334.448 4.583 0 50 EJAA COc1ccc(NC(=O)Oc2ccc(SC)c(C)c2)c(Cl)c1 400357 HBJPEYKTFOKKLY-UHFFFAOYSA-N 337.828 4.990 0 50 EJAA O=C(/C=C/c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 442323 JLOPSZAIZVGYAP-ZHACJKMWSA-N 339.866 4.835 0 50 EJAA CCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 447731 APIFPBFJZYMZLB-UHFFFAOYSA-N 348.240 4.717 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 452691 OSZHIMVWMCPDOC-CYBMUJFWSA-N 326.465 4.635 0 50 EJAA Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 577986 SZUUTBSFKFRELS-UHFFFAOYSA-N 327.733 4.848 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1 858496 PCOJGQKTTFCXHD-UHFFFAOYSA-N 328.843 4.891 0 50 EJAA O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 1400637 DATGNBAKWXHSMN-UHFFFAOYSA-N 329.324 4.742 0 50 EJAA O=C1OCC[C@@H]1Sc1nc(-c2ccc(Cl)cc2Cl)cs1 2229881 JMZJRMOIESNGDN-NSHDSACASA-N 346.260 4.525 0 50 EJAA COc1cc(C)ccc1OCCOc1cccc(Cl)c1Cl 2991379 BYMQVQJKEMACOI-UHFFFAOYSA-N 327.207 4.768 0 50 EJAA CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cccnc2)cs1 65381543 SZHQVIVBSVIDRE-UHFFFAOYSA-N 346.459 4.679 0 50 EJAA C[C@@H]1CCN(C(=O)Nc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 118974824 AHCMTPMHPUREBV-MLGOLLRUSA-N 349.356 4.715 0 50 EJAA Cc1nc(-c2ccsc2)ccc1C(=O)N(CC1CC1)c1cccnc1 135562222 LPHNSNFVHLSDGX-UHFFFAOYSA-N 349.459 4.570 0 50 EJAA Cc1cc2c(NCC[C@H]3CCCCN3C3CCCC3)ncnc2s1 670460737 KSRGWPQEEFWGJD-MRXNPFEDSA-N 344.528 4.599 0 50 EJAA CC[C@H](c1ccccn1)N(C)Cc1ccc2cc(Cl)ccc2n1 952861733 JRTNVSIJHWABFE-LJQANCHMSA-N 325.843 4.866 0 50 EJAA Cc1ccc(CN2CC(Cc3ccccc3Br)C2)cc1F 1875331090 OJSNUTIVVVTAAY-UHFFFAOYSA-N 348.259 4.571 0 50 EJAA O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCCCC[C@@H]1c1ccco1 2325761829 NNYGTAAURSCMQN-RBSFLKMASA-N 341.398 4.521 0 50 EJAA CCOc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1OCC 38600 NIFFLCHEYFEPRK-UHFFFAOYSA-N 347.842 4.627 0 50 EJAA COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCCCC3)c2c1 45105 VHPSBIVVELUJJO-UHFFFAOYSA-N 335.403 4.735 0 50 EJAA biogenic Cc1c(C)n(C(=O)COc2cccc3cccnc23)c2ccccc12 208904 BQSUCNNPPFKOOW-UHFFFAOYSA-N 330.387 4.526 0 50 EJAA COc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1OC 293743 DXPHXBDAWBZZDZ-UHFFFAOYSA-N 345.483 4.811 0 50 EJAA COc1ccc(Cl)cc1NC(=S)Nc1ccccc1SC 610097 JIJMEXNRWPTNDH-UHFFFAOYSA-N 338.885 4.879 0 50 EJAA CC(=O)c1ccc(COc2ccccc2C(=O)Nc2ccccc2)cc1 614028 IAWFBGCIXJQJJA-UHFFFAOYSA-N 345.398 4.721 0 50 EJAA O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1 1693279 VOWAEIGWURALJQ-UHFFFAOYSA-N 330.424 4.666 0 50 EJAA biogenic,in-vitro CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccccc1 2983401 TXHNVTOGOZAUQR-FQEVSTJZSA-N 347.443 4.676 0 50 EJAA CC(=O)N(C)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 8682747 RPQMBUCXABSYHC-UHFFFAOYSA-N 349.459 4.631 0 50 EJAA Cc1nc(C)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)s1 16576636 WQUKRQMHHMVIAC-UHFFFAOYSA-N 348.431 4.556 0 50 EJAA C[C@@H]1C[C@H](N[C@H](Cc2ccccc2)c2ccccc2F)c2nccn21 297918947 XBNUKCMTYGUGJO-YSGRDPCXSA-N 335.426 4.602 0 50 EJAA CCCCCC[C@@H](O)CCCCCCCCCCc1nc(N)n[nH]1 1267971655 ZCNDSWPNVDTKMQ-QGZVFWFLSA-N 338.540 4.772 0 50 EJAA CC(C)=C1[C@H]2CC[C@H]1[C@@]13C[C@@H](C=C21)C[C@H]3S(=O)(=O)c1ccccc1 1501068223 OKWACHHENRWQKK-RCJOQXLUSA-N 340.488 4.542 0 50 EJAA Cc1nc(CN[C@H](C)c2ccc(F)c3ccccc23)c2n1CCCC2 2325707877 DHFGWBWNSUDSKK-CQSZACIVSA-N 337.442 4.671 0 50 EJAA Cc1cc(C)c2c(N)c(C(=O)Nc3cccc4ccccc34)sc2n1 98154 OVFYYXVKHWAPEV-UHFFFAOYSA-N 347.443 4.901 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1 143576 VCJMGYXOIQQZSK-UHFFFAOYSA-N 325.593 4.747 0 50 EJAA CCc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 291229 FECNYDOEOOGFRR-UHFFFAOYSA-N 332.359 4.903 0 50 EJAA CC(=O)c1c(NCc2ccccc2)nc(=S)n(-c2ccccc2)c1C 441856 XBONJICURVDWBH-UHFFFAOYSA-N 349.459 4.725 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@@H](C)CCC[C@@H]1C 442340 OVSIHFXJPAGPAX-RYUDHWBXSA-N 332.831 4.707 0 50 EJAA O=C(NCc1ccc(-n2cccc2)cc1)c1ccc(Cl)c(Cl)c1 1426635 ASVQMGONRMMRFO-UHFFFAOYSA-N 345.229 4.714 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)Oc1cccc2cccnc12 2164680 FNCZRSHUQASZJD-UHFFFAOYSA-N 332.281 4.865 0 50 EJAA O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1 2789343 BPIOVECRADSSIU-UHFFFAOYSA-N 328.626 4.506 0 50 EJAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 2890478 AHJLCQNZJHLCPU-LBPRGKRZSA-N 345.830 4.512 0 50 EJAA C[C@@H](NC(=O)c1ccc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 4997066 LKXQLTCWAQXFDJ-XSXQVXRUSA-N 334.463 4.570 0 50 EJAA FC(F)Oc1cccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 6926138 QGGPCPFJWKVSES-UHFFFAOYSA-N 346.377 4.806 0 50 EJAA Brc1ccc2c(c1)[nH]c1cc(Br)ccc12 13449819 QPTWWBLGJZWRAV-UHFFFAOYSA-N 325.003 4.846 0 50 EJAA biogenic,in-vitro Cc1ccc(OCCCn2c([C@H]3CCCO3)nc3ccccc32)cc1 16577541 BVDRJKLIJDHYIY-HXUWFJFHSA-N 336.435 4.665 0 50 EJAA CC(C)(C)OC(=O)n1cc(Br)c2ccc(Cl)cc21 90635735 BZZPVBVOSNRGHB-UHFFFAOYSA-N 330.609 4.840 0 50 EJAA in-vitro COc1cccc([C@@H]2CCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c1 91892994 HPMCFJSDHNFOTH-SFHVURJKSA-N 348.446 4.689 0 50 EJAA Cc1cccnc1[C@H](NC(=O)c1ccc2oc(C(C)C)nc2c1)C1CC1 95511309 XSQLIRLWARQCSM-LJQANCHMSA-N 349.434 4.536 0 50 EJAA CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1 170624630 JGLZFLDOPSAYFQ-IAGOWNOFSA-N 347.336 4.650 0 50 EJAA COc1cccc(CO[C@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c1 221673449 TUBWQLBEFSFOMZ-GQAVTEOGSA-N 336.884 4.783 0 50 EJAA CCCCCNC(=O)c1ccccc1NC(=O)CC1(C)CCCCC1 1875357625 OKFSIDJNABJQJX-UHFFFAOYSA-N 344.499 4.906 0 50 EJAA O=C(Nc1cccc(Br)c1)c1cc2ccccc2cc1O 291004 YKQVRUACBLLTAU-UHFFFAOYSA-N 342.192 4.560 0 50 EJAA Cc1cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)oc2cc1C 510083 QNNAUNHICJDPNM-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 619412 MOXYDDRBTKFGNW-GFCCVEGCSA-N 339.382 4.966 0 50 EJAA CCOc1ccc(OCCOc2cccc(C(F)(F)F)c2)cc1 2983856 RPYKDBDSQJZSET-UHFFFAOYSA-N 326.314 4.562 0 50 EJAA CCCC(=O)Nc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 4734849 BKVHMHDLJHLQNP-UHFFFAOYSA-N 340.467 4.580 0 50 EJAA CC(=O)Oc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 4841186 UCSULCWMLKMPOH-UHFFFAOYSA-N 346.386 4.608 0 50 EJAA CC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 5235443 CMKUHKJNAPHLJF-PKOBYXMFSA-N 326.827 4.928 0 50 EJAA O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccc(Cl)cc1 15009912 BGXCCJGAZYCDQL-NQDFZQDQSA-N 331.780 4.730 0 50 EJAA Cc1nccnc1-c1cccc(-c2ccn(CCCC(F)(F)F)n2)c1 23478842 DBYOSAOUBHAYAQ-UHFFFAOYSA-N 346.356 4.658 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)CO[C@@H]2CCCC[C@@H]2C)cc1C 170626331 XXMMUDTYLUWUJX-FFZOFVMBSA-N 329.484 4.562 0 50 EJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1ncnc3sc4c(c13)CCC4)C2 229672327 PJKJFRSOUWNLLO-KLRAXDNASA-N 327.497 4.807 0 50 EJAA c1ccc(Cn2sc(=Nc3ccccc3)nc2-c2ccccc2)cc1 254414094 YWKXLWSLQFXBLS-UHFFFAOYSA-N 343.455 4.892 0 50 EJAA Cc1cc2cccc(C(=O)Nc3cccc(N4C(=O)CC[C@H]4C)c3)c2o1 822376080 MAOUUTJCJJMPDU-CYBMUJFWSA-N 348.402 4.509 0 50 EJAA CC[C@H](c1cccc(OC)c1)N(C)Cc1nc(-c2ccco2)oc1C 952845838 BMFJHOZIGKONGO-GOSISDBHSA-N 340.423 4.835 0 50 EJAA Cc1cc(N2CCC(C3CC3)CC2)c2cc(OC(F)F)ccc2n1 1875328575 ZLFLXFGCHGIQBT-UHFFFAOYSA-N 332.394 4.771 0 50 EJAA CCOc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2C=O)cc1 225542 HZSSMBUBGCLLBL-NTEUORMPSA-N 346.382 4.670 0 50 EJAA FC(F)(F)c1c2c(nc3c(-c4ccc(Cl)cc4)cnn13)CCC2 313264 ONGTVGSBQXEFKE-UHFFFAOYSA-N 337.732 4.557 0 50 EJAA S=C(NCCSCc1ccc(Cl)cc1)Nc1ccccc1 2479204 WANGGFFCJVYDSE-UHFFFAOYSA-N 336.913 4.560 0 50 EJAA COCCSc1ccccc1C(=O)Nc1ccccc1C(C)C 2865291 XWMOSCSMYMNAND-UHFFFAOYSA-N 329.465 4.801 0 50 EJAA c1ccc2[nH]c(CSCSCc3nc4ccccc4[nH]3)nc2c1 3121867 XTALRVZNAAFTET-UHFFFAOYSA-N 340.477 4.563 0 50 EJAA CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 3589502 DFCDPVQYZRCFIO-UHFFFAOYSA-N 328.847 4.879 0 50 EJAA COc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 4825424 OBMZAZBASCZHLM-UHFFFAOYSA-N 339.416 4.833 0 50 EJAA COc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)cc12 4840693 OVUJMEBRADBFNS-UHFFFAOYSA-N 329.783 4.584 0 50 EJAA Cc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)F)c12 20615052 JVODXAOSYJRXFN-UHFFFAOYSA-N 339.345 4.986 0 50 EJAA Cc1cc([C@H]2CCCN2Cc2ccc(OCc3ccccc3)cc2)on1 64666842 UOVRXHDWRDUKQI-OAQYLSRUSA-N 348.446 4.899 0 50 EJAA CCCc1ccc2oc(C(=O)N(C)[C@H](C)c3ccon3)c(C)c2c1 77343780 QSJMSWAFQZIRPR-CYBMUJFWSA-N 326.396 4.515 0 50 EJAA COCCC[C@@H](C)C(=O)N1CCC[C@H]1c1cccc2ccccc12 272488689 HMBCUUUIGDPOFJ-UZLBHIALSA-N 325.452 4.566 0 50 EJAA COC(=O)c1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1 71657 UCNYVQXUMQETED-UHFFFAOYSA-N 326.783 4.727 0 50 EJAA CC(C)c1ccc(OC(=O)COc2ccc(Br)cc2)cc1 129603 QZCFHZGDFSNSCC-UHFFFAOYSA-N 349.224 4.557 0 50 EJAA O=C(NCc1ccco1)c1ccc(-c2cc(Cl)ccc2Cl)o1 449518 RTMXDBMDKLLTNC-UHFFFAOYSA-N 336.174 4.776 0 50 EJAA Cc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1C 452765 XYOCBEWQEPCCOS-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA COc1ccc(CNCC[C@H](Cc2ccccc2)c2ccco2)cc1 2154701 MCKSLWVUZLNLJF-HXUWFJFHSA-N 335.447 4.794 0 50 EJAA biogenic CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OC)c2c1 6451056 YTQYEMJPBUNHPA-UHFFFAOYSA-N 325.795 4.904 0 50 EJAA Cc1nc(NCc2cccc3ccccc23)sc1-c1ccn(C)n1 14990115 BRVWJXQZSJOLPZ-UHFFFAOYSA-N 334.448 4.617 0 50 EJAA C[C@@H](Nc1nccc(-c2cccnc2)n1)c1ccccc1C(F)(F)F 96139337 BKRMRGWUTPJDJI-GFCCVEGCSA-N 344.340 4.731 0 50 EJAA c1ccc(N2CC[C@@H](CN[C@@H]3CC4(CCC4)Oc4ccccc43)C2)cc1 152549962 OWRMALKGEMKLKM-GHTZIAJQSA-N 348.490 4.549 0 50 EJAA CN(CCc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C 220767240 FNOZVWWGMKJQHQ-UHFFFAOYSA-N 348.668 4.512 0 50 EJAA CCCSc1ccc(NC(=O)c2c(C)[nH]c(C(C)=O)c2C)cc1 952861119 DILRSMPXCPMXLL-UHFFFAOYSA-N 330.453 4.589 0 50 EJAA CCCCc1ncc(CN[C@H](c2cccnc2)c2ccc(C)c(C)c2)[nH]1 952964417 LUMFSDINTLDIFW-QFIPXVFZSA-N 348.494 4.643 0 50 EJAA C[C@H]1c2ccccc2CN1C(=O)NC1(c2ccc(Cl)cc2)CC1 1776002350 MZDYYKNBHBXNEL-ZDUSSCGKSA-N 326.827 4.616 0 50 EJAA O=C(Nc1cccnc1)c1ccc(OCc2ccccc2Cl)cc1 141249 DAJWUEIOYQHXNB-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA Cc1ccc2c(C)nc(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1 445579 ZXUCJVKVIHOLFR-UHFFFAOYSA-N 341.418 4.756 0 50 EJAA CCSc1ccc(NC(=O)c2ccccc2Br)cc1 614204 AQYWHTWAFBTIBU-UHFFFAOYSA-N 336.254 4.813 0 50 EJAA Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCCC2 2558515 BKDKANJLEJQQRF-UHFFFAOYSA-N 334.872 4.895 0 50 EJAA CN(Cc1ccccc1)C(=O)Cc1coc2ccc3ccccc3c12 4387205 XJIMLHBGFUUNHQ-UHFFFAOYSA-N 329.399 4.787 0 50 EJAA Cc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 13320497 YNCQHLNUHGWATF-UHFFFAOYSA-N 329.709 4.706 0 50 EJAA CCN(Cc1ccccc1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101357761 ZVLUGYUWRKXAQV-QFIPXVFZSA-N 342.442 4.602 0 50 EJAA Cc1ccc(Oc2ccc(N[C@@H]3CCc4ccc(F)cc43)cc2)nn1 170651604 YDSULEVQZUVURV-LJQANCHMSA-N 335.382 4.816 0 50 EJAA O=C(Nc1ccsc1Cl)N1CCCCC[C@@H]1c1ccncc1 189331590 SEYJNLSPCDGIMI-CQSZACIVSA-N 335.860 4.946 0 50 EJAA Cc1cccc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1C 225458377 JCGWRICHKTVWGI-AWEZNQCLSA-N 341.842 4.858 0 50 EJAA OC[C@H]1CCC[C@@H](n2ccnc2-c2ccc(OC3CCCC3)cc2)C1 1857732662 ZUZYKJCVCOHJPH-FUHWJXTLSA-N 340.467 4.595 0 50 EJAA CC(=O)N(Cc1ccc(Br)cc1)c1cccc(C)c1C 616221 IEUWANROMRCFOH-UHFFFAOYSA-N 332.241 4.619 0 50 EJAA Cc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 4005930 BEGXTYVGZUMBTC-OAQYLSRUSA-N 327.427 4.940 0 50 EJAA O=C(c1ccsc1)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 14888335 AXLRMSDEGHEJBL-LJQANCHMSA-N 335.428 4.524 0 50 EJAA Cc1cccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1C 64984601 CMZJTVRUIGQBCR-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA Cc1cc(C)c2ccc(C(=O)Nc3cc(C)nn3[C@H](C)C3CC3)cc2n1 1506404302 ZDBBBOFZSJZHFU-OAHLLOKOSA-N 348.450 4.580 0 50 EJAA Cc1nc(-c2ccc(N[C@@H](C)c3ccc(C(F)F)nc3)cc2)no1 1875328705 IPODTQXXFMMGNI-JTQLQIEISA-N 330.338 4.551 0 50 EJAA Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1-c1ccccc1 28424 OIHCVXXZJIHZQS-SJORKVTESA-N 334.444 4.861 0 50 EJAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCC2)C1 2558488 UDSQYMLQUNFHMV-LBPRGKRZSA-N 334.529 4.544 0 50 EJAA O=C(CCCCN1CC[C@@H](c2ccccc2)C1)c1ccc(F)cc1 4122132 RBURCGBYRAOMLD-LJQANCHMSA-N 325.427 4.668 0 50 EJAA CCc1cccc(C)c1NC(=O)CCc1cccc(OC)c1Cl 4542812 NUQKUIVTZIMWIO-UHFFFAOYSA-N 331.843 4.791 0 50 EJAA Cc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)cc1 4588576 JMCXSIAIXDATPL-ZROIWOOFSA-N 332.186 4.646 0 50 EJAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc(C)o3)C2)cc1 20994161 SXCUCEWFAPODFM-GOSISDBHSA-N 335.451 4.666 0 50 EJAA Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ccccn3)c(C)c2c1 91593439 NGTVAOYATWWZBZ-LJQANCHMSA-N 333.435 4.547 0 50 EJAA COc1cccc2ccc(CN(C)[C@H](C)c3nc(C)sc3C)nc12 215848229 SEDYAYDHFIFTPC-GFCCVEGCSA-N 341.480 4.510 0 50 EJAA COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2c2ccco2)cc1 242047984 VRTWGQRWALVIPP-QYZOEREBSA-N 339.435 4.536 0 50 EJAA C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1nc(C2CCCCC2)no1 329602104 FOJPOSMSMWFVOB-JLSDUUJJSA-N 325.456 4.572 0 50 EJAA Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cccc1 1324298990 QTTUAUDWBZAJMY-SJLPKXTDSA-N 338.476 4.519 0 50 EJAA Cc1ccccc1-c1ccccc1C(=O)N(C)Cc1cccc(O)c1 1465841598 GJDNISNHPKOAPO-UHFFFAOYSA-N 331.415 4.640 0 50 EJAA O=C(Nc1nc2ccc(F)cc2s1)[C@H]1C[C@H]1c1ccc(Cl)cc1 1775976140 KAZALZGXUHNVTH-STQMWFEESA-N 346.814 4.831 0 50 EJAA Cc1ccc(-c2nc(-n3c(C)csc3=O)c(-c3ccccc3)o2)cc1 2050024783 NXJLUWWLSZCZEQ-UHFFFAOYSA-N 348.427 4.838 0 50 EJAA Cc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(Cl)nn1C 2325760750 BUAGFPGQSVKAKM-UHFFFAOYSA-N 333.863 4.881 0 50 EJAA Cc1cc(C)c(NC(=O)Cc2ccc(Br)cc2)c(C)c1 456470 AQDMKECDKSZBII-UHFFFAOYSA-N 332.241 4.556 0 50 EJAA COc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 621720 COWOVMKVTXDTEQ-UHFFFAOYSA-N 330.767 4.864 0 50 EJAA O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cccs1 1075095 SDRMZUOXBJUDFI-UHFFFAOYSA-N 328.437 4.519 0 50 EJAA O=C(Nc1ccc(Br)cc1F)c1cccc2ccccc12 2647417 UXISBWYLTSVJSY-UHFFFAOYSA-N 344.183 4.994 0 50 EJAA CCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12 2918101 MCSGDQQHJBDNSF-UHFFFAOYSA-N 332.758 4.727 0 50 EJAA CCSc1ccccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 4982972 XZNOBNCXUIORNA-UHFFFAOYSA-N 342.420 4.533 0 50 EJAA CC[C@@H](C)c1ccc(-n2c(S)nnc2CCc2ccccc2)cc1 6394160 LIUGBMCLESQDEB-OAHLLOKOSA-N 337.492 4.855 0 50 EJAA Clc1cccc(N2CCN(Cc3ccc4ccccc4c3)CC2)c1 55543892 MMHWYTPPDFOODI-UHFFFAOYSA-N 336.866 4.815 0 50 EJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1 100969590 JMCJYXSZLBMTGE-BGYRXZFFSA-N 349.430 4.775 0 50 EJAA Cc1cccc(NC(=O)[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 239310474 ILZRVBWTTJKFOR-HUSMAVQQSA-N 338.278 4.790 0 50 EJAA aggregator C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)c2ccccc2F)c2nccn21 297918938 XBNUKCMTYGUGJO-XPGWFJOJSA-N 335.426 4.602 0 50 EJAA O=C(CSc1ccc2ccccc2n1)Nc1cccc2cccnc12 334161063 RXAKGQUISRFITA-UHFFFAOYSA-N 345.427 4.514 0 50 EJAA CC[C@@H]1CCCC[C@@H]1CNCc1c(C(C)C)nc2sc(C)nn12 1474163907 FRUPOQFPIWLRHZ-HUUCEWRRSA-N 334.533 4.529 0 50 EJAA O=C(NC[C@H]1CCCC[C@H]1c1ccccc1)N1CCC2(CCC2)C1 1686473379 HVVLUCZZVTUUOR-MOPGFXCFSA-N 326.484 4.546 0 50 EJAA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1 191016 VKKNZIIVEAHBOG-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1 443008 PGLYVUIOXLHPEB-UHFFFAOYSA-N 325.795 4.819 0 50 EJAA CCOc1ccc(-c2cc(C(=O)NC(C)(C)C)c3ccccc3n2)cc1 475695 STGLHTCYWIPMBF-UHFFFAOYSA-N 348.446 4.829 0 50 EJAA CSc1nc(NCc2ccccc2)c2c3c(sc2n1)CCC3 477108 UPUCQZAUNCDETE-UHFFFAOYSA-N 327.478 4.514 0 50 EJAA CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 617611 LNLJZTDDDXPJFB-ROUUACIJSA-N 338.842 4.640 0 50 EJAA C[C@@H]1CCc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)csc2C1 4651164 VGSZCWPSBVDMLQ-BUBBNXEVSA-N 343.536 4.819 0 50 EJAA CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccc(C)cc3)c12 4810423 DZXVSWODRCCZCA-UHFFFAOYSA-N 336.387 4.582 0 50 EJAA Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c(Cl)c1 17251954 PNVJNUXQAQDCHJ-UHFFFAOYSA-N 344.265 4.744 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1C 33270632 BXQXNZOMYSJKTJ-OAHLLOKOSA-N 347.846 4.876 0 50 EJAA Cc1ccccc1N1CCN(Cc2cccc(Cl)c2Cl)CC1 55543359 IBPXEAGWYVBHJI-UHFFFAOYSA-N 335.278 4.624 0 50 EJAA COCc1nn2c(-c3ccccc3Cl)ccnc2c1-c1ccccc1 71385350 QMOPEMHKSQIRIR-UHFFFAOYSA-N 349.821 4.863 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(C[C@H]3CC=CCC3)C2)c1 200584596 YRRPHZLSHVEERK-ICSRJNTNSA-N 335.495 4.921 0 50 EJAA C[C@]1(C(=O)NCc2ccco2)CC2c3ccccc3C1c1ccccc12 33325 VFPSYDSGTZBDKM-BBHUYCHWSA-N 343.426 4.583 0 50 EJAA CC1=CC(C)(C)N([C@H](O)C(Cl)(Cl)Cl)c2cc(C)ccc21 64622 GWHXOILQZFBSLE-CYBMUJFWSA-N 334.674 4.686 0 50 EJAA COc1ccc(Cc2c(C)nc3ccc(OC)cc3c2Cl)cc1 759263 PLPNZRHWEJZDEQ-UHFFFAOYSA-N 327.811 4.805 0 50 EJAA c1ccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccccc2)cc1 1036681 HWXLACTWXRGNDV-LNVKXUELSA-N 343.455 4.702 0 50 EJAA Cc1c(C(=O)Oc2ccc(Br)cc2)oc2ccc(F)cc12 1057185 YNQLIYQBLPFVJG-UHFFFAOYSA-N 349.155 4.862 0 50 EJAA O=C(Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 2617949 NUCGNVOUNFOXOQ-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA Cc1ccccc1CSCCNC(=O)[C@@H](C)Sc1ccccc1 2813837 CSFCUZYCDYNOOJ-MRXNPFEDSA-N 345.533 4.525 0 50 EJAA Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 4424233 SKTFDNYNCRPXCA-PXNSSMCTSA-N 334.350 4.661 0 50 EJAA C[C@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)C[C@@H](C)O1 13153159 OYAYKHLEMQYGQU-OKILXGFUSA-N 340.448 4.519 0 50 EJAA CCn1c(SCc2cccc(OC)c2)nnc1C1CCCCC1 17068141 FLFVNLLRLNOYQG-UHFFFAOYSA-N 331.485 4.647 0 50 EJAA CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1 43063887 KGPYBLOBHQLIET-OAHLLOKOSA-N 346.430 4.598 0 50 EJAA CCn1ccc2ccc(CN3CCC[C@@H]3c3nc(C(C)C)no3)cc21 77566419 HTMZAANFDWISAU-QGZVFWFLSA-N 338.455 4.505 0 50 EJAA Cc1cccn2cc(-c3ccc(N[C@H](C)c4cccnc4)cc3)nc12 182876432 USTBDVHCFUSJSE-MRXNPFEDSA-N 328.419 4.878 0 50 EJAA COc1ccc2nc(/C=C/c3cnc(C(C)(C)C)nc3)sc2c1 253425829 JBMUSTVIPOGYSL-VMPITWQZSA-N 325.437 4.563 0 50 EJAA Cc1oc(-c2ccccc2)nc1C[S@@](=O)CC=Cc1ccccc1 1857532167 VRNJLPPVXALICB-DEOSSOPVSA-N 337.444 4.612 0 50 EJAA CCc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 443344 ITHXQAQANMXXPD-UHFFFAOYSA-N 329.197 4.729 0 50 EJAA COc1ccccc1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 546491 XMIGORWJCPJZTH-LJQANCHMSA-N 343.426 4.640 0 50 EJAA CCCC[C@@]1(c2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 2589549 UEZHTRNJUJQBQN-GOSISDBHSA-N 345.899 4.582 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1ccc2c3c(cccc13)CC2 2837944 IZMGMSRDBBARTA-UHFFFAOYSA-N 337.806 4.853 0 50 EJAA Cc1ccn2c(-c3csc(Nc4ccc(O)cc4)n3)c(C)nc2c1 4094796 JIYDQMGPLRGHEM-UHFFFAOYSA-N 336.420 4.524 0 50 EJAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1F 4842161 QOPHTBSXKBPTMN-UHFFFAOYSA-N 347.349 4.590 0 50 EJAA Cc1ccoc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1CC(C)C 11709619 NLYKKAGNVOFRQZ-GOSISDBHSA-N 336.435 4.855 0 50 EJAA Cc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] 68245463 BSZQSLWNMVTKJT-UHFFFAOYSA-N 348.352 4.789 0 50 EJAA Cc1nnc([C@@H](C)N[C@H](Cc2ccccc2)c2sccc2C)s1 242273597 YEGCRZSMWKBBTC-CZUORRHYSA-N 343.521 4.851 0 50 EJAA Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)O)c1C 349866 SZWFRYMHGAWGCD-UHFFFAOYSA-N 331.437 4.613 0 50 EJAA CCc1cccc2c(C=O)cn(CCOc3ccccc3Cl)c12 471019 IMHAFXYEABNCRW-UHFFFAOYSA-N 327.811 4.749 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2c1CCCC2 471227 JEOFNDHMKIBDIA-ZDUSSCGKSA-N 329.827 4.625 0 50 EJAA OCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccccc12 2495663 XCRJOMITAUPHIX-UHFFFAOYSA-N 327.427 4.891 0 50 EJAA COc1ccc([C@@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 4844867 MMTOZKCNWITSRH-QFIPXVFZSA-N 345.442 4.534 0 50 EJAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2CC2CC2)c1 12049747 SHBUVFBRAIAYEJ-QFIPXVFZSA-N 332.447 4.534 0 50 EJAA COCc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@@H]3CCC1 60050168 XXNVNCLJWPPPSH-JOCHJYFZSA-N 346.474 4.681 0 50 EJAA COc1cccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn23)c1 71385123 VDVMIQZAFKLLEJ-UHFFFAOYSA-N 335.794 4.725 0 50 EJAA Cc1ccc2c(C)c(C(=O)N(Cc3ccncc3)C3CC3)oc2c1C 77343804 CQSWHQMDBVNESI-UHFFFAOYSA-N 334.419 4.558 0 50 EJAA Cc1ccc2nc(C)cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)c2c1 77428508 ZOTCPURGZWMAIU-FQEVSTJZSA-N 334.394 4.578 0 50 EJAA CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C)c4cc(Cl)ccc4n3)C[C@@H]21 1704331179 KVDBIPKMXHLDGY-CFLQYTFWSA-N 344.886 4.574 0 50 EJAA CCOP(=O)(Cc1csc(CCc2ccccc2)n1)OCC 1776004352 PGTLGMYYWAATKF-UHFFFAOYSA-N 339.397 4.694 0 50 EJAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 251162 IUXBGCZGJQVUBJ-UHFFFAOYSA-N 335.790 4.823 0 50 EJAA CC(=O)c1c(C)cc(C)c(CSCC(=O)Nc2ccccc2)c1C 309401 OGETUGGKKWFDRT-UHFFFAOYSA-N 341.476 4.686 0 50 EJAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 609524 AQTWNTGQAMWCNK-NSHDSACASA-N 325.355 4.825 0 50 EJAA CCOc1ccc([C@H](C)NC(=S)Nc2ccccc2OCC)cc1 611040 SZUQBRDCFJBCHG-AWEZNQCLSA-N 344.480 4.532 0 50 EJAA C[C@H](Oc1ccccc1)C(=O)Nc1nc(C2CCCCC2)cs1 614081 ZUNWNKHROJWSGJ-ZDUSSCGKSA-N 330.453 4.597 0 50 EJAA CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 815127 DPMGIYPBABCWOQ-UHFFFAOYSA-N 339.222 4.521 0 50 EJAA CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)cc1 1186545 GPHHPIBSUMEBKZ-UHFFFAOYSA-N 326.421 4.916 0 50 EJAA CC(=O)c1c(C)n(-c2ccccc2Br)c2ccc(O)cc12 2474800 WXYNPRXVWUKTPD-UHFFFAOYSA-N 344.208 4.610 0 50 EJAA CCOc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 4724954 KGDRQCNRWGSAJE-UHFFFAOYSA-N 345.398 4.569 0 50 EJAA CC(C)N1CCC(c2nccn2[C@H](C)c2ccc3[nH]ccc3c2)CC1 71746863 UPMVUFQVFLHLBX-MRXNPFEDSA-N 336.483 4.562 0 50 EJAA CC1(C)C(c2ccccc2)=N[C@@H](c2ccc(C(F)(F)F)cc2)N1O 191967 SZHGGNGAKMTGHM-MRXNPFEDSA-N 334.341 4.677 0 50 EJAA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)o1 442383 KZFRWSLLEHVKOE-UHFFFAOYSA-N 334.984 4.601 0 50 EJAA O=C(NCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 2566460 FBIJTLBDZOLRSK-UHFFFAOYSA-N 328.721 4.681 0 50 EJAA c1ccc(-c2ccccc2OCCOCCN2CCCCCC2)cc1 2839021 IQZLKQVGPFOQGU-UHFFFAOYSA-N 339.479 4.625 0 50 EJAA COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 4542027 SSWSMOFPKKPGBV-UHFFFAOYSA-N 327.767 4.861 0 50 EJAA CCc1cccc2c(C(=O)OC)cc(-c3ccc(Cl)cc3)nc12 6451146 HGCTVKOUDJVVAX-UHFFFAOYSA-N 325.795 4.904 0 50 EJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 12597399 QVLFGWJAQUNGAU-KRWDZBQOSA-N 325.477 4.503 0 50 EJAA O=C(O)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 17071336 OORCKAGPYLEENA-UHFFFAOYSA-N 341.219 4.501 0 50 EJAA Cc1ccc2[nH]c(C(=O)N(Cc3ccc(C)s3)C3CC3)c(C)c2c1 91433822 CJMQWMJVPPHFDB-UHFFFAOYSA-N 338.476 4.959 0 50 EJAA CCOC(=O)[C@@H](NCC[C@@H](C)CC(C)(C)C)c1ccccc1Cl 96026426 ALRYVEUWOHBWSB-PBHICJAKSA-N 339.907 4.996 0 50 EJAA Fc1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)c(Cl)c1 132733791 TVCBVFSBVWHWQI-UHFFFAOYSA-N 338.169 4.795 0 50 EJAA CCOC(=O)c1c(NC(=O)C(C)C)sc(CC)c1-c1ccccc1 313999 CBKPSWRBAGCWFU-UHFFFAOYSA-N 345.464 4.749 0 50 EJAA Cc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 993204 NNANDQTUQDGXHX-UHFFFAOYSA-N 345.398 4.509 0 50 EJAA CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1Cl 1126948 DOJCWJFIKVMZOI-UHFFFAOYSA-N 341.190 4.669 0 50 EJAA CCc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 2813560 XAMABYFLXPTALU-CVEARBPZSA-N 334.246 4.775 0 50 EJAA O=C1C[C@H](c2cccs2)Sc2nc(-c3ccc(Cl)cc3)nn21 4387877 LELXAROFFJXUIH-GFCCVEGCSA-N 347.852 4.537 0 50 EJAA Cc1cccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)c1 4694312 VBAOADHODOYZOA-UHFFFAOYSA-N 344.499 4.723 0 50 EJAA Cc1cc(CNc2cnccn2)c2[nH]c(-c3ccccc3)c(C)c2c1 71774718 LFDTYFVOIYDXDX-UHFFFAOYSA-N 328.419 4.854 0 50 EJAA Cc1ccc(C2CC2)c(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)c1 1875304984 BMTWAUKDGMHKBP-KESTWPANSA-N 349.474 4.992 0 50 EJAA CCOc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 42864 PLPAJKCRFHSBJT-OCCSQVGLSA-N 328.239 4.615 0 50 EJAA O=c1cc(-c2ccc(Cl)cc2)oc2ccc(Br)cc12 58084 UWEJUZJFROHCGO-UHFFFAOYSA-N 335.584 4.876 0 50 EJAA biogenic COc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)S2)cc1 225221 ICRGSDQNZOTTTN-OALUTQOASA-N 328.433 4.582 0 50 EJAA O=C(OCc1ccc(Br)cc1)c1cccc2ccccc12 267362 ZFDIETSLFSDAKY-UHFFFAOYSA-N 341.204 4.959 0 50 EJAA c1ccc(C(Cc2nc(-c3cccnc3)no2)c2ccccc2)cc1 460918 GJEMXFNSXLHBAS-UHFFFAOYSA-N 327.387 4.506 0 50 EJAA CCCc1cc(=O)oc2cc(C)cc(OCc3cccc(OC)c3)c12 488976 MMRDKRQKMLLAHM-UHFFFAOYSA-N 338.403 4.642 0 50 EJAA biogenic O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3o2)cc1 559788 UWDUQUPXCUOYCE-VAWYXSNFSA-N 330.343 4.740 0 50 EJAA Cc1ccc(C)c(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 2906940 FIEOVIRMGLLWCZ-JKSUJKDBSA-N 334.246 4.829 0 50 EJAA O=C(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 4821372 JDUHFWWSDVISOZ-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1F 6703642 ZGUUXVJYHDKPLZ-UHFFFAOYSA-N 345.377 4.701 0 50 EJAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1 12241984 VGYOLLSGSHOXGB-UHFFFAOYSA-N 335.426 4.595 0 50 EJAA CCc1cc(Br)ccc1NC(=O)c1ccccc1Cl 13325700 LERZRTKCOOYJFW-UHFFFAOYSA-N 338.632 4.917 0 50 EJAA CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccccc1Cl 13709861 YJSRVWZMKWLJDN-CYBMUJFWSA-N 331.843 4.871 0 50 EJAA CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)cc1 39005823 IKSZMNAOKDIORP-LFYBBSHMSA-N 331.209 4.692 0 50 EJAA COc1ccc(C(=O)[C@@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 71770580 LSQPQMIEMBQSGT-QFIPXVFZSA-N 346.426 4.913 0 50 EJAA C1=C(C2=CCCN(Cc3ccccc3)C2)CN(Cc2ccccc2)CC1 95630475 MAZCMFZLYVRJPM-UHFFFAOYSA-N 344.502 4.651 0 50 EJAA in-vitro Cc1ccc(N[C@H](c2ccc(O)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 223971551 MVCYMXFPPSIAHN-NMCNPDOESA-N 347.351 4.830 0 50 EJAA CC(C)n1ccc2cc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)ccc21 334161513 CZZFPZBBPMPLFP-CQSZACIVSA-N 346.434 4.590 0 50 EJAA CCc1ccc2oc(C(=O)Nc3ccccc3-n3cccn3)c(C)c2c1 334163381 ZMGPGCKFIJQDFE-UHFFFAOYSA-N 345.402 4.742 0 50 EJAA COc1cccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2)c1 1352910726 KYJHZQWSZPZLJA-MRXNPFEDSA-N 331.415 4.853 0 50 EJAA C[C@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 219006 SVDYYWQMNYSZKC-QGZVFWFLSA-N 328.887 4.656 0 50 EJAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 309956 HAORLLMJEUFKLB-UHFFFAOYSA-N 346.883 4.671 0 50 EJAA CCOc1cc(CO)cc(Cl)c1OCc1ccc2ccccc2c1 471064 ZDEBCCDQSOPOKS-UHFFFAOYSA-N 342.822 4.963 0 50 EJAA CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C)C 503503 VOTAYDDRTWTHKO-UHFFFAOYSA-N 345.464 4.803 0 50 EJAA CC1=CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cc(C)cc1c32 537062 PVOUHWGHLQPKJU-OAQYLSRUSA-N 348.471 4.908 0 50 EJAA O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc(F)c1 556433 VHGPXNLQAMHCOS-UHFFFAOYSA-N 332.806 4.722 0 50 EJAA Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccccc1 613019 FYXJZTXCPIXRPA-UHFFFAOYSA-N 333.819 4.567 0 50 EJAA CC1(C)C[C@@]2(C)OC(=O)N(Cc3ccccc3)[C@@]2(C)c2ccccc21 1430480 YKHFUHFZOPAGCY-YADHBBJMSA-N 335.447 4.994 0 50 EJAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 20615850 QCNMEYZLLXNHBU-UHFFFAOYSA-N 325.721 4.790 0 50 EJAA Cc1ccccc1[C@H]1CCCN(Cc2nc(-c3ccoc3)oc2C)C1 20781408 MAOCODXGGDWMAQ-KRWDZBQOSA-N 336.435 4.931 0 50 EJAA Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2o1 225401395 DFQBZVVBTMGSKM-QGZVFWFLSA-N 340.810 4.767 0 50 EJAA O=C(O)C1CCC(N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 263495360 SPULCHXTAAISJI-QYGXFBIXSA-N 349.430 4.755 0 50 EJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1Cl 828047865 QIXKWLFFRJBQSI-GFCCVEGCSA-N 334.847 4.619 0 50 EJAA CC(C)c1cnc(NC(=O)c2ccccc2OC2CCCC2)s1 1875260540 ZSRZXDQDNRQLLD-UHFFFAOYSA-N 330.453 4.840 0 50 EJAA CC(C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 464893 BCRJWQYTYBTEMJ-UHFFFAOYSA-N 337.857 4.782 0 50 EJAA O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCCC1 619500 WYXNNZKZDWHLFZ-UHFFFAOYSA-N 347.418 4.922 0 50 EJAA CCCOc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 1783185 JIIHFSFPUARURP-UHFFFAOYSA-N 338.432 4.851 0 50 EJAA CC(=O)c1cc2ccc1CCc1ccc(cc1Br)CC2 3122314 BAAQGXMYNQWCRA-UHFFFAOYSA-N 329.237 4.536 0 50 EJAA Cc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1 4488353 XVZFOYLRIKQKOY-UHFFFAOYSA-N 340.882 4.690 0 50 EJAA CC(C)(C)c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 5613797 GHLNCGJCTQJJCH-UHFFFAOYSA-N 337.448 4.755 0 50 EJAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)c1 6832521 BDTPXVPXFDPGSX-PZJWPPBQSA-N 336.435 4.611 0 50 EJAA CCN(CC)C(=S)Sc1nc2c(s1)CCc1ccccc1-2 71769668 ISSFBYDCWKIVSU-UHFFFAOYSA-N 334.535 4.628 0 50 EJAA CC(C)c1noc([C@@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)n1 77301791 XGTPYVDYXBAAJI-IBGZPJMESA-N 348.450 4.592 0 50 EJAA Cc1ncsc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 77406254 HTKVRVGVEDQDTG-UHFFFAOYSA-N 338.432 4.516 0 50 EJAA c1ccc(C2CCN(c3nccc(NC4CCCCC4)n3)CC2)cc1 1775996918 MYQOMNMSHXPUQG-UHFFFAOYSA-N 336.483 4.605 0 50 EJAA C[C@H](NC(=O)c1ccc2ccsc2c1)c1cccc(OC(F)F)c1 1875324663 HXLJCNKVHNEKRS-NSHDSACASA-N 347.386 4.994 0 50 EJAA Cc1ccncc1NC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1 2325735975 RSOANYGRXLTELZ-UHFFFAOYSA-N 347.418 4.953 0 50 EJAA Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Cl)cc1Cl 54285 VFJAYHOMYNXHIW-UHFFFAOYSA-N 347.245 4.756 0 50 EJAA biogenic,in-vitro COc1ccc(CNc2ccc3c(c2)CCC3)cc1Br 279897 ZAVZDRUYJDCBID-UHFFFAOYSA-N 332.241 4.559 0 50 EJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2C)c1 342332 WLXZDBZEPWGMTI-UHFFFAOYSA-N 330.815 4.558 0 50 EJAA CC(C)(C)c1ccc(CSc2nnnn2C2CCCCC2)cc1 615869 PUTRYUZGOGGPFN-UHFFFAOYSA-N 330.501 4.768 0 50 EJAA CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1 5599842 UXIPFQUBOVWAQW-UEBLJOKOSA-N 348.490 4.755 0 50 EJAA investigational CCCCc1nc2cc(C(=O)N3CCC[C@@H]3c3ccccn3)ccc2o1 11821364 CIKJEKUAPMHEOQ-GOSISDBHSA-N 349.434 4.543 0 50 EJAA CCC[C@@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl 12062238 DNWCNFZWDYKZFR-QGZVFWFLSA-N 332.806 4.711 0 50 EJAA Cc1ccc(C)c(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12459812 VGTZBKOADUEPIH-MRXNPFEDSA-N 337.442 4.787 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1 17071787 QZJSNEKGXJKRIX-UHFFFAOYSA-N 343.858 4.970 0 50 EJAA C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C(=O)CC 43762390 ANCHGALOVXDQRM-FEHMIHBQSA-N 332.484 4.659 0 50 EJAA c1ccc2nc(N3CCC[C@@H](c4nccn4CC4CCC4)C3)ccc2c1 95379258 QJBBEGKBWRXUHO-LJQANCHMSA-N 346.478 4.615 0 50 EJAA O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 168101406 VNZBMYOFBVVHJR-QZQWXXKDSA-N 337.394 4.820 0 50 EJAA CCN(Cc1ccccc1F)C(=O)c1cc2cccc(Cl)c2n1C 215352025 BABZNKWLRBPGLO-UHFFFAOYSA-N 344.817 4.633 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@H](CC[C@@]4(C)CCC[C@@H]34)[C@@]2(C)CC1=O 257345639 FASYXTMQFUGQBE-WEEZVYGMSA-N 332.484 4.530 0 50 EJAA O=C1C[C@H](c2ccco2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263586067 POKLXUIHFXWENG-INIZCTEOSA-N 342.398 4.757 0 50 EJAA biogenic CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 409419867 XTAARPJDFFXHGH-OIBOXGEZSA-N 346.511 4.920 0 50 EJAA biogenic Clc1nc(N2CCCC2)sc1-c1ocnc1Cc1ccccc1 2356165051 QOSFSLCZOOZVDY-UHFFFAOYSA-N 345.855 4.643 0 50 EJAA O=C(NCc1cccs1)c1sc2cc(F)ccc2c1Cl 68107 WPIDUNACUPFCBL-UHFFFAOYSA-N 325.817 4.685 0 50 EJAA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cccs1 445254 JAWLFQBBDXWKNQ-DHZHZOJOSA-N 345.832 4.961 0 50 EJAA CC1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 4715964 XPCFOMMPVJDKRJ-MRXNPFEDSA-N 330.790 4.759 0 50 EJAA CCc1ccc2oc(-c3cc(NC(=O)c4ccco4)ccc3O)nc2c1 4837939 NUHAANHXPPJAJM-UHFFFAOYSA-N 348.358 4.608 0 50 EJAA O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccco1 4867225 ZVHOWOOSYYGYTN-UHFFFAOYSA-N 327.767 4.764 0 50 EJAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)s1 9042018 HDPCHJLYLDBYIU-UHFFFAOYSA-N 348.790 4.642 0 50 EJAA Cc1ccc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)o1 67514586 ATRYBZXWQSRUJA-SFHVURJKSA-N 337.423 4.674 0 50 EJAA Cc1cc(C)c2[nH]c(C(=O)N(Cc3ccncc3)CC(C)C)c(C)c2c1 91452004 RMRQURALCJEIGK-UHFFFAOYSA-N 349.478 4.787 0 50 EJAA CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)c1cccnc1 131993263 AJUDWLJHPZQFJE-UHFFFAOYSA-N 340.423 4.924 0 50 EJAA O=C(Nc1cccc(C=Cc2ccncn2)c1)c1ccccc1Cl 1857531730 AGUJDFLXZFAGQE-UHFFFAOYSA-N 335.794 4.553 0 50 EJAA Cc1cc(C)c(NC(=O)c2ccc(Br)cc2)c(Cl)c1 145241 NIAYRDNPMQWHQL-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CCOc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)cc1 260301 OSDOICBMBQNODX-UHFFFAOYSA-N 344.461 4.831 0 50 EJAA O[C@H](COc1ccc(Cl)cc1)CSCc1ccc(Cl)cc1 300428 KGCRSQDWRXBLBW-OAHLLOKOSA-N 343.275 4.667 0 50 EJAA O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccco1 444449 HUIDAGLWRCAAQS-UHFFFAOYSA-N 346.342 4.530 0 50 EJAA CCc1sc(NC(=O)CCc2ccccc2)nc1-c1ccccc1 465938 ODXBFJIGDXQOCD-UHFFFAOYSA-N 336.460 4.944 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OCC 618254 WAGAVFUOICNYGL-UHFFFAOYSA-N 335.403 4.890 0 50 EJAA CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 618365 ZHFGMYBKBGAXJH-UHFFFAOYSA-N 345.398 4.783 0 50 EJAA COc1ccc(Cl)cc1NC(=O)CSCc1ccccc1C 3601232 VWHUAZJSEMCWDZ-UHFFFAOYSA-N 335.856 4.529 0 50 EJAA CCc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 4841203 CRSRZRRYQNBGNZ-UHFFFAOYSA-N 343.386 4.705 0 50 EJAA CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 4998893 PJTRDJGOLQFVPR-UHFFFAOYSA-N 328.843 4.829 0 50 EJAA Fc1cccc([C@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 12241922 IJBVUHKVGPLGNL-QGZVFWFLSA-N 339.439 4.793 0 50 EJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCc2ccccc21 13320482 VORYLWUKVGASLJ-UHFFFAOYSA-N 340.732 4.953 0 50 EJAA Cc1ccccc1-c1ncc(CNCc2csc(C(C)C)n2)s1 65409313 XJZSYLNSAVPDOW-UHFFFAOYSA-N 343.521 4.988 0 50 EJAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(Oc2ccccc2)c1 220330965 PJOATLLHKBYRMW-FQEVSTJZSA-N 339.435 4.510 0 50 EJAA c1ccc([C@@H](NCc2cnc(C3CCC3)s2)c2cccnc2)cc1 253418661 XSWXUSGPEVMMAD-LJQANCHMSA-N 335.476 4.685 0 50 EJAA CC(C)c1ccc(O)c(C(=O)NCc2ccccc2-c2cccnc2)c1 1875335934 MPEDXSSNIHPRRH-UHFFFAOYSA-N 346.430 4.508 0 50 EJAA Cc1ccc2cc(CN[C@H](c3ccnc(Cl)c3)C3CC3)ccc2n1 2325720033 UADUFAZVOGQAKX-FQEVSTJZSA-N 337.854 4.833 0 50 EJAA CCOc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1 316346 OOBJDNQVTAILGT-UHFFFAOYSA-N 334.423 4.539 0 50 EJAA Cc1ccn2c(NC(=O)c3ccccc3)c(-c3cccs3)nc2c1 373957 OVFLFOQKWYSFNY-UHFFFAOYSA-N 333.416 4.624 0 50 EJAA COc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(C)nc12 620540 GPYIQCMONZPSNS-UHFFFAOYSA-N 329.403 4.689 0 50 EJAA CCCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 2822522 YHCTWNNVDLXKAN-UHFFFAOYSA-N 337.463 4.570 0 50 EJAA Clc1ccccc1-c1nnc2sc(/C=C/c3ccccc3)nn12 4361496 VSHCDHHSLJEZSO-ZHACJKMWSA-N 338.823 4.677 0 50 EJAA O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccccc1 4842295 LVQRKHSWVGCUFS-UHFFFAOYSA-N 341.366 4.712 0 50 EJAA Cc1cccc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)c1 65419266 XEAOVAXNGKRSOX-UHFFFAOYSA-N 342.446 4.812 0 50 EJAA O=C(CCc1ccc(OCc2ccccc2)cc1)NCc1ccccc1 169795017 HVKWXYZTDDQEBU-UHFFFAOYSA-N 345.442 4.515 0 50 EJAA c1csc([C@H]2CCCCN2Cc2cnc(C3CCCCC3)nc2)n1 215341911 OZTRHDIUXJVNAT-QGZVFWFLSA-N 342.512 4.708 0 50 EJAA CC(C)n1ccc(NC(=O)N2CCC(c3cccc(Cl)c3)CC2)n1 280841183 WGGZITUAXJMWLY-UHFFFAOYSA-N 346.862 4.529 0 50 EJAA Cc1sc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)nc1C(C)C 931884517 IBESQVHRENNBAP-HNNXBMFYSA-N 345.468 4.650 0 50 EJAA COC(=O)Cn1ccc2c(N[C@@H](C)[C@@H]3CCC(C)=C(C)C3)cccc21 2325824639 KUPRCAOZOPTKOZ-DLBZAZTESA-N 340.467 4.751 0 50 EJAA O=c1oc2cc(OCc3ccc(F)cc3)c(Cl)cc2c2c1CCC2 123048 MPXQPQYBCGGDSL-UHFFFAOYSA-N 344.769 4.653 0 50 EJAA Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1 259745 IQYXLTSCDGADJD-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2C(C)C)c1 588397 NVNXVPAOVWFCTF-UHFFFAOYSA-N 326.465 4.554 0 50 EJAA COc1ccc([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 613642 JKWLVZZEWCPWSN-KRWDZBQOSA-N 345.442 4.782 0 50 EJAA CCCc1cc(=O)oc2cc(C)cc(OC(=O)C3CCCCC3)c12 858545 MITYODQCDBUXKI-UHFFFAOYSA-N 328.408 4.540 0 50 EJAA c1ccc(CCc2ccccc2-c2nc(-c3cccnc3)no2)cc1 1066236 RNKBMGVGOPXVCY-UHFFFAOYSA-N 327.387 4.584 0 50 EJAA FC(F)(F)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ccnn21 2766724 MJFAUAGMMKWIQU-QWRGUYRKSA-N 336.144 4.850 0 50 EJAA CCOc1cccc2sc(NC(=O)c3cc4ccccc4o3)nc12 4152461 IUEBVPZEFVTGEI-UHFFFAOYSA-N 338.388 4.694 0 50 EJAA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)NCc1ccccc1 4542973 YQDMRCDQPQYMFT-ACCUITESSA-N 337.806 4.930 0 50 EJAA CN(C(=O)c1cccnc1-c1nc2ccccc2s1)c1ccccc1 5451463 FVMAHADNZRGZGH-UHFFFAOYSA-N 345.427 4.635 0 50 EJAA O=C(Nc1ccccc1Cl)c1ccc(CN2CCCCCC2)cc1 38833790 PLRJFDMIMMQSMI-UHFFFAOYSA-N 342.870 4.968 0 50 EJAA Cc1cncc(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 408514355 ZKDZSGMHWPBTFS-HXUWFJFHSA-N 337.854 4.512 0 50 EJAA Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@H](C)n1cccc1 1324298988 QTTUAUDWBZAJMY-FUHWJXTLSA-N 338.476 4.519 0 50 EJAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 132049 BILYJNFLQSGMJY-UHFFFAOYSA-N 345.398 4.775 0 50 EJAA O=C(Nc1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1 443442 RYXMVXGNIZFQLS-UHFFFAOYSA-N 347.443 4.748 0 50 EJAA CC[C@@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 474732 PEXAFUJXIVRWOZ-OAHLLOKOSA-N 329.469 4.718 0 50 EJAA O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCCCC1 815129 QUEBCBGFFOQOQW-UHFFFAOYSA-N 339.222 4.665 0 50 EJAA O=C(Nc1ccc(Br)cc1)OC/C=C/c1ccccc1 2141236 RNAMTVROOGJUSU-QPJJXVBHSA-N 332.197 4.711 0 50 EJAA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 4162698 JIWPBHDLXKHUIY-GOSISDBHSA-N 332.428 4.740 0 50 EJAA Cc1c(Cl)cccc1NC(=O)c1cc(Br)ccc1F 4542203 MDFMOXGPPAPFTJ-UHFFFAOYSA-N 342.595 4.802 0 50 EJAA O=C(c1cccc2ccccc12)N1CCC[C@@H](Nc2ccccc2)C1 11667566 QFZRDMVHGXKJNE-LJQANCHMSA-N 330.431 4.557 0 50 EJAA O=C1/C(=C\c2cccc(Cl)c2Cl)N=C(S)N1c1ccccc1 34927058 CYWJPGHLXFJPMQ-UKTHLTGXSA-N 349.242 4.667 0 50 EJAA Fc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccccc3)C2)c1 43041320 MJANJNPOAFNFCI-GOSISDBHSA-N 335.426 4.595 0 50 EJAA CSc1ccc([C@@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 71767164 BZMSVJSCYVEWBD-LEWJYISDSA-N 335.472 4.843 0 50 EJAA CCCCCCN[C@H](C(=O)OCC)c1ccc(Cl)c(Cl)c1 96026572 MCGKNNCZLMWSRW-HNNXBMFYSA-N 332.271 4.768 0 50 EJAA CC(C)(C)C[C@@H](Nc1nccc(-c2cccnc2)n1)c1cccnc1 97729569 RYZBWJXWRRCNAQ-GOSISDBHSA-N 333.439 4.523 0 50 EJAA Cc1ccc(Cn2c[n+](Cc3cccc(C)c3)c3ccccc32)cc1 252493467 NCSNVMGAVRTHRZ-UHFFFAOYSA-N 327.451 4.642 0 50 EJAA CCCC[C@@H](NC1CCN(c2ccccc2F)CC1)c1cccnc1 952978026 RUSPPHMJESXCRP-HXUWFJFHSA-N 341.474 4.711 0 50 EJAA O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cnco2)cc1 1875387949 GVJRZVQJPWSCLD-UHFFFAOYSA-N 337.419 4.715 0 50 EJAA C[C@@H](NCc1cc(O)ccc1Cl)c1ccc2nc(C3CC3)[nH]c2c1 2325771627 BCNXUCAIADSJKI-LLVKDONJSA-N 341.842 4.650 0 50 EJAA Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)c(C)c1 36104 CKWVOYDXVGANLE-AWEZNQCLSA-N 339.464 4.607 0 50 EJAA O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)cc1 449941 GCVJKNFFJQJJDC-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA Cc1c(C)n(C[C@H](O)CNc2ccc(C(C)C)cc2)c2ccccc12 571481 SFXOVKWWFWTBEK-HXUWFJFHSA-N 336.479 4.855 0 50 EJAA COc1cccc([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 609102 VSTMJQMJHGYXER-LLVKDONJSA-N 338.329 4.597 0 50 EJAA O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](c2ccccc2)C1 1112906 DWLAITCHDNQNGZ-JOCHJYFZSA-N 327.427 4.983 0 50 EJAA CCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1SC 1401006 OXKZIQYJGVGGBK-UHFFFAOYSA-N 345.898 4.820 0 50 EJAA CCCCN(CCCC)c1ccc(S(=O)(=O)c2ccccc2)cc1 2968189 DRGAPMUNXAWUJX-UHFFFAOYSA-N 345.508 4.926 0 50 EJAA O=C(COc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 4542114 UGCNYJCGLDTXFC-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA O=C(Nc1nccs1)c1ccc(-c2cccc(Cl)c2Cl)o1 4842707 PMGXJFDCQHGUCT-UHFFFAOYSA-N 339.203 4.962 0 50 EJAA COc1ccc(CC[C@@H](C)NCc2ccccc2C(F)(F)F)cc1 4986004 KYBHBJWRNZYZBZ-CQSZACIVSA-N 337.385 4.825 0 50 EJAA O=C(NC12CCC3C[C@@H](C[C@@H](C3)C1)C2)c1ccc(Br)cc1 15724253 LGBDRUBMCJLSRS-MBIJGJCISA-N 348.284 4.538 0 50 EJAA C[C@H]([C@@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 31923529 BOZCOAZLVQXGKP-AUSIDOKSSA-N 331.459 4.811 0 50 EJAA in-vitro COCCN(Cc1ccc(C)cc1)Cc1ccc([C@H]2CCCO2)s1 55166509 IWJMUOXEGGSOQO-LJQANCHMSA-N 345.508 4.557 0 50 EJAA O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1CCc1cccc(O)c1 82091568 NWCXFTSFQHINQH-IBGZPJMESA-N 348.446 4.501 0 50 EJAA CCCO[C@H]1CCCN(C(=O)Nc2cccc(SC)c2C)CC1 253418048 XKJIFYHVJOKRJQ-HNNXBMFYSA-N 336.501 4.530 0 50 EJAA CC(=O)OCC[C@H](C)CC/C=C(/C)COCOCC[Si](C)(C)C 1501069161 GYTRRLQPUIVHHN-KGTJKXQDSA-N 344.568 4.631 0 50 EJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 1875325182 SPVLSAHKUZYMEQ-UHFFFAOYSA-N 347.480 4.545 0 50 EJAA c1ccc2c(c1)[C@@H](NCc1ccc(-c3cnco3)cc1)CCC21CC1 1875338665 GWGHKZDVFZVLKE-FQEVSTJZSA-N 330.431 4.998 0 50 EJAA C[C@@H](NC(=O)c1cccnc1S)c1ccccc1-c1ccccc1 2325720890 JPGAYGUDKGNRBE-CQSZACIVSA-N 334.444 4.528 0 50 EJAA CC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 132319 JFJGRQQCHKGYSZ-GFCCVEGCSA-N 328.462 4.736 0 50 EJAA Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc(Cl)cc1 189872 PNWKLDWSDNMLJN-UHFFFAOYSA-N 332.812 4.586 0 50 EJAA COC(=O)c1sc(-c2ccc(Oc3ccccc3)cc2)cc1N 2528657 FCGNAANAWBYEKB-UHFFFAOYSA-N 325.389 4.576 0 50 EJAA COc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 4006356 NCLFMRXNDDMDFQ-OAQYLSRUSA-N 343.426 4.640 0 50 EJAA CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(C(C)(C)C)on1 12383117 ZJXCEKSBRFPRGF-ZDUSSCGKSA-N 330.428 4.502 0 50 EJAA Cc1ccc(C)c([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)c1 13328711 WPPSTNZBUJROII-OAHLLOKOSA-N 334.419 4.758 0 50 EJAA COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 18218067 DXQIHTMNHOKVRX-UHFFFAOYSA-N 343.386 4.755 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C 33270620 LSWGHYRZBWFKHV-OAHLLOKOSA-N 347.846 4.876 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 96023525 FDCINQSOYQUNKB-VHRKQUMOSA-N 332.484 4.530 0 50 EJAA biogenic CC(C)=C1[C@H]2CC[C@H]1[C@@]13C[C@@H](C=C21)[C@@H](S(=O)(=O)c1ccccc1)C3 216472620 HYBSHZXOUXHLOD-XQUOKUBCSA-N 340.488 4.542 0 50 EJAA Cc1nnc([C@@H](C)N[C@@H](Cc2ccccc2)c2sccc2C)s1 242273596 YEGCRZSMWKBBTC-CJNGLKHVSA-N 343.521 4.851 0 50 EJAA O=C(Nc1ncccc1-c1ccccc1)c1cccc([C@@H]2CCOC2)c1 253425776 OTRYIDUXPQVMPY-LJQANCHMSA-N 344.414 4.505 0 50 EJAA Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cccc1 1324298977 QTTUAUDWBZAJMY-AEFFLSMTSA-N 338.476 4.519 0 50 EJAA C[C@H](N[C@@H](C)[C@H](O)C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875339230 XPASQPYHKCSWOB-HOIFWPIMSA-N 338.495 4.729 0 50 EJAA O=C(O)Cc1csc(-c2cccc(-c3ccc(Cl)s3)c2)n1 2325877768 ZLPWUIFYXJSJMJ-UHFFFAOYSA-N 335.837 4.819 0 50 EJAA CCOc1ccccc1N1CCN(Cc2ccc(C(C)C)cc2)CC1 282759 BLOBVCBMMRAYAW-UHFFFAOYSA-N 338.495 4.531 0 50 EJAA CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O 1394525 CVEKVYYXCUMZNZ-WBVHZDCISA-N 337.847 4.667 0 50 EJAA O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 2048793 RBPTUBVRUOCUON-UHFFFAOYSA-N 344.819 4.775 0 50 EJAA CCc1cn[nH]c1C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 67872169 KIOWYJCYNXBKTQ-UHFFFAOYSA-N 340.858 4.558 0 50 EJAA COc1ccc2c(c1)CCC1=C2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 71770705 AIKNAHJIAYHCSY-NJYVYQBISA-N 326.436 4.537 0 50 EJAA CCOC(=O)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 74937988 QUYPUMOEQHJTTM-UHFFFAOYSA-N 339.416 4.566 0 50 EJAA in-vitro CCn1ccnc1-c1cccc(NC(=O)c2ccc(SC)cc2)c1 157184735 CDPNZLBEVVPQIZ-UHFFFAOYSA-N 337.448 4.544 0 50 EJAA CCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(C)c1 225497774 LCGBDOCZOVESML-GOSISDBHSA-N 326.827 4.736 0 50 EJAA FC(F)(F)Oc1ccc(NCc2ccccc2)c(Br)c1 230532145 RVBCRKFKMNOBTM-UHFFFAOYSA-N 346.146 4.960 0 50 EJAA COc1c(Cl)cccc1-c1noc(-c2cnc3sccc3c2)n1 1875334358 KZPVKYLVBQNIHG-UHFFFAOYSA-N 343.795 4.675 0 50 EJAA Cc1nc(Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cc(-c2ccco2)n1 1875354158 BRSABHSYNLIEPH-JTQLQIEISA-N 338.338 4.666 0 50 EJAA CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1 125095 NODFKJQPMQLRSP-UHFFFAOYSA-N 335.475 4.732 0 50 EJAA Cc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 2669173 BIMVDHDGEUJHAB-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA CN(C)c1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 4759537 SXJVNQSLQOPVNI-UHFFFAOYSA-N 344.458 4.595 0 50 EJAA Cc1ccc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4833018 HOGSCRPXEXSVSK-ZIUDEIKKSA-N 329.509 4.561 0 50 EJAA Cc1cc2c(cc1C)N(Cc1ccccc1Cl)C1=NCCCN12 5043460 YBJMPZALLZZPKJ-UHFFFAOYSA-N 325.843 4.543 0 50 EJAA Cc1ccc(C)c([C@@H](C)NC(=O)Nc2ccccc2Br)c1 13746037 TZHLFPZSSRYMDG-CYBMUJFWSA-N 347.256 4.949 0 50 EJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 15063430 PPVHJHDKNGAAMB-GOSISDBHSA-N 328.481 4.588 0 50 EJAA CCC(=O)Nc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1C 36567001 SEMRXZWCONOMAT-UHFFFAOYSA-N 331.803 4.641 0 50 EJAA O=C(CCN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 55525083 XJRDLJPYAQCFKU-UHFFFAOYSA-N 329.443 4.962 0 50 EJAA C[C@H](NCCc1nc(-c2ccncc2)cs1)c1ccc2c(c1)CCC2 358057319 FWCAOTXYRRUDDE-HNNXBMFYSA-N 349.503 4.587 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)o1 1875258919 OAGVBTMPQNWZQU-LQGILXLPSA-N 325.408 4.681 0 50 EJAA CCc1ccc([C@@H](CN[C@@H]2CCc3ccsc32)N(CC)CC)cc1 1875387980 IJNSKAXLNQVYOB-WOJBJXKFSA-N 342.552 4.971 0 50 EJAA Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc12 78017 SEXCCCZJEBLVFM-UHFFFAOYSA-N 349.169 4.627 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(Br)c1 129383 QFKMPIPGJQCAIT-RMKNXTFCSA-N 336.616 4.754 0 50 EJAA Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl 150815 WVEAECCTPHJIKY-GJZGRUSLSA-N 331.843 4.602 0 50 EJAA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1 265186 HZNNDORNHGSURB-HXUWFJFHSA-N 334.346 4.607 0 50 EJAA CCc1c(C)sc(NC(=O)c2cccc(F)c2)c1C(=O)OC(C)C 375499 FGQWCRYUIHYMQW-UHFFFAOYSA-N 349.427 4.576 0 50 EJAA COC(=O)c1cc(C(=O)OC)c(-c2ccccc2)c(-c2ccccc2)c1 393039 RIXOWWKNFPOMBF-UHFFFAOYSA-N 346.382 4.594 0 50 EJAA COCCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1904942 OLSSRKIIWAFYER-UHFFFAOYSA-N 335.451 4.653 0 50 EJAA Cc1cc(C)c(OCCCN2CCC[C@@H](C)C2)c(Br)c1 2822488 VAESAOPTTWVSLB-CYBMUJFWSA-N 340.305 4.567 0 50 EJAA CC(C)CC(=O)Nc1cccc2c(NC(=O)CC(C)C)cccc12 4869307 JWLFNTXRVZZUEW-UHFFFAOYSA-N 326.440 4.809 0 50 EJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2c1 6244291 BPWDXVXLRMKNRP-UHFFFAOYSA-N 331.293 4.991 0 50 EJAA Cc1ccccc1-c1cn[nH]c1C1CCN(Cc2ccccc2)CC1 11785022 YIHNDXIIGXNESZ-UHFFFAOYSA-N 331.463 4.765 0 50 EJAA O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1 13616716 AJIYEOABHGCCAA-FLIBITNWSA-N 341.370 4.542 0 50 EJAA C[C@H]1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 16247621 XLYSZANINBJJJD-GASCZTMLSA-N 339.907 4.516 0 50 EJAA CCOc1cc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)ccc1O 381208 FAEVSFGYUYHIRA-KRWDZBQOSA-N 333.387 4.684 0 50 EJAA CCOc1ccccc1Nc1nc(-c2cccnc2)nc2ccccc12 459096 MFSIGFVWWSBRPY-UHFFFAOYSA-N 342.402 4.834 0 50 EJAA O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1-c1ccccc1 1293763 JWFKCKHXCWRVDN-UHFFFAOYSA-N 336.441 4.777 0 50 EJAA Cc1ccc2c(c1)CCCN2C(=O)c1csc2c1CC[C@@H](C)C2 1460321 VVKPTLHCNAWMNH-CQSZACIVSA-N 325.477 4.774 0 50 EJAA COc1cccc(OCCOc2cccc(Oc3ccccc3)c2)c1 2994667 LKHFLEFRKOPQHH-UHFFFAOYSA-N 336.387 4.945 0 50 EJAA O=C(c1c[nH]c2ccccc12)[C@H](CN1CCCCC1)c1ccccc1 71770260 AHVIYSFSUDWFJQ-HXUWFJFHSA-N 332.447 4.620 0 50 EJAA O=C(CCc1ccccc1F)Nc1cnccc1-c1cccc(F)c1 253393737 FVXRADFSUJJBMY-UHFFFAOYSA-N 338.357 4.598 0 50 EJAA Cn1ccc2cc(NC(=O)C[C@H](c3ccsc3)n3cccc3)ccc21 263588386 SSFIMFRAQHYXAB-LJQANCHMSA-N 349.459 4.660 0 50 EJAA CCCC[C@H](NC1CCN(c2ccccc2F)CC1)c1cccnc1 952977994 RUSPPHMJESXCRP-FQEVSTJZSA-N 341.474 4.711 0 50 EJAA O=C(Nc1nc2ccc(F)cc2s1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1775976138 KAZALZGXUHNVTH-OLZOCXBDSA-N 346.814 4.831 0 50 EJAA CC1(C)CCC([C@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 2325842354 VSWSXHPTRPJZNK-JOCHJYFZSA-N 329.528 4.622 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(F)c1 373843 UPZFGIRRLMMWHK-QMMMGPOBSA-N 346.160 4.678 0 50 EJAA Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(Cl)c1 458086 AYMFZZDWHYNXOH-UHFFFAOYSA-N 327.855 4.743 0 50 EJAA Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)c(C)c1 474256 OACVTAUJPIEJME-UHFFFAOYSA-N 326.396 4.818 0 50 EJAA CSc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C=O)cc1 732216 DPBLBJRALIPQSA-UHFFFAOYSA-N 328.824 4.727 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1C 2835726 RGHCDFSPNDUOCK-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1F 2874909 DTTQYUASGMYREQ-UHFFFAOYSA-N 342.197 4.930 0 50 EJAA CCc1cccc(C)c1NC(=O)c1ccc(CN2CCCCC2)cc1 10371991 SBRHVBKPYIMPFL-UHFFFAOYSA-N 336.479 4.796 0 50 EJAA CC(=O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)s1 72149026 UIZSJCYRZZGELQ-UHFFFAOYSA-N 348.431 4.501 0 50 EJAA C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1 153883703 NZRSXERJELVYRD-MLGOLLRUSA-N 349.356 4.715 0 50 EJAA Cc1cccc(C(=O)N2N=C(c3ccsc3)C[C@H]2c2ccco2)c1 170618189 XUQNZPDJNHXCCD-KRWDZBQOSA-N 336.416 4.641 0 50 EJAA O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccoc1Cl 192257320 QXXGFVDPIUQXJS-UHFFFAOYSA-N 339.222 4.829 0 50 EJAA Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@@H]1CC=CC[C@H]1C 253416145 AKBOSLKMOGYXMV-UKRRQHHQSA-N 339.439 4.709 0 50 EJAA CC[C@@H]1C=CCN1C(=O)c1cccc(-c2cnc(C(C)C)s2)c1 534637747 NVDYTMQBHYSPAJ-MRXNPFEDSA-N 326.465 4.724 0 50 EJAA CCOc1ccccc1C(=O)Nc1cccc(-c2csc(C)n2)c1 387113 HDXNHQMYDCGFPP-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA Cc1cccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 398043 YLHQLKAPYHTVRF-UHFFFAOYSA-N 330.387 4.870 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)CSc1cccc2cccnc12 446406 VWTDPMKMEIFSAA-UHFFFAOYSA-N 342.851 4.927 0 50 EJAA O=C(NCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 476566 VALZOLWZLFOEOA-GOSISDBHSA-N 339.485 4.898 0 50 EJAA COc1ccccc1[C@@H]1CC(=O)C[C@H](c2ccccc2OC)S1 12570432 CCKUEZLYUSXWIK-KDURUIRLSA-N 328.433 4.582 0 50 EJAA Cc1ccc([C@H](C)CCN2CCN(c3ccc(Cl)cc3)CC2)o1 22077676 ADEVJISDHAEHLY-OAHLLOKOSA-N 332.875 4.557 0 50 EJAA O=C(c1ccccc1)N(Cc1ccccc1)[C@H]1C[C@H]1c1ccccc1 22781635 QUVSDQMSXPVLJB-VXKWHMMOSA-N 327.427 4.885 0 50 EJAA COc1ccc(CN2CCCC2)cc1Oc1cnc2ccccc2c1 67773949 PZEDHECVIAVJQN-UHFFFAOYSA-N 334.419 4.632 0 50 EJAA Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3C3CCC3)c2)n1 121235654 GZUXUFKMVYVJDO-GOSISDBHSA-N 339.439 4.755 0 50 EJAA CC[C@H](C)N(C[C@H](O)c1cccn1Cc1ccccc1F)[C@@H](C)CC 201035613 FXQMNNHPOYWWKI-FIKGOQFSSA-N 346.490 4.608 0 50 EJAA CCO[C@]12c3ccccc3O[C@@H](c3ccccc3)[C@H]1C2(Cl)Cl 229941641 TUHXFTQSJNJHPZ-GVDBMIGSSA-N 335.230 4.856 0 50 EJAA COC[C@H]1CCCN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC1 857531499 INDJZUYNRWLYBA-IBGZPJMESA-N 345.527 4.582 0 50 EJAA Cc1cc(C=Cc2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)ccc1F 1857527753 WLYPVZPBXPRZFG-YOEHRIQHSA-N 330.403 4.606 0 50 EJAA Nc1nc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)ns1 1099715 IRYHHEKUUCURIC-ZDUSSCGKSA-N 333.869 4.655 0 50 EJAA CCOc1cccc(OCCOc2cc(Cl)ccc2Cl)c1 2983805 RZZWXMVAKRNNEF-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA COc1ccc(Nc2nc(-c3c(C)nc4sccn34)cs2)cc1 3998375 YYYAGFCFCHCRAN-UHFFFAOYSA-N 342.449 4.580 0 50 EJAA CN(Cc1ccccc1)C(=O)c1ccc(COc2ccccc2)cc1 6700766 XVJWBRINHNCMOK-UHFFFAOYSA-N 331.415 4.538 0 50 EJAA COc1ccc([C@@H]2CC(=O)c3c(-c4ccccc4)ccnc3C2)cc1 12420630 FJWBJUVJUCBRPK-KRWDZBQOSA-N 329.399 4.670 0 50 EJAA Cc1ccc(NCc2cnc3ccccc3c2)cc1C(=O)N(C)C(C)C 278816038 SVYRJNZWQSRQJL-UHFFFAOYSA-N 347.462 4.636 0 50 EJAA Cc1ccc2nc([C@H]3CCCN3c3ncnc4scc(C)c34)[nH]c2c1 665706151 ZQZQMBLBTYWOIZ-OAHLLOKOSA-N 349.463 4.526 0 50 EJAA Cc1c(O)nc2ccccc2c1C(=O)N[C@@H](C)c1cccc(C2CC2)c1 820884063 WMTZUSVUUNVKFH-AWEZNQCLSA-N 346.430 4.617 0 50 EJAA Cc1cc(C)c2ccc(C(=O)Nc3cc(C)nn3[C@@H](C)C3CC3)cc2n1 1506404290 ZDBBBOFZSJZHFU-HNNXBMFYSA-N 348.450 4.580 0 50 EJAA O=C(N[C@@H](c1cccs1)C1CC1)c1csc(-c2ccsc2)n1 1875254754 XGPJFFUOLWTMDK-CQSZACIVSA-N 346.502 4.814 0 50 EJAA CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1nccc(F)c1Cl 2325826817 NFLWYZDIKYSOKA-MRXNPFEDSA-N 347.865 4.587 0 50 EJAA CCc1cc(=O)oc2cc(OCc3ccccc3F)c(Cl)cc12 302329 CUUNIRXJIKNQDG-UHFFFAOYSA-N 332.758 4.727 0 50 EJAA C[C@H](c1nc2ccccc2n1C)C(O)(c1ccccc1)c1ccccc1 305394 PICOWFNAWPONSI-QGZVFWFLSA-N 342.442 4.613 0 50 EJAA CCCC(=O)Nc1ccccc1NC(=O)c1cccc2ccccc12 496781 GTJMANAOZVUVRF-UHFFFAOYSA-N 332.403 4.831 0 50 EJAA CCCOc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 2846211 SQYIUYQMHHCJBE-UHFFFAOYSA-N 347.842 4.627 0 50 EJAA CCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 3122160 FKAZACXXFMQQFZ-UHFFFAOYSA-N 325.408 4.760 0 50 EJAA Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)ccc1Cl 5680012 ZXEZRLNTVCVSDN-NSHDSACASA-N 346.839 4.664 0 50 EJAA CC(C)=CCN1CCC[C@@H](c2[nH]ncc2-c2cc(F)ccc2F)C1 11912259 KUTXTNKUJILMOZ-CQSZACIVSA-N 331.410 4.501 0 50 EJAA Cc1ccc2c(Cl)c(C(=O)N[C@H](C)c3ccncc3)sc2c1 16604993 MWVOJQJBBYSYPN-LLVKDONJSA-N 330.840 4.749 0 50 EJAA CN(C)Cc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 67434546 IVYHLNVOVZVQRZ-UHFFFAOYSA-N 330.737 4.608 0 50 EJAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNc3cnccn3)cc12 71415538 CPEYGXPOMATOSE-UHFFFAOYSA-N 332.382 4.685 0 50 EJAA CC(C)c1ccc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)cc1 95516598 UKXGDMHZNZQCPR-IBGZPJMESA-N 339.483 4.607 0 50 EJAA Cc1cccc(F)c1NC(=O)N(Cc1c(F)cccc1F)C1CC1 252492226 MGANJPGBQSIRIV-UHFFFAOYSA-N 334.341 4.609 0 50 EJAA CCO[C@@H](C)c1ncc(C(=O)N(CC)c2ccccc2Cl)s1 408513044 PYKZSHRIIWMHCT-NSHDSACASA-N 338.860 4.561 0 50 EJAA O=C1C(Nc2ccccc2)=C[C@@H](c2ccccc2F)N1c1ccccc1 35084 VZUHRYUJXRMROA-NRFANRHFSA-N 344.389 4.910 0 50 EJAA CSc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cc(O)c12 50242 IJRMYBWSAIGXMI-UHFFFAOYSA-N 345.427 4.786 0 50 EJAA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)cc1 104532 WGVPYFFGUONXIF-HXUWFJFHSA-N 332.378 4.905 0 50 EJAA COc1ccc2c(Cl)c(C(=O)n3cnc4ccccc43)sc2c1 119489 MMXNYGPGDGHEFS-UHFFFAOYSA-N 342.807 4.602 0 50 EJAA O=c1oc2cc(OCc3ccc(F)cc3Cl)ccc2c2c1CCC2 186450 XGHJMDUOBPGGGK-UHFFFAOYSA-N 344.769 4.653 0 50 EJAA Cc1nc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc1C 474160 GXFNYDHEIOFNBV-GQCTYLIASA-N 327.236 4.719 0 50 EJAA C[C@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)C[C@H](C)O1 614162 OYAYKHLEMQYGQU-KBPBESRZSA-N 340.448 4.519 0 50 EJAA O=C(N(c1ccccn1)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 3878750 YKJZDCOCXXQGRU-UHFFFAOYSA-N 338.495 4.964 0 50 EJAA CCOc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1 4159340 LXCUVTZSKBTFBP-UHFFFAOYSA-N 326.421 4.564 0 50 EJAA Cc1cccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)c1 5059867 JEJCMLHRICIYGR-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 36380524 PQCRZWCSVWBYSC-DRJBRKBZSA-N 328.452 4.570 0 50 EJAA biogenic CC1(C)C(C(=O)c2cn(CCCCCO)c3ccccc23)C1(C)C 45255243 AFWBYMXUEMOBRP-UHFFFAOYSA-N 327.468 4.669 0 50 EJAA in-vitro Fc1c(CN2CCCC2)cccc1Oc1ccc(-c2ccccc2)nn1 67785010 NQGWFZHPPLWJKY-UHFFFAOYSA-N 349.409 4.671 0 50 EJAA O=C(c1ccc(NCc2ccc(F)cc2F)cc1)N1CCCCCC1 170615606 QACUSDSLYWJPOH-UHFFFAOYSA-N 344.405 4.593 0 50 EJAA Cc1cncc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 408514354 ZKDZSGMHWPBTFS-FQEVSTJZSA-N 337.854 4.512 0 50 EJAA Cc1ccccc1C1CCN(Cc2cnc(O)c3ccccc23)CC1 1169101807 HEUMLEDCCDRROC-UHFFFAOYSA-N 332.447 4.628 0 50 EJAA CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc21 55079 LZJDHKWIGJESRE-UHFFFAOYSA-N 341.476 4.694 0 50 EJAA Cc1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 3892452 BPBHNKUFSGSUDK-UHFFFAOYSA-N 340.806 4.823 0 50 EJAA c1ccc(CNCc2cn(Cc3ccccc3)c3ccccc23)cc1 4173596 HKRRTKQXCGUSQX-UHFFFAOYSA-N 326.443 4.979 0 50 EJAA CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@H]2c2c1ccc1ccccc21 4520478 VAZRPGPBFIBQRT-JKRGVENSSA-N 335.447 4.763 0 50 EJAA CCc1cccc(C)c1NC(=O)COc1cccc(Cl)c1Cl 4841745 GFXMVYJRBQITED-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA COc1ccc(CN2CCC(C)CC2)cc1OCc1ccccc1 4988834 VPCHWVDOCCVZNU-UHFFFAOYSA-N 325.452 4.506 0 50 EJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1 5063618 AJXHAEFFOOFGTL-UHFFFAOYSA-N 338.495 4.832 0 50 EJAA Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1C 17072343 SJDOBMLLZYUFAE-UHFFFAOYSA-N 348.324 4.951 0 50 EJAA Cc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1C 19537213 WKUGTORSHCENIM-UHFFFAOYSA-N 330.475 4.779 0 50 EJAA c1cc(C2CCN(Cc3ccc([C@@H]4CCCCO4)s3)CC2)ccn1 72428462 KWZNPPKAQQTKME-IBGZPJMESA-N 342.508 4.764 0 50 EJAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225717079 WQDMUCOZHKSZFI-PRTQVNTJSA-N 343.470 4.945 0 50 EJAA C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1c1ccsc1 252265773 OLBBZAMRFQROGV-YPMHNXCESA-N 331.466 4.758 0 50 EJAA COc1ccc(CN(C)[C@@H](C)c2cccs2)cc1CN1CCCC1 952965464 DPURPHJMOCQIDV-INIZCTEOSA-N 344.524 4.546 0 50 EJAA O=C(Nc1cccnc1Oc1ccccc1F)c1ccc2[nH]ccc2c1 1875249231 NJFMQPFSUTWZDM-UHFFFAOYSA-N 347.349 4.747 0 50 EJAA CC1(C)C[C@@H](O)c2cc(NCc3conc3Cc3ccccc3)ccc21 1875391771 CMLLXTNTHNVTDC-OAQYLSRUSA-N 348.446 4.592 0 50 EJAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1F 46476 JYFXGIKONLHFIA-SNVBAGLBSA-N 342.197 4.847 0 50 EJAA CCOc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 142920 SOSWXODAEIJOCF-UHFFFAOYSA-N 325.437 4.712 0 50 EJAA CC(=O)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)cc1 148548 WYOMTOZFLSRAIB-UHFFFAOYSA-N 346.382 4.541 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Br 254945 CICQVRULEXWWCJ-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1C 304142 LWVISLFEZXMFKL-UHFFFAOYSA-N 337.202 4.650 0 50 EJAA Cc1ccc(Nc2nc([C@@]3(C)C[C@H](C(C)C)C(=O)O3)cs2)cc1 345734 GZCFSMSWTAJCGE-RDTXWAMCSA-N 330.453 4.629 0 50 EJAA Cc1cc(C)n(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)n1 431664 QISDQQXGXYHSHQ-UHFFFAOYSA-N 326.403 4.613 0 50 EJAA O=C(CSc1ccccn1)Nc1ccc(Oc2ccccc2)cc1 473944 WZYRQEDBTBQXOJ-UHFFFAOYSA-N 336.416 4.605 0 50 EJAA CCCCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl 2728606 CGRSLVXFECRZMK-UHFFFAOYSA-N 332.271 4.801 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)O)cc1 4990842 WAPVWRKIDOIEAY-UHFFFAOYSA-N 345.398 4.546 0 50 EJAA Cc1ccc(N[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1C 12449478 GPTCRRIBPCFISA-KRWDZBQOSA-N 341.430 4.551 0 50 EJAA c1ccc(C(c2ccccc2)c2noc(CN3CCCCCC3)n2)cc1 12473407 DFEFNUUOLOANPU-UHFFFAOYSA-N 347.462 4.626 0 50 EJAA C=C[C@](C)(C[C@@H](OC)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C)C(=O)CC 43762387 ANCHGALOVXDQRM-STCFGPAYSA-N 332.484 4.659 0 50 EJAA CC(C)[C@H](NC[C@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 170066031 KPLQFLFKLDPIEF-ZHRRBRCNSA-N 348.446 4.846 0 50 EJAA CCCCc1ccc(NC(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)cc1 1704344959 REYJZAVDGYSPNO-CTNGQTDRSA-N 344.499 4.842 0 50 EJAA O[C@@H](CNCc1cccc2ccsc12)c1csc2ccccc12 2325869997 FNTLWLBRLDHDQC-KRWDZBQOSA-N 339.485 4.939 0 50 EJAA CC(C)CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 98514 RZELURPJKWAUIQ-UHFFFAOYSA-N 332.856 4.825 0 50 EJAA Cc1cccc2sc(NC(=O)c3ccccc3Br)nc12 190902 SSLADOUCNOKNFX-UHFFFAOYSA-N 347.237 4.620 0 50 EJAA CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 205098 PQRIBBROUGDEIB-UHFFFAOYSA-N 349.478 4.894 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)Oc1ccc(F)cc1 1904119 SXBNLXRIPJIQDT-UHFFFAOYSA-N 343.181 4.897 0 50 EJAA C[C@@H](Nc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1 96901208 IVHLLLANKSUTQN-MRXNPFEDSA-N 332.451 4.793 0 50 EJAA CC(C)c1nc(CN(C)Cc2ccc([C@@H]3CCCO3)s2)cs1 214973174 FTQSHAJBOZURNI-HNNXBMFYSA-N 336.526 4.812 0 50 EJAA O=C(C[C@H]1CCCC1(F)F)Nc1n[nH]c(C2CC2)c1-c1ccccc1 828300640 ZXNWELQLWCTIPA-CQSZACIVSA-N 345.393 4.718 0 50 EJAA CCOc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 35593 MXKLCOKFQSDIRL-UHFFFAOYSA-N 332.812 4.601 0 50 EJAA O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 273371 GGBBLAQOOYBUTF-UHFFFAOYSA-N 344.370 4.512 0 50 EJAA CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCC1 355261 ILOGLBUQADZRNT-UHFFFAOYSA-N 343.448 4.719 0 50 EJAA Cc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 396265 CCUAUPRDUUYEBX-NRFANRHFSA-N 330.383 4.776 0 50 EJAA COc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1OCc1ccccc1 4987712 RVJRKJHWOFRELA-HDICACEKSA-N 339.479 4.752 0 50 EJAA COc1ccc(-n2nc(C)c3c(C(F)F)cc(C4CC4)nc32)cc1 20602828 SLEUFVMSXYXAPU-UHFFFAOYSA-N 329.350 4.553 0 50 EJAA C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 245265403 GWNYATQURCVOGA-SAJDGTNDSA-N 347.543 4.767 0 50 EJAA biogenic Cc1ccccc1C(=O)N1N=C(c2ccccc2C)C[C@@H]1c1ccco1 408525621 JYGIUDNFAGZZPQ-HXUWFJFHSA-N 344.414 4.888 0 50 EJAA CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1 129271 UMZCDHSHKOMDPM-UHFFFAOYSA-N 347.256 4.548 0 50 EJAA COc1cccc([C@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)c1 432067 UBMHPHNAKMZGGG-PMACEKPBSA-N 336.431 4.811 0 50 EJAA COc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 433827 QHODNJPBSUFFIC-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c(Cl)c1 443248 VTDGWCGVSSRAKI-INIZCTEOSA-N 335.234 4.970 0 50 EJAA O=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 455041 AHSMXACOKJVXDS-UHFFFAOYSA-N 341.204 4.994 0 50 EJAA CCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1172632 BEPGIOMMGIGEOL-HNNXBMFYSA-N 325.452 4.874 0 50 EJAA COC(=O)c1cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1 1392858 SHYKZNHWZAKOBE-UHFFFAOYSA-N 345.807 4.594 0 50 EJAA c1ccc(CCNc2nnc(-c3ccccc3)c3ccccc23)cc1 4974142 NGJADZVEKVBRHM-UHFFFAOYSA-N 325.415 4.951 0 50 EJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 36620360 FUMARGVNVUTPNI-KRWDZBQOSA-N 348.805 4.857 0 50 EJAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 64985119 LDMQFTOMMYKCDS-HNNXBMFYSA-N 333.819 4.820 0 50 EJAA CCCC[C@@H]1C=CCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82087208 CRLMMSNKSJHYHD-LJQANCHMSA-N 345.446 4.572 0 50 EJAA COC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1Cl 97757031 BBTRWWFYVLHOHM-UHFFFAOYSA-N 330.689 4.692 0 50 EJAA CCCCc1nc2ccccc2n1Cc1ccc([C@@H](C)C(=O)O)cc1 1776004776 XHFUHGQHMAKMCP-OAHLLOKOSA-N 336.435 4.615 0 50 EJAA Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1C 298887 VPIXPZIEJOMDQJ-UHFFFAOYSA-N 325.191 4.595 0 50 EJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 1124691 QMHMTFICJMXDQP-INIZCTEOSA-N 329.484 4.758 0 50 EJAA COc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 4911598 DGLNIYHTMUWARP-MRXNPFEDSA-N 337.806 4.976 0 50 EJAA CCc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1 5041461 VIPZASGAGWISNI-UHFFFAOYSA-N 339.508 4.960 0 50 EJAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccc(C)cc3)c2C)cc1 13331664 NQPCLPXWQKAWPP-UHFFFAOYSA-N 348.450 4.809 0 50 EJAA Oc1cc(-c2cccs2)cc2c1OCCN(C[C@H]1CC=CCC1)C2 14992031 DNJWACSLKAUOLA-HNNXBMFYSA-N 341.476 4.671 0 50 EJAA Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3Cl)[nH]n2)cc1 22184795 XMRYNIWPNPPDQO-UHFFFAOYSA-N 346.217 4.944 0 50 EJAA Cc1ccc(NC(=O)CC[C@@H](C)CC(=O)Nc2ccc(C)cc2)cc1 25539749 VLXNSUNHZWFUJP-QGZVFWFLSA-N 338.451 4.687 0 50 EJAA Cc1ccc(-c2cc(Br)nc(Nc3ccccc3)n2)cc1 225519287 JWTGFSQSLLFAQZ-UHFFFAOYSA-N 340.224 4.958 0 50 EJAA CCO[C@@H](C)c1nc(CN2CCC[C@H]2c2ccc(C)c(C)c2)cs1 239619622 BFVQJOPRDLKUOZ-LPHOPBHVSA-N 344.524 5.195 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 253498266 FDCINQSOYQUNKB-PFADJMCTSA-N 332.484 4.530 0 50 EJAA Cc1ccc(-c2nccn2CCCC[C@@H]2CCCO2)c2cccnc12 1857686826 DOHCQVTUZLHVOE-QGZVFWFLSA-N 335.451 4.756 0 50 EJAA CCN(C(=O)Cc1noc2cc(C)c(Cl)c(C)c12)c1ccccc1 1857798120 PRIUIRVAPXSSFI-UHFFFAOYSA-N 342.826 4.694 0 50 EJAA Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C)cc1 121410 NQDLWWKEAPRXNA-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA COc1ccc(C(=O)c2ccc(Br)cc2)c2ccccc12 245001 XFSUUMJVZGWJMH-UHFFFAOYSA-N 341.204 4.842 0 50 EJAA Cc1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 457644 PUQBAJMHTFYLDT-UHFFFAOYSA-N 334.400 4.969 0 50 EJAA COc1ccc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)c1 494838 LCFRBKQFTSNREO-UHFFFAOYSA-N 330.771 4.545 0 50 EJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1 519982 RPLBYGPCGJRPFT-HNNXBMFYSA-N 329.469 4.599 0 50 EJAA Cc1cc(C)c(NC(=O)CSc2ccc3ccccc3n2)c(C)c1 5627482 NLOJMLBGCVOVLV-UHFFFAOYSA-N 336.460 4.891 0 50 EJAA Cc1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)co1 22538406 MLLAQDGXDALSEZ-UHFFFAOYSA-N 328.755 4.681 0 50 EJAA CCCCCOc1ccc(/C=C\c2cccc(O)c2C(=O)O)cc1 58563493 JZTUSBQKQHUSQE-FLIBITNWSA-N 326.392 4.830 0 50 EJAA in-vitro Cc1cc(C(=O)N(C)Cc2csc(-c3cccs3)n2)cs1 72421821 PXUDYEMRPSNCRS-UHFFFAOYSA-N 334.491 4.514 0 50 EJAA CO[C@@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc23)cs1 170598285 SRLFTJVECPNMHK-LBPRGKRZSA-N 346.427 4.734 0 50 EJAA CN(C(=O)CC1(O)CCCCC1)c1ccc(Oc2ccccc2)cc1 170626705 RNHAPWHNQWHFDR-UHFFFAOYSA-N 339.435 4.527 0 50 EJAA COc1ccccc1-c1ncc(C(=O)N[C@]2(C)CCCC2(C)C)s1 2325829026 YNRXPHFCSZJXGN-LJQANCHMSA-N 344.480 4.517 0 50 EJAA CCn1c(CSc2nc3ccccc3s2)nc2ccccc21 120265 FSNNDSGFFABAIQ-UHFFFAOYSA-N 325.462 4.958 0 50 EJAA CCOc1ccc(C(=O)Nc2ccccc2CC)cc1Br 310409 IQDSXWJHUAANEC-UHFFFAOYSA-N 348.240 4.663 0 50 EJAA CCCN1C(=O)c2ccccc2N[C@@H]1c1c(Cl)cccc1Cl 443376 UBPXZXYVRIPKBU-INIZCTEOSA-N 335.234 4.970 0 50 EJAA Brc1ccc(-c2noc(CSc3ccccc3)n2)cc1 472168 ZVLZWXRMRADWAQ-UHFFFAOYSA-N 347.237 4.791 0 50 EJAA CC(C)(C)c1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 2742600 NBUQEHYQUDOFJQ-UHFFFAOYSA-N 343.295 4.932 0 50 EJAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 3991820 LGZGHUVEDHZYFL-UHFFFAOYSA-N 337.400 4.695 0 50 EJAA Cc1cc2[nH]/c(=N/C(=O)Nc3ccc(Cl)cc3)sc2cc1C 17123806 RKZFWZIHNABMML-UHFFFAOYSA-N 331.828 4.632 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(C)ccc1C 33270608 QIJZCTMBTWOFAX-MRXNPFEDSA-N 327.428 4.531 0 50 EJAA c1ccc(N2N=C(c3cccs3)C[C@H]2c2ccc3c(c2)OCO3)cc1 39959745 XAJBJNBVEYEAKF-KRWDZBQOSA-N 348.427 4.833 0 50 EJAA CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCCCN)CCC[C@@]21C 44124503 IVASDPGLHXNPTQ-VJBWXMMDSA-N 342.571 4.759 0 50 EJAA CSCCc1c(-c2ccccc2)ncn1[C@H](C)c1csc(C)n1 65373139 ANPMBJVQVHMJTM-CYBMUJFWSA-N 343.521 4.830 0 50 EJAA COc1ccc(/C=C(/C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)cc1 105239611 INBRIWJLYGLCAS-LQMHGZNBSA-N 347.458 4.541 0 50 EJAA CC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C(F)(F)F)c1 150782289 WCKRQYJMXDMKSQ-UHFFFAOYSA-N 341.716 4.814 0 50 EJAA CCc1nc(C)c([C@@H](C)N(C)Cc2csc(C(C)(C)C)n2)s1 170639764 VJNHMBYHUPQFEZ-GFCCVEGCSA-N 337.558 4.961 0 50 EJAA CCc1nnc([C@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)o1 170644314 XEULMWADCDKIIN-ZDUSSCGKSA-N 334.423 4.933 0 50 EJAA c1nc(Oc2ccc(C3SCCS3)cc2)c2sccc2n1 198106589 QCEALGAHZAHIKL-UHFFFAOYSA-N 332.475 4.962 0 50 EJAA CCCCOc1ccc([C@H](C)N[C@@H](C)c2cc(C)on2)cc1OC 225735061 KKXLUBLJXBRZLL-GJZGRUSLSA-N 332.444 4.582 0 50 EJAA CCOc1ccc(CN2CC[C@@H]2c2cccc(OC)c2)cc1Cl 823383242 WJBUYQVKOSGXSS-GOSISDBHSA-N 331.843 4.694 0 50 EJAA Cc1cc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)cc(C)n1 1435349766 DQLDKSQJGFEKLF-UHFFFAOYSA-N 334.463 4.558 0 50 EJAA Cc1noc(C)c1C[C@H](C)C(=O)Nc1cccc(-c2ccccc2)c1 1875257265 ITSATHJAXKEGEY-AWEZNQCLSA-N 334.419 4.776 0 50 EJAA O=C(NCc1ccco1)c1sc2cc(Cl)ccc2c1Cl 297942 ZDLCQOGHXUQJOX-UHFFFAOYSA-N 326.204 4.731 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 359332 PRWQEKYUFOPWTO-UHFFFAOYSA-N 328.843 4.891 0 50 EJAA O=C(CSCc1nc2ccccc2[nH]1)Nc1ccc2ccccc2c1 446311 UCPAPCWOXXMNFC-UHFFFAOYSA-N 347.443 4.588 0 50 EJAA aggregator COc1ccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 508823 GBCPJTYAELQVKH-UHFFFAOYSA-N 347.823 4.824 0 50 EJAA CC(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 613015 GQXSBFWEFDIJIM-UHFFFAOYSA-N 329.399 4.737 0 50 EJAA O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1cccs1 858610 RNFCDAVLOATCEH-UHFFFAOYSA-N 348.379 4.741 0 50 EJAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccco1 2884878 ANWGELFMPTZVER-UHFFFAOYSA-N 338.329 4.541 0 50 EJAA CC[C@@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1 2983710 OGCMXNUPWYATPW-QGZVFWFLSA-N 344.451 4.683 0 50 EJAA CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 36621181 QTGQRSMFXKIIFH-KRWDZBQOSA-N 328.387 4.593 0 50 EJAA COc1cccc([C@@H]2CCCCN2C(=O)c2cccc3c2ccn3C)c1 82098524 FEGCVHPAVAKALA-FQEVSTJZSA-N 348.446 4.554 0 50 EJAA Cc1ccc2cc(C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)[nH]c2c1 170630458 ZKSDOAODLOEQBN-OAQYLSRUSA-N 347.462 4.520 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 1875260368 AFHWPWMHXSWCOJ-UHFFFAOYSA-N 340.329 4.713 0 50 EJAA O=C(N[C@H]1CCC[C@H](C(=O)O)CC1)c1csc(C2CCCCC2)c1 1875324143 JEAIWAJFNOGRQP-HOCLYGCPSA-N 349.496 4.559 0 50 EJAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)C(CC(C)C)CC(C)C 1875357304 AYQWGXGGVGPNFX-INIZCTEOSA-N 346.515 4.862 0 50 EJAA C[C@@H](NCCc1cccc(C(F)(F)F)n1)c1cccc2ncccc12 2325773924 ZYCKHRANAWRPIM-CYBMUJFWSA-N 345.368 4.542 0 50 EJAA Brc1ccccc1CN1CCC(Cc2ccccc2)CC1 291956 QGNJGCSZPBNCIE-UHFFFAOYSA-N 344.296 4.904 0 50 EJAA O=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 408611 YJZIPTRRNVTIKI-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA CC(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 468008 SRNDRRZNIJYZGZ-UHFFFAOYSA-N 332.425 4.686 0 50 EJAA FC(F)(F)c1nc(NCc2ccccc2Cl)c2ccccc2n1 32544597 NDAGWHSGDHOQCR-UHFFFAOYSA-N 337.732 4.914 0 50 EJAA Cc1ccc(NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)nn1 71757140 DMQOVIVKUZEAGB-UHFFFAOYSA-N 346.409 4.993 0 50 EJAA CC(C)c1nc(Cn2ccnc2-c2cccc3cnccc23)cs1 71761456 PWCUMAZUFZYVJK-UHFFFAOYSA-N 334.448 4.727 0 50 EJAA CSc1cccc(CN(C(=O)c2ccc3[nH]ccc3c2)C(C)C)c1 1506399001 VMPZMRQHUFLDET-UHFFFAOYSA-N 338.476 4.941 0 50 EJAA CCC[C@H](NC(=O)/C=C/c1nc(C)cs1)c1ccc(Cl)cc1 1875264280 BZMCLBOUZDMCNF-FEAKQIBJSA-N 334.872 4.776 0 50 EJAA C[C@H](Cc1ccc2c(c1)CCCC2)NCC[C@@](C)(O)C1CCCCC1 2325842482 ZUYBBYXNPXEOAT-WZONZLPQSA-N 343.555 4.807 0 50 EJAA C[C@@H]1C[C@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1 173890 FUJJYWHEWLAICE-BEFAXECRSA-N 332.403 4.872 0 50 EJAA COc1cc(Cl)c(C)cc1NC(=O)CCCOc1ccc(C)cc1 1910562 QKXVSFQIKUOOGL-UHFFFAOYSA-N 347.842 4.763 0 50 EJAA O=c1c(OCc2ccc(F)cc2)c(-c2ccco2)oc2ccccc12 1978252 KETBGMJJVHIGMN-UHFFFAOYSA-N 336.318 4.771 0 50 EJAA O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1 2815383 TWZXDYXHDFMBPI-UHFFFAOYSA-N 340.275 4.657 0 50 EJAA Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10461594 WFCVAPUBGXGKKL-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Oc1cccc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c1 71715285 GCYCYAPRMBUXMA-INIZCTEOSA-N 331.406 4.515 0 50 EJAA Clc1ccc(Cl)c([C@@H](NCc2ncccn2)c2ccccc2)c1 190398550 XLJOYUKGJIUBKF-SFHVURJKSA-N 344.245 4.663 0 50 EJAA CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccco3)o2)c1C 34989 CHOBFKIETWBHJP-UHFFFAOYSA-N 342.420 4.750 0 50 EJAA O=C(Oc1cccc(Nc2ncnc3ccccc23)c1)c1cccs1 144165 DJGZEJHCLVHBOA-UHFFFAOYSA-N 347.399 4.654 0 50 EJAA Fc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 301660 KHYQZHRIGVWYHM-UHFFFAOYSA-N 334.354 4.718 0 50 EJAA O=C(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 1115339 JFOKDVSVRVUJTI-UHFFFAOYSA-N 329.443 4.568 0 50 EJAA in-vivo Cc1ccc2oc(=O)n(Cc3ccccc3OCc3ccccc3)c2c1 2668948 UGBABFVBKPNJHM-UHFFFAOYSA-N 345.398 4.530 0 50 EJAA COc1cc(OC)c2c(C(F)(F)F)cc(-c3ccccc3)nc2c1 4541753 SLNOJJPFIQWTGZ-UHFFFAOYSA-N 333.309 4.938 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(CC)cc2)no1 64984572 WIAZVRRUFWBDJC-SFHVURJKSA-N 327.428 4.559 0 50 EJAA O=C(Nc1ccccc1Oc1ccccc1)N1CC(c2cccnc2)C1 72168322 RQMKZKKUNSSFJG-UHFFFAOYSA-N 345.402 4.505 0 50 EJAA O=c1[nH]c2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 95100008 HADOEZYYSUGOIO-UHFFFAOYSA-N 329.570 4.609 0 50 EJAA in-vitro CCOC(=O)c1c(CCCCCCCCCCO)cccc1OC 95698526 BGVDFETWDSGIRY-UHFFFAOYSA-N 336.472 4.528 0 50 EJAA CCSc1ccccc1NC(=O)NCCc1csc(C(C)C)n1 110418609 VOTWLZSFJSXRPY-UHFFFAOYSA-N 349.525 4.743 0 50 EJAA OC1(c2cccc(Br)c2)c2ccccc2-c2ccccc21 167326268 UKGUBHXRUOJAMM-UHFFFAOYSA-N 337.216 4.714 0 50 EJAA Cc1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2Cl)n1 368071512 ULQVRULRONMRRZ-LJQANCHMSA-N 342.870 4.730 0 50 EJAA COc1nc2ccccc2cc1-c1cccc(C(=O)N[C@@H](C)C(C)C)c1 534661845 OEQMGOPFDPMANU-HNNXBMFYSA-N 348.446 4.685 0 50 EJAA CCCC[C@H]1C=CCN1C(=O)c1cccc(-c2c(C3CC3)n[nH]c2C)c1 534667786 HQEGAWUCDLLDOE-IBGZPJMESA-N 349.478 4.833 0 50 EJAA O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCC2(CCC2)C1 1686473381 HVVLUCZZVTUUOR-RBUKOAKNSA-N 326.484 4.546 0 50 EJAA Cc1cc(-c2ccc(NC(=O)C3CC3)c(C)c2)ccc1NC(=O)C1CC1 142534 UYGAYJMEJSBMRS-UHFFFAOYSA-N 348.446 4.667 0 50 EJAA O=C(NC1CCCCCC1)c1cc(-c2ccco2)nc2ccccc12 442381 BYXLBHNWLMZMCS-UHFFFAOYSA-N 334.419 4.947 0 50 EJAA CCOc1ccc(NC(=O)CSCc2ccccc2Cl)cc1 444308 VUMZROPTEROICE-UHFFFAOYSA-N 335.856 4.611 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12 453840 WQBYFRIWLJYRTN-UHFFFAOYSA-N 326.367 4.772 0 50 EJAA Cc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1 4983752 IWFVTRRJLXXKDQ-UHFFFAOYSA-N 325.481 4.706 0 50 EJAA CC(C)c1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 10451623 RZVAZGPJKHOALX-HXUWFJFHSA-N 339.435 4.620 0 50 EJAA COc1ccc(CN(C(=O)C2CCC2)C2CCCC2)cc1OC(C)C 15068547 FDBBGJQGVBHKBM-UHFFFAOYSA-N 345.483 4.554 0 50 EJAA Clc1ccccc1-c1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)o1 42451724 GSOXDERMLYWHIP-AWEZNQCLSA-N 341.842 4.703 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257359014 XXSFRYVGIQYVIQ-WGEWZHFESA-N 330.512 4.761 0 50 EJAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(-c2ccccc2)cs1 263508323 MQUGAWWECAKHFH-LZQZEXGQSA-N 341.476 4.633 0 50 EJAA C/C(=C\c1ccc(C)cc1)c1nc([C@@H](C)OCC(F)(F)F)no1 896606997 QOXIIVDIZBRBSU-JATZPVMKSA-N 326.318 4.578 0 50 EJAA CCCC[C@H](COC)NC[C@H](c1ccc(F)cc1Cl)C(F)F 2325855567 GLEXQTSYHHWMCG-TZMCWYRMSA-N 337.813 4.623 0 50 EJAA O=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl 308271 PSHSWGCUZUOPBI-UHFFFAOYSA-N 329.566 4.679 0 50 EJAA Cn1c(Cc2ccccc2)nnc1SCc1ccc2ccccc2c1 469788 ZGLDIVRXPDPBBT-UHFFFAOYSA-N 345.471 4.851 0 50 EJAA CCOC(=O)c1sc(Nc2c(Cl)cccc2Cl)nc1C 550485 SIZCMXKMKRDYQG-UHFFFAOYSA-N 331.224 4.679 0 50 EJAA CCCc1cc(=O)oc2cc(OC(=O)c3cccs3)c(Cl)cc12 858666 CJPKGGWZOQDEPY-UHFFFAOYSA-N 348.807 4.680 0 50 EJAA CC(C)c1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 4113112 WMVLQAKXJXMQNL-UHFFFAOYSA-N 344.886 4.912 0 50 EJAA COc1cccc(OC)c1OCCCCOc1cccc(C)c1C 4702100 TVTGWWIROGVZOW-UHFFFAOYSA-N 330.424 4.559 0 50 EJAA CC/C=C\CCOC(=O)c1ccccc1OC(=O)Nc1ccccc1 5043076 WMXRYQJMEDAQDE-ARJAWSKDSA-N 339.391 4.811 0 50 EJAA COc1ccc(-c2cc(-c3ccc4ccccc4c3O)n[nH]2)cc1OC 6493634 ICXLGEZBHYTHDQ-UHFFFAOYSA-N 346.386 4.620 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32C=C(O)CCC2)cc1 100671116 PCKAMFUEEURWNF-UNMCSNQZSA-N 346.430 4.861 0 50 EJAA CC[C@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)N(CC)CC 170606785 PLIUMSYUMWDKLM-GOSISDBHSA-N 342.487 4.520 0 50 EJAA O[C@H](c1ccccc1)c1cccc(NCc2ccc3cc[nH]c3c2)c1 1875336933 KJTWEMONGKWHMF-JOCHJYFZSA-N 328.415 4.862 0 50 EJAA OCCc1ccc(Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 2356162667 OIEHXESEZVKBHF-UHFFFAOYSA-N 330.387 4.773 0 50 EJAA Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4F)c3)nc12 472496 BGOAGBGUGJNTLR-UHFFFAOYSA-N 345.377 4.701 0 50 EJAA Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1C=O 2381305 YXJKUBISVBELDJ-UHFFFAOYSA-N 345.427 4.693 0 50 EJAA O=C(Nc1ccccc1)c1sc2ccccc2c1Br 4542595 ABKMCGWLOOCDPQ-UHFFFAOYSA-N 332.222 4.916 0 50 EJAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2nccnc2c1 4810428 XVJJWXDXEJFCDR-UHFFFAOYSA-N 341.370 4.674 0 50 EJAA O=C(Nc1ccc(Br)cc1)NC1CCCCCCC1 15934157 HXYUOCXDQUVMTI-UHFFFAOYSA-N 325.250 4.684 0 50 EJAA c1ccc(C2CCC(N3CCN(C4CCCCC4)CC3)CC2)cc1 19790159 CMKZUJSLHYGZFC-UHFFFAOYSA-N 326.528 4.663 0 50 EJAA CC[C@H](C)N(Cc1ccsc1)C(=O)C1(c2ccc(F)cc2)CC1 55343115 PKCIUPJPXBISQU-AWEZNQCLSA-N 331.456 4.746 0 50 EJAA O=C(O)c1ccc(CN2CCC(c3cccc4ccccc34)CC2)cc1 263577852 RYJPTWHPFBNPRO-UHFFFAOYSA-N 345.442 4.918 0 50 EJAA CC(C)c1ccc2ncnc(NC(C)(C)c3nc4ccccc4[nH]3)c2c1 1875334191 CPVSURFCADDHFZ-UHFFFAOYSA-N 345.450 4.977 0 50 EJAA C[C@@H](c1nc2ccccc2n1C)C(O)(c1ccccc1)c1ccccc1 305390 PICOWFNAWPONSI-KRWDZBQOSA-N 342.442 4.613 0 50 EJAA CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Br 859139 PGXHPRYIRPQWFJ-UHFFFAOYSA-N 348.240 4.717 0 50 EJAA Cc1cccc(OCCCC(=O)Nc2ccc(OC(C)C)cc2)c1 1775689 MBOSCHDCYPHSHN-UHFFFAOYSA-N 327.424 4.580 0 50 EJAA CC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2080176 ZVCPJTDXIXBQNG-UHFFFAOYSA-N 345.826 4.649 0 50 EJAA Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1C 2743768 WKMPCYLZAQCLHR-MRXNPFEDSA-N 337.463 4.755 0 50 EJAA Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccccc3)=Nc3ccccc32)cc1 5009737 SLVIAVIKIFHJFC-NRFANRHFSA-N 347.439 4.644 0 50 EJAA O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 5044786 RWEMUPPYCRVLKJ-YPKPFQOOSA-N 339.398 4.882 0 50 EJAA Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Cl)cc1Cl 6703311 GPDYSUKORUXAIA-UHFFFAOYSA-N 347.201 4.605 0 50 EJAA Cc1cc(NC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 7636205 HMRNSRFZVBVOCJ-UHFFFAOYSA-N 334.345 4.544 0 50 EJAA CCC(CC)CN1CCC(c2[nH]ncc2-c2cccc(OC)c2)CC1 12242548 MPVSLDWXTXXGQP-UHFFFAOYSA-N 341.499 4.701 0 50 EJAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@@H]23)cc1 16625997 MITVFTQPBNIBOQ-JCGIZDLHSA-N 343.810 4.673 0 50 EJAA O=C(c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 109708988 ZGLXSWHFUWZJFJ-UHFFFAOYSA-N 329.115 4.699 0 50 EJAA CCC1(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CCC1 175670563 PCYPOLQETLMQLL-UHFFFAOYSA-N 326.415 4.503 0 50 EJAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@H]1c1ccncc1 245906066 CHRLZMTXPILWBO-KURKYZTESA-N 340.492 4.699 0 50 EJAA Fc1ccc(-c2nccc(SC34CC5CC(CC(C5)C3)C4)n2)nc1 1875405646 KYGQGWUDOCWRHX-UHFFFAOYSA-N 341.455 4.739 0 50 EJAA CC(C)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 133506 ROGWQMYBHCBXFC-UHFFFAOYSA-N 337.341 4.846 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 172785 YOZOMQBSGMTMOH-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 451843 VQOLEXQAJXDJIV-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA CSc1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 999669 RHUWFOIVRKRTKE-UHFFFAOYSA-N 335.856 4.858 0 50 EJAA O=C(CCNc1ccc(OC(F)(F)Cl)cc1)c1cccs1 1430463 IHDCNQJTGASFJS-UHFFFAOYSA-N 331.771 4.601 0 50 EJAA Cc1nc(SCCC(=O)Nc2ccccc2)cc(-c2ccccc2)n1 12001000 CRBSZBDDFXROND-UHFFFAOYSA-N 349.459 4.573 0 50 EJAA FC(F)(F)c1cccc(-c2c[nH]nc2C2CCN(CC3CC3)CC2)c1 14990143 FEDLCNJQQQWHDR-UHFFFAOYSA-N 349.400 4.685 0 50 EJAA Cc1c(C=O)[nH]c([C@@H]2CCC[C@@H](c3[nH]c(C=O)c(C)c3C)C2)c1C 25758889 KDNCCTGOYLFGDC-HZPDHXFCSA-N 326.440 4.643 0 50 EJAA O=S(=O)(Nc1ccccc1C1CCC1)c1sccc1C1CC1 2325866365 INPVMHGBOBZEPM-UHFFFAOYSA-N 333.478 4.694 0 50 EJAA CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC2)c(C(C)C)c1 207523 OLVHTKMCICZHET-UHFFFAOYSA-N 337.529 4.841 0 50 EJAA Cc1cc(C)c(C(=O)c2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1 296376 GAWQHFUSYUKMLU-UHFFFAOYSA-N 349.474 4.905 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1Cl 308437 CJICLIXISOZMKH-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA COc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 536443 LVLNIGYBEQQXBP-UHFFFAOYSA-N 346.390 4.587 0 50 EJAA Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCOc1ccccc1 1845144 IYAFFIUNILMTSL-LJQANCHMSA-N 340.854 4.867 0 50 EJAA CCOc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1 3757134 RVRKQSRUWLJSAG-UHFFFAOYSA-N 327.767 4.652 0 50 EJAA Cc1cc(F)ccc1NC(=O)c1cc(Br)ccc1Cl 7751049 OZIBEHLRIKEKEV-UHFFFAOYSA-N 342.595 4.802 0 50 EJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 9259126 HIIMVNPGJPLCNE-UHFFFAOYSA-N 330.815 4.577 0 50 EJAA COc1ccc(OC)c(NC(=O)c2oc3c(C)cc(C)cc3c2C)c1 16391735 JYDBRXHUDNIKRO-UHFFFAOYSA-N 339.391 4.628 0 50 EJAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]32)cc1 35360400 MITVFTQPBNIBOQ-JLSDUUJJSA-N 343.810 4.673 0 50 EJAA CC(NCc1ccc2cn[nH]c2c1)(c1ccccc1)c1ccccc1 236890358 XTMYJDCPPATNLU-UHFFFAOYSA-N 327.431 4.616 0 50 EJAA Cc1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 239310475 ILZRVBWTTJKFOR-JKJDWNRSSA-N 338.278 4.790 0 50 EJAA aggregator CC[C@@H](C)NC(=O)c1ccc(CSCc2ccccc2Cl)o1 262989 FNJAXZKXTDBQGJ-GFCCVEGCSA-N 337.872 4.895 0 50 EJAA O=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 471550 JOPPZJKHUVOTTK-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA CSc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 3907699 PVFIVQFYTKCNSE-UHFFFAOYSA-N 344.823 4.969 0 50 EJAA O=C(Nc1cc(Cl)ccn1)[C@@H]1CC1(c1ccccc1)c1ccccc1 4812000 RNMBUWASUBMGOH-SFHVURJKSA-N 348.833 4.680 0 50 EJAA Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nccs3)c(C)o2)s1 12209608 NSRLQNJAIVHQKW-CQSZACIVSA-N 345.493 4.814 0 50 EJAA CCCCCN(CCCCC)S(=O)(=O)c1cccc2cccnc12 13946434 YIEIRPLIBOLFJE-UHFFFAOYSA-N 348.512 4.606 0 50 EJAA CC(C)N(C)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 14953196 RXZSOEULOCPYTN-UHFFFAOYSA-N 342.826 4.552 0 50 EJAA CC(=O)Nc1ccc(NC(=O)c2oc3c(C)cc(C)cc3c2C)cc1 16391732 BXKWNQXNUDAPSE-UHFFFAOYSA-N 336.391 4.569 0 50 EJAA CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 32230907 MRCUDDHDPPYVCN-UHFFFAOYSA-N 343.858 4.604 0 50 EJAA CCC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1C 36566150 QZYFKDBFRXYSBM-UHFFFAOYSA-N 331.803 4.641 0 50 EJAA Clc1ccccc1-c1ccc(Cn2ccnc2-c2cccnc2)o1 77358666 BIUCEAQNFDPJKE-UHFFFAOYSA-N 335.794 4.907 0 50 EJAA COc1ccc(NC(=O)c2c(F)cccc2SC)cc1OC(C)C 240900775 ITUBCZZFSFNVNE-UHFFFAOYSA-N 349.427 4.596 0 50 EJAA C[C@H](NC(=O)N1CCC2(C=Cc3ccccc32)CC1)c1cccs1 426707470 SDGCCALUUVHASF-HNNXBMFYSA-N 338.476 4.579 0 50 EJAA COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 181520 NVFMRWYOPLHUDM-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA O=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12 336428 LWNJVOCCPXQPDU-UHFFFAOYSA-N 348.627 4.918 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 453007 XVOQMNUEQMKYQN-SOFGYWHQSA-N 332.230 4.592 0 50 EJAA CC(=O)c1cnc(Oc2cc(Cl)c(Cl)cc2Cl)nc1C 1390150 HLYRWAPRBFFAJE-UHFFFAOYSA-N 331.586 4.740 0 50 EJAA CCOC(=O)CP(=O)(Oc1ccccc1C)Oc1ccccc1C 2379598 BOEGWWFFVZDOIH-UHFFFAOYSA-N 348.335 4.517 0 50 EJAA in-vitro O=C(O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1 4800424 JCXIICUMJCMYAV-UHFFFAOYSA-N 334.371 4.543 0 50 EJAA CC(C)(C)c1ccc(OC[C@H](O)CSCc2ccccc2)cc1 12381727 ZTGGOYZMZRRLPM-SFHVURJKSA-N 330.493 4.657 0 50 EJAA CSc1cccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)c1 13325248 DVADHFGMVRLURK-UHFFFAOYSA-N 341.480 4.648 0 50 EJAA Oc1cc(-c2cccs2)cc2c1OCCN(C[C@@H]1CC=CCC1)C2 14992033 DNJWACSLKAUOLA-OAHLLOKOSA-N 341.476 4.671 0 50 EJAA COc1ccccc1-c1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 109454643 CVJOQUNSFFYPLU-LSDHHAIUSA-N 326.783 4.670 0 50 EJAA C[C@@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@H]1c1ccccc1 186067299 ZTBCMXQXLOXLJI-BFUOFWGJSA-N 347.418 4.930 0 50 EJAA C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H]1c1cccs1 241338543 MBNJTGXWKFACMX-NEPJUHHUSA-N 331.466 4.758 0 50 EJAA CN(C)C(=O)[C@H](Sc1c(Cl)cccc1Cl)c1ccccc1 248050211 XKOCRJUIUBWIMQ-CQSZACIVSA-N 340.275 4.915 0 50 EJAA O=C(O)c1ccccc1C1CCN([C@H]2CCCc3ccccc32)CC1 364837520 GUHGEWGLEBYSCR-NRFANRHFSA-N 335.447 4.642 0 50 EJAA CC(C)(C)OC(=O)n1ncc2c(C(F)F)cc(Br)cc21 888084579 BHCHOLPJWIZLND-UHFFFAOYSA-N 347.159 4.520 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 238256 XHOACWXTINXSJV-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2ccccc2C(C)(C)C)cc1 399752 YFHMHRSGHXSDJM-UHFFFAOYSA-N 341.407 4.772 0 50 EJAA COC(=O)c1ccccc1NC(=O)CCC(C)(C)C1CCCCC1 459161 WURAYWXNUSFYRK-UHFFFAOYSA-N 331.456 4.798 0 50 EJAA Cc1cc(OCC(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 459721 SOLAGUXXZURZPD-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1 465762 UUQMFRFLDUMWMM-AWEZNQCLSA-N 326.465 4.635 0 50 EJAA Cc1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(C)c1 470258 BVJBWPZMAODHGB-UHFFFAOYSA-N 348.402 4.709 0 50 EJAA Cc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccccc1 618929 LKCZLMZIVXEWMA-UHFFFAOYSA-N 343.308 4.984 0 50 EJAA CC(C)(C)[S@@](=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 4800647 MWRRWLFNSUKCMC-HBLAUFEJSA-N 340.488 4.763 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 5520652 OANMEYJWJMQNAH-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA O=C(NCCc1ccccc1)N1CCCCC[C@@H]1c1cccs1 15867125 DLRKUUDNJOSLCQ-QGZVFWFLSA-N 328.481 4.618 0 50 EJAA Cc1occc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 16604449 WLFVFSWNORXLMD-UHFFFAOYSA-N 332.812 4.926 0 50 EJAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32C=C(O)CCC2)cc1 100671113 PCKAMFUEEURWNF-IRLDBZIGSA-N 346.430 4.861 0 50 EJAA Fc1ccc(CNCc2ccnc(N3CCCCCC3)c2)cc1Cl 162070013 MWRHFCBZMYOMCX-UHFFFAOYSA-N 347.865 4.544 0 50 EJAA CC(C)(C)C(=O)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C 169794783 KUYILKYNBKPRDV-UHFFFAOYSA-N 332.785 4.839 0 50 EJAA Cc1ccc(CN(Cc2ccn(-c3ccccc3)n2)C(C)C)s1 170605794 BULGFRHKXLDZJE-UHFFFAOYSA-N 325.481 4.653 0 50 EJAA Nc1c(Cl)ccc(C(=O)Nc2cccc(C(F)F)c2)c1Cl 225558012 QSMRWTVXNJGDFQ-UHFFFAOYSA-N 331.149 4.766 0 50 EJAA O=C([C@H]1CCCC(F)(F)C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 241173071 KFTXICLFHAGTRC-MAUKXSAKSA-N 346.421 5.047 0 50 EJAA CC[C@H](OC1CCCCC1)c1nc(COc2ccccc2F)no1 809231441 UGZAOOAJDRKZIR-HNNXBMFYSA-N 334.391 4.588 0 50 EJAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccnc1 187505 BHNGLUFUGLJJGE-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA CCCC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 444566 QFFGQGLEYCYSGD-UHFFFAOYSA-N 332.403 4.831 0 50 EJAA S=C(NCCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 618729 DHVBCEPPCAYPQL-UHFFFAOYSA-N 325.264 4.523 0 50 EJAA CC(=O)c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1 5041207 VHJOOVSKZHTWML-UHFFFAOYSA-N 340.276 4.691 0 50 EJAA CC(=O)c1cnc(SCc2c(Cl)cccc2Cl)nc1C 5749289 YDJPZWFSOWJVEV-UHFFFAOYSA-N 327.236 4.587 0 50 EJAA Cc1cccc(-c2cc(NC(=O)c3ccc(Cl)cc3Cl)[nH]n2)c1 6493822 IZPHUEGIZBOZFU-UHFFFAOYSA-N 346.217 4.944 0 50 EJAA COc1ccc([C@H](CC(=O)N2CCCCCC2)c2ccccc2)cc1 12030398 UVQSQWFIWVQTMJ-OAQYLSRUSA-N 337.463 4.620 0 50 EJAA Cc1ccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)cc1 109915616 VMFVCWXAHLNFOC-YRNVUSSQSA-N 348.377 4.973 0 50 EJAA CCN(C[C@H]1CCCCO1)C(=O)c1ccccc1Oc1ccccc1 222821751 FKGFOGGVQVTPGX-GOSISDBHSA-N 339.435 4.510 0 50 EJAA CCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 225520923 XOOHGHFBMOUVGH-PFONDFGASA-N 346.430 4.797 0 50 EJAA CCOC(=O)[C@H]1CCCc2sc(-c3c(F)cccc3Cl)nc21 316903248 PCLTYHWRNVJYML-VIFPVBQESA-N 339.819 4.586 0 50 EJAA Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)cc1 334161701 DOEIMCONNOCPEV-KRWDZBQOSA-N 349.434 4.562 0 50 EJAA C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 440755536 PGJKMLLBZWVONI-IIYDPXPESA-N 345.874 4.706 0 50 EJAA Cc1nc(N[C@@H](C)c2ccnn2C)c2cc(-c3ccccc3)sc2n1 1187379494 BCSPOUCYFPSWMS-LBPRGKRZSA-N 349.463 4.573 0 50 EJAA COc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 217181 YNQAOBZONBBSKT-UHFFFAOYSA-N 346.430 4.583 0 50 EJAA COc1ccccc1/C=C/C(=O)NC(c1ccccc1)c1ccccc1 450891 WYOHGSHGEKYMTE-WUKNDPDISA-N 343.426 4.614 0 50 EJAA Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 456854 GLNHHLKUFGFHQV-UHFFFAOYSA-N 346.455 4.789 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1 617332 RZCQVKVNUWCYGE-UHFFFAOYSA-N 336.391 4.690 0 50 EJAA CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C 1386424 BMUIXCLLFWRJOQ-UHFFFAOYSA-N 348.402 4.729 0 50 EJAA Cc1cc(C)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc2n1 1426144 HDNABYJYXXLMKZ-UHFFFAOYSA-N 346.217 4.806 0 50 EJAA CCCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 1771292 RRWGNVNQOASYSS-ZHACJKMWSA-N 343.810 4.559 0 50 EJAA Cc1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cs1 17070675 QQFBYKSNSXBMTO-UHFFFAOYSA-N 335.885 4.798 0 50 EJAA Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)s1 19789067 DWZHFTRFAMOPHE-CQSZACIVSA-N 348.899 4.508 0 50 EJAA Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cccs3)on2)cc1 21150690 QTFOTZPVWBTLRA-MRXNPFEDSA-N 338.432 4.689 0 50 EJAA CC(=O)c1csc(C(=O)Nc2cccnc2-c2ccc(C)s2)c1 187082036 GCQOLUNUFKYVAR-UHFFFAOYSA-N 342.445 4.635 0 50 EJAA O=C(NC[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1775975474 BLIUXXYCURSWGF-JEDBISTDSA-N 343.829 4.503 0 50 EJAA Cc1cc(OCCn2c(C)c(C=O)c3ccccc32)ccc1Cl 317902 LNSCQIUJCWWXSR-UHFFFAOYSA-N 327.811 4.803 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 362732 KEWYPGLHZSUDMG-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccccc1 444342 QBRJZUFENRMCGX-UHFFFAOYSA-N 342.398 4.984 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)noc1C 449839 UWFNMFLNDJPLER-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA CCc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 455100 XZOFTWNPXZPKFQ-UHFFFAOYSA-N 334.444 4.529 0 50 EJAA Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 578987 FLLHGZAETNZUJQ-UHFFFAOYSA-N 348.402 4.709 0 50 EJAA CCOc1ccccc1OC(=O)CCCOc1ccc(Cl)cc1 1904085 UJDLQHIHAREIRL-UHFFFAOYSA-N 334.799 4.503 0 50 EJAA CCN(CC)[C@H]1C(O)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 6783629 VBMSIUSIEAGKMP-ZWKOTPCHSA-N 328.843 4.784 0 50 EJAA O=C(Nc1ccccc1F)c1cc(-c2ccccn2)nc2ccccc12 11692881 ROXGHKNYJAPRAZ-UHFFFAOYSA-N 343.361 4.688 0 50 EJAA CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 15957215 DPNOTBLPQOITGU-AHUSATQRSA-N 338.488 4.504 0 50 EJAA in-vitro O=C(Nc1ccccc1)N1CCC[C@H]1c1ccccc1Br 86990083 GYEZFCLAZSQOSX-INIZCTEOSA-N 345.240 4.818 0 50 EJAA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cnc3ccccc3c2)c1 170626424 SQGMBPRESRIKLX-CYBMUJFWSA-N 340.810 4.603 0 50 EJAA C[C@@H](Nc1cccc(OCc2cscn2)c1)c1cccc(O)c1 194953380 AXPLTDCYGHQAEL-CYBMUJFWSA-N 326.421 4.601 0 50 EJAA CC(=O)c1ccc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)o1 408514807 LQNBRSJXEJWZDU-UHFFFAOYSA-N 339.313 4.556 0 50 EJAA Fc1cccc(Cl)c1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857688139 VKPXJGFYKMLRCU-WMLDXEAASA-N 347.865 4.607 0 50 EJAA CN(Cc1ccccc1)C(=O)C(C)(c1ccccc1)c1ccccc1 2301364 RFDMNQLYWBCOQC-UHFFFAOYSA-N 329.443 4.651 0 50 EJAA COc1ccc(-c2nc3ccccc3c(C(=O)NC(C)(C)C)c2C)cc1 2741801 UVPZREAMDSKUNL-UHFFFAOYSA-N 348.446 4.747 0 50 EJAA CCc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 4841097 MQJORSCTYOSJNH-UHFFFAOYSA-N 343.386 4.705 0 50 EJAA CCCCn1c(SCC(=O)c2cccs2)nc2ccccc21 15659134 QEICAIFGPNZAOO-UHFFFAOYSA-N 330.478 4.873 0 50 EJAA Cc1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 15839891 UBJWFGVJNNWDDS-LJQANCHMSA-N 336.822 4.563 0 50 EJAA CC(C)(C)C1CCC(N2CCN(C/C=C/c3ccccc3)CC2)CC1 22455497 CXHCRMXEXDJEHJ-JXMROGBWSA-N 340.555 4.922 0 50 EJAA CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C(C)C)s2)cc1 96161099 XXISZHCGHXUGTF-UHFFFAOYSA-N 329.465 4.736 0 50 EJAA O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@H]1c1ccccc1 111744531 SGJKBQYLFKQARW-SFHVURJKSA-N 338.455 4.757 0 50 EJAA CC(C)(C)C(=O)C[C@H](NC(=O)OCc1ccccc1)c1ccccc1 252484706 GFCSUTJOAMZKFA-SFHVURJKSA-N 339.435 4.659 0 50 EJAA Cc1noc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 932872767 HXNCTGIFMSCAAO-OAHLLOKOSA-N 349.381 4.754 0 50 EJAA CCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(C)c2Cl)c(C)c1 952991803 SSBFBOIDJZFVJM-UHFFFAOYSA-N 348.805 4.697 0 50 EJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Nc1ccc3ccccc3c1)C2 1704342825 QPPCUXADMMGKCM-CTNGQTDRSA-N 338.451 4.653 0 50 EJAA Brc1cccc2nc(Nc3ccc4[nH]ccc4c3)oc12 1875309373 MJAIXDZBVSXVEA-UHFFFAOYSA-N 328.169 4.815 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1ccccc1C(C)C 2325841391 RTGLMTSCUXSEIS-RTBURBONSA-N 325.496 4.620 0 50 EJAA Brc1ccc(-c2noc(CCCc3ccccc3)n2)cc1 203254 OHZQYSBSOIIILN-UHFFFAOYSA-N 343.224 4.674 0 50 EJAA C[C@H](CC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 249757 SVPXMZMYETUJKI-CYBMUJFWSA-N 329.469 4.718 0 50 EJAA Oc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12 473176 NZLRLUKVUQRBQE-UHFFFAOYSA-N 331.350 4.885 0 50 EJAA CO[C@@H](Cn1ccnc1-c1ccnc2ccccc12)c1cccs1 71405618 HWUKCRCCVZMAQC-KRWDZBQOSA-N 335.432 4.548 0 50 EJAA C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1C[C@H]2CCC[C@@H]21 170665576 LIFQUFSHGXTAMR-RULNRJAQSA-N 338.238 4.589 0 50 EJAA CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3ccc(F)cc3)cc21 55372 QBXYUIIBKHOJFA-UHFFFAOYSA-N 325.383 4.581 0 50 EJAA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 317068 AXDXQDLSZLVWCI-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA COc1cccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c1 433639 JRGFREOLGLQCFH-UHFFFAOYSA-N 346.430 4.583 0 50 EJAA Clc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 444256 KHFHDXXBEVGGBD-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 465062 MVOBMAHOTSMHBR-UHFFFAOYSA-N 341.407 4.602 0 50 EJAA COc1cc(Cl)ccc1NC(=O)Cc1c(Cl)cccc1Cl 2789219 DQRVOTVOVQALRI-UHFFFAOYSA-N 344.625 4.837 0 50 EJAA CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 12138261 ZRMLDWDEUAHRFP-UHFFFAOYSA-N 338.451 4.591 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1F 13320227 JQAOKMQDUOKXQD-UHFFFAOYSA-N 341.430 4.764 0 50 EJAA Cc1c(Cl)ccc2c(O)c(Br)c(C(F)(F)F)nc12 38537382 KJOQBQROKJUOMH-UHFFFAOYSA-N 340.526 4.684 0 50 EJAA in-vitro COc1ccc(-c2c(Cl)sc3nc(C)nc(Cl)c23)cc1 49597397 NZPQGTYMRYOIIS-UHFFFAOYSA-N 325.220 4.982 0 50 EJAA Clc1cccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 252535686 GOXYILAIBJWFDG-HNNXBMFYSA-N 342.855 4.595 0 50 EJAA Cc1nc([C@H](C)N(C)C(=O)Nc2c(C)cccc2Cl)c(C)s1 825272204 GMUCHXGXGFFGEW-JTQLQIEISA-N 337.876 4.947 0 50 EJAA Cc1cc([C@@H]2CCCN2Cc2cccc(Oc3ccccn3)c2)no1 891646896 CSDMKHVFJQFTIQ-IBGZPJMESA-N 335.407 4.507 0 50 EJAA Cc1cnn(-c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2F)c1 1875328939 UDZXGGSMAISNSJ-GFCCVEGCSA-N 346.356 4.826 0 50 EJAA CC(C)Oc1ccc2ccc(-c3ccc(C4(CO)CC4)cc3)nc2c1 2325852360 BTNMPENXSSDFGO-UHFFFAOYSA-N 333.431 4.713 0 50 EJAA Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1Br 310795 ISNFWDNWPHKXJC-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA O=C(NCCc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 457031 HOAMRVPETNVKSV-OAQYLSRUSA-N 347.483 4.879 0 50 EJAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)n1 1052482 JDTYQVBWJNGFKX-UHFFFAOYSA-N 339.826 4.703 0 50 EJAA C[C@@H]1CCCN(CCCOc2ccc(Cl)cc2Br)C1 2823663 XXNKKQHOPHTSDT-GFCCVEGCSA-N 346.696 4.603 0 50 EJAA Oc1cccc2ccc(/C=C/c3ccc(Br)s3)nc12 4755165 XTQOBCQQVGVHDH-VOTSOKGWSA-N 332.222 4.935 0 50 EJAA Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2CC(C)C)n1 11998056 CWBWCLOQWOCAAY-FQEVSTJZSA-N 347.462 4.657 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)no1 64984612 MQAGPTZHQIGLLK-KRWDZBQOSA-N 347.846 4.958 0 50 EJAA CC(C)c1noc([C@@H]2CCCN2Cc2cc(C3CCCCC3)no2)n1 77394654 MVTVJBMQOWUFCL-KRWDZBQOSA-N 344.459 4.566 0 50 EJAA CN(Cc1cscn1)C(=O)N[C@H](c1cccs1)C1CCCCC1 534637099 OLQYVVYNCPELPD-INIZCTEOSA-N 349.525 4.668 0 50 EJAA CC[C@@]1(C)CC(=O)c2cc3c(-c4ccccc4)cc(=O)oc3c(C)c2O1 822672706 NLYYJTAQQOMBEN-QFIPXVFZSA-N 348.398 4.902 0 50 EJAA O=C(Oc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 225329 CRGXZNDWUXTLBL-UHFFFAOYSA-N 346.007 4.975 0 50 EJAA Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 452315 DHFOCWUBMFNOKR-UHFFFAOYSA-N 335.325 4.615 0 50 EJAA Cc1nc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2n1C 471162 QIGCCFYGAVUGOM-UHFFFAOYSA-N 348.328 4.545 0 50 EJAA CCOc1cc([C@H]2Nc3ccccc3C(CC)(CC)O2)ccc1O 1070436 PEZZIPUWNQQLKD-IBGZPJMESA-N 327.424 4.947 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 5685247 CGAOXSZEALULKE-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA O=C(Nc1cccc(Cl)c1F)N1Cc2ccccc2C(F)(F)C1 676371951 PHICBRRCYRXAMH-UHFFFAOYSA-N 340.732 4.619 0 50 EJAA Cc1cnccc1-c1ccc(C(=O)Nc2ccc(F)cc2F)s1 2325746888 CSFRXSLQSWBERC-UHFFFAOYSA-N 330.359 4.649 0 50 EJAA c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 36151 HAAISSSKTUSEAD-UHFFFAOYSA-N 333.416 4.820 0 50 EJAA O=C(Cc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 363582 FHXJIBCBTAHGDW-UHFFFAOYSA-N 349.817 4.752 0 50 EJAA Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1 472319 FUNUJGOIJYHWQP-UHFFFAOYSA-N 337.444 4.771 0 50 EJAA CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)C(C)C)c1 620820 IKAWCVNZCYVHEB-UHFFFAOYSA-N 338.451 4.658 0 50 EJAA O=C(O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1 1389669 AJFKCJRMHHBFNS-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA CC(C)CCNc1ncc2c(n1)C[C@H](c1ccccc1Cl)CC2=O 4182703 QGIHBIDBIYMZLG-ZDUSSCGKSA-N 343.858 4.501 0 50 EJAA Cc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 4757676 SEHFSQFHPOMTOD-UHFFFAOYSA-N 328.843 4.891 0 50 EJAA COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 5670632 LLWSLPLDHNDQAO-RXVVDRJESA-N 346.386 4.531 0 50 EJAA CCc1ccccc1NC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12206328 YJDUUISPHQVRJO-GOSISDBHSA-N 343.515 4.558 0 50 EJAA C/C(=C\C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1 13488964 PGFQXGLPJUCTOI-WYMLVPIESA-N 331.371 4.580 0 50 EJAA in-vitro Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccccc3F)C2)c1 20908313 WHNVCDLOMYGKLI-IBGZPJMESA-N 349.453 4.904 0 50 EJAA C[C@@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 101800163 LEQQCEPSIRJURM-VOAKCMCISA-N 342.430 4.817 0 50 EJAA Cc1ccc(-c2cs/c(=N\c3ncccn3)n2-c2ccccc2)cc1 102318208 PKNSIMNFSXTWCC-ATJXCDBQSA-N 344.443 4.537 0 50 EJAA C[C@H](c1ccc(F)cc1)N(C)C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 222033779 YLCROHKTHHRSPO-IXERNEQCSA-N 349.877 4.923 0 50 EJAA O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@]2(CC=CCC2)C1 230273419 AJINTEZIGPGTJZ-BFYDXBDKSA-N 344.421 4.639 0 50 EJAA Cc1c(CO)[nH]c2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)cc12 426395432 UIWATGMSQYAJAO-MRXNPFEDSA-N 334.463 4.792 0 50 EJAA Fc1ccccc1CC1(NCc2scnc2C2CC2)CCCC1 2325827887 TUUJCVREYHEOHL-UHFFFAOYSA-N 330.472 4.805 0 50 EJAA CCOC(=O)c1c(C)oc2ccc(OCc3ccccc3F)cc12 407133 XIHRIUXMJXYVLJ-UHFFFAOYSA-N 328.339 4.636 0 50 EJAA biogenic CC(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1 609474 JEKPVQYAEXNJRK-UHFFFAOYSA-N 337.206 4.518 0 50 EJAA O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Oc1ccccc1 617995 ZISSNHZSMASJSU-UHFFFAOYSA-N 347.370 4.502 0 50 EJAA CN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 621179 WMOASEJDWZLTSH-UHFFFAOYSA-N 344.625 4.689 0 50 EJAA CCCCc1nc2ccccc2c(=O)n1-c1cccc2ccccc12 2311584 INJQYHNFRVPXOC-UHFFFAOYSA-N 328.415 4.882 0 50 EJAA O=C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2386306 BYOKJLCIKSFPDU-UHFFFAOYSA-N 334.371 4.543 0 50 EJAA COc1ccc(-c2cnc(NC(=O)/C=C/c3cccs3)s2)cc1 5060940 PMWGBSVHKUDDAP-CMDGGOBGSA-N 342.445 4.532 0 50 EJAA Cc1oc(-c2cccs2)nc1CN1CCCC[C@H]1c1nccs1 14977345 HHTLPNYHOZANOS-AWEZNQCLSA-N 345.493 4.895 0 50 EJAA CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 20176365 HEOJLKCUDZTUIU-LLVKDONJSA-N 336.794 4.761 0 50 EJAA COc1ccc(CN2CCCC2)cc1Oc1ccnc2ccccc12 67867143 ODYGUCSXVQAILZ-UHFFFAOYSA-N 334.419 4.632 0 50 EJAA COC(=O)Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1 97757354 VHACEHNHRMVRNA-UHFFFAOYSA-N 332.399 4.648 0 50 EJAA CC[C@]1(C)C[C@H]([C@H]2CCCN(CCC(=O)c3ccccc3)C2)CCO1 822676326 VRGOUTDKDGPPII-RZUBCFFCSA-N 343.511 4.567 0 50 EJAA COc1ccc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)cc1 888103889 IIBOSJGRKWUKTE-UHFFFAOYSA-N 342.395 4.519 0 50 EJAA O=C(NCc1cc(Cl)cc(Cl)c1)c1ccccc1-n1cccc1 1461525632 VGLLPKMYWQOGPJ-UHFFFAOYSA-N 345.229 4.714 0 50 EJAA Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[N@]2Cc2ccccc2)cc1 1857795334 RLTHUIVLGQTWJM-GPXNEJASSA-N 327.427 4.803 0 50 EJAA CC(C)(O)Cn1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cn1 1875340200 QCHSYWZGXGGPPC-UHFFFAOYSA-N 342.826 4.767 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ncccc1F 1875342770 GKFDFSXFCQHYFB-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 281604 MUDZOKOVPFZEDL-GFCCVEGCSA-N 335.856 4.858 0 50 EJAA O=C(Nc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F 444179 ZFCOHRUIBBBSQJ-UHFFFAOYSA-N 333.231 4.977 0 50 EJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 460354 FHFCAGKROYCAGE-VIFPVBQESA-N 327.783 4.738 0 50 EJAA CC[C@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 474731 PEXAFUJXIVRWOZ-HNNXBMFYSA-N 329.469 4.718 0 50 EJAA CCN(CC)c1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1 1347529 MUMAQJNXACBHGM-UHFFFAOYSA-N 349.482 4.597 0 50 EJAA COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl 3997249 XWOWAHWYUPQCLN-UHFFFAOYSA-N 349.858 4.512 0 50 EJAA O=C(NCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl 6476424 QFFIPIVBUBZQHU-UHFFFAOYSA-N 348.233 4.839 0 50 EJAA C[C@@H](Sc1ccncc1)C(=O)Nc1ccccc1-c1ccccc1 119315149 VZBZTGFIJPAIIS-OAHLLOKOSA-N 334.444 4.868 0 50 EJAA CCC(=O)Nc1ccc(C)c(NCc2cnc(-c3ccco3)s2)c1 225608963 FZFFACJEFUSEDR-UHFFFAOYSA-N 341.436 4.672 0 50 EJAA CCc1c[nH]c(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)n1 241383342 MUMKKXSQOHGMDG-MRXNPFEDSA-N 336.888 4.886 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772492757 XXSFRYVGIQYVIQ-KTGOOZEISA-N 330.512 4.761 0 50 EJAA CC1=C(CCN2CCN(c3ccccc3F)CC2)C(C)(C)CCC1 216050 OTPUVJHZBSCSAV-UHFFFAOYSA-N 330.491 4.864 0 50 EJAA Cc1cc(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 315375 PAXUFYGBCDQNTC-UHFFFAOYSA-N 337.341 4.648 0 50 EJAA Clc1ccccc1OCCn1c(-c2ccccn2)nc2ccccc21 317728 CVLYPUYFYVQCTB-UHFFFAOYSA-N 349.821 4.831 0 50 EJAA CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 317802 KKECGAWTFBJJTQ-UHFFFAOYSA-N 347.414 4.917 0 50 EJAA CC[C@]1(C)Oc2ccc(NC(=O)c3ccccc3SC)cc2O1 381988 WTHGHFKXLLFJTM-GOSISDBHSA-N 329.421 4.558 0 50 EJAA Cc1nc2c(C)cccc2c2c1C[C@H]([C@@](C)(Cl)Br)O2 435929 LLWGIJULDDXRNP-IUODEOHRSA-N 340.648 4.505 0 50 EJAA Cc1ccccc1CSCC(=O)Nc1cccc(C(F)(F)F)c1 443815 HPBBLGIJFNVYNI-UHFFFAOYSA-N 339.382 4.886 0 50 EJAA CCc1ccc(N[C@H](c2ccccc2)P2(=O)OCCCO2)cc1 2810182 URLNWSLALFTHCI-SFHVURJKSA-N 331.352 4.990 0 50 EJAA COc1cc(C=O)ccc1OCCCOc1cc(C(C)C)ccc1C 2987050 AZGPHULYMZAXQR-UHFFFAOYSA-N 342.435 4.787 0 50 EJAA COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(OC)c1C 4984023 WONBCACSUODFRS-UHFFFAOYSA-N 349.474 4.573 0 50 EJAA Fc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)cc1 5043098 YQLHPJUDLXPYAD-UHFFFAOYSA-N 340.423 4.939 0 50 EJAA CCC[C@@H](C)c1nc(-c2csc(COCC)n2)n(C2CCCC2)n1 1875349105 MVLDMOQYUPZPSY-CYBMUJFWSA-N 348.516 4.957 0 50 EJAA C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 1085398 USWHVRKVZGKUPV-GOSISDBHSA-N 329.443 4.963 0 50 EJAA CSc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1 2544982 NKUKPDULGHDUDY-UHFFFAOYSA-N 348.830 4.546 0 50 EJAA Clc1ccccc1NC1CCN(Cc2c[nH]c3ccccc23)CC1 4817069 JXXRWTGRTKEZOE-UHFFFAOYSA-N 339.870 4.898 0 50 EJAA CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](C(C)C)O2 6048342 NXTMWQFQILLCDW-FPOVZHCZSA-N 336.435 4.611 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)c(C)c1 13746041 WXBLZYLTHLOABN-CYBMUJFWSA-N 347.256 4.949 0 50 EJAA CCCCn1ccnc1[C@@H]1CCCN(c2ccc3ccccc3n2)C1 95518644 JBTMXEPKKUMFFS-GOSISDBHSA-N 334.467 4.615 0 50 EJAA O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1cccc2cccnc12 253410698 NPMAHQWXSDDPAY-FQEVSTJZSA-N 341.414 4.655 0 50 EJAA Cc1coc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(O)cc3)cc12 930938985 ZADMOTWUAYLLFO-GOSISDBHSA-N 336.391 4.816 0 50 EJAA CCC(CC)n1nccc1NC(=O)c1ccccc1C(F)(F)F 1529191869 HJGRORILFBVXRZ-UHFFFAOYSA-N 325.334 4.515 0 50 EJAA C[C@H]1CCCCCN1C(=O)N[C@H](CC1CCOCC1)c1ccccc1 1875258586 ZWNSMIMDHCNVED-FXAWDEMLSA-N 344.499 4.519 0 50 EJAA CC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 137423 LHJZQTMGBSFPGA-UHFFFAOYSA-N 329.252 4.635 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 247558 KCOICKQVGWDXSS-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA Cc1c(C)c2cc(Cl)c(OC(=O)C3CCCCC3)cc2oc1=O 316813 VLVWTSIUDNNAKN-UHFFFAOYSA-N 334.799 4.549 0 50 EJAA Fc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2)cc1Cl 472432 MQTAHGLYYLFYJD-UHFFFAOYSA-N 340.210 4.669 0 50 EJAA OCc1ccc(OCc2cccc3ccccc23)c(Br)c1 474495 BWEICWLGPDXISC-UHFFFAOYSA-N 343.220 4.674 0 50 EJAA O=C(Nc1cccc(O)c1)c1cc(-c2ccc(Cl)cc2Cl)on1 815117 RJWREYOYBYVPRJ-UHFFFAOYSA-N 349.173 4.606 0 50 EJAA CC1(C)C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1 1831180 HFBMKKUCRLRSDJ-JOCHJYFZSA-N 341.470 4.832 0 50 EJAA COc1ccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)cc1 2950783 MQRWBGKWZXVINK-UHFFFAOYSA-N 344.798 4.594 0 50 EJAA C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 4811181 NOGYIGBBMLYFEE-KRWDZBQOSA-N 331.415 4.757 0 50 EJAA Cn1c2ccccc2n2cc(-c3ccccc3Br)cc12 5020515 HBMJSEACGUEHMQ-UHFFFAOYSA-N 325.209 4.861 0 50 EJAA CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 6700805 TZERNKCBNAQVSR-UHFFFAOYSA-N 347.414 4.917 0 50 EJAA C(=C/c1ccccc1)\CN1CCN(Cc2cccc3ccccc23)CC1 19536246 KBHNWYZDNRJVEK-JXMROGBWSA-N 342.486 4.671 0 50 EJAA CCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)on1 64985062 WLQONRBIHXTMRP-HNNXBMFYSA-N 333.819 4.568 0 50 EJAA CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCCCN)CCC[C@]21C 101173290 IVASDPGLHXNPTQ-DNVJHFABSA-N 342.571 4.759 0 50 EJAA Cc1nc(-c2cccc(NC(=O)C3CCC(C(C)(C)C)CC3)c2)n[nH]1 952988610 NNGVTZJVLQHPDG-UHFFFAOYSA-N 340.471 4.571 0 50 EJAA O=c1oc2ccccc2cc1-c1csc(Nc2ccc(F)cc2)n1 191853 WUXCRRLYEAAGNH-UHFFFAOYSA-N 338.363 4.799 0 50 EJAA CCOC(=O)c1c(C)nsc1Nc1cc(Cl)ccc1Cl 373740 LYVSDCYFURROGR-UHFFFAOYSA-N 331.224 4.679 0 50 EJAA Cc1ccc([C@]2(CCNCc3ccco3)CCO[C@@H](C(C)C)C2)cc1 1867329 LWJUFUPLTBOXHQ-FGZHOGPDSA-N 341.495 4.841 0 50 EJAA biogenic COc1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 3886774 VJTWNARMQHTMAT-UHFFFAOYSA-N 339.464 4.529 0 50 EJAA c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 3892299 GWMCPCJSFNYUTI-RBBKRZOGSA-N 326.399 4.929 0 50 EJAA COc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c1Cl 4542766 GOASGDFLESTOOT-RMKNXTFCSA-N 336.218 4.962 0 50 EJAA CC[C@H](C)c1ccc(OCCOCCN2C[C@@H](C)C[C@H](C)C2)cc1 4906839 SWQCGVOTNGYYTN-FHWLQOOXSA-N 333.516 4.573 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 5227319 KLFLXXSXHKVJTP-YRFCBLNGSA-N 332.484 4.530 0 50 EJAA CC(C)CC(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 9259229 XLRZMZCHVIYZMU-UHFFFAOYSA-N 344.842 4.506 0 50 EJAA COc1ccc2cc(C(=O)[C@H]3CCCN(C4CCCC4)C3)ccc2c1 12431161 JNSVKSRNLAOUJI-IBGZPJMESA-N 337.463 4.686 0 50 EJAA COc1ccc(NC(=O)Cc2sc3ccccc3c2Cl)cc1 45068758 MWHLKOFNRPKBEE-UHFFFAOYSA-N 331.824 4.745 0 50 EJAA COc1cccc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)c1 77471829 HTNBVEWTQDFDRW-GOSISDBHSA-N 347.817 4.855 0 50 EJAA CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 1077187 MXWAURBOOZACID-FQEVSTJZSA-N 344.414 4.834 0 50 EJAA C[C@@H]1CCC[C@@H](C)N1C(=O)CCCOc1ccc(Cl)cc1Cl 4020132 DBIYUFJDAUQTLQ-CHWSQXEVSA-N 344.282 4.942 0 50 EJAA Cc1cc(C)c(NC(=O)CSCc2ccc(F)cc2)c(Cl)c1 4821499 XAODKHZVBLIUEK-UHFFFAOYSA-N 337.847 4.968 0 50 EJAA CC(C)(C)C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 12120237 JGELJGFCVIQLHC-KRWDZBQOSA-N 344.430 4.971 0 50 EJAA CCCN(C(=O)OC(C)(C)C)c1ccc(Br)c(F)c1 261494048 OOORRNJXBBUCHP-UHFFFAOYSA-N 332.213 4.740 0 50 EJAA Cc1nnc(-c2cccc(NC3CC(c4cc(F)cc(F)c4)C3)c2)o1 367376584 BVBIKKIVUJFKBH-UHFFFAOYSA-N 341.361 4.681 0 50 EJAA Cc1cc(N[C@H](C)c2ccc(C(F)F)nc2)ccc1N1CCCC1=O 1261602434 UFPBZGFCBRIPNQ-CYBMUJFWSA-N 345.393 4.628 0 50 EJAA Cc1cc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)ccc1F 1474059765 IJWPOTZDWNPMRP-UHFFFAOYSA-N 335.426 4.946 0 50 EJAA Cc1cc(C(=O)Nc2cccc3ccn(C)c23)c2c(c1)[C@@H](C)CCN2 2325842483 ZVPRJYDKKGLXAV-AWEZNQCLSA-N 333.435 4.658 0 50 EJAA Cc1nnc2c3ccccc3nc(-c3ccc(Cl)cc3Cl)n12 453113 YTHPGNULMXTHKV-UHFFFAOYSA-N 329.190 4.560 0 50 EJAA Clc1ccc(OCCCCN2CCCCC2)c(Br)c1 3001042 SMWAXPTYVZWKLL-UHFFFAOYSA-N 346.696 4.747 0 50 EJAA O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2c2c1CCC2 4038762 LQYBXVQIAAEUFZ-UHFFFAOYSA-N 344.769 4.653 0 50 EJAA COc1cc(Cl)cc(/C=C/c2ccc3cccc(O)c3n2)c1OC 4123952 DJAZMKZCTDJYCP-VQHVLOKHSA-N 341.794 4.781 0 50 EJAA O=C(Oc1ccc2c(c1)C(=O)CCC2)c1cc2sccc2s1 2325824744 OOLRABPBMXEWBK-UHFFFAOYSA-N 328.414 4.701 0 50 EJAA CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)cc1 299337 DLSSXINRRKDNSR-HNNXBMFYSA-N 345.855 4.726 0 50 EJAA Cc1cccc(C(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c1 477255 ZGPBNXQTQDRLOC-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA COc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(OC)c1 618322 XEILPROJCTVEJH-UHFFFAOYSA-N 333.387 4.623 0 50 EJAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(F)cccc1F 12380746 KLELVSKSUJLDQO-GFCCVEGCSA-N 327.330 4.524 0 50 EJAA C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 13320480 JCNXIDCATIXBOV-SECBINFHSA-N 343.736 4.637 0 50 EJAA CC(C)Oc1ccc([C@@H](O)[C@H](C)NCCCCc2ccccc2)cc1 71769681 QDKRPNIRRVUUQY-AVRDEDQJSA-N 341.495 4.508 0 50 EJAA c1ccc2c(-c3nnc(SCCc4ccncc4)o3)cccc2c1 126909633 FPRHDUIAIMABOY-UHFFFAOYSA-N 333.416 4.620 0 50 EJAA Cc1ccc(Cn2c[n+](Cc3ccc(C)cc3)c3ccccc32)cc1 169445153 HRWLXEGLJKOIHO-UHFFFAOYSA-N 327.451 4.642 0 50 EJAA Cc1cc(C)cc([C@@H](C)NC(=O)c2ccccc2-c2ccncc2)c1 1359940921 FSQJZJYWCBLFRL-QGZVFWFLSA-N 330.431 4.856 0 50 EJAA COc1cccc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)n1 1875328884 PZQAUMLJCLMKLB-HNNXBMFYSA-N 344.418 4.578 0 50 EJAA CC(C)C[C@@H](CN[C@@H](c1ccccc1)C(C)(C)O)Cc1ccccc1 1875345494 ZETITNHTKQAYGL-IRLDBZIGSA-N 339.523 4.993 0 50 EJAA O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(Cl)cc1 297912 FRIQPHRAZJOBMU-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA COc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 299695 WWKBLQHUSFWPEW-UHFFFAOYSA-N 343.732 4.549 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Oc1ccc(SC)c(C)c1 399719 OBCIBBVJJMBTLV-UHFFFAOYSA-N 337.828 4.990 0 50 EJAA COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 466790 PAIVVBHWAVCZSJ-UHFFFAOYSA-N 347.414 4.977 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 476027 FZZQDIDKXOQRRZ-SNVBAGLBSA-N 343.732 4.765 0 50 EJAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1 104402052 XLIYENZIUOKTLX-HKUYNNGSSA-N 325.500 4.591 0 50 EJAA C[C@H]1C(=O)Nc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc21 135709088 UXLJYVNTISNUSL-SNVBAGLBSA-N 339.395 4.748 0 50 EJAA COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 239046965 GAHFOJIJYCNZSE-LGMIBIRUSA-N 349.430 4.690 0 50 EJAA C[N+]1=C(/C=C/c2coc3ccccc3c2=O)C(C)(C)c2ccccc21 685944290 IOTSQRNHYUHQOV-OUKQBFOZSA-N 330.407 4.512 0 50 EJAA C[C@H](NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCCC2 1466720173 VRQPXHNGMSBXPL-HNNXBMFYSA-N 332.447 4.548 0 50 EJAA Brc1ccc2[nH]c3ccc(Br)cc3c2c1 120197 FIHILUSWISKVSR-UHFFFAOYSA-N 325.003 4.846 0 50 EJAA biogenic CC1(C)Cc2nc3ccccc3c(NCc3ccccc3)c2[C@@H](O)C1 190485 SZXBXNVDYMXTKW-IBGZPJMESA-N 332.447 4.853 0 50 EJAA CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)cc1 299341 DLSSXINRRKDNSR-OAHLLOKOSA-N 345.855 4.726 0 50 EJAA CCc1c(C)sc(NC(=O)c2ccc(F)cc2)c1C(=O)OC(C)C 442282 WTNCWNQNZHWOPK-UHFFFAOYSA-N 349.427 4.576 0 50 EJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Cl)cc1 456197 LEUUQPOUJRNFNP-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 468687 UFUHJAURAOIODI-IERDGZPVSA-N 345.398 4.580 0 50 EJAA C[C@@H](C(=O)OCc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 1396652 KAMVZPJAIUQSHQ-SNVBAGLBSA-N 343.732 4.601 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)Cc4cccs4)cc3)[nH]c2c1 4649259 BSBPSAZERAVRKV-UHFFFAOYSA-N 347.443 4.781 0 50 EJAA aggregator COc1ccc(CC[C@@H](C)NCc2ccc(C(F)(F)F)cc2)cc1 4986618 NBJBXFLLQSQLPV-CQSZACIVSA-N 337.385 4.825 0 50 EJAA CC(C)=CCC[C@@H](C)CN1CCN(C/C=C/c2ccccc2)CC1 19633573 OAESBAAOJNZKTB-CDDKBXLESA-N 326.528 4.700 0 50 EJAA Cc1ccc2oc(C(=O)N(Cc3ccco3)c3ccccn3)c(C)c2c1 28251705 IBLNPMOCQJNWNN-UHFFFAOYSA-N 346.386 4.885 0 50 EJAA CC(C)N(CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCCC1)C(C)C 33639061 QTMYUJVVJGBKNX-PKOBYXMFSA-N 349.540 4.850 0 50 EJAA O=C(N1CCC[C@@H]1c1ccccc1F)C12CC3CC(CC(C3)C1)C2 36621171 GWHNJOLYHGGQAQ-KXDMBUCYSA-N 327.443 4.706 0 50 EJAA CC[C@H](C)N(Cc1ccsc1)Cc1cccn1-c1cccnc1 55244463 ISQYJYMLDCFIMI-INIZCTEOSA-N 325.481 4.735 0 50 EJAA CCCCN(Cc1ccsc1)C(=O)c1cccc(NC(=O)CC)c1 55282802 LCMXMFPXGHFUAC-UHFFFAOYSA-N 344.480 4.539 0 50 EJAA CCc1nnc(CN[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)o1 181239300 YSVNNEQARGQWAP-SIKLNZKXSA-N 347.462 4.583 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253497470 XTAARPJDFFXHGH-BIMYGMCESA-N 346.511 4.920 0 50 EJAA biogenic CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(O)cc3O)ccc21 1471638048 NYTZPMYAODQFTQ-UHFFFAOYSA-N 339.435 4.699 0 50 EJAA Brc1ccc(CSc2nnc(-c3ccccc3)o2)cc1 115475 YDJAOINOTAKOOZ-UHFFFAOYSA-N 347.237 4.791 0 50 EJAA CC[C@H]1CCc2c(sc(NC(=O)C3CCC3)c2C(=O)OC(C)C)C1 355889 ONRBBKQSJMDFNA-LBPRGKRZSA-N 349.496 4.567 0 50 EJAA COc1ccc(OC)c(NC(=O)Oc2cc(Cl)cc(Cl)c2)c1 398437 DLQDAXQSYMFCJC-UHFFFAOYSA-N 342.178 4.622 0 50 EJAA Cc1cc(C)c(NS(=O)(=O)c2cccc3ccccc23)c(C)c1 472486 QECXDWMWSBLQAJ-UHFFFAOYSA-N 325.433 4.566 0 50 EJAA COc1ccccc1[C@@H](CCNCc1ccc(F)cc1)c1ccco1 2407362 QUHRQQMZKRQEOB-LJQANCHMSA-N 339.410 4.739 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 2789325 QCRKVVGQEHOSTN-UHFFFAOYSA-N 344.625 4.837 0 50 EJAA C[C@@H](CC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 2819168 SVPXMZMYETUJKI-ZDUSSCGKSA-N 329.469 4.718 0 50 EJAA C/C=C/c1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1 2991246 LOJMGKSLKJPZLW-FNORWQNLSA-N 342.435 4.893 0 50 EJAA Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 25762883 ZOVRBHYAISZQDK-FXAWDEMLSA-N 334.350 4.661 0 50 EJAA c1ccc(CN2CC[C@@H]([C@@H](c3ccccc3)c3ccccn3)C2)cc1 71769336 BLHARDLNGUCJNB-FYYLOGMGSA-N 328.459 4.736 0 50 EJAA Fc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1F 72448241 AZXHWWFXVWLWAG-UHFFFAOYSA-N 336.345 4.515 0 50 EJAA CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCc2cccs2)s1 82121116 KDRYNKVXMXYKNE-CQSZACIVSA-N 347.505 4.640 0 50 EJAA O=C(O)c1cc(Cl)ccc1Oc1ccc(Br)cc1 109994414 LBMPVUUQBQVVTO-UHFFFAOYSA-N 327.561 4.593 0 50 EJAA C[C@@H]1c2ccccc2O[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299752055 SOMBAGLBFCGAKL-SKSLQVBQSA-N 348.402 4.552 0 50 EJAA CSc1cccc(CNC(=O)N(Cc2sccc2C)C2CC2)c1 426705906 VVTVHFJUUNTBIK-UHFFFAOYSA-N 346.521 4.653 0 50 EJAA CC(C)(CNC(=O)NCc1cccc2ccccc12)c1ccccc1 1226998770 UUCWTNXPEWWFIS-UHFFFAOYSA-N 332.447 4.617 0 50 EJAA Cc1ccc(Sc2ccnc(N[C@@H]3CC[C@@]4(C3)CC4(F)F)n2)cc1 1875408548 YVUYZCSYXKOVCE-CXAGYDPISA-N 347.434 4.926 0 50 EJAA CC(C)(C)c1cnc(Cl)c(NC(=O)c2cncc(C3CC3)c2)c1 2325806109 VBBGNPDCQXMYJB-UHFFFAOYSA-N 329.831 4.557 0 50 EJAA CC(=O)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 147130 DUOQXWOEKUGNGR-MDZDMXLPSA-N 334.202 4.848 0 50 EJAA CC[C@H](C)c1ccc(-c2csc(NC(=O)CCCC(=O)O)n2)cc1 1000883 AGILXBJREXFFKQ-LBPRGKRZSA-N 346.452 4.517 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1C 1055546 OXZPHYWXQKNMSW-OAHLLOKOSA-N 334.419 4.758 0 50 EJAA CCc1ccc(OCc2nc(-c3cc(C)nc4ccccc34)no2)cc1 1426801 XRSCNVSWJDQTOG-UHFFFAOYSA-N 345.402 4.735 0 50 EJAA O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1 1977915 NPJSUBBOFLHQOL-UHFFFAOYSA-N 348.398 4.946 0 50 EJAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)NCc1ccccc1 4541832 UHNBLWIMVJUHTO-UHFFFAOYSA-N 339.822 4.849 0 50 EJAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1 4842107 NZCNSWICIWWONS-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(F)c1 4865907 AFIFEUMWIYFPPZ-UHFFFAOYSA-N 347.349 4.590 0 50 EJAA c1ccc(-c2onc3ccc(-c4nnc(-c5ccco5)o4)cc23)cc1 11692899 BGKMQQCXAYYVCX-UHFFFAOYSA-N 329.315 4.805 0 50 EJAA Cc1cnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)s1 13326253 ZCBLNTZIKJTLIA-UHFFFAOYSA-N 345.251 4.554 0 50 EJAA NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc2ccccc12 17130766 RHCHXVVQJIYBMQ-ATJXCDBQSA-N 348.789 4.571 0 50 EJAA Cc1cccc(N2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)c1 19758723 DFGRARRIIJFCBL-LICLKQGHSA-N 334.400 4.717 0 50 EJAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3)nc21 20603452 CMPGBWQGZYKVOA-UHFFFAOYSA-N 347.390 4.640 0 50 EJAA CCOC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 44713493 ZPVLZVUVYKMVIX-UHFFFAOYSA-N 330.427 4.974 0 50 EJAA CCCc1ccc2oc(C(=O)N(CC)Cc3ccncc3)c(C)c2c1 77342645 ACLOABYDOXGXEK-UHFFFAOYSA-N 336.435 4.751 0 50 EJAA CC1(C)C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 257358835 WSGNVOUHNLZNHQ-JTBILLDWSA-N 330.512 4.905 0 50 EJAA CCCc1cc(O)nc(/C(=C/c2cnc(C(F)(F)F)s2)CC)n1 408515082 HBQHKAOJDNMUGI-RMKNXTFCSA-N 343.374 4.561 0 50 EJAA Cc1ccc(CNCc2ccc(Br)c(Cl)c2)cc1F 675076126 YZZIMBVNQDVPME-UHFFFAOYSA-N 342.639 4.840 0 50 EJAA O=C(Nc1ccccc1F)c1ccc(COc2ccccc2Cl)o1 115537 GNBWZGHFWSQXHZ-UHFFFAOYSA-N 345.757 4.903 0 50 EJAA Cc1cc(C)cc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 116530 PGYPNBFPZZMWEQ-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccnc2)c1 348370 FVAZFFGPGLNAPD-UHFFFAOYSA-N 329.447 4.724 0 50 EJAA COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 437703 ILKGZCQNPRKMJP-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA S=C(NCc1ccco1)Nc1cc(Cl)c(Cl)cc1Cl 2858022 CNXBWQVOWLRYBI-UHFFFAOYSA-N 335.643 4.726 0 50 EJAA O=C(Nc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 3127976 DGKLPJSPVJYNKY-ATKRNPRHSA-N 325.411 4.922 0 50 EJAA c1ccc(COc2ccc(OCCN3CCCCCC3)cc2)cc1 4985668 YCWRKRSKWBQGCG-UHFFFAOYSA-N 325.452 4.520 0 50 EJAA c1ccc2c(c1)CC[C@@H]2NCc1c[nH]nc1-c1cc2ccccc2o1 12434312 ABPZFWYSAZFVOZ-SFHVURJKSA-N 329.403 4.600 0 50 EJAA Cc1cccc(CSc2nnc(CCC3CCCCC3)n2C)c1 17067602 BNJKYCPPYQDYQJ-UHFFFAOYSA-N 329.513 4.929 0 50 EJAA O[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccco1)c1ccccc1 65396087 POHZBYXPJBYCSE-SFHVURJKSA-N 330.387 4.544 0 50 EJAA Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@H]3c3ccccc3)c2c1 95529257 OFTBZBFGGIGCGF-FQEVSTJZSA-N 330.431 4.747 0 50 EJAA O=C(OC1CCCCC1)c1cnc(OC2CCCCC2)c(Cl)c1 238853927 LROLFGOLKBPKPM-UHFFFAOYSA-N 337.847 4.936 0 50 EJAA CC[C@@H]1CCCC[C@H]1CNCc1c(C(C)C)nc2sc(C)nn12 1474163905 FRUPOQFPIWLRHZ-CABCVRRESA-N 334.533 4.529 0 50 EJAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(C)C)cc1 454657 HQVPMLWUYGJJIA-UHFFFAOYSA-N 334.419 4.661 0 50 EJAA Cc1ccc(Cn2ncc3c(Nc4ccc(C)c(C)c4)ncnc32)cc1 521652 IANOWXGIZPEXBJ-UHFFFAOYSA-N 343.434 4.543 0 50 EJAA Cc1cc(C)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 562642 KIIWXIAMVCMVBV-UHFFFAOYSA-N 325.721 4.685 0 50 EJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 1170331 SQUFSXISKFVIEA-MRXNPFEDSA-N 332.403 4.836 0 50 EJAA C[C@@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)OC21CCCCC1 1431821 IKGDXTBFOPJQBM-SFHVURJKSA-N 344.842 4.748 0 50 EJAA Cc1ccc(NC(=O)CCc2ccccc2Br)c(C)c1 4542936 HXJBGUBCBWLQEX-UHFFFAOYSA-N 332.241 4.637 0 50 EJAA Cc1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5730532 JOHQHIAODAVDAN-UHFFFAOYSA-N 336.265 4.618 0 50 EJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC3CCOCC3)cc12 15075483 DRDBCTJVXHBUGI-UHFFFAOYSA-N 338.426 4.551 0 50 EJAA c1ccc(-c2ncn(Cc3cc(-c4cccnc4)no3)c2C2CC2)cc1 65500941 DLIKXPPUADFTOY-UHFFFAOYSA-N 342.402 4.526 0 50 EJAA Cc1ccc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)nn1 72436804 KEWKGHIGMWOBFA-UHFFFAOYSA-N 338.455 4.828 0 50 EJAA COc1cccc2ccc(CN(C)[C@@H](C)c3nc(C)sc3C)nc12 215848274 SEDYAYDHFIFTPC-LBPRGKRZSA-N 341.480 4.510 0 50 EJAA O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@H]1C[C@H]1c1cccnc1 252679388 LRWNYPQKAPOWHN-PCCBWWKXSA-N 334.463 4.623 0 50 EJAA COC1CC2(C1)C[C@H]2N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 1875328830 NZVYASAMUCJOBT-JDEYZFBPSA-N 341.417 4.950 0 50 EJAA COc1cc(NC(=O)c2ccc(C)cc2Cl)c(OC)cc1Cl 458279 IOGMBZPHCPXGCB-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)c1ccco1 1077334 UTVJTJHLSIDAQP-ZDUSSCGKSA-N 342.445 4.703 0 50 EJAA Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 2906938 FIEOVIRMGLLWCZ-HZPDHXFCSA-N 334.246 4.829 0 50 EJAA COc1ccc(OCCOc2cccc(Oc3ccccc3)c2)cc1 2985697 WUDPLKKSKQBUID-UHFFFAOYSA-N 336.387 4.945 0 50 EJAA O=C(Nc1ccccc1F)c1cccnc1-c1nc2ccccc2s1 6719475 IBQXNEMZSKAPHY-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CCN(CC)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9236146 AZLJMNMUASDCSH-UHFFFAOYSA-N 326.827 4.695 0 50 EJAA O=C(Oc1ccc(Sc2ccncc2)cc1)c1occc1Cl 2325735762 OFXKQXPQCPCCLN-UHFFFAOYSA-N 331.780 4.698 0 50 EJAA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2c2nc3ccccc3n21 107169 YKWULJVVXOGHSJ-LIKPIUCQSA-N 348.405 4.681 0 50 EJAA COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 115719 JGAKQDVUTVBVFP-UHFFFAOYSA-N 332.186 4.995 0 50 EJAA Cc1c(C(=O)Nc2ccccc2Br)oc2ccccc12 136454 ROXINEAIVFXGKE-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2nccs2)cc1 191063 RJCJCGMKEGSAGX-SFHVURJKSA-N 348.471 4.705 0 50 EJAA COc1cccc([C@@H](CC(=O)c2ccccc2)[C@@H]2CCCCC2=O)c1 432066 UBMHPHNAKMZGGG-VQTJNVASSA-N 336.431 4.811 0 50 EJAA Cc1ccc2nc(SCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 4740048 CNPPNCJCMPTQKR-UHFFFAOYSA-N 347.443 4.755 0 50 EJAA C[C@H](c1ccccc1C(O)(c1ccccc1)c1ccccc1)N(C)C 4833135 IFQPCBJQWBPSDY-GOSISDBHSA-N 331.459 4.593 0 50 EJAA C[C@@H](NCCC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1 6267465 BKUWJLSGSGRXBD-NTKDMRAZSA-N 345.486 4.920 0 50 EJAA CC(C)c1ccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)cc1 6668087 XMKCFHPDIDGXBZ-VMPITWQZSA-N 347.447 4.542 0 50 EJAA COc1ccc(-c2nc(CN3CCCC[C@H]3C)c(C)o2)c(C)c1C 20997583 JOIIMOAUGRADGC-CYBMUJFWSA-N 328.456 4.650 0 50 EJAA CCCn1c(C(=O)Nc2ccc(C)cc2CN(C)C)cc2ccccc21 170605068 PYWNKHLXKJOESS-UHFFFAOYSA-N 349.478 4.674 0 50 EJAA CSc1cccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 426582786 IAOHXQMIPYNYNP-UHFFFAOYSA-N 328.481 4.730 0 50 EJAA O=C(Nc1ccc(F)c(F)c1)C1c2ccccc2Oc2ccccc21 182639 ADFJOKCFXSDSTM-UHFFFAOYSA-N 337.325 4.841 0 50 EJAA Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)O)cc2)c1 313207 AVYIQWTXJXPCGL-UHFFFAOYSA-N 341.407 4.714 0 50 EJAA COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(C)C 613421 UDZQOYTWJMUDBK-UHFFFAOYSA-N 333.815 4.697 0 50 EJAA CCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CC 1706879 RXUXJHZMTDAMFZ-UHFFFAOYSA-N 334.456 4.873 0 50 EJAA biogenic,in-vitro Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1CCCCC1 6216009 HVJMSTVVPICKJK-UHFFFAOYSA-N 335.407 4.717 0 50 EJAA COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC2 69616921 FZJUPOQMWIJNIJ-LJQANCHMSA-N 336.435 4.553 0 50 EJAA Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3ncsc3c2)o1 155393979 XIEKLSYOTMSPDC-OAHLLOKOSA-N 341.436 4.957 0 50 EJAA CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@](C)(O)[C@@H](O)CO 209935197 CGIHFIDULQUVJG-YRPNKDGESA-N 330.553 4.530 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@@H]34)O1 216399537 LVXICQLAEIUOJT-JKTXMTGKSA-N 344.520 4.708 0 50 EJAA CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccc(Oc3ccccc3)cn2)CCO1 296242425 AXTMGCRZPWTRFS-FIKGOQFSSA-N 340.467 4.728 0 50 EJAA Cc1ccc2ccccc2c1NC(=O)N(C)CCC[C@@H]1CCCO1 299802002 ZVBUIEUSIUBKBA-QGZVFWFLSA-N 326.440 4.571 0 50 EJAA CCN(CCC1CC1)c1nc(-c2cccc(OC)c2)nc2ccccc12 1307090948 PYQVSCKKLPQRIP-UHFFFAOYSA-N 347.462 4.932 0 50 EJAA CC(C)c1ccc(-c2csc(NC(=O)C[C@@H]3CCCOC3)n2)cc1 1529100397 RDKYLDLTTANFLX-AWEZNQCLSA-N 344.480 4.689 0 50 EJAA Cc1nc2sc(-c3nc4ccccc4[nH]3)c(N)c2c(C)c1Cl 91861 ONMKQYJAEJQDQT-UHFFFAOYSA-N 328.828 4.692 0 50 EJAA S=C(Nc1ccc(Br)cc1)c1ccc2ccccc2n1 301956 HRWVJQDTILMXTH-UHFFFAOYSA-N 343.249 4.785 0 50 EJAA COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 321746 HELQVQUSHVDSAY-KPKJPENVSA-N 349.430 4.921 0 50 EJAA Cc1ccc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)cc1 447117 KFOBXXKAVVEYCG-UHFFFAOYSA-N 338.432 4.539 0 50 EJAA Cc1cc(Br)c(NC(=O)[C@H](C)c2ccccc2)cc1C 476051 CIRQQYLHGFBIBW-CYBMUJFWSA-N 332.241 4.808 0 50 EJAA Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccc(Cl)cc1 1124882 RKEAZWICEYWEBT-UHFFFAOYSA-N 328.626 4.885 0 50 EJAA Cc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 2744158 ZNBXLFZVRHHHLA-UHFFFAOYSA-N 345.402 4.891 0 50 EJAA Cc1c(C(=O)Oc2ccccc2F)oc2ccc(Br)cc12 4810328 OAXYKTNWXLHQGB-UHFFFAOYSA-N 349.155 4.862 0 50 EJAA CCN(Cc1ccccc1)Cc1c(C)nc2c(C)c(C)ccc2c1O 8581774 UREBODTZKLAKPE-UHFFFAOYSA-N 334.463 4.888 0 50 EJAA CN(Cc1cnc2ccccc2c1)C(=O)CC12CC3CC(CC(C3)C1)C2 91444835 JICXNJZAIVTSQS-UHFFFAOYSA-N 348.490 4.800 0 50 EJAA O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@@H]1c1ccccc1 111744532 SGJKBQYLFKQARW-GOSISDBHSA-N 338.455 4.757 0 50 EJAA CCCCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 239433698 YIBLLNKVEAJJCJ-ODAXIHTASA-N 337.507 5.362 0 50 EJAA CC(C)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 202416 YVAUAQOIRALSLC-LICLKQGHSA-N 340.810 4.561 0 50 EJAA O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1CCCC1 467250 KPGRRVROZULTPT-UHFFFAOYSA-N 331.415 4.655 0 50 EJAA O=Cc1ccc(OCCOc2cccc(Cl)c2Cl)c(Cl)c1 2866752 LVJFXUOFFMQMIU-UHFFFAOYSA-N 345.609 4.917 0 50 EJAA COc1cc(CN2C[C@@H](C)C[C@H](C)C2)ccc1OCc1ccccc1 4988399 IPERKCREGVUCDW-ROUUACIJSA-N 339.479 4.752 0 50 EJAA CCc1cccc(C)c1NC(=O)CSc1ccc2ccccc2n1 5626994 QTKXCYXENVWKTL-UHFFFAOYSA-N 336.460 4.836 0 50 EJAA Cc1cc(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccco2)[nH]n1 65494795 JFPJHFWQNSQXIR-HNNXBMFYSA-N 332.407 4.645 0 50 EJAA COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccccc1 71384929 MZBFQCSPUMEKSW-UHFFFAOYSA-N 329.403 4.518 0 50 EJAA C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1C2 101737056 BAQRJTWSAPHMNM-JUFZMCDQSA-N 326.362 4.652 0 50 EJAA Cc1ccccc1Oc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 1875333869 OEUNLCMCUMROCS-UHFFFAOYSA-N 343.386 4.916 0 50 EJAA COc1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 103920 SNNQZGNFWUQBKK-UHFFFAOYSA-N 336.416 4.976 0 50 EJAA Cc1cc(Br)ccc1NC(=O)c1cc2ccccc2o1 308474 VWCWZOYQFNIURD-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA Cc1c(C)c2ccc(OCc3c(F)cccc3Cl)cc2oc1=O 407779 UNIYVBHWKBBWEQ-UHFFFAOYSA-N 332.758 4.781 0 50 EJAA CCc1cccc(NC(=O)CCCC(=O)Nc2cccc(CC)c2)c1 476375 LRUCRKFUDKFKNF-UHFFFAOYSA-N 338.451 4.559 0 50 EJAA Cc1ccc(C(=O)[C@H](OC(=O)Cc2ccccc2)c2ccccc2)cc1 571987 ZCYZNMAAPVTGGB-HSZRJFAPSA-N 344.410 4.705 0 50 EJAA CCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1N 2754155 OFTBWUWBIXXGGA-UHFFFAOYSA-N 330.236 4.871 0 50 EJAA C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 2941071 GWXYVSDVNOUEMD-GOSISDBHSA-N 329.443 4.738 0 50 EJAA CC(C)Oc1ccccc1-c1n[nH]c(SCc2ccc(F)cc2)n1 5817443 CYLLEPLISCTYAR-UHFFFAOYSA-N 343.427 4.690 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)c1sc(-c2cccnc2)nc1C 16648676 MTEOQNLQYZZLTP-UHFFFAOYSA-N 343.839 4.728 0 50 EJAA Clc1ccccc1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 825596832 WVVWSXNZBQNCQQ-PMACEKPBSA-N 332.919 4.569 0 50 EJAA C[C@@H](NC[C@@H](O)c1cccc2ccccc12)c1ccc(C(F)F)nc1 850517335 SDTPLFARLZJTQM-BFUOFWGJSA-N 342.389 4.557 0 50 EJAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)C1(c2ccccc2)CCC1 1875305533 WCMMYDBVPLUHBX-XUTJKUGGSA-N 349.474 4.615 0 50 EJAA C[C@H](Oc1ccc(-c2cc(-c3ccccc3)no2)cc1Cl)C(=O)O 2100557447 SQDNEHGZUKATEP-NSHDSACASA-N 343.766 4.514 0 50 EJAA Cc1ncccc1-c1csc([C@H]2CCN(Cc3ccccc3)C2)n1 2325761697 LCEFYZDTOYENOT-KRWDZBQOSA-N 335.476 4.503 0 50 EJAA Cc1ccccc1[C@@H](CC(C)C)NC[C@@H](CO)Cc1ccccc1F 2325842464 ZOBBRRNTLUMKJA-PGRDOPGGSA-N 343.486 4.662 0 50 EJAA CCOC(=O)c1c(C)oc2ccc(OCc3cccc(F)c3)cc12 450301 PCWCXPNIPDWMDQ-UHFFFAOYSA-N 328.339 4.636 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 464065 HDZFFDXCKQKAAE-FMIVXFBMSA-N 326.827 4.592 0 50 EJAA Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1 467000 FTJXVQDNCCHNQD-UHFFFAOYSA-N 325.452 4.510 0 50 EJAA CC(C)(C)c1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427670 CDXNHRKMTARBNS-MRXNPFEDSA-N 348.398 4.532 0 50 EJAA CC(C)(C)c1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427671 CDXNHRKMTARBNS-INIZCTEOSA-N 348.398 4.532 0 50 EJAA CCOc1ccc(NCC(=O)n2c3ccccc3c3ccccc32)cc1 2307822 YUAVIYOXCUHSPT-UHFFFAOYSA-N 344.414 4.946 0 50 EJAA C[C@H]1C[C@H](C)CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 2496964 FJCJTHYUFAKHMZ-STQMWFEESA-N 344.282 4.657 0 50 EJAA CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(Br)cc1 2774129 CJFQCRMOKGWYRC-TZIYXEQSSA-N 338.289 4.795 0 50 EJAA Clc1ccc(Oc2ccc(I)cc2)cc1 15020589 TVALFKNJYMGMJE-UHFFFAOYSA-N 330.552 4.737 0 50 EJAA Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)o1 173580886 SPFIFGJENYQTAQ-SCOAYWHSSA-N 332.403 4.541 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@H]34)O1 257357064 LVXICQLAEIUOJT-CHEUWHBPSA-N 344.520 4.708 0 50 EJAA Cc1cc(-c2nc(O)c3c(-c4ccc(F)cc4)csc3n2)ccn1 432499441 GJYRRWHHYVVZNG-UHFFFAOYSA-N 337.379 4.573 0 50 EJAA Cc1ccc(C(=O)Oc2ccccc2Cl)cc1Br 38617 ZSSUMJYDIJJBKC-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA Cc1ccccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 46494 WXDAOUWLNXDNEH-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA CN(C)c1ccc([C@H](CC(=O)c2ccccc2)[C@H]2CCCCC2=O)cc1 458728 QLISHXSSZNUPKS-RTWAWAEBSA-N 349.474 4.869 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1 475165 JLYWTBJBAQJTNU-VIFPVBQESA-N 328.170 4.539 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1OCC 618448 FHXUNEUMAXKIEV-UHFFFAOYSA-N 333.815 4.698 0 50 EJAA Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)CCCC3=O)cc2)c1 2078912 YYESBXVXXPJMLE-UHFFFAOYSA-N 337.419 4.954 0 50 EJAA Cc1cc(C)c(OCCCNCc2ccccc2)c(Br)c1 2822538 OWZSNURTXDWXRN-UHFFFAOYSA-N 348.284 4.625 0 50 EJAA O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1ccc(Cl)cc1 2864741 TXSHIQPLVMGQSE-UHFFFAOYSA-N 338.819 4.777 0 50 EJAA CC(C)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4133114 ITNCIGYKTVOSNI-HKUYNNGSSA-N 326.827 4.866 0 50 EJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 13845959 XSWDEGDPVXKSFR-WOJBJXKFSA-N 347.414 4.551 0 50 EJAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCc1c(C)noc1C 225509972 PJMOMULGHIXFGN-FQEVSTJZSA-N 337.467 4.681 0 50 EJAA ClC1(Cl)[C@@H]2[C@H]1[C@H]1[C@@H](C[C@@H]3[C@H]2C3(Cl)Cl)C1(Cl)Cl 239339254 LXFGXVWBHKKGFX-XLCKTPMPSA-N 340.892 4.650 0 50 EJAA C[C@@H]1[C@@H](N2C(=O)c3ccccc3[C@@H]2NCc2ccccc2)CCC[C@H]1C 245253899 QUHYUADJNNQICY-XKPGHWPRSA-N 348.490 4.756 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257346260 WKVMGWGAHCQQRX-BMXPDEKXSA-N 332.484 4.530 0 50 EJAA COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCCC2)cc1 426618370 PMXDTWGGGVVRLL-UHFFFAOYSA-N 329.827 4.642 0 50 EJAA Fc1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)cc1F 1199514212 CGEUUMKGBCSJCJ-UHFFFAOYSA-N 335.357 4.892 0 50 EJAA Cc1cc2nc(C)c(NC3CCN(c4ccccc4)CC3)nc2cc1C 1875341969 QYOKDWGFEXXTNL-UHFFFAOYSA-N 346.478 4.636 0 50 EJAA O=C1c2ccccc2CC[C@H]1CSc1ccc(Br)cc1 403765 NHWMBAYJIOSZGI-ZDUSSCGKSA-N 347.277 4.987 0 50 EJAA CC[C@@H](C(=O)N(Cc1ccccc1)c1ccccn1)c1ccccc1 442270 QEBIWXWEYBHQAJ-HXUWFJFHSA-N 330.431 4.809 0 50 EJAA O=C(Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1 443888 NTOFRIMRSVDNML-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA CC(C)(C)c1ccc(SC2=CS(=O)(=O)c3ccccc32)cc1 465351 VLVCAOPETIBDPF-UHFFFAOYSA-N 330.474 4.862 0 50 EJAA C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1 1230332 DVEKMWVXQDMHNZ-HNNXBMFYSA-N 345.398 4.543 0 50 EJAA Cc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 2068633 GZSLFJIYPFYCCU-GOSISDBHSA-N 330.431 4.576 0 50 EJAA CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(F)cc1 3893676 IQVNMMVBSUUHKO-FMIVXFBMSA-N 326.396 4.641 0 50 EJAA CC(C)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4717715 DHXAOZKBHFRHNT-UHFFFAOYSA-N 326.484 4.578 0 50 EJAA CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 11903229 PLTROUPZNSCFQK-CYBMUJFWSA-N 339.464 4.553 0 50 EJAA CSC1=NC(C)(C)C=C(/C=C/c2c(Cl)cccc2Cl)N1 13125367 FGDDFWOYMWOYQE-BQYQJAHWSA-N 327.280 4.991 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 15204506 PQCRZWCSVWBYSC-HMPZBHLVSA-N 328.452 4.570 0 50 EJAA biogenic O=C(Nc1ccon1)c1cc(-c2ccccc2Cl)nc2ccccc12 17072633 MNIHTVMKLJLKEY-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 20775926 PUAJRTPPCJYCLZ-GOSISDBHSA-N 325.481 4.770 0 50 EJAA C[C@@H](c1ccccc1)N(C(=O)[C@H]1CCC(=O)C[C@H]1C)C1CCCC1 328595358 SEDNSHWZWNUFOC-GUXCAODWSA-N 327.468 4.524 0 50 EJAA CCCC[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H](C(C)C)O1 1857734193 NLIYHGRPCFKMGY-RHSMWYFYSA-N 341.854 4.535 0 50 EJAA Cc1noc(CC2(N[C@H](C)c3ccc(-c4cccs4)cc3)CC2)n1 2325829765 RZXMNBKHLLMZQF-CYBMUJFWSA-N 339.464 4.532 0 50 EJAA Clc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 186807 GXJZWXSSSIXTRA-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA Clc1ccc(OCc2cccs2)c(CNCc2cccnc2)c1 570822 WOQQWLYYOPBOGN-UHFFFAOYSA-N 344.867 4.665 0 50 EJAA Cc1cccc(O[C@]2(c3ccccc3)OC(=O)c3ccccc32)c1C 2893094 LXYDGVHSERPTOS-JOCHJYFZSA-N 330.383 4.754 0 50 EJAA aggregator CCN(Cc1ccccc1)C(=O)c1c(Cl)nc(C)c(Cl)c1C 3620583 MFOZNPVJHRHRLP-UHFFFAOYSA-N 337.250 4.668 0 50 EJAA CC(/C=C1\SC(=O)N(c2ccc(O)cc2)C1=O)=C\c1ccccc1 5028716 SBULCXPNJGZXRW-YMGXUNRSSA-N 337.400 4.579 0 50 EJAA CCCOc1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1 5567951 PJJBXDQHSUZBDR-UHFFFAOYSA-N 346.434 4.962 0 50 EJAA Cc1ccc(-c2cc(CN3CCCC[C@H]3c3ccccn3)on2)cc1 72171423 LEMVLTFKPZSYJH-NRFANRHFSA-N 333.435 4.772 0 50 EJAA Cc1noc(C)c1[C@@H](C)C(=O)Oc1ccccc1SC(F)(F)F 132019647 ZOBUHTYKFQROCS-MRVPVSSYSA-N 345.342 4.612 0 50 EJAA COc1cccc([C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 229382070 ZUJHOXBTSAZDJK-NVXWUHKLSA-N 336.435 4.777 0 50 EJAA C[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@H]21 239347372 MULDAFDMOJEJEP-AIDNLNPPSA-N 336.475 5.382 0 50 EJAA biogenic Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1C 108735 ONDBTMPHFORSJE-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 370127 COMMMKZADCHFBL-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 395161 JYPVEPSDXKIORG-UHFFFAOYSA-N 346.430 4.930 0 50 EJAA COc1ccc(NC(=O)c2ccccc2Oc2ccccc2)c(OC)c1 445264 ZMQRPNVOVWHQHF-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)O 1382728 LFNWENISFRVEBE-UHFFFAOYSA-N 329.808 4.975 0 50 EJAA C[C@@H](CCC(C)(C)C(=O)OC[C@H]1CO1)c1c(Cl)cccc1Cl 43681898 VALBCASDXQVOLS-NWDGAFQWSA-N 345.266 4.845 0 50 EJAA CC(C)(C)OC(=O)n1cc([C@H](O)c2cccs2)c2ccccc21 95218077 TURJSXLXTAJRCP-INIZCTEOSA-N 329.421 4.568 0 50 EJAA CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nc(C(F)F)nc2ccccc12 170631091 HTDTWJIGOROLGT-SWLSCSKDSA-N 349.425 4.821 0 50 EJAA CCCn1ncc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c1C1CC1 452470016 XQKZKXIYPKOCME-AWEZNQCLSA-N 343.446 4.517 0 50 EJAA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nccs2)cc1 47648 QMYLXDLFRGUKTF-UHFFFAOYSA-N 346.496 4.874 0 50 EJAA Cc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2C)n1 106914 OUERFDZIKTYURG-UHFFFAOYSA-N 325.803 4.629 0 50 EJAA CC(C)CNC(=O)C[C@H](c1ccccc1)c1c(O)ccc2ccccc12 226882 AGSRGDSSSTYNSQ-HXUWFJFHSA-N 347.458 4.840 0 50 EJAA CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)cc1 609785 DZJJXEJRIMUKRZ-HNNXBMFYSA-N 328.481 4.750 0 50 EJAA S=C(Nc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 619302 AWCJHXNVYJWKTG-UHFFFAOYSA-N 344.911 4.992 0 50 EJAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1 1777948 NAMOFWSPJSYRSF-VGOFMYFVSA-N 339.435 4.915 0 50 EJAA O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1ccccc1 2052375 ZDQDDPCBEZEEGD-UHFFFAOYSA-N 329.443 4.645 0 50 EJAA Fc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(F)c1 4020566 VGXQEISAEAIRBX-OAHLLOKOSA-N 330.359 4.975 0 50 EJAA O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 4244882 YQYLLBSWWRWWAY-UHFFFAOYSA-N 338.410 4.536 0 50 EJAA in-vitro CCCCOc1ccc(-c2cc(=O)oc(-c3cccs3)n2)cc1 6719005 WEAWVEQBMBACJR-UHFFFAOYSA-N 327.405 4.609 0 50 EJAA CCCCCCOc1cc(CO)c(OCCCCCC)cc1CO 25756971 KBBZJMOHRIQCDC-UHFFFAOYSA-N 338.488 4.589 0 50 EJAA CC[C@H](c1ccccn1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91770196 LBGHRHVLNOBAAX-GOSISDBHSA-N 335.451 4.711 0 50 EJAA C=Cc1ccc(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1 170595803 SZPBULIXMFQUIJ-LBPRGKRZSA-N 340.370 4.686 0 50 EJAA C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(CC(F)(F)F)c1 174321615 DUIBFHCLKLDPSM-ZDUSSCGKSA-N 348.368 4.943 0 50 EJAA CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@](C)(O)[C@@H](O)CO 209935059 CGIHFIDULQUVJG-MUGJNUQGSA-N 330.553 4.530 0 50 EJAA in-vitro CC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 215168154 AWMAKGYMQFUTHX-KRWDZBQOSA-N 335.451 4.711 0 50 EJAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1cccnc1 263588636 WLNYBYZZLKSEMC-NRFANRHFSA-N 341.414 4.655 0 50 EJAA Cc1oc(-c2ccccc2)nc1C[S@](=O)CC=Cc1ccccc1 1857532168 VRNJLPPVXALICB-XMMPIXPASA-N 337.444 4.612 0 50 EJAA Cc1cccc2[nH]c(=NCc3ccccc3-c3ccncc3)sc12 1875356454 LBABWPWVASOKOX-UHFFFAOYSA-N 331.444 4.701 0 50 EJAA Clc1ccc(Oc2ccc(NC[C@@H]3[C@@H]4CCOC[C@H]43)cc2)cc1 2325863262 BTFPAZVTYYGBRE-IPMKNSEASA-N 329.827 4.827 0 50 EJAA c1cnc2c(Oc3ncnc4sc5c(c34)CCCC5)cccc2c1 124409 VCQOVGDCILAHQJ-UHFFFAOYSA-N 333.416 4.911 0 50 EJAA COC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C)c1C 476529 KRJBDPBIPAJJEL-UHFFFAOYSA-N 331.437 4.527 0 50 EJAA CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(C)cc1 2453749 DWOOFJSAOKPTBC-UHFFFAOYSA-N 327.428 4.705 0 50 EJAA Cc1ccc(C(C)C)c(OCCCn2c(=O)oc3ccc(C)cc32)c1 2865575 LCUMYLZFROCOCQ-UHFFFAOYSA-N 339.435 4.804 0 50 EJAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(Cl)c1C 17070421 JLQBFVCRZDRUOP-UHFFFAOYSA-N 343.839 4.728 0 50 EJAA CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)on1 64985013 GKVJXIDNQASHRQ-HNNXBMFYSA-N 333.819 4.568 0 50 EJAA Oc1cc(C2CCN(Cc3ccc(C4CCCC4)s3)CC2)ccn1 1772707633 WDXUIGXGNUXIGH-UHFFFAOYSA-N 342.508 4.886 0 50 EJAA O=C(Nc1cccnc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 265160 SUIYEXXMNJJEQT-UHFFFAOYSA-N 333.174 4.901 0 50 EJAA CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 460361 YTTVOIBMKWXMGB-MDWZMJQESA-N 327.855 4.967 0 50 EJAA CCc1ccccc1NC(=O)CSCc1c(F)cccc1Cl 581839 MEAYZGZQVZUXRI-UHFFFAOYSA-N 337.847 4.913 0 50 EJAA CCCCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 1791011 UPOCQAKYUKVPHL-UHFFFAOYSA-N 342.420 4.834 0 50 EJAA COc1ccc(-c2nc(-c3cccc4ccccc34)cc(=O)o2)cc1 2852008 DTDUCGMNQVORFI-UHFFFAOYSA-N 329.355 4.531 0 50 EJAA CCSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 4304970 NFGMFMKQRJLMIG-UHFFFAOYSA-N 341.461 4.569 0 50 EJAA COc1cccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c1 15866962 FMNVAFDAVHJWJG-INIZCTEOSA-N 330.453 4.906 0 50 EJAA Cc1oc(-c2cccs2)nc1CN(C)Cc1cccc2cnccc12 19771188 GAZJAIKLCCXBMP-UHFFFAOYSA-N 349.459 4.892 0 50 EJAA CC(C)c1ccc(NCc2cccnc2Oc2ccccc2F)nn1 67774231 SZPGVQNTAJOJKW-UHFFFAOYSA-N 338.386 4.539 0 50 EJAA O=C(c1ccc(-c2ccoc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 67817832 GUUYVDKVHDEFHQ-GOSISDBHSA-N 346.430 4.752 0 50 EJAA CN(C(=O)Nc1scnc1C1CC1)[C@H]1CCCC[C@H]1C(F)(F)F 463638860 JVRVRQKDGDDJNQ-MNOVXSKESA-N 347.406 4.605 0 50 EJAA Fc1ccc([C@H]2CCCCN2c2nc3ccc(F)cc3o2)c(F)c1 1458253984 RQMZNLVXLFGIOO-MRXNPFEDSA-N 332.325 4.977 0 50 EJAA c1ccc(CSc2nc3ccccc3n2Cc2ccccn2)cc1 95089 VSGUHKUROHVBAB-UHFFFAOYSA-N 331.444 4.772 0 50 EJAA CC1CCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1 131080 IEGLTMYVYXYHSX-FMIVXFBMSA-N 335.447 4.537 0 50 EJAA CCOc1ccccc1OCC(=O)Oc1ccc(C)cc1C(C)(C)C 148515 ACBHELNIQWERLR-UHFFFAOYSA-N 342.435 4.676 0 50 EJAA Cc1ccc2c(c1)c1c3n2CC(=O)N([C@@H](C)c2ccccc2)[C@H]3CCC1 190448 SVWIFMOPOCWQOQ-KKSFZXQISA-N 344.458 4.931 0 50 EJAA biogenic O=C1C(Nc2ccccc2)=C[C@@H](c2cccc(F)c2)N1c1ccccc1 191505 MAPYSZNNGNHTEB-NRFANRHFSA-N 344.389 4.910 0 50 EJAA CCC[C@@H]1C[C@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O 6783509 AWWCQCQLZUISCS-FZKQIMNGSA-N 330.453 4.774 0 50 EJAA CC(=O)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 12278663 CUWYAXARWIUQIO-UHFFFAOYSA-N 343.492 4.661 0 50 EJAA Cc1sc2[nH]c(=S)n([C@@H]3C[C@@H]3Cc3ccccc3)c(=O)c2c1C 17071597 NSQDUKTXVNCURY-UONOGXRCSA-N 342.489 4.541 0 50 EJAA CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](C(C)C)O2 25582981 NXTMWQFQILLCDW-TZIWHRDSSA-N 336.435 4.611 0 50 EJAA FC1(F)CCN(c2c(Br)cccc2C(F)(F)F)CC1 169725665 BHJLWPOCMVXARC-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA Cc1ccc(CNCc2ccc(Cl)cc2Br)cc1F 675075291 KSIAQYSOXJYCSD-UHFFFAOYSA-N 342.639 4.840 0 50 EJAA CCC[C@@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 114934 DQCZCIOEXSBBNB-FZKQIMNGSA-N 330.453 4.774 0 50 EJAA biogenic Cc1cc(Cl)ccc1OC(=O)c1cccc(Br)c1 137160 OGZJHMOIOSTWSX-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA COc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 363041 NFPLLIKBFPROEZ-UHFFFAOYSA-N 331.415 4.856 0 50 EJAA O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1Cl 443279 CIEORAGFBOJRMX-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA CC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 612706 RRGQXYDGQSMRDJ-UHFFFAOYSA-N 328.209 4.655 0 50 EJAA O=C(Nc1ccccc1F)c1ccc(CSc2ccccn2)cc1 620164 UOGCBZCSNFMLRE-UHFFFAOYSA-N 338.407 4.765 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 1732154 PXOAPXKYVHUJCO-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA C[C@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 4980672 ZCYQVRRSGRUGSX-MRXNPFEDSA-N 348.412 4.631 0 50 EJAA Cc1ccc(C)c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 5050778 OLTNDLPIMXTHRH-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Cc1oc(-c2cccs2)nc1CN1CCCC[C@@H]1c1nccs1 14977342 HHTLPNYHOZANOS-CQSZACIVSA-N 345.493 4.895 0 50 EJAA CC(C)c1nccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)n1 65380876 HKUMPUWRZBYBHK-UHFFFAOYSA-N 344.418 4.772 0 50 EJAA CC(=O)N[C@H]1C[C@@H](c2ccc(C(C)C)cc2)O[C@@H](c2ccccc2)C1 65397627 KDTUFRQBYHFBPK-VSKRKVRLSA-N 337.463 4.908 0 50 EJAA CCc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 72115485 QNIPWEDKENVAFU-UHFFFAOYSA-N 348.406 4.784 0 50 EJAA O=C(c1ccc2scnc2c1)N1CCCC[C@H]1c1ccc(F)cc1 77470932 PENCWHPACRMAMQ-KRWDZBQOSA-N 340.423 4.803 0 50 EJAA CC(=O)N1CCc2cc(N[C@@H](C)c3cccc(Cl)c3F)ccc21 184641183 XIEREYZEQDPTIM-NSHDSACASA-N 332.806 4.561 0 50 EJAA Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[N@@]2Cc2ccccc2)cc1 1857795332 RLTHUIVLGQTWJM-AOHZBQACSA-N 327.427 4.803 0 50 EJAA COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 272724 LFZFBMJOSQLOKG-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA Cc1ccc2occ(CC(=O)Nc3ccccc3C(F)(F)F)c2c1 2873063 DSASQHSPBSBDFX-UHFFFAOYSA-N 333.309 4.941 0 50 EJAA Cc1cccc(-c2nc(=S)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 2876708 CFHZAIREYRLZPC-INIZCTEOSA-N 340.492 4.646 0 50 EJAA O=C(NCCSCc1cccc(Cl)c1)c1ccccc1Cl 2986867 MHZDNLGIOBOVPO-UHFFFAOYSA-N 340.275 4.657 0 50 EJAA CCCCOc1ccccc1NC(=O)C(C(F)(F)F)C(F)(F)F 3618401 UVAJPAOMMSGRJG-UHFFFAOYSA-N 343.267 4.545 0 50 EJAA Cc1cccc(NC(=O)c2ccccc2SCc2ccccc2)n1 6701399 FDXHXOSPJPMWMJ-UHFFFAOYSA-N 334.444 4.935 0 50 EJAA CCc1ccc(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)cc1 20616541 FTIGLAJJOKMDRT-UHFFFAOYSA-N 325.721 4.631 0 50 EJAA Cc1cc(N2CCCCC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216682 RHQHNOFQVDBODW-UHFFFAOYSA-N 340.858 4.657 0 50 EJAA CCCn1cc(-c2ccnc(N[C@H]3CCCc4ccccc43)n2)c(C)n1 48501545 PACGOLXCIHSHDO-IBGZPJMESA-N 347.466 4.548 0 50 EJAA CCn1cncc1Cn1cnc(-c2ccccc2)c1-c1ccc(F)cc1 65384845 CVALBLLZQGPUME-UHFFFAOYSA-N 346.409 4.621 0 50 EJAA COc1ccc2c(c1)CCN(Cc1ccc([C@H]3CCCCO3)s1)C2 215276549 VHRYLGZTKOPQRB-LJQANCHMSA-N 343.492 4.557 0 50 EJAA O=c1c(CN2CCC[C@@H]3CCCC[C@H]32)coc2ccc(Cl)cc12 230136198 UGFOCSQYKWFHRV-SUMWQHHRSA-N 331.843 4.601 0 50 EJAA Cc1ccc(NC(=O)c2oc(CC3CC3)nc2C)cc1C(F)(F)F 252503332 VBHJBRLYMWLXLE-UHFFFAOYSA-N 338.329 4.515 0 50 EJAA CC(C)c1ccc(C[C@@H]2CCN(Cc3cccc(C(=O)O)c3)C2)cc1 263406890 KEDMUYAYFSHYEK-IBGZPJMESA-N 337.463 4.573 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(Br)s2)C1 310030827 XRYNOGWXAPZUGZ-JTQLQIEISA-N 346.290 4.625 0 50 EJAA COc1ccc(-n2cnc3nc4c(c(-c5ccccc5)c32)CCC4)cc1 435706 FPFKLXKJCDKUDR-UHFFFAOYSA-N 341.414 4.585 0 50 EJAA O=C(NCc1ccccc1Cl)[C@@H](c1ccccc1)C1CCCC1 462717 OPFVAOWYACQXHJ-IBGZPJMESA-N 327.855 4.930 0 50 EJAA CC(C)(C)c1ccc(C(=O)c2coc3ccc(Cl)cc3c2=O)cc1 850861 ZRISWGKUXOKJOB-UHFFFAOYSA-N 340.806 4.975 0 50 EJAA O=C(CCCCN1CC[C@H](c2ccccc2)C1)c1ccc(F)cc1 4122133 RBURCGBYRAOMLD-IBGZPJMESA-N 325.427 4.668 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]4CCC[C@]4(C)CC[C@@H]3[C@]2(C)CC1=O 5227740 FASYXTMQFUGQBE-CXICGXRGSA-N 332.484 4.530 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229423551 RPQXDXXKYICBSQ-WHSLLNHNSA-N 338.451 4.595 0 50 EJAA O=C(c1cc2sccc2[nH]1)N1CC=C(c2cccc3ccccc23)C1 430283323 JGDAMPGUZXDZNC-UHFFFAOYSA-N 344.439 4.922 0 50 EJAA CSc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 584904377 TYNSPCQSRXPYIG-SFTDATJTSA-N 344.568 4.637 0 50 EJAA Cc1cc(C)c([C@H](C)N2CC[C@](CO)(Cc3ccccc3)C2)c(C)c1 1875345449 XXTOLZJPVSDCMC-REWPJTCUSA-N 337.507 4.600 0 50 EJAA C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1 23255 XRYJULCDUUATMC-CYBMUJFWSA-N 330.391 4.504 0 50 EJAA in-man O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)cc1 586940 VXYOEJDRNGCIKP-UHFFFAOYSA-N 341.366 4.712 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1nc2c(C)cccc2s1 1510043 OCAJGCGNLVVJTC-UHFFFAOYSA-N 332.812 4.519 0 50 EJAA Cc1ccc(OCCCC(=O)Nc2ccc(Br)cc2)cc1 1775874 QXOAARNYPYZJSA-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1C(F)(F)F 20550744 HKFZMWKIYVLZKU-CYBMUJFWSA-N 336.357 4.848 0 50 EJAA c1ccc(-c2nc3n(n2)[C@@]2(C[C@H]4CC[C@H]2C4)Nc2ccccc2-3)cc1 225350727 VNTHMCZVSXFJFH-WDUKFBBWSA-N 328.419 4.510 0 50 EJAA CC[C@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C 241693951 QJBOLBSXTIZPLP-LSDHHAIUSA-N 342.508 4.819 0 50 EJAA Brc1cnc2sc(SCc3ccccc3)nc2c1 259449722 LXBATAPTIBXRDR-UHFFFAOYSA-N 337.267 4.746 0 50 EJAA C/C(=C\c1ccc(C)cc1)c1nc([C@H](C)OCC(F)(F)F)no1 896607000 QOXIIVDIZBRBSU-OBIHZWKSSA-N 326.318 4.578 0 50 EJAA Cc1[nH]c(-c2ccc(-c3ccc(CO)cc3)o2)nc1-c1ccccc1 1857780719 HERMYHUSWQMBLR-UHFFFAOYSA-N 330.387 4.804 0 50 EJAA C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1cccc(O)c1F 1875334207 DONMYDCUXJNCEM-GFCCVEGCSA-N 341.348 4.613 0 50 EJAA CCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCC(C)CC1)CC3=O 2084329474 MLGQVARHZBUUNP-UHFFFAOYSA-N 340.419 4.578 0 50 EJAA O=C(NC1CC1)[C@H](Sc1ccc2occc2c1)c1ccc(F)cc1 2325827676 NBTCEWJUKJCLPH-GOSISDBHSA-N 341.407 4.684 0 50 EJAA Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 48925 UYCGMMQFKPPSBK-UHFFFAOYSA-N 347.443 4.956 0 50 EJAA O=c1cc(-c2ccccc2Br)oc2ccc(Cl)cc12 57787 QKMNJWQDYXKCNU-UHFFFAOYSA-N 335.584 4.876 0 50 EJAA biogenic,in-vitro Cc1cccc(C)c1NC(=O)CSCc1c(F)cccc1Cl 582462 HSISHRSTKLUSKK-UHFFFAOYSA-N 337.847 4.968 0 50 EJAA Cc1ccc2c(c1)N(C(=O)c1ccc3c4c(cccc14)CC3)CCC2 1125450 XRCXUIACPOQHCD-UHFFFAOYSA-N 327.427 4.840 0 50 EJAA CCCC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 9229917 RTGUMUSLDGSHEV-UHFFFAOYSA-N 331.803 4.723 0 50 EJAA CCc1cc2c(=O)n(-c3ccc(C(C)C)cc3)c(=S)[nH]c2s1 17067876 CSNDTOQVTNDIGT-UHFFFAOYSA-N 330.478 4.796 0 50 EJAA CC(C)C[C@@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 95502667 CXGVCZWCAWJSAK-QGZVFWFLSA-N 332.875 4.512 0 50 EJAA CC[C@@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C 241693950 QJBOLBSXTIZPLP-HUUCEWRRSA-N 342.508 4.819 0 50 EJAA COc1ccc([C@@H]2C[C@]23CC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 245256633 SCWGCMYYEYQDTI-JFJDKTSWSA-N 348.442 4.714 0 50 EJAA Cc1nc2ccc(NC(=O)c3sc(C)nc3-c3ccccc3)cc2[nH]1 345657016 SGVULPBIAWKZNP-UHFFFAOYSA-N 348.431 4.556 0 50 EJAA Fc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 213252 RDWZVFIIQHIFNP-UHFFFAOYSA-N 337.276 4.507 0 50 EJAA O=C(Nc1cccc(Cl)c1Cl)c1ccc(Br)o1 362854 HQSYTRDVQDHEBD-UHFFFAOYSA-N 334.984 4.601 0 50 EJAA CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1OCC=C(C)C 615049 AYSWDXURFBMSBB-UHFFFAOYSA-N 328.408 4.791 0 50 EJAA biogenic O=C(Nc1cccnc1Cl)c1sc2cc(F)ccc2c1Cl 2764491 NMXDUOPEDMLPAO-UHFFFAOYSA-N 341.194 4.995 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccn1 6608174 RAZJUOPQLJCENU-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA Cc1cc(OC(C)(C)c2n[nH]c(=S)n2CC(C)C)ccc1Cl 17071179 GTNCIGIUBBAYRT-UHFFFAOYSA-N 339.892 4.873 0 50 EJAA CCc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(C)cc3)c2n1 20605760 WSQBEXGGHNGHSH-UHFFFAOYSA-N 333.357 4.678 0 50 EJAA Cc1nc([C@H](C)N(C)C(=O)c2c(F)ccc(C)c2Cl)c(C)s1 92077784 XDRGEDBOUQUBNB-VIFPVBQESA-N 340.851 4.694 0 50 EJAA CSc1ccc(CN(C)Cc2nc3cc(C)ccc3s2)cc1 2325841166 GUAYUHWIFKNZLO-UHFFFAOYSA-N 328.506 4.959 0 50 EJAA O=C(c1ccccc1Cl)c1cc(Cl)cc(Br)c1O 58217 YDOASFSKJSZNAO-UHFFFAOYSA-N 346.007 4.693 0 50 EJAA Cc1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1 171348 DWFVFEPOIRSIDP-UHFFFAOYSA-N 327.309 4.877 0 50 EJAA COc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1 473412 XTVPUBYNBIOJCN-UHFFFAOYSA-N 346.430 4.537 0 50 EJAA COc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 556462 WNVZYZYDEMILPC-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA O=S(=O)(Nc1ccccc1Sc1ccccc1)c1cccs1 610587 VYOJZYJZXULQBS-UHFFFAOYSA-N 347.486 4.700 0 50 EJAA O=C(/C=C/c1ccccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 2740079 OXMPNDKPOXANKB-AATRIKPKSA-N 347.670 4.687 0 50 EJAA CCCOc1ccc(CCc2n[nH]c(=S)n2-c2ccccc2)cc1 5694943 SMFXJLYFZLRLBK-UHFFFAOYSA-N 339.464 4.504 0 50 EJAA O=C(Nc1cccc(-c2noc(-c3ccccc3)n2)c1)c1cccs1 6702846 VJBWVZPLDPIPDG-UHFFFAOYSA-N 347.399 4.717 0 50 EJAA CCc1ccc([C@H](C)NC(=S)Nc2cc(C)ccc2OC)cc1 13931071 DCHSVQBSGAJFAO-AWEZNQCLSA-N 328.481 4.614 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)cc1C 17146241 XJIVMPUZBJOAHK-UHFFFAOYSA-N 342.399 4.605 0 50 EJAA CCn1c(SCc2cccnc2Cl)nnc1-c1cccc(C)c1 170620490 COEFMGACDKOTER-UHFFFAOYSA-N 344.871 4.614 0 50 EJAA CCO[C@@H](C)c1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1 1506423185 URUPHSJIHIOAQL-KRWDZBQOSA-N 336.435 4.727 0 50 EJAA COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1 309623 WXFOPYVKVNPEHO-UHFFFAOYSA-N 329.808 4.861 0 50 EJAA COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 1391624 RCIRVWNMADHUIF-UHFFFAOYSA-N 343.351 4.830 0 50 EJAA Cc1nn2c(N3CCCC3)cc(C(C)(C)C)nc2c1-c1ccccc1 2244742 ZBUAXMOYRXFDFL-UHFFFAOYSA-N 334.467 4.602 0 50 EJAA C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 2862804 AFCZHRPRCWYZQN-JKSUJKDBSA-N 325.452 4.629 0 50 EJAA CC(C)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 2864025 YVKRVXIKQKYSTK-UHFFFAOYSA-N 332.241 4.754 0 50 EJAA Cc1ccc(C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 4811102 QDPIIDOUDVYBIT-UHFFFAOYSA-N 348.398 4.508 0 50 EJAA COc1ccccc1-c1nc2ccc(C)cc2cc1CNCC(C)C 12245750 JSQIGOHRIPVXET-UHFFFAOYSA-N 334.463 4.964 0 50 EJAA COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 13745107 OJIDGMUTEYITAZ-QMMMGPOBSA-N 345.251 4.946 0 50 EJAA CSc1ccc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)cc1 23129132 MSYAGRBZGGQPLK-KRWDZBQOSA-N 343.540 4.710 0 50 EJAA Clc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccncn2)cc1 65407770 SEPRJEDHWNGVMQ-UHFFFAOYSA-N 346.821 4.709 0 50 EJAA O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1CCc1cccc(O)c1 82091570 NWCXFTSFQHINQH-LJQANCHMSA-N 348.446 4.501 0 50 EJAA CC1(C)C(C(=O)c2cn(CCCCC(=O)O)c3ccccc23)C1(C)C 95705022 UUTHIAPDCFFQKQ-UHFFFAOYSA-N 341.451 4.761 0 50 EJAA in-vitro CC(C)n1cccc1C(=O)N1CCCCC[C@H]1c1cccc(F)c1 244724657 MYDJFIIGKFMVJD-SFHVURJKSA-N 328.431 4.966 0 50 EJAA CC(C)(C)c1coc(CN2CCCC[C@H]2c2nc3ccccc3o2)n1 892162424 YTKYVAPDVIGLFS-HNNXBMFYSA-N 339.439 4.841 0 50 EJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 1776004394 QUIMTUXXYYORAU-UHFFFAOYSA-N 347.480 4.545 0 50 EJAA Cc1ccccc1C(=O)Nc1nc2ccc(Br)cc2s1 190940 IZEPVNXPSCVUAI-UHFFFAOYSA-N 347.237 4.620 0 50 EJAA CNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 275008 VLWNGXHXOYZSKJ-UHFFFAOYSA-N 348.631 4.754 0 50 EJAA CCc1nnc(NC(=O)c2sc3cc(C)ccc3c2Cl)s1 2757118 JCFMJRZRIDHQNL-UHFFFAOYSA-N 337.857 4.529 0 50 EJAA FC(F)(F)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2ccnn21 2766723 MJFAUAGMMKWIQU-MNOVXSKESA-N 336.144 4.850 0 50 EJAA Cc1cc2c(SCC(=O)c3cc4ccccc4o3)ncnc2s1 4488354 WZGDBSIVQCQVNA-UHFFFAOYSA-N 340.429 4.721 0 50 EJAA Clc1cc(Cl)cc(-c2ccc(CNCc3cccnc3)o2)c1 4841640 ROIYIADUYHIIPY-UHFFFAOYSA-N 333.218 4.938 0 50 EJAA O=C(O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 5667427 VBHXIWLKRXZTPT-UHFFFAOYSA-N 340.382 4.905 0 50 EJAA COc1ccccc1-c1nc(-c2cccc3ccccc23)cc(=O)o1 8237840 IQCMLWMKELSTBJ-UHFFFAOYSA-N 329.355 4.531 0 50 EJAA O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCCCCCC1 15071357 QBLNRTIDTVRXRI-UHFFFAOYSA-N 348.446 4.825 0 50 EJAA C[C@H](c1ccc(O)cc1)n1cnc(-c2ccccc2)c1-c1cccnc1 65371909 MBWXXIDDTCFBRH-MRXNPFEDSA-N 341.414 4.927 0 50 EJAA O=C(NCc1ccccc1)c1cn(CCCCCF)c2ccccc12 96032859 VFLXAWVAWXHMFB-UHFFFAOYSA-N 338.426 4.711 0 50 EJAA in-vitro Cc1sc2nc([C@@H]3CCCCO3)nc(O)c2c1-c1ccc(F)cc1 952884105 XTKHPQLCQKOZSX-ZDUSSCGKSA-N 344.411 4.753 0 50 EJAA C[C@H](NC[C@H]1CCCCO1)c1cc(F)ccc1Oc1cccc(F)c1 1776005044 YTYWBJUIVZZJEX-KBXCAEBGSA-N 347.405 4.977 0 50 EJAA C[C@@H](C(=O)N1CCC[C@@H]1c1nc(C(C)(C)C)co1)c1cccs1 1776005668 FMIHEKABGMQSRH-CHWSQXEVSA-N 332.469 4.501 0 50 EJAA CN1CCO[C@H](c2cccc(-c3c(Cl)ccc4ccoc34)c2)C1 1875405995 UNIVHDDAPULYKX-KRWDZBQOSA-N 327.811 4.756 0 50 EJAA CC(C)(C)C(=O)Nc1ccc(-c2cnc3[nH]cc(C4CCC4)c3c2)cn1 2325839876 HRGLWWXTJUVUEC-UHFFFAOYSA-N 348.450 4.877 0 50 EJAA O=C(NC(=S)Nc1ccc(Cl)cc1)c1cccc2ccccc12 307999 ZGKFZHFFVYHYLH-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 434471 QRUAMGWAMPHWFH-GFCCVEGCSA-N 333.840 4.662 0 50 EJAA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 4162697 JIWPBHDLXKHUIY-SFHVURJKSA-N 332.428 4.740 0 50 EJAA COc1cccc(CCC(=O)Nc2ccc(C)cc2Cl)c1Cl 4542838 JEOJDSJKNJSAKI-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA CC[C@H](C)Nc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 7636200 NQNHFKMPWRHYTD-NSHDSACASA-N 348.372 4.934 0 50 EJAA c1ccc(-c2ccccc2OCCN2CCc3ccccc3C2)cc1 20324348 NFROREFQWKJXAY-UHFFFAOYSA-N 329.443 4.791 0 50 EJAA Cc1ccc(C)c(N2CCN(C/C(Cl)=C/c3ccccc3)CC2)c1 23282241 WMRZHUFZGXLISR-HKWRFOASSA-N 340.898 4.705 0 50 EJAA Cc1ccc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cn1 1875306454 HDYKUMWDOQWMHC-INIZCTEOSA-N 332.451 4.763 0 50 EJAA Cc1ccc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)cn1 1875328855 OXADENBYHSHQGV-MRXNPFEDSA-N 328.419 4.878 0 50 EJAA CN1CCO[C@@H](c2cccc(-c3c(Cl)ccc4ccoc34)c2)C1 1875405996 UNIVHDDAPULYKX-QGZVFWFLSA-N 327.811 4.756 0 50 EJAA Fc1cccc(-c2ccc(Nc3ccc4cncnc4c3)nc2)c1F 2356169646 FYHXGZOJBNJKAU-UHFFFAOYSA-N 334.329 4.714 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1C 302951 DEPSJIOTMSGWAV-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA Cc1cc(C)n(-c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)n1 353687 MJTSPZLAUQCXMB-UHFFFAOYSA-N 341.418 4.690 0 50 EJAA CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 358951 QRLGHZSGEFGOBX-GFCCVEGCSA-N 338.234 4.814 0 50 EJAA Cc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1 477185 RYFWAHWGBAEBBN-HNNXBMFYSA-N 347.462 4.770 0 50 EJAA O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 1166947 DTSMIRTVYKJLJX-ZSOIEALJSA-N 333.771 4.720 0 50 EJAA CCCCN(CCCC)C(=O)[C@H](C)Oc1ccc(Cl)cc1C 2766902 WITUGDIJANTURX-HNNXBMFYSA-N 325.880 4.845 0 50 EJAA COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(Cl)s1 13745109 OJIDGMUTEYITAZ-MRVPVSSYSA-N 345.251 4.946 0 50 EJAA COc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(OC)cc3)S2)cc1 15745874 ICRGSDQNZOTTTN-KDURUIRLSA-N 328.433 4.582 0 50 EJAA CCOc1cc(CNCCc2ccccc2)ccc1OC1CCCC1 20500586 WNCMYSQMCLZEIJ-UHFFFAOYSA-N 339.479 4.739 0 50 EJAA COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1C 25539479 NWQJEENVBXHYJH-CSKARUKUSA-N 335.325 4.674 0 50 EJAA COCCN(Cc1ccc(C)cc1)Cc1ccc([C@@H]2CCCO2)s1 55166505 IWJMUOXEGGSOQO-IBGZPJMESA-N 345.508 4.557 0 50 EJAA CC(C)(C)[C@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 136066038 NUFMXUVBRHSLPS-DLBZAZTESA-N 330.497 4.872 0 50 EJAA C[C@@H](C(=O)Nc1cccc2ccccc12)N1CC[C@@H](c2ccccc2)C1 229789375 RPHWWOWWZLDZEY-FXAWDEMLSA-N 344.458 4.656 0 50 EJAA COc1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)c(OC)c1 2356168882 GIVIZRJEGVGIHB-UHFFFAOYSA-N 342.345 4.788 0 50 EJAA O=C(NCc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 81194 HXRFGNJVSZFYPH-UHFFFAOYSA-N 349.817 4.894 0 50 EJAA CC(C)c1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 249681 PNNBODZDMMNCQU-UHFFFAOYSA-N 339.420 4.706 0 50 EJAA CC1CCN(c2cc(Cl)c(C(=O)c3ccccc3)cc2F)CC1 460281 XQMXIVWOQIJRFG-UHFFFAOYSA-N 331.818 4.946 0 50 EJAA O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 619168 XBPVHSMJERLDDE-UHFFFAOYSA-N 328.721 4.681 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3c(F)cccc3F)ccc12 2857361 IINITYUIFCQTPT-UHFFFAOYSA-N 344.357 4.993 0 50 EJAA CCc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 4841212 PEVXMSJNFVQMDM-UHFFFAOYSA-N 343.386 4.705 0 50 EJAA CCCc1cc(-c2nnc(S)n2-c2cc(C)cc(C)c2)cs1 6569882 NYUBEUDCPSQLRT-UHFFFAOYSA-N 329.494 4.854 0 50 EJAA O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCCCC1 6730293 NRZAZMUSRBGLBM-UHFFFAOYSA-N 329.827 4.545 0 50 EJAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)o1 12308405 UGZQFTUOWSHBHX-GOSISDBHSA-N 337.423 4.674 0 50 EJAA Brc1ccccc1OCCCCn1cnc2ccccc21 13153088 QCHPJBPMZWYTRW-UHFFFAOYSA-N 345.240 4.658 0 50 EJAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1 110874 TXBIKVOIVWTLSX-OXJNMPFZSA-N 343.430 4.674 0 50 EJAA COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(F)cc1)N2 285448 DSAQHSCMMOOKBN-MOPGFXCFSA-N 343.398 4.632 0 50 EJAA CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 450514 YLDDXZOYNABDOD-OAQYLSRUSA-N 344.414 4.856 0 50 EJAA CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1O 458764 UMWWRGOCFBZBMK-UHFFFAOYSA-N 348.324 4.736 0 50 EJAA O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1F 571828 QJQQVCKNCHDGNQ-UHFFFAOYSA-N 341.194 4.995 0 50 EJAA CCCOc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 2112351 VVJCCOLPJJHZMU-UHFFFAOYSA-N 340.448 4.954 0 50 EJAA Fc1ccccc1OCCCCN1CCC(Cc2ccccc2)CC1 2880866 BVSKUPKJTXRQGJ-UHFFFAOYSA-N 341.470 4.939 0 50 EJAA c1ccc(COc2ccc(OCCCCN3CCCC3)cc2)cc1 3003555 PXOSRXIRTZFHEM-UHFFFAOYSA-N 325.452 4.520 0 50 EJAA Nc1nc2c(o1)oc1nc(-c3ccccc3)cc(-c3ccccc3)c12 6704078 DMAJUPWPAVHZQJ-UHFFFAOYSA-N 327.343 4.885 0 50 EJAA Cc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)cc1C 16605256 YFVQMJZGJXPCFO-UHFFFAOYSA-N 326.421 4.889 0 50 EJAA CCCCOc1ccc(CNc2ccc(C(=O)O)cc2)cc1Cl 43190968 LITOAKWGGREANS-UHFFFAOYSA-N 333.815 4.829 0 50 EJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1F)N2 239433622 YEKIJPBPCQBBIK-CQTZQYROSA-N 337.394 4.820 0 50 EJAA CC(C)Cc1ccccc1C(=O)N1CCC[C@H](CC(F)(F)F)C1 857541401 BXEKQRUHKOBXFY-CQSZACIVSA-N 327.390 4.690 0 50 EJAA Cc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cnc1C 1875328759 LLSNADDRHAZQGC-UHFFFAOYSA-N 330.431 4.643 0 50 EJAA O=C(/C=C/c1cncs1)OCc1ccc(-c2ccsc2)cc1 2325749004 QHUQMWWUFDBNCR-AATRIKPKSA-N 327.430 4.628 0 50 EJAA CC(=O)O[C@H](c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 72 FSGNOVKGEXRRHD-SECBINFHSA-N 336.429 4.968 0 50 EJAA CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 317410 PDEYHKDLHVLGMQ-UHFFFAOYSA-N 338.451 4.716 0 50 EJAA Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)n1 376552 TVOSCJYJWBCJKN-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA O=C(Nc1ccccc1)Nc1nc2ccc(Br)cc2s1 441642 ODEVADLDRBGYGW-UHFFFAOYSA-N 348.225 4.703 0 50 EJAA CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1ccc(Cl)cc1 13329019 SUZOCIQHHVSJSP-OAHLLOKOSA-N 332.831 4.930 0 50 EJAA CSCCc1c(-c2ccccc2)ncn1[C@@H](C)c1csc(C)n1 65373140 ANPMBJVQVHMJTM-ZDUSSCGKSA-N 343.521 4.830 0 50 EJAA Cc1ccc(C2(c3noc(COc4ccc(C)nc4)n3)CCCC2)cc1 72154828 VAKUZHUCDPUMLW-UHFFFAOYSA-N 349.434 4.521 0 50 EJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3coc4ccccc34)[nH]c2c1 77564231 KTZZBRNMQKQKRA-SFHVURJKSA-N 345.402 4.595 0 50 EJAA O=C(Nc1c(-c2ccco2)nc2ccccn12)c1sccc1Cl 253419644 WOELBMJTLWJYCC-UHFFFAOYSA-N 343.795 4.562 0 50 EJAA COc1ccc([C@@H](C)N(C)Cc2cnc(C3CCCCC3)nc2)cc1 952987590 OQTCVUBKOGRBDV-MRXNPFEDSA-N 339.483 4.726 0 50 EJAA O=C(N[C@@H]1CCC[C@@H](C(=O)O)CC1)c1csc(C2CCCCC2)c1 1875324141 JEAIWAJFNOGRQP-GDBMZVCRSA-N 349.496 4.559 0 50 EJAA Cc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 175998 IKLLVFQOYBATTC-UHFFFAOYSA-N 344.370 4.761 0 50 EJAA biogenic O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 453704 UMSDKYCINBQVCK-WAYWQWQTSA-N 336.174 4.531 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCC1 1060230 UWCUFVSXBCCRRS-UHFFFAOYSA-N 349.261 4.775 0 50 EJAA O=C(CCSc1nc(-c2ccccc2)cs1)Nc1ccccc1 1079658 CEUCWRLXEULDDD-UHFFFAOYSA-N 340.473 4.931 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2cccc3ccccc23)c(C)c1 2172919 BHYFWNWVIRKSLU-UHFFFAOYSA-N 326.417 4.533 0 50 EJAA CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 2761705 FDYNLSBUNGCUJI-CQSZACIVSA-N 345.826 4.565 0 50 EJAA CCCCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 2812842 VRDHBRVIYKLQMB-XFFZJAGNSA-N 346.235 4.535 0 50 EJAA COc1ccc(NC(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)cc1 4890720 QJFZYKBVFUUYJL-UHFFFAOYSA-N 342.483 4.956 0 50 EJAA COc1cccc(-c2noc(CSc3ccc(Cl)cc3)n2)c1 15377095 ZUEXKXAJMISCFQ-UHFFFAOYSA-N 332.812 4.691 0 50 EJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCC(F)(F)CC1 72456749 OAXJQDZQLVHFFT-UHFFFAOYSA-N 326.774 4.535 0 50 EJAA CCC[C@@H](O)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95726709 ZEPXGQZTNGWWTF-CQSZACIVSA-N 327.468 4.667 0 50 EJAA in-vitro O=C(NC(=S)Nc1ccccc1Cl)c1cccc2ccccc12 452841 QIXLSGUGJVVJSL-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 471773 KMIMLNGZKXNRRL-UHFFFAOYSA-N 327.733 4.848 0 50 EJAA COc1ccc([C@H]2N(Nc3ccccc3)C(=O)C23CCCCC3)cc1 609427 ITDPUQRNPJEOHG-LJQANCHMSA-N 336.435 4.556 0 50 EJAA COc1ccc(-c2csc(Nc3ccccc3F)n2)cc1OC 2861991 DPEGRJFIZAUYIC-UHFFFAOYSA-N 330.384 4.710 0 50 EJAA CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C 3824281 PGTVWKLGGCQMBR-FLBATMFCSA-N 332.528 4.985 0 50 EJAA biogenic,investigational Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]1c1nccs1 12303910 QAIOYSVAMAGJPX-CQSZACIVSA-N 331.466 4.505 0 50 EJAA C/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 12342829 HYTXLDGELUKQOT-SAPNQHFASA-N 326.871 4.566 0 50 EJAA COc1ccc(CSc2ccc(Br)cc2F)cc1 38536978 XDHSLAPCAYVIAB-UHFFFAOYSA-N 327.218 4.889 0 50 EJAA in-vitro C[C@H](CCC(C)(C)C(=O)OC[C@H]1CO1)c1c(Cl)cccc1Cl 43681899 VALBCASDXQVOLS-VXGBXAGGSA-N 345.266 4.845 0 50 EJAA Oc1cc(CC[C@@H]2CCCCN2)cc(-c2cccc3cccnc23)c1 72150961 XHCDZLPSBKKWAG-IBGZPJMESA-N 332.447 4.682 0 50 EJAA FC1(F)CCCN(c2ccc(C(F)(F)F)cc2Br)C1 169725672 OACRXCBISHLFAM-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA COc1cccc(-c2cccc(C(=O)N(C)[C@@H](C)c3cccnc3)c2)c1 215009094 NVPFNIWYSBPKRS-INIZCTEOSA-N 346.430 4.590 0 50 EJAA Cc1nsc(Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)n1 225462074 PRCYXVXWLBDWQK-UHFFFAOYSA-N 342.371 4.732 0 50 EJAA CC(C)Cc1noc(-c2cn(-c3ccccc3)nc2-c2ccccc2)n1 904413144 JENMTGYFXKDRMU-UHFFFAOYSA-N 344.418 4.788 0 50 EJAA Cc1ccccc1Oc1ccccc1CNc1ncnc2ncccc12 1776004936 SFRSZQAYNLHKAA-UHFFFAOYSA-N 342.402 4.738 0 50 EJAA Cc1nc(N[C@@H](C)c2cc3ccccc3o2)c2cnn(C(C)(C)C)c2n1 1875264464 BFHUDZPTYHTYLF-LBPRGKRZSA-N 349.438 4.809 0 50 EJAA C[C@H](OC(=O)c1ccc(OC2CCC2)cc1Cl)c1ccncc1 2325707220 FHMNLWFMBJTPIE-LBPRGKRZSA-N 331.799 4.584 0 50 EJAA Cc1cccn2c(NC(=O)c3ccccc3)c(-c3ccccc3)nc12 323786 UXMCUUNPUKHCBY-UHFFFAOYSA-N 327.387 4.562 0 50 EJAA COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 514332 VJDVWBKSCFPIJI-INIZCTEOSA-N 347.414 4.768 0 50 EJAA O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccccc2)C1 1016480 MMINBKMQQKYAAE-QFIPXVFZSA-N 341.454 4.835 0 50 EJAA c1ccc(COc2cccc(CNc3ccc4c(c3)OCO4)c2)cc1 16663131 CBFQLJKAOMTNKO-UHFFFAOYSA-N 333.387 4.606 0 50 EJAA CCOC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 97757573 ZBBQVILRTYDNML-UHFFFAOYSA-N 338.407 4.978 0 50 EJAA Clc1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c(Cl)c1 100702274 UHRPEROKXVXBOA-INIZCTEOSA-N 343.217 4.641 0 50 EJAA Cc1ccc(-c2ccncc2)cc1NC(=O)c1c(F)ccc(F)c1F 121055272 BOKKDEUWIDHXDS-UHFFFAOYSA-N 342.320 4.727 0 50 EJAA Cc1nc([C@H]2CCCN2C(=O)Nc2cc(F)cc(Cl)c2)cs1 189158913 PRNLUISMMJTNCH-CQSZACIVSA-N 339.823 4.613 0 50 EJAA Cc1ccn(-c2cccc(N[C@@H]3CCC[C@@H](c4cccnc4)C3)c2)n1 2325700449 SNYSZLRMDFUVBR-IEBWSBKVSA-N 332.451 4.714 0 50 EJAA CC(C)Oc1ccccc1NC(=O)COc1ccc2ccccc2c1 471676 RPLNVPBHPCCHPQ-UHFFFAOYSA-N 335.403 4.645 0 50 EJAA O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1 555896 GYGHXQCTMUNVPS-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA CCCN(CCC)C[C@@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 3068317 YTAMEPAICSZHEE-FCHUYYIVSA-N 341.495 4.634 0 50 EJAA COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 5041792 JBYPEONESZEDAJ-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 9230937 CSZPNHYGCGZQGM-UHFFFAOYSA-N 337.206 4.594 0 50 EJAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 14257199 KGBLBTGSXJQABE-CYBMUJFWSA-N 335.494 4.723 0 50 EJAA Cc1c(-c2ccccc2)nc2c(c(C)c(C)n2-c2cccnc2)c1N 20714181 PEQPXFSFQVDKHB-UHFFFAOYSA-N 328.419 4.595 0 50 EJAA CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)[C@@H](O)CO 22013145 CGIHFIDULQUVJG-LWYYNNOASA-N 330.553 4.530 0 50 EJAA biogenic,in-vitro Cc1ccccc1-c1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 39400594 ZSGQDDJDISZTLL-HXUWFJFHSA-N 331.463 4.765 0 50 EJAA Cc1ccc([C@H](C)Nc2cc(-c3ccccc3)nc3cc(C)nn23)nc1 72427903 VJEILLWMHLEPNV-INIZCTEOSA-N 343.434 4.581 0 50 EJAA FC(F)(F)c1cc(Br)c(Cl)c(Br)c1 141178588 CEMBOFGQZNNCJU-UHFFFAOYSA-N 338.348 4.884 0 50 EJAA CC[C@@H](O)c1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1 299774093 AEAQFLYHHWFBAG-OAQYLSRUSA-N 337.463 4.813 0 50 EJAA Cc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 487628872 ZLGFJZHOVRCUBA-UHFFFAOYSA-N 344.386 4.573 0 50 EJAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1ccc([C@H]2CCCCO2)o1 1506428606 XVLXJCYZHRZSRF-LJQANCHMSA-N 342.414 4.774 0 50 EJAA COc1cc(C)c(C)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 1776005059 ZCUSKAICYMKMCX-UHFFFAOYSA-N 348.464 4.512 0 50 EJAA O=C(Nc1ccccc1OC1CCCCC1)c1ccc2nccnc2c1 1875336990 MSPRSMCTGWCHEK-UHFFFAOYSA-N 347.418 4.594 0 50 EJAA Cc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 46584 KYNZUSNCMHXBOP-UHFFFAOYSA-N 334.415 4.868 0 50 EJAA C[C@@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 88002 OUFIYTUFYOPUJU-HRAATJIYSA-N 328.415 4.889 0 50 EJAA C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1 301583 VNQBCWPHGDHBBP-OAHLLOKOSA-N 326.403 4.865 0 50 EJAA c1ccc(-c2n[nH]c(-c3cccnc3)c2-c2nc3ccccc3[nH]2)cc1 312310 FZECCCCODNTJJK-UHFFFAOYSA-N 337.386 4.682 0 50 EJAA CCc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 425661 BRLVXNMNNISYHI-UHFFFAOYSA-N 326.783 4.810 0 50 EJAA Cc1ccc2nc(C)c3c(c2c1)O[C@@H]([C@](C)(Cl)Br)C3 436075 XAIFIFDYGKGPIJ-HIFRSBDPSA-N 340.648 4.505 0 50 EJAA COc1ccc([C@H](NC(=S)Nc2ccccc2)c2ccccc2)cc1 450464 XSRLWYZJWWXFDG-HXUWFJFHSA-N 348.471 4.771 0 50 EJAA O=C(NC1CCCC1)c1ccc(COc2cccc3ccccc23)o1 484250 HMWMPBOYLDLQHO-UHFFFAOYSA-N 335.403 4.684 0 50 EJAA CC[C@@H](C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 505820 AFLSQYIEDHCLIE-QRTQRDKQSA-N 341.495 4.520 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1cccc(F)c1 2893384 ODZIOMNCTIODKU-UHFFFAOYSA-N 344.169 4.760 0 50 EJAA CC1CCN(C(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)CC1 4743197 SJCYMOJQWOUART-UHFFFAOYSA-N 342.053 4.567 0 50 EJAA C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O 5211276 OOLBCHYXZDXLDS-VIFPVBQESA-N 327.163 4.638 0 50 EJAA in-vitro O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 5671220 IBEFCIYOSYCESW-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 8496783 KBQYUFUBWOCWOE-INIZCTEOSA-N 347.414 4.768 0 50 EJAA CCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12242265 MPSQCFQLNOTMJI-KRWDZBQOSA-N 347.462 4.736 0 50 EJAA CC1(C)C[C@](CCNCc2ccccc2)(Cc2ccccc2)CCO1 12384393 UEWIGVOOLPSOOV-QHCPKHFHSA-N 337.507 4.984 0 50 EJAA COCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 13774645 YIIXNFPPVSHCNJ-ZZEZOPTASA-N 344.867 4.749 0 50 EJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1 17987933 VTQKRHRXTIMFKW-BEVDRBHNSA-N 349.430 4.713 0 50 EJAA CCOc1ccccc1O[C@H]1CCCC[C@@H]1NCc1ccccc1 44124736 VSQPBOQZBTWANL-OALUTQOASA-N 325.452 4.565 0 50 EJAA COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccnc(C)c2)cc1 119561367 AKVKTVYEFKIRFH-IBGZPJMESA-N 339.439 4.548 0 50 EJAA Cc1nc(-c2cccc(NC(=O)c3ccc4ncccc4c3)c2)oc1C 122811083 KOXDUZMOYBBSIA-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA O=C(Nc1ccc(CCC(F)(F)F)cc1)c1coc(C2CCC2)n1 194638561 FWXDJNLHNUCHKM-UHFFFAOYSA-N 338.329 4.689 0 50 EJAA Clc1ccccc1C[n+]1cn(Cc2ccccc2)c2ccccc21 252494303 NRLUINYYTDDTTH-UHFFFAOYSA-N 333.842 4.679 0 50 EJAA CCOc1ccccc1[C@@H](CC)NC[C@H](O)c1cccc(Cl)c1 775087834 RROIKMYBNIGNAX-MSOLQXFVSA-N 333.859 4.513 0 50 EJAA CC1(C)CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccccc21 1287516767 DVOLYMWMEFRSOX-UHFFFAOYSA-N 337.316 4.783 0 50 EJAA Cc1cc(C(F)(F)F)ncc1CN[C@H](C)c1cc2ccccc2[nH]1 2325812534 JZDLWBRVZHWMIU-GFCCVEGCSA-N 333.357 4.741 0 50 EJAA Cc1ccc(NC(=O)c2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1 244333 JNNGNZVFIQUPHY-UHFFFAOYSA-N 338.451 4.506 0 50 EJAA O=C(NCc1cccs1)[C@@H](Sc1ccccc1)c1ccccc1 476565 VALZOLWZLFOEOA-SFHVURJKSA-N 339.485 4.898 0 50 EJAA O=C(CCNc1ccc(Cl)cc1)c1ccc(Br)cc1 2519782 XSKRZUKYHPCWEG-UHFFFAOYSA-N 338.632 4.787 0 50 EJAA CCN(Cc1ccncc1)C(=O)c1sc2ccccc2c1Cl 6700280 ZNQFTZSGHLGQFJ-UHFFFAOYSA-N 330.840 4.612 0 50 EJAA c1ccc2cc(-c3cn[nH]c3C3CCN(CC4CC4)CC3)ccc2c1 12242632 QZDZDHKGJMPGCB-UHFFFAOYSA-N 331.463 4.819 0 50 EJAA Cc1cccc(C)c1Oc1ncccc1CNc1ccc(Cl)nn1 67790626 GXIDUTPJJWUUKJ-UHFFFAOYSA-N 340.814 4.546 0 50 EJAA CC(C)(C)c1cnc(CCC(=O)Nc2cnccc2-c2ccccc2)o1 242048178 VTLZNEIWZFZQRE-UHFFFAOYSA-N 349.434 4.605 0 50 EJAA O=C(O)C1CCC(N[C@@H](CC2CCCCC2)c2ccccc2)CC1 263450908 ZNLWXAOFGMBWQC-MHJFOBGBSA-N 329.484 4.931 0 50 EJAA O=C(Nc1cccc2c1CCCC2)N1CCCC[C@@H]1c1cccnc1 299794989 KVBDMTGYQSFECB-HXUWFJFHSA-N 335.451 4.720 0 50 EJAA C[C@]1(C(F)F)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F 1875335738 FNGPFVNXLZIWFY-KNBMTAEXSA-N 347.380 4.517 0 50 EJAA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Cl)c1 77568 FUJCKLAMRHQROC-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA CC(C)Cc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 250107 FSBWSJZCFSYIIG-UHFFFAOYSA-N 337.448 4.656 0 50 EJAA O=C(Nc1nccs1)[C@@H](Sc1ccccc1)c1ccccc1 337689 ZUZOVIWBZLOKNM-HNNXBMFYSA-N 326.446 4.615 0 50 EJAA O=C(O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1 2521415 BDVPMGPZTOMHBM-UHFFFAOYSA-N 331.582 4.924 0 50 EJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc(C)s2)C1 14980557 GWTHKUPYTCJEFB-HNNXBMFYSA-N 345.533 4.873 0 50 EJAA CC[C@]1(C)C[C@H]([C@@H]2CCCN(CCC(=O)c3ccccc3)C2)CCO1 22340222 VRGOUTDKDGPPII-KCZVDYSFSA-N 343.511 4.567 0 50 EJAA FC(F)(F)c1c(Br)ccc(S)c1Br 71792195 XWBZICHYUROXBW-UHFFFAOYSA-N 335.970 4.519 0 50 EJAA O=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21 27613 GMEIPDIZUYTPOX-UHFFFAOYSA-N 333.412 4.895 0 50 EJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 144576 MVRMRGRWKVCNJX-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA Cc1cc(OCc2ccc(F)cc2F)c2c(C)c(C)c(=O)oc2c1 616246 FWLBPLGYZHGCSJ-UHFFFAOYSA-N 330.330 4.575 0 50 EJAA Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)oc2c1 848955 XVHXUZKSYZJJRF-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA CCCCCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1 1807756 GSNKVOLMYKSYKI-UHFFFAOYSA-N 331.437 4.738 0 50 EJAA CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 2761704 FDYNLSBUNGCUJI-AWEZNQCLSA-N 345.826 4.565 0 50 EJAA CC(=O)c1cccc(OCCCCOc2cccc3cccnc23)c1 4842369 SGDORZXQTIZZBS-UHFFFAOYSA-N 335.403 4.675 0 50 EJAA CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCCCC1 12112283 JHMAXMLEHXVPAJ-UHFFFAOYSA-N 339.361 4.520 0 50 EJAA OCC1(CCc2ccccc2)CCN(Cc2ccccc2Cl)CC1 12468734 OZWRNLUDQVRONC-UHFFFAOYSA-N 343.898 4.547 0 50 EJAA Cc1cc(NC(=S)Nc2cccc(F)c2)ccc1Br 13736930 FUVSKULXTXPHFE-UHFFFAOYSA-N 339.233 4.706 0 50 EJAA Cc1ccc(-c2nc(NC(=O)Cc3cccs3)sc2C)cc1 16579954 XHOFJGPCGFXUNE-UHFFFAOYSA-N 328.462 4.670 0 50 EJAA Cc1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1C 38835216 PXXWPGZJOVXYJD-UHFFFAOYSA-N 336.479 4.932 0 50 EJAA CCOc1ccccc1N1CCN(Cc2ccc3ccccc3c2)CC1 55544051 YKKCUSNWHULBCV-UHFFFAOYSA-N 346.474 4.561 0 50 EJAA Cc1nc([C@H](NCc2cccc3ccccc23)c2ccccc2F)no1 193152623 QHHZRZVLRMUJBO-HXUWFJFHSA-N 347.393 4.550 0 50 EJAA Fc1ccc([C@H](NCc2ncc(C3CC3)o2)C(F)(F)F)cc1Cl 277802297 OPRPQCFPIALDQA-AWEZNQCLSA-N 348.727 4.738 0 50 EJAA COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1cccs1)N2 35078 RXFUIFJLKCASDT-IRXDYDNUSA-N 331.437 4.554 0 50 EJAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1ccccc1 71927 HOOSFQYZMVTXAO-UHFFFAOYSA-N 334.419 4.640 0 50 EJAA CC1(C)CC2(CC(C)(C)c3ccc(O)cc3O2)Oc2cc(O)ccc21 420120 BWQOXWHQZXVXSD-UHFFFAOYSA-N 340.419 4.615 0 50 EJAA in-vitro CC(C)c1ccc(OCc2cccc(C(=O)NC(C)(C)C)c2)cc1 467380 OJTWTPZNKXBHJA-UHFFFAOYSA-N 325.452 4.917 0 50 EJAA S=C(NCCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 543338 FTUGVGZFGRNLFM-UHFFFAOYSA-N 347.487 4.959 0 50 EJAA CCc1cccc(CC)c1NC(=O)CCCOc1ccc(OC)cc1 1778188 OQANQJUYVNYIEU-UHFFFAOYSA-N 341.451 4.618 0 50 EJAA CC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1 17066832 IQBWAQFDNYMEAA-AWEZNQCLSA-N 326.465 4.554 0 50 EJAA O=C(c1cccs1)N(Cc1ccccc1Cl)c1ccccn1 28290848 WXOJAXRHQLQCGO-UHFFFAOYSA-N 328.824 4.644 0 50 EJAA O=C(c1ccc(F)cc1)N(Cc1ccccc1Cl)c1ccccn1 28292985 RJZAZPWLCTVYEV-UHFFFAOYSA-N 340.785 4.721 0 50 EJAA Cc1ccc2cccc(NCc3cccc(Br)c3)c2n1 109960422 OLWDJEDTYCTBQR-UHFFFAOYSA-N 327.225 4.918 0 50 EJAA c1ccc(CNc2nc(Nc3ccccc3)nc3ccccc23)cc1 314954 TZQBMINEPXWUBX-UHFFFAOYSA-N 326.403 4.986 0 50 EJAA Cc1ccccc1OCC(=O)Oc1ccc(OCc2ccccc2)cc1 317904 WVOBOKAYKMXTIZ-UHFFFAOYSA-N 348.398 4.558 0 50 EJAA CC(C)(C)C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 4841354 DJYHYWVHRUKTSX-UHFFFAOYSA-N 329.787 4.528 0 50 EJAA O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1 4865872 IKQFQWOSOKRABF-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA CC(C)(C)c1ccc(OC[C@@H](O)CSCc2ccccc2)cc1 12381728 ZTGGOYZMZRRLPM-GOSISDBHSA-N 330.493 4.657 0 50 EJAA Cc1cc(C(C)(C)C)cc(C)c1CSc1nc(=O)ccn1C1CC1 170621741 WPGOKFDENVAPRS-UHFFFAOYSA-N 342.508 4.785 0 50 EJAA Cc1cccn2cc(-c3ccc(N[C@@H](C)c4ccncc4)cc3)nc12 182876557 QUYKUKQIGPQGDY-INIZCTEOSA-N 328.419 4.878 0 50 EJAA CC1=C(O)[C@@H]2C=CC=C[C@@H]2[C@](O)(c2ccccc2)[C@H]1c1ccccc1 253590518 ZCHJZBGEFBTBLF-ADYITMSISA-N 330.427 4.862 0 50 EJAA CC[C@H](NC(=O)N1C[C@@H](C(C)C)c2ccccc21)c1c(C)noc1C 331653346 MLEDYHSLAFMXHL-IRXDYDNUSA-N 341.455 4.712 0 50 EJAA C[C@H]1C[C@H](Nc2ccc(-c3cccnc3)c3cccnc23)C[C@@H](C)O1 2325788807 HXJFVLQCGHHZSS-SCAQPMJSSA-N 333.435 4.665 0 50 EJAA Cc1cc(OCC(=O)Oc2ccc(Cl)c(C)c2)ccc1Cl 80475 ZVRIALXQXCSUBH-UHFFFAOYSA-N 325.191 4.595 0 50 EJAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCO1 234527 MWUQJNWOZSVCLP-REWPJTCUSA-N 349.474 4.687 0 50 EJAA S=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1 319331 VTCNJCNBGBYKIK-UHFFFAOYSA-N 332.472 4.805 0 50 EJAA biogenic COc1ccc(CCCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 453997 KTTBQKTZCXVQND-UHFFFAOYSA-N 331.843 4.927 0 50 EJAA Cc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1 1453765 RDWVAWGIWUTCSH-IRLDBZIGSA-N 341.414 4.632 0 50 EJAA O=C(Nc1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 2172961 FUFSPPBVGAWMKZ-UHFFFAOYSA-N 330.693 4.708 0 50 EJAA O=C(NCCc1ccc(F)cc1)c1sc2ccccc2c1Cl 2826941 AWUFDUFVQZQUIX-UHFFFAOYSA-N 333.815 4.666 0 50 EJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 9141895 PCHJIBWNLSGKTH-UHFFFAOYSA-N 336.391 4.670 0 50 EJAA O=C(COc1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F 13325783 IMJFBFQFJLKMDQ-UHFFFAOYSA-N 347.695 4.515 0 50 EJAA COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1ccco1)C2 14994449 DDYGHFUDKSRWGB-UHFFFAOYSA-N 349.430 4.658 0 50 EJAA COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 19893716 LLWSLPLDHNDQAO-WIYYLYMNSA-N 346.386 4.531 0 50 EJAA Fc1ccc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)cc1 72150914 HLWWUNOKXBGKCT-UHFFFAOYSA-N 338.773 4.722 0 50 EJAA Cc1cnc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)s1 225464013 JXHROPUFXBHCBI-UHFFFAOYSA-N 342.489 4.686 0 50 EJAA Cc1cc([C@H](C)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)no1 242178829 XBEFWICBYROOJF-UPJWGTAASA-N 326.362 4.845 0 50 EJAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 244723565 MDUNPKZOBHMOBW-DXBBTUNJSA-N 342.571 4.708 0 50 EJAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](C2CC2)C1 685856093 CJXSCLDYQQGOMD-CQSZACIVSA-N 329.827 4.862 0 50 EJAA Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(-c4ccco4)o3)c2)n1 1875261831 ZYBJZGQMDLQJQM-UHFFFAOYSA-N 347.374 4.594 0 50 EJAA Cc1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1 471706 XFXCWYMWJATWBT-UHFFFAOYSA-N 325.795 4.819 0 50 EJAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 2962712 ULNWUIBAHCOJEO-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA CCCN(CCC)C[C@@H](c1ccccc1)[C@@H](O)c1ccc(OC)cc1 3068319 YTAMEPAICSZHEE-VXKWHMMOSA-N 341.495 4.634 0 50 EJAA O=C(Oc1cccnc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 3877594 PNGDDJOLTVNYRA-UHFFFAOYSA-N 333.431 4.870 0 50 EJAA biogenic Clc1ccccc1COc1cccc(CNCc2cccnc2)c1 4168201 DKLFBHXUTPRJMN-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)on1 91737052 YUGISTDQCYCMDB-SFHVURJKSA-N 344.430 4.770 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 244909751 ATOKCVQCCLMGBV-YRASXDPISA-N 349.908 4.742 0 50 EJAA Clc1cccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 253489406 FDDGVKWNNYKGKF-PMACEKPBSA-N 332.919 4.569 0 50 EJAA COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 294606 ZZJKXUXCVSBTAS-UHFFFAOYSA-N 333.387 4.527 0 50 EJAA COC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 445588 DDSVHXSXTMOGGJ-UHFFFAOYSA-N 347.370 4.518 0 50 EJAA O=C(Nc1cccnc1)c1cccc(COc2ccccc2Cl)c1 467247 MRYSLDZWVPNPQA-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA Cc1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc2c(c1)OCO2 4512275 KCUMDOBAIIFHQY-QIIPPGSGSA-N 328.433 4.931 0 50 EJAA Cc1c(C(=O)Oc2ccccc2Br)oc2ccccc12 4820516 SGHMZBUNIJPVRS-UHFFFAOYSA-N 331.165 4.723 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C)cc(C)c1 33087344 STNOALZPVXNJDT-INIZCTEOSA-N 327.428 4.531 0 50 EJAA O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 71767025 YIQRIFVBNHMJCA-UHFFFAOYSA-N 341.836 4.956 0 50 EJAA COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 197175231 CNVSMRIFPOSVDX-PERASSARSA-N 349.430 4.690 0 50 EJAA COc1cc(CNc2ccc3ccn(C)c3c2)c(SC)cc1OC 225502890 MYODQQVINBXMES-UHFFFAOYSA-N 342.464 4.530 0 50 EJAA C[C@@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc(F)cc(F)c1 225555895 ZXSVJCXXEVBMIH-SMHULIPUSA-N 347.405 4.820 0 50 EJAA CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253611357 XXSFRYVGIQYVIQ-HLLGIEBOSA-N 330.512 4.761 0 50 EJAA Cc1ccccc1-c1cccc(NC(=O)N(C)C[C@H]2CCCCO2)c1 299783715 XLHPHFGVYCHRMR-LJQANCHMSA-N 338.451 4.695 0 50 EJAA O=C(NC1CCC2(CCCCC2)CC1)c1cccc2cc(O)ncc12 1269236486 BXUMOTVNNHYEMZ-UHFFFAOYSA-N 338.451 4.563 0 50 EJAA CCN(C[C@@H]1CCCCO1)c1ccnc2c(C(F)(F)F)cccc12 1529178876 SJWUCQGZZOGIEL-ZDUSSCGKSA-N 338.373 4.649 0 50 EJAA COc1ccccc1NC(=O)CSc1ccc(Cl)cc1Cl 141822 ZBDWIQSKWMEGRI-UHFFFAOYSA-N 342.247 4.733 0 50 EJAA COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(C)=O 190825 UMFPJMYDTUQYTP-UHFFFAOYSA-N 337.491 4.816 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C 613928 SLUWDFKDPTUTBI-UHFFFAOYSA-N 345.870 4.855 0 50 EJAA C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)OC21CCCCC1 1431820 IKGDXTBFOPJQBM-GOSISDBHSA-N 344.842 4.748 0 50 EJAA Cc1cc(NP(=O)(Oc2ccccc2)Oc2ccccc2)no1 4837256 HRHFNQVCBILIJZ-UHFFFAOYSA-N 330.280 4.661 0 50 EJAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2sc(C(C)C)nc2C)C1 77517175 ZZRWJIIUVYYCBG-MRXNPFEDSA-N 342.508 4.903 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2Br)C1 238083344 ITRBRONTRUBWCP-GFCCVEGCSA-N 340.261 4.564 0 50 EJAA c1cn(CC[C@@H]2CCCOC2)c(-c2ccc(OC3CCCC3)cc2)n1 1857696581 HYMJLBQVIYVHQZ-KRWDZBQOSA-N 340.467 4.688 0 50 EJAA C[C@@H]1CCc2c(sc3nc(-c4ccccc4Cl)oc(=O)c23)C1 453367 FVTOJLCKLLWKLY-SECBINFHSA-N 331.824 4.695 0 50 EJAA CN(C1CCCCC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 473576 AKGBJKRZMCUKPC-UHFFFAOYSA-N 335.513 4.688 0 50 EJAA CCCc1cc(=O)oc2cc(C)cc(OCc3ccc(F)cc3F)c12 608573 ZBFUTYGQBHRUQW-UHFFFAOYSA-N 344.357 4.911 0 50 EJAA CC[C@@]1(C)C[C@@](CCNCc2ccco2)(c2ccccc2)CCO1 1809907 APRDXPRFHJTFDV-SFTDATJTSA-N 327.468 4.676 0 50 EJAA biogenic CC1(C)C[C@@](CCNCc2ccccc2F)(c2ccccc2)CCO1 1831181 HFBMKKUCRLRSDJ-QFIPXVFZSA-N 341.470 4.832 0 50 EJAA CC(C)C[C@@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CC(C)C 2521509 UAFXUVUVOTXFND-HZPDHXFCSA-N 334.456 4.869 0 50 EJAA in-vitro Cc1cccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)c1 2834202 GDXMJLNGSNKLLE-UHFFFAOYSA-N 335.190 4.931 0 50 EJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cl)cc1 2862957 ZWGCMXFYSDSWFI-AWEZNQCLSA-N 345.870 4.721 0 50 EJAA COc1cccc(OCCCOc2cccc(Cl)c2Cl)c1 2904349 GZMXBOGJYGSOLB-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 64985121 LDMQFTOMMYKCDS-OAHLLOKOSA-N 333.819 4.820 0 50 EJAA Clc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100701056 VIOLGXYHWSZXFD-INIZCTEOSA-N 343.217 4.641 0 50 EJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1 101709983 VTQKRHRXTIMFKW-YSGRDPCXSA-N 349.430 4.713 0 50 EJAA C1=C[C@@H](Sc2nnc(-c3ccncc3)n2Cc2ccccc2)CCC1 171791864 OKUSREBDKWDNEB-GOSISDBHSA-N 348.475 4.589 0 50 EJAA C[C@H](Nc1ccc(F)cc1OCC(F)F)c1nc2ccccc2o1 182072533 MXCQJCHWBYRQBG-JTQLQIEISA-N 336.313 4.784 0 50 EJAA Fc1ccc(-c2cc3ncnc(SCc4ccn[nH]4)c3s2)cc1 253425541 DSTNSWSAWHZMBG-UHFFFAOYSA-N 342.424 4.513 0 50 EJAA Cc1ccc([C@@H](C)n2ccnc2-c2ccc(CC(F)(F)F)cc2)cn1 1857689176 HXXAHFXURRAEHC-CQSZACIVSA-N 345.368 4.968 0 50 EJAA O[C@H](COC[C@@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21 36214 JCAQBGZQFFLPRA-MSOLQXFVSA-N 335.447 4.528 0 50 EJAA Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1C 62785 LYDYUUHKFAOGEE-UHFFFAOYSA-N 328.462 4.644 0 50 EJAA CCCc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)cc1 148523 DLOWDKWNIWPRCH-UHFFFAOYSA-N 339.218 4.930 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 434639 ZYYCOESSKDMMML-UHFFFAOYSA-N 333.815 4.698 0 50 EJAA CCOc1cc(C=O)c(Cl)cc1OCc1ccccc1Cl 463052 KXMHTMWDPTVETD-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA Clc1ccc(OCc2nc(-c3cccs3)no2)cc1Cl 1421824 RQWHUWTUEQERTL-UHFFFAOYSA-N 327.192 4.684 0 50 EJAA COc1ccc(CC[C@H](C)NCc2cccc(Br)c2)cc1 6667596 CDYLBYNFLUAGRB-AWEZNQCLSA-N 348.284 4.569 0 50 EJAA CC(C)C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 12120234 SJYDIOMNSCHAHO-KRWDZBQOSA-N 330.403 4.580 0 50 EJAA Cc1cnc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)[nH]1 15961651 ASVPDLZRWLGUQV-QFIPXVFZSA-N 348.494 4.879 0 50 EJAA COC[C@H]1CCC[C@H]1n1ccnc1-c1c(OC)ccc2ccccc12 72158015 MWGRZJCRWRBAFY-SJLPKXTDSA-N 336.435 4.700 0 50 EJAA CC[C@@H](c1cccnc1)N(C)C(=O)CCCc1ccc(Cl)cc1 77343837 MIMJKDZPRUGRHZ-SFHVURJKSA-N 330.859 4.667 0 50 EJAA C[C@@H](c1ccon1)N(C)C(=O)Nc1ccc(C2CCCCC2)cc1 96166970 BOCJEOOVZPTOGM-AWEZNQCLSA-N 327.428 4.947 0 50 EJAA CC(C)(C)[C@@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 136066066 NUFMXUVBRHSLPS-IRXDYDNUSA-N 330.497 4.872 0 50 EJAA Cn1ccc2cc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)ccc21 263588385 SSFIMFRAQHYXAB-IBGZPJMESA-N 349.459 4.660 0 50 EJAA CCCCC[C@@H](O)c1nc(CCC)nn1-c1ccc(F)c(Cl)c1 1875347625 AEUZJOYXSRINKM-OAHLLOKOSA-N 339.842 4.626 0 50 EJAA Cc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 62603 NVSUEFIODIBPLZ-UHFFFAOYSA-N 348.512 4.799 0 50 EJAA COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1OC 122639 RFHOXTWWHVRIKG-UHFFFAOYSA-N 349.430 4.818 0 50 EJAA CCOc1ccc(OCC)c(NC(=O)Nc2ccccc2Cl)c1 401522 OLMLZAYSLUWYCP-UHFFFAOYSA-N 334.803 4.781 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCCCCC1 2755937 AJFCMCAKEYKSOV-UHFFFAOYSA-N 330.255 4.555 0 50 EJAA CCOC(=O)c1sc(Nc2cc(Cl)cc(Cl)c2)nc1C 4819499 RZGZDQMVTSWSLK-UHFFFAOYSA-N 331.224 4.679 0 50 EJAA C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1Br 13746058 RRKHOTHOPJEHFK-CYBMUJFWSA-N 347.256 4.592 0 50 EJAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1cccs1 21525273 NLKRRKSCVXLZMS-OAHLLOKOSA-N 342.395 4.520 0 50 EJAA CC(=O)c1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)cs1 82100141 UOVCVBJTMIDSCL-HNNXBMFYSA-N 347.505 4.640 0 50 EJAA Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(C)c1 169775598 AMDKHXZMVBNTIJ-UHFFFAOYSA-N 343.390 4.554 0 50 EJAA CCCC(=O)Nc1ccc(C)c(NC(=O)c2csc(C(C)C)n2)c1 822752184 VCAHXPOVCVFDBN-UHFFFAOYSA-N 345.468 4.566 0 50 EJAA CC(C)(C)SCc1nnc2sc(-c3ccc(Cl)cc3)nn12 1772491155 FLWIRAWFCHYBSK-UHFFFAOYSA-N 338.889 4.538 0 50 EJAA O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)OCC(F)F 1875360933 MMTMCEGOCAFWMZ-KRWDZBQOSA-N 331.318 4.514 0 50 EJAA O=c1oc2cc(OCc3ccccc3Cl)ccc2c2c1CCC2 95638 CPTBEYFVKZLCBD-UHFFFAOYSA-N 326.779 4.514 0 50 EJAA CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 281605 MUDZOKOVPFZEDL-LBPRGKRZSA-N 335.856 4.858 0 50 EJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc(Cl)c1 377189 BSHVFUNOZPDOCW-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 618893 ABMMVTDFCZOPKL-UHFFFAOYSA-N 347.480 4.545 0 50 EJAA Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCC2 6861820 XBHQCKQTWWWHRQ-UHFFFAOYSA-N 341.263 4.768 0 50 EJAA c1ccc(N[C@@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)cc1 15065003 OKJPWGLDLRFEJK-LJQANCHMSA-N 349.503 4.887 0 50 EJAA Cc1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 20166847 QABLTKMPCIUMRR-ROUUACIJSA-N 333.516 4.561 0 50 EJAA Cc1cccc(N2CCC(NCC[C@H](C)CCCC(C)(C)O)CC2)c1 32587359 PPNRPQLOIYFVGZ-GOSISDBHSA-N 346.559 4.521 0 50 EJAA Cc1[nH]c2c(C)cccc2c(=O)c1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 136082423 KLCRMNQOYHEXNH-ZHRRBRCNSA-N 338.495 4.546 0 50 EJAA biogenic Cc1ccc([C@H](C)N(C)C(=O)NCc2cc(-c3ccccc3)on2)cc1 171338275 AGALMVGEDNQROF-INIZCTEOSA-N 349.434 4.553 0 50 EJAA COCC1(N(C)C(=O)c2cccc(-c3ccc(C(C)C)cc3)c2)CC1 426662423 ZIABDYKGRSNVHC-UHFFFAOYSA-N 337.463 4.728 0 50 EJAA Cc1ccsc1-c1ccc(C(=O)N2CCOC[C@@H]2CC(C)C)cc1 426707430 MKMMJQSIQHTVOU-SFHVURJKSA-N 343.492 4.611 0 50 EJAA O=C(NC[C@H]1CCCC[C@@H]1c1ccccc1)N1CCC2(CCC2)C1 1686473382 HVVLUCZZVTUUOR-RTBURBONSA-N 326.484 4.546 0 50 EJAA C[C@H](CCc1cncc2ccccc12)Nc1ccc(N2CCCC2)nc1 1875342006 SSPYLKVKDBSLJV-QGZVFWFLSA-N 346.478 4.663 0 50 EJAA Cc1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl 93653 FAZYCSDWDGRHGV-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)CCCC2 312718 UYHLOUBNYWCLFE-UHFFFAOYSA-N 329.827 4.545 0 50 EJAA Cc1nc2ccc(Cl)cc2c(=O)n1-c1c(Cl)cccc1Cl 363989 YYVZRCBMJJNJIX-UHFFFAOYSA-N 339.609 4.654 0 50 EJAA CCOc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1 450832 IXNVSTISOVPYNI-UHFFFAOYSA-N 347.414 4.840 0 50 EJAA COc1cc(Br)ccc1NC(=O)CCC1CCCCC1 564290 MPSKWRKWQBCHMJ-UHFFFAOYSA-N 340.261 4.757 0 50 EJAA O=C(Cc1cccs1)NCCC(c1ccccc1)c1ccccc1 1056132 YKBVXLIRMABQSB-UHFFFAOYSA-N 335.472 4.629 0 50 EJAA Cc1ccc(CSCCNC(=O)/C=C/c2ccccc2Cl)cc1 2903729 ZZGNUFHGRUANHP-ZHACJKMWSA-N 345.895 4.711 0 50 EJAA CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12167241 AORAYQMWUXTWIH-NHYWBVRUSA-N 349.883 4.534 0 50 EJAA Cc1cc(Cl)c2oc(C(=O)N(C)[C@@H](C)c3ccccn3)c(C)c2c1 12307467 HGPROSHOHOPVCH-ZDUSSCGKSA-N 342.826 4.931 0 50 EJAA CC1(C)C[C@@](CCNCc2ccccc2)(Cc2ccccc2)CCO1 12384392 UEWIGVOOLPSOOV-HSZRJFAPSA-N 337.507 4.984 0 50 EJAA C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 13320481 JCNXIDCATIXBOV-VIFPVBQESA-N 343.736 4.637 0 50 EJAA Cc1ccc(C)c([C@H](NC(=O)c2ccccc2C)c2cccnc2)c1 15839814 AOTNHWKIRWJVGG-OAQYLSRUSA-N 330.431 4.526 0 50 EJAA CCc1ccc(-c2cc(C(=O)OC)c3cccc(Cl)c3n2)cc1 17066678 XNIHPAFHDZNJQT-UHFFFAOYSA-N 325.795 4.904 0 50 EJAA Cc1cc([C@@H]2CCCN2Cc2[nH]c3ccc(Cl)cc3c2C)no1 97360050 UZJUFRIKYZQDPY-SFHVURJKSA-N 329.831 4.763 0 50 EJAA O=C(c1ccccc1-c1ccccc1F)N(Cc1cccnc1)C1CC1 223511148 VYSWSYKWUZDTGE-UHFFFAOYSA-N 346.405 4.693 0 50 EJAA CCN(C(=O)OC(C)(C)C)c1ccc(Br)c(Cl)c1 261493407 ALQWHXZBGNWZFV-UHFFFAOYSA-N 334.641 4.864 0 50 EJAA Clc1ccc(Oc2ccc(NCc3cnnn3C3CC3)cc2)cc1 2325863426 JFQYGDBMMLIFKV-UHFFFAOYSA-N 340.814 4.671 0 50 EJAA CCOC(=O)c1cnc2ccccc2c1Nc1cccc(Cl)c1 98369 ODCBJHCPGDPUIG-UHFFFAOYSA-N 326.783 4.809 0 50 EJAA COc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 273901 ZQIRYZWGAOYFIG-OAQYLSRUSA-N 343.426 4.640 0 50 EJAA CCOc1c(Cl)cc(CNC2CCCCCCC2)cc1OC 5078346 SGVGNJGOVBBCRJ-UHFFFAOYSA-N 325.880 4.950 0 50 EJAA CCOc1cccc(/C=C\C(=O)Nc2nc3ccc(C)cc3s2)c1 5673767 KYAAXKRBVGZWJF-NTMALXAHSA-N 338.432 4.655 0 50 EJAA COc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2C)cc1 6254286 RXTVTPPXVIJGNQ-UHFFFAOYSA-N 327.767 4.570 0 50 EJAA Clc1ccc(COc2cccc(CNCc3ccccn3)c2)cc1 6701615 GNFUZTFFNMSCLI-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCC(C)CC1 13329545 JRLSDDZLWFATTQ-UHFFFAOYSA-N 332.831 4.612 0 50 EJAA Cc1cc(NCc2ccccc2)n2nc(-c3ccccc3)c(C)c2n1 40216589 DLGBJLZCUHNVRO-UHFFFAOYSA-N 328.419 4.625 0 50 EJAA CCOc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1ccccc1 44124733 VSQPBOQZBTWANL-RBUKOAKNSA-N 325.452 4.565 0 50 EJAA COCCC1(CN2CCC[C@@H]2c2ccc(COC)o2)CCCCC1 188539729 OURGOXFPFVJDFK-GOSISDBHSA-N 335.488 4.550 0 50 EJAA Cc1nnc([C@H](C)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)o1 230141432 WJNPRXMYDZXCND-GLJUWKHASA-N 329.444 4.646 0 50 EJAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)N1C[C@H]2CC[C@H]1C2 2325827623 LJLNFENGHMRVOW-GVXVVHGQSA-N 339.266 4.517 0 50 EJAA CC(C)O[C@@H](CN[C@H]1CCSc2ccccc21)c1ccccc1 2325829394 IXLZJZGTFMMRLU-OALUTQOASA-N 327.493 4.979 0 50 EJAA c1ccc(-n2nnnc2SC2c3ccccc3-c3ccccc32)cc1 68319 VCDMYEUGHVQRTJ-UHFFFAOYSA-N 342.427 4.524 0 50 EJAA Cc1ccc2[nH]c(SCc3ccc(Br)cc3)nc2c1 348616 RRZOLQBQTZWHJF-UHFFFAOYSA-N 333.254 4.926 0 50 EJAA COc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)cc1 564163 PSUXJYALTHTRBB-UHFFFAOYSA-N 338.407 4.622 0 50 EJAA Cc1cccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)c1 1773815 ZASQNWBHWWIMEW-UHFFFAOYSA-N 337.341 4.812 0 50 EJAA O=c1cc(-c2ccco2)oc2ccc(OCc3ccc(F)cc3)cc12 1978213 VEXUIGCUAHBCRF-UHFFFAOYSA-N 336.318 4.771 0 50 EJAA Brc1cccc(-c2nnc(SCc3ccccc3)o2)c1 2987347 BUNOSLQMNRGNBJ-UHFFFAOYSA-N 347.237 4.791 0 50 EJAA Cc1cccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1C 4955917 SIGDMDPKDYWZES-CVEARBPZSA-N 334.246 4.829 0 50 EJAA Cc1cc(C)c([C@@H](c2ccccc2)n2nnc3ccccc32)c(C)c1 5378803 JFUCYKXQJNXUFI-JOCHJYFZSA-N 327.431 4.994 0 50 EJAA Cc1nccc(NC(=O)c2csc(-c3ccccc3F)n2)c1Cl 163907237 XVZLQXWXTQXRMA-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@@H](C)c1ccccn1 179608142 PYDUSZUQUZEDFI-INIZCTEOSA-N 347.466 4.548 0 50 EJAA Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)c(C)c1 252452302 BBWLQNXFFZVDJX-QAPCUYQASA-N 328.481 4.529 0 50 EJAA Cc1nc2cc(Nc3ccnc(-c4cccc(Cl)c4)n3)ccc2n1C 1458203423 FWJZNVUQFJIADI-UHFFFAOYSA-N 349.825 4.736 0 50 EJAA CN(Cc1ccc(-c2ccccc2Cl)o1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529174240 RJFKMYMMXULKBF-GEEKYZPCSA-N 345.870 4.581 0 50 EJAA CC(C)N(C(=O)c1ccccc1-c1nccc2ncccc12)C(C)C 2356170945 VVKYUVRBISMSQZ-UHFFFAOYSA-N 333.435 4.556 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1 342242 YNRXHYYVCXXEHC-SECBINFHSA-N 328.170 4.539 0 50 EJAA COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCCC1 544321 RCUCTPXPYAWWMM-UHFFFAOYSA-N 346.430 4.701 0 50 EJAA COc1ccccc1[C@H](CCNCc1ccc(F)cc1)c1ccco1 2407363 QUHRQQMZKRQEOB-IBGZPJMESA-N 339.410 4.739 0 50 EJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1Cl)CC(=O)N2 4488935 ZFHFNXXMELEBIG-CYBMUJFWSA-N 345.826 4.612 0 50 EJAA C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 6251004 UWBICEKKOYXZRG-KJYHQLEASA-N 342.479 4.594 0 50 EJAA Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1Cl 17072481 BVFXZCYLPQEVGC-UHFFFAOYSA-N 348.880 4.560 0 50 EJAA CN1C(=O)N(c2cccc(-c3cccs3)c2)C(=O)[C@@H]1c1ccccc1 445901459 XDOAUYOTSKWDDB-SFHVURJKSA-N 348.427 4.555 0 50 EJAA Cc1sc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)nc1C(C)C 931884524 IBESQVHRENNBAP-OAHLLOKOSA-N 345.468 4.650 0 50 EJAA CCc1ccc([C@H](CN[C@H]2CCc3ccsc32)N(CC)CC)cc1 1875387977 IJNSKAXLNQVYOB-PMACEKPBSA-N 342.552 4.971 0 50 EJAA c1ccc(OCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 56271 FLJULUDKMNPSLQ-UHFFFAOYSA-N 343.430 4.718 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(C)C)c(C)c1 612039 ZCKWHZDTCRISTJ-UHFFFAOYSA-N 331.481 4.844 0 50 EJAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 1124693 QMHMTFICJMXDQP-MRXNPFEDSA-N 329.484 4.758 0 50 EJAA CC(C)(C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12245622 PNDWUCYPYBHZAB-AWEZNQCLSA-N 349.883 4.534 0 50 EJAA CCCO[C@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 15065540 SUICCMIAVPLTFM-KRWDZBQOSA-N 348.874 4.694 0 50 EJAA Fc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(Cc2ccccc2)C1 19743399 HYHBGEOHRBJUNJ-QGZVFWFLSA-N 335.426 4.595 0 50 EJAA CC[C@H](c1cccs1)n1ccnc1-c1ccc(NC(C)=O)cc1 71767915 UOMCZVHWEYSFIL-MRXNPFEDSA-N 325.437 4.569 0 50 EJAA CSc1cccc(CN(C)C(=O)c2ccc([C@H]3CCCO3)s2)c1 91914714 BDIFJSSTJOXYJZ-OAHLLOKOSA-N 347.505 4.594 0 50 EJAA CCOC(=O)Nc1cccc(NCc2nc(C(C)(C)C)cs2)c1C 121613584 WEPUYBXGDADXCW-UHFFFAOYSA-N 347.484 4.930 0 50 EJAA Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4ccco4)o3)cc2)n1 1875261943 QZTLEDXYHXSNFK-UHFFFAOYSA-N 347.374 4.594 0 50 EJAA CC[C@H](C(=O)Nc1cnccc1C(F)(F)F)c1cccc(Cl)c1 2325767691 AGFQFLDJWXBCBU-LBPRGKRZSA-N 342.748 4.886 0 50 EJAA CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1 69697 ZBDNCQFWYKMAGD-UHFFFAOYSA-N 343.477 4.816 0 50 EJAA CC(C)=CC(=O)Oc1ccc(-c2ccccc2)cc1Br 145706 LKJQQQAZMBDONN-UHFFFAOYSA-N 331.209 4.988 0 50 EJAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1 386372 HUAJGANTDNKMNH-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA COc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1 429004 PXTKDHIZCVOIRQ-UHFFFAOYSA-N 346.386 4.859 0 50 EJAA CCSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1 442510 LKCGKVBFUWPKJE-DHZHZOJOSA-N 347.509 4.600 0 50 EJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCCCCC3)c2c1 527698 NEMKHFJRUWTMHA-UHFFFAOYSA-N 345.446 4.621 0 50 EJAA COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 1397580 DFDYMDVBOAHPOF-OAHLLOKOSA-N 337.202 4.523 0 50 EJAA CC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2395404 XYFKYGSISGIFFD-LLVKDONJSA-N 328.847 4.877 0 50 EJAA CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 12381471 XBPTYIGUSLVQCA-UHFFFAOYSA-N 345.830 4.512 0 50 EJAA O=C(c1ccccc1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289589 SERIAGKGOQEFPE-UHFFFAOYSA-N 340.785 4.721 0 50 EJAA CC(C)c1cc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)no1 215200417 QRUDPFYUNSDVHW-SFHVURJKSA-N 337.423 4.790 0 50 EJAA O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 238900756 JSSBVGZWZPTGCP-PWHOCRISSA-N 349.908 4.742 0 50 EJAA CO[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)[C@@H](C(C)=O)CC[C@@H]23)[C@]2(C)CC[C@@H]3C[C@@]312 257357685 PJHBKOQWGPXVAP-UUIGFYMASA-N 330.512 4.859 0 50 EJAA Cc1cccc(-c2c[nH]nc2[C@@H]2CCCN(C[C@@H]3CC=CCC3)C2)c1 825224808 YRRPHZLSHVEERK-UYAOXDASSA-N 335.495 4.921 0 50 EJAA CCOc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 42865 PLPAJKCRFHSBJT-GXTWGEPZSA-N 328.239 4.615 0 50 EJAA Cc1cc(C(=O)[C@H](C)Oc2ccccc2)cc(C)c1Br 397787 RHINRKDFDSLRAJ-ZDUSSCGKSA-N 333.225 4.716 0 50 EJAA Cc1ccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)cc1C 578879 FMKHETSAFZBUEP-UHFFFAOYSA-N 333.431 4.930 0 50 EJAA O=C(COc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 1096657 MAKYWCRTGQUCMJ-UHFFFAOYSA-N 330.598 4.664 0 50 EJAA Cc1cc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)ccc1Cl 5680017 ZXEZRLNTVCVSDN-LLVKDONJSA-N 346.839 4.664 0 50 EJAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2ccoc2)C1 12439394 MHTKVKXIRZZGTA-LJQANCHMSA-N 345.442 4.626 0 50 EJAA Fc1ccc(-c2n[nH]cc2CN[C@H]2CCCc3ccccc32)c(F)c1 20601501 PIYOSABKNNLPKB-IBGZPJMESA-N 339.389 4.522 0 50 EJAA Cc1ccc(CNc2cccc(C(=O)N3CC=C[C@H]3C(C)C)c2)s1 65393776 VNNVWZUGAJLKHN-IBGZPJMESA-N 340.492 4.705 0 50 EJAA Cc1cnc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)o1 184954466 QANQDPGWTDICNN-NSHDSACASA-N 347.871 4.919 0 50 EJAA CC[C@H](N[C@@H]1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1 1875358787 JVYCAIGUNGYYRU-UXHICEINSA-N 337.511 4.813 0 50 EJAA Clc1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 112194 LJVKVWCPLOICDK-HNNXBMFYSA-N 339.826 4.541 0 50 EJAA Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 540485 KOJDNELXECMYIJ-UHFFFAOYSA-N 331.721 4.832 0 50 EJAA CCCCOC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 1770699 DROKXAPMXVXZCA-UHFFFAOYSA-N 347.436 4.940 0 50 EJAA O=C1OCC[C@H]1Sc1nc(-c2ccc(Cl)cc2Cl)cs1 2229883 JMZJRMOIESNGDN-LLVKDONJSA-N 346.260 4.525 0 50 EJAA O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1C1CCCC1 5762739 GSEVITVFVPQGRR-UHFFFAOYSA-N 338.234 4.567 0 50 EJAA COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1ccoc1)C2 14975635 HWBHQMCBVUBXGU-UHFFFAOYSA-N 349.430 4.658 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3cccc4ccccc34)CC2)c1 19635125 MVSZIDQWSGAVQV-UHFFFAOYSA-N 330.475 4.779 0 50 EJAA CC(C)(CCCCCCO)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 71746324 OVDBRQAUSFGKDW-FUHWJXTLSA-N 334.500 4.631 0 50 EJAA in-vitro Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 100973508 XSWDEGDPVXKSFR-BGYRXZFFSA-N 347.414 4.551 0 50 EJAA CC1(C)CCC[C@@H]([C@](C)(O)CNCc2ccc3c(c2)CCCC3)C1 2325841572 AEZXDMUWAGRXCL-IFMALSPDSA-N 329.528 4.622 0 50 EJAA COc1cc(OC)c(NC(=O)CCC2CCCCC2)cc1Cl 312105 ZSVQPFNURZYOIZ-UHFFFAOYSA-N 325.836 4.656 0 50 EJAA COc1ccc(Cl)cc1Nc1nc(-c2ccc(O)cc2)cs1 2860754 HMNLXHLJRBYVAH-UHFFFAOYSA-N 332.812 4.921 0 50 EJAA CCc1ccccc1NC(=O)CSc1cc(C)c2ccccc2n1 11903133 ICMOLTCKRVWMLX-UHFFFAOYSA-N 336.460 4.836 0 50 EJAA C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1CCCO1 12383294 AWBAUQCKEMTDQV-GZMMTYOYSA-N 344.263 4.505 0 50 EJAA C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 17067189 OPRZMNMSKRRJBT-MEDUHNTESA-N 328.283 4.745 0 50 EJAA CCCCc1ccc(-n2c(=S)[nH]c3sc(C)cc3c2=O)cc1 17067871 HFGOSTKWRAUDTJ-UHFFFAOYSA-N 330.478 4.761 0 50 EJAA Fc1cccc2c1nc(-c1csc(-c3ccccn3)n1)n2C1CC1 123930949 IGMPJEGLDTWQKE-UHFFFAOYSA-N 336.395 4.696 0 50 EJAA CO[C@H](C)c1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 170728274 AQYCDPVKXJUTHQ-CYBMUJFWSA-N 338.432 4.770 0 50 EJAA Cc1ccc(-c2nnc3n2CCCCC3)cc1N[C@H](C)c1ccccn1 179608224 PYDUSZUQUZEDFI-MRXNPFEDSA-N 347.466 4.548 0 50 EJAA C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 814130411 TXYYRRGRXGQBAR-CNUHFLJVSA-N 337.438 4.929 0 50 EJAA Cc1cc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)ccn1 1875306662 BOPDDDFQUVUPJF-MRXNPFEDSA-N 332.451 4.763 0 50 EJAA C[C@H](NCc1ccc(-c2cnco2)cc1)c1ccc(C(C)(C)C)nc1 2325794833 STURMZHCVNZMJN-HNNXBMFYSA-N 335.451 4.885 0 50 EJAA CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 451159 ZRMXDXDQJWEDAN-NSHDSACASA-N 338.234 4.883 0 50 EJAA Cc1ccc(Nc2nc([C@@H]3C[C@H](CC(C)C)C(=O)O3)cs2)cc1 452120 KIDKKXHDUVCMNA-BBRMVZONSA-N 330.453 4.845 0 50 EJAA COc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1Cl 555036 UMSMJLGJPSGXQR-GFCCVEGCSA-N 335.856 4.776 0 50 EJAA CCc1cc(=O)oc2cc(C)cc(OCc3c(F)cccc3F)c12 611499 KRACJQNJDSLDGN-UHFFFAOYSA-N 330.330 4.521 0 50 EJAA COC(=O)c1ccc(COc2ccc(Cc3ccccc3)cc2)cc1 618290 BXAIZSMNTCARDO-UHFFFAOYSA-N 332.399 4.643 0 50 EJAA CCOc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526032 BCXSKZHAGHBZEB-UHFFFAOYSA-N 327.767 4.652 0 50 EJAA CC[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C 12466564 JFISWJCPUZZMNN-QGZVFWFLSA-N 328.456 4.732 0 50 EJAA c1ccc(-c2cc(N3CCCC3)n3ncc(-c4ccccc4)c3n2)cc1 23115004 SYOOUQNLTMUKKO-UHFFFAOYSA-N 340.430 4.664 0 50 EJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3ncccn3)cc12 71779924 HNBWEDCMEYNFPZ-UHFFFAOYSA-N 332.382 4.685 0 50 EJAA CCOc1ccc(NC(=O)c2ncoc2-c2ccc(C)cc2)c(C)c1 172846965 JHCYCACZNNJTPM-UHFFFAOYSA-N 336.391 4.609 0 50 EJAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccsc1Cl 189321176 ZWSVYIOWYOXIDZ-ZDUSSCGKSA-N 349.887 4.664 0 50 EJAA CCc1nc([C@H](C)N[C@@H]2CCC[C@H]3OCC[C@@H]23)oc1-c1ccccc1 252538735 NGCVTPQROISFPX-IAAVTCLWSA-N 340.467 4.512 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)[C@@H](C)c2ccc(F)cc2F)c1C1CC1 1336228632 ONEPZEFKDWFJKP-NEPJUHHUSA-N 347.409 4.752 0 50 EJAA Cc1ccc(NC2CCN(Cc3cc4ccncc4s3)CC2)cc1 2325757082 COLIOSGSJXDMFT-UHFFFAOYSA-N 337.492 4.681 0 50 EJAA Cc1cc(C(=O)Nc2cccc3ccn(C)c23)c2c(c1)[C@H](C)CCN2 2325842484 ZVPRJYDKKGLXAV-CQSZACIVSA-N 333.435 4.658 0 50 EJAA COc1ccc(C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1 145207 HUPOUDKIWLWBJD-UHFFFAOYSA-N 347.414 4.688 0 50 EJAA Cc1ccc(OCCCC(=O)Nc2ccc(OC(C)C)cc2)cc1 1775690 DUYJHYSLFFRJFW-UHFFFAOYSA-N 327.424 4.580 0 50 EJAA CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H](C)C1 4026387 XIHJFMFAIYGPCL-JKLQHZFJSA-N 347.543 4.933 0 50 EJAA biogenic CC[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 4869129 OSMDUNUJODNXFZ-ZDUSSCGKSA-N 335.407 4.697 0 50 EJAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2Cc2cccc(Cl)c2)n1 67754526 JKXPJOGEWMPPFM-UHFFFAOYSA-N 348.837 4.950 0 50 EJAA C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 101641311 QQKRIDPKLWUPHG-MPPDQPJWSA-N 327.255 4.940 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H]1/C=C/c1cccs1 364147568 DDWJQLRYZGZNDX-VFNNOXKTSA-N 343.452 4.632 0 50 EJAA Cc1nc([C@@H](C)N(C)Cc2c(Cl)cncc2Cl)c(C)s1 952980060 FCXGRWFPHPCZCJ-MRVPVSSYSA-N 330.284 4.655 0 50 EJAA O=C(Oc1ccc(Nc2ncnc3ccccc23)cc1)c1cccs1 132697 STUGOKJJEQIZJU-UHFFFAOYSA-N 347.399 4.654 0 50 EJAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 609525 AQTWNTGQAMWCNK-LLVKDONJSA-N 325.355 4.825 0 50 EJAA COc1cccc2ccc(/C=C/c3cc4c(cc3Cl)OCO4)nc12 4182555 AFNTZUNUMWMINB-SOFGYWHQSA-N 339.778 4.796 0 50 EJAA O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 13633004 OEASWMAWUWRMHZ-UHFFFAOYSA-N 331.375 4.583 0 50 EJAA Cc1ccc(-c2c(C(=O)N[C@@H](C)c3ccncc3)csc2C)cc1 16603877 RQFVRYJEYXWLDV-AWEZNQCLSA-N 336.460 4.918 0 50 EJAA Fc1ccccc1-c1cn[nH]c1[C@H]1CCCN(Cc2ccccc2)C1 19743401 HYHBGEOHRBJUNJ-KRWDZBQOSA-N 335.426 4.595 0 50 EJAA Cc1cccc(-c2c(-c3ccccc3)ncn2Cc2cc(C)on2)c1 65463499 JRICAWRPQVAIHE-UHFFFAOYSA-N 329.403 4.870 0 50 EJAA Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl 100573174 MWAUQHLNXGQFJC-UHFFFAOYSA-N 332.234 4.580 0 50 EJAA C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1Cl)c1cccc(O)c1 112458492 MVSHESUCIXRLCI-ACJLOTCBSA-N 344.842 4.653 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)o1 1875258920 OAGVBTMPQNWZQU-QVJUXMRGSA-N 325.408 4.681 0 50 EJAA O=C1CCC[C@@H](Nc2ccc(Br)cc2)c2ccccc2N1 1875354201 CTBZVCUSTMMHMV-OAHLLOKOSA-N 345.240 4.725 0 50 EJAA C[C@H](NCc1cccc(Cn2cccn2)c1)c1csc2ccccc12 2325878548 UGIVFYJQCLPRPU-INIZCTEOSA-N 347.487 4.997 0 50 EJAA O=C(Oc1ccccc1)c1ccc(COc2ccccc2Cl)o1 37373 BNPVJTKHKPUZIC-UHFFFAOYSA-N 328.751 4.731 0 50 EJAA CCC(NC(=O)Nc1ccc(C)cc1C)(C(F)(F)F)C(F)(F)F 198126 WTENHEKLUKFSPU-UHFFFAOYSA-N 342.283 4.698 0 50 EJAA biogenic CC(=O)c1c(OCc2ccc(Cl)cc2)ccc2c(C)cc(=O)oc12 383203 SPKOWQLHDFXURK-UHFFFAOYSA-N 342.778 4.536 0 50 EJAA O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2Cl)o1 385969 HYCSQNXBHCVGSS-UHFFFAOYSA-N 339.203 4.962 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1C 399904 SJGINQNGCOENEW-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccccc2F)s1 435540 JHXVKIRWCJDJCV-UHFFFAOYSA-N 348.790 4.642 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 443341 KKEUPYZOYPGFHC-UHFFFAOYSA-N 331.415 4.837 0 50 EJAA O=C(Oc1cc(=O)oc2ccccc12)c1ccc(-c2ccccc2)cc1 463378 FMZPXTTULCUQSD-UHFFFAOYSA-N 342.350 4.679 0 50 EJAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)cc1 573137 SPXSOPODTFYBTA-UHFFFAOYSA-N 340.426 4.978 0 50 EJAA C[C@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)c1ccccc1 1018263 OZGTYXWMBRCWSH-SFHVURJKSA-N 329.443 4.870 0 50 EJAA O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccccc1Cl 1386412 XRXLIOPCXHGGGZ-UHFFFAOYSA-N 342.807 4.646 0 50 EJAA Cc1ccc(C)c(OCCNC(=O)c2ccccc2-c2ccccc2)c1 2862621 RXEJHGMXFYGUOF-UHFFFAOYSA-N 345.442 4.779 0 50 EJAA COc1cccc(-c2ccnc3c(-c4ccc(F)cc4)c(C)nn23)c1 6661329 JCXVXEIQOAAAMO-UHFFFAOYSA-N 333.366 4.519 0 50 EJAA Cc1ccccc1[C@H]1CCCN(C(=O)c2ccnc3ccccc23)C1 77379870 DXIPFPJZBDLJLI-KRWDZBQOSA-N 330.431 4.563 0 50 EJAA Cc1nc2cc(C(=O)NCCCSC3CCCCC3)ccc2s1 97681737 XKYMSJUGYJQVBR-UHFFFAOYSA-N 348.537 4.791 0 50 EJAA Cc1ccccc1-c1nc(C(=O)N(C)c2ccc3cc[nH]c3c2)cs1 242048025 VSAXWVAVAXGOIZ-UHFFFAOYSA-N 347.443 4.876 0 50 EJAA Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC[C@](C)(O)CC1 328594259 KLPDTHHREZKTHI-IBGZPJMESA-N 346.858 4.570 0 50 EJAA Fc1ccc(Cn2nc(C3CC3)nc2CCCc2cccs2)cc1 670473521 DBZVTHNBTCOAKS-UHFFFAOYSA-N 341.455 4.580 0 50 EJAA COc1cccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 2891370 ZQIRYZWGAOYFIG-NRFANRHFSA-N 343.426 4.640 0 50 EJAA C/C=C/c1ccc(OCCOc2ccc(C)cc2OC)c(OC)c1 2985954 HVFIFEIDDSHETI-AATRIKPKSA-N 328.408 4.503 0 50 EJAA Cc1ccc2[nH]cc(CCNC(=O)c3cc(Cl)ccc3Cl)c2c1 4487688 CGLSUGFMIJTSJR-UHFFFAOYSA-N 347.245 4.756 0 50 EJAA Clc1ccc(-c2ccc(CNCc3ccncc3)o2)c(Cl)c1 4942924 XYLUVNTVEXORRX-UHFFFAOYSA-N 333.218 4.938 0 50 EJAA COc1cc(CN2CCC[C@H](C)C2)ccc1OCc1ccccc1 4989096 MPWOWXODBGEVGT-KRWDZBQOSA-N 325.452 4.506 0 50 EJAA CCc1ccc(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)cc1 6283935 RBDWCAIJFNHYLP-UHFFFAOYSA-N 348.493 4.523 0 50 EJAA COc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)cc1 7572474 ZHYGSTMMATZSQN-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 130109880 XTNHJZHVJURGLA-BZNIZROVSA-N 343.402 4.615 0 50 EJAA NNc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl 163532280 JNXYWGUQXKYJRP-UHFFFAOYSA-N 345.045 4.568 0 50 EJAA CSCc1ccc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)o1 221302658 DHVIDUIIJTZBMZ-AWEZNQCLSA-N 349.883 4.816 0 50 EJAA Cc1ccc(Cn2c[n+](CCc3ccccc3)c3ccccc32)cc1 252497095 PYVOBEZGDHWZTR-UHFFFAOYSA-N 327.451 4.528 0 50 EJAA Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 209625 YVKXCQOHEYCVCN-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 358952 QRLGHZSGEFGOBX-LBPRGKRZSA-N 338.234 4.814 0 50 EJAA COc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 444550 GOMBBYVVUDWKTQ-UHFFFAOYSA-N 327.767 4.861 0 50 EJAA COc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 467498 PLSDFYZZEVUTNC-UHFFFAOYSA-N 332.812 4.519 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1782742 CNZIJVNUODGEPI-UHFFFAOYSA-N 331.799 4.549 0 50 EJAA O=C(c1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 4241516 JFWKNPFGZDOIAI-UHFFFAOYSA-N 330.008 4.987 0 50 EJAA CSC(=S)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 4800713 LTSLAZXKVXHJBF-KAMYHZANSA-N 326.486 4.948 0 50 EJAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C3CCSCC3)C2)cc1 23478137 PDRVYFIDBHSGLM-QGZVFWFLSA-N 345.552 4.774 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 25541152 SAOVUTZAPBDLOX-LRANODPOSA-N 346.511 4.920 0 50 EJAA Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN12 25762888 ZOVRBHYAISZQDK-XLIONFOSSA-N 334.350 4.661 0 50 EJAA Cc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 143558863 AEPAOVCXVUYHOS-UHFFFAOYSA-N 329.443 4.848 0 50 EJAA COCCC1(CN2CCC[C@H]2c2ccc(COC)o2)CCCCC1 188539754 OURGOXFPFVJDFK-SFHVURJKSA-N 335.488 4.550 0 50 EJAA COc1ccccc1NC(=O)c1sc2ccc(F)cc2c1Cl 252571990 YRCCCVBFFSFGSD-UHFFFAOYSA-N 335.787 4.955 0 50 EJAA CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@H]1OC(=O)Nc1ccccc1 252693120 AUTCMLIZMUTLIQ-CGTJXYLNSA-N 347.455 4.773 0 50 EJAA biogenic C/C(=C\c1ccccc1)CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 820390966 CXCQNUVBQHLPCJ-BDLBGIRVSA-N 338.539 4.819 0 50 EJAA COc1ccc(F)c(-c2nccn2C[C@@H]2CC[C@H]3CCC[C@H]32)c1F 1857716034 SZVXCIZEEFRJOP-HZSPNIEDSA-N 332.394 4.663 0 50 EJAA O=S(=O)(Nc1cccc2ccccc12)c1ccc2ccccc2c1 407951 GVMQOMHWFLBJRK-UHFFFAOYSA-N 333.412 4.794 0 50 EJAA CSc1ccc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 4815485 YKYRUSWMRFNIPZ-UHFFFAOYSA-N 335.900 4.761 0 50 EJAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC2CC2)c1 12049750 SHBUVFBRAIAYEJ-JOCHJYFZSA-N 332.447 4.534 0 50 EJAA C[C@@H]1CCc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2C1 13328020 YHXGJFQYYXUXRW-MRVPVSSYSA-N 341.263 4.827 0 50 EJAA Cc1ccc([C@H](C)CCN2CCN(c3cccc(C)c3C)CC2)o1 22077664 IYGXRHMEUZTQRP-QGZVFWFLSA-N 326.484 4.521 0 50 EJAA CC1(OCC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)CCC1 888120049 AHRHVDQWRVQTLE-UHFFFAOYSA-N 334.419 4.733 0 50 EJAA C[C@H](N[C@H](C)CCc1nccs1)c1cn(C)c2cc(Cl)ccc12 1875388202 QNBTZKLMYMWIHK-OLZOCXBDSA-N 347.915 4.960 0 50 EJAA COc1ccc(-c2c(C)sc3nc(-c4ccoc4)nc(O)c23)cc1 2325875325 NUABPFBBTWHIPD-UHFFFAOYSA-N 338.388 4.641 0 50 EJAA S=C(NCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 87255 AOXWRCQCRNBDFB-UHFFFAOYSA-N 346.499 4.764 0 50 EJAA COc1cc2ccccc2cc1C(=O)Nc1nc2ccccc2s1 97698 HKQOVKBQGAOTOP-UHFFFAOYSA-N 334.400 4.710 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 298949 ODWKMZMKJZPWFG-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA O=C(O)COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@@H]21 4028229 IUZPOFVYQIAPHI-NNNWTRQLSA-N 342.435 4.507 0 50 EJAA biogenic CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Cl)c1OCC 4840479 SFNZEIJXQULYNH-UHFFFAOYSA-N 337.778 4.529 0 50 EJAA C[C@@H](NC(=S)NCCc1ccccc1)c1ccc(C(C)(C)C)cc1 13774901 KVJSEBJAKOXUBB-MRXNPFEDSA-N 340.536 4.752 0 50 EJAA COc1ccc(C(C)(C)C)cc1NC(=S)NCc1ccc(C)cc1 13794194 KTEGSRVMKLWNFM-UHFFFAOYSA-N 342.508 4.788 0 50 EJAA Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(N)n1 20286611 GKPYYVCBCOKUPT-UHFFFAOYSA-N 326.208 4.663 0 50 EJAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 244723567 MDUNPKZOBHMOBW-LRSLUSHPSA-N 342.571 4.708 0 50 EJAA COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@@]21C 257357393 NTOWCXZNUSRHKI-NGWXBRGBSA-N 342.479 4.873 0 50 EJAA Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3cn4c(n3)CCCC4)c2C)c1 813326998 BTQMVQPDLHWXOM-INIZCTEOSA-N 349.482 4.503 0 50 EJAA O=C(c1cccc(-c2ccncc2)c1)N1Cc2ccc(Cl)cc2C1 1875349589 CXKWWIJVUCRRAM-UHFFFAOYSA-N 334.806 4.558 0 50 EJAA Clc1cccc(S[C@H]2CCN(c3ccnc4cnccc34)C2)c1 2325703887 VQHDXPHVKZSGNI-HNNXBMFYSA-N 341.867 4.654 0 50 EJAA Cc1cc(C)c(NC(=O)COc2c(C)ccc(C)c2C)c(Cl)c1 145292 KWUDFNDALOUDOL-UHFFFAOYSA-N 331.843 4.900 0 50 EJAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2C)c1 406454 UXMZHZSWWWDPGO-UHFFFAOYSA-N 329.399 4.787 0 50 EJAA CCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 458746 IVWAJDCZNBTLCW-DHZHZOJOSA-N 335.325 4.756 0 50 EJAA O=C(Oc1ccc2cc(Br)ccc2c1)N1CCCCC1 859135 RULXHBLRBKYNJB-UHFFFAOYSA-N 334.213 4.587 0 50 EJAA COc1ccc(Nc2ccc(NC(=S)NC3CCCC3)cc2)cc1 4702292 VJANYNBNBZTPEO-UHFFFAOYSA-N 341.480 4.668 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5275413 CGMZETDGTMDEAD-QCLOFMSXSA-N 332.528 4.841 0 50 EJAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1cccc(F)c1 36620899 QNAYKNQTTOYZDK-MRXNPFEDSA-N 336.769 4.987 0 50 EJAA CC(C)c1ccc(N[C@H]2CCCN(c3cnc4ccccc4n3)C2)cc1 72133881 FIKCLILNNQWSPE-IBGZPJMESA-N 346.478 4.834 0 50 EJAA CN(C/C=C/c1ccccc1)C(=O)c1csc(-c2cccs2)n1 82170666 RLJCDGFWWABFHB-WEVVVXLNSA-N 340.473 4.657 0 50 EJAA O=C(CC[C@H]1CCCOC1)Oc1ccc(-c2cccnc2)cc1Cl 2325760300 AUAJEJUXCBAQQC-CQSZACIVSA-N 345.826 4.514 0 50 EJAA Cc1cc2c(cc1Cl)N(C(=O)Nc1cccc3ncccc13)CC2 7442 HOVMHIRTZYQSKM-UHFFFAOYSA-N 337.810 4.791 0 50 EJAA in-vitro Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(N)c1-c1ccccc1 38069 OGNXRZFOZPSMEH-UHFFFAOYSA-N 348.837 4.916 0 50 EJAA CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 451158 ZRMXDXDQJWEDAN-LLVKDONJSA-N 338.234 4.883 0 50 EJAA CC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1C 457470 WLUYCSQREZNLMZ-UHFFFAOYSA-N 342.778 4.656 0 50 EJAA COC(=O)c1ccccc1NC(=O)Nc1ccccc1-c1ccccc1 612128 NNXVDLJCJXEMTG-UHFFFAOYSA-N 346.386 4.784 0 50 EJAA CCc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 2383713 VYNIHIICUDRYSV-UHFFFAOYSA-N 330.431 4.928 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 4980959 HWTIGYMZOMDMMW-UHFFFAOYSA-N 348.412 4.644 0 50 EJAA O=C(O)CCCCCCCCCCCNC(=O)NC1CCCCC1 13493679 HPTJABJPZMULFH-UHFFFAOYSA-N 340.508 4.604 0 50 EJAA in-vitro Fc1ccc(CN2CCC[C@H](c3[nH]ncc3Cc3ccccc3)C2)cc1 20109857 XCDGBTWVAATHEV-IBGZPJMESA-N 349.453 4.519 0 50 EJAA CCN(C(=O)Nc1ccc2sncc2c1)[C@H](C)Cc1ccsc1 194299387 SDYBPXYZDNQQCO-GFCCVEGCSA-N 345.493 4.843 0 50 EJAA CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3cc[nH]c3c2)s1 194336619 RJSKYMISFUBYKB-LBPRGKRZSA-N 342.468 4.720 0 50 EJAA Clc1c(CN2CCC(c3ccncc3)CC2)[nH]c2ccccc12 216000098 SEAGNAKWQZTSNJ-UHFFFAOYSA-N 325.843 4.596 0 50 EJAA C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C(F)F)nc1 850452654 PAUFIXGXDDHEFH-DYVFJYSZSA-N 348.393 4.750 0 50 EJAA Cc1csc([C@@H]2CCCCN2C(=O)Nc2c(C)noc2C(C)C)n1 932833156 OZRKOWYUXLOTJI-ZDUSSCGKSA-N 348.472 4.630 0 50 EJAA CCCCc1nc(-c2cccc(C(=O)OC(C)(C)C)c2)n(CCC)n1 1875348538 UVCHEXLFTCCHBD-UHFFFAOYSA-N 343.471 4.653 0 50 EJAA O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)cc1 64099 IDCWBRAMHKOFMF-BJMVGYQFSA-N 336.616 4.754 0 50 EJAA Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)c1 121398 XYBXAOUCNUGBDF-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Cc1cccc2c(C(=O)O)cc(-c3cccc(Br)c3)nc12 373702 INTXREIJSDMVSH-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1Br 427731 YWVLTAXUEYPMHG-AWEZNQCLSA-N 330.225 4.540 0 50 EJAA Cc1sc(NC(=O)c2ccc(F)c(F)c2)nc1-c1ccccc1 468938 UNWJFUSXLXAJPR-UHFFFAOYSA-N 330.359 4.649 0 50 EJAA COc1ccc(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)cc1 2552472 HQUXMELENZCCDS-UHFFFAOYSA-N 339.420 4.521 0 50 EJAA Cc1sc(NC(=O)C(C)(C)C)nc1C12CC3CC(CC(C3)C1)C2 4661959 SYBATWBIODVYDU-UHFFFAOYSA-N 332.513 4.904 0 50 EJAA CCOC(=O)C1(CCCc2ccccc2)CCN(C2CCCC2)CC1 12465663 HFTYZLAWHVLZCM-UHFFFAOYSA-N 343.511 4.597 0 50 EJAA O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)C1CCCCC1 15839928 DRTUBIBEMFAMCJ-GOSISDBHSA-N 328.843 4.521 0 50 EJAA Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)cc1 35561808 FICVGOQGHBTNEF-HXUWFJFHSA-N 340.442 4.961 0 50 EJAA CC(C)CN(Cc1ccccn1)Cc1ccc([C@H]2CCCCO2)o1 55133904 RJHSFFBHPAKFQP-LJQANCHMSA-N 328.456 4.574 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 64984589 DGTOGQMGBSXJRP-MRXNPFEDSA-N 333.819 4.650 0 50 EJAA COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(F)cc1 71375714 WETFFLBMBLLEOS-UHFFFAOYSA-N 347.393 4.657 0 50 EJAA Cc1cc(Br)cc(Cl)c1NC(=O)c1ccoc1Cl 192279039 NSLADROTDDACFV-UHFFFAOYSA-N 349.011 4.910 0 50 EJAA Clc1cccc(Cl)c1[C@H](NCc1nccn1C1CC1)C1CC1 894533899 AKYOKAKMNOZBSC-QGZVFWFLSA-N 336.266 4.766 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)c1cccc(CC(C)C)c1 2325842001 LRJBGNMLFGRUBN-FPOVZHCZSA-N 339.523 4.695 0 50 EJAA Cc1c(C)n(C(=O)CSc2nc3ccccc3o2)c2ccccc12 87778 KWCXBBJSWBFVOW-UHFFFAOYSA-N 336.416 4.832 0 50 EJAA O=C(NCc1ccco1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 174152 SVXDPQSXRYCGHN-UHFFFAOYSA-N 336.174 4.776 0 50 EJAA O=C1[C@H](c2ccccc2)c2ccccc2N1Nc1ccc(Cl)cc1 264369 RKYSHDDNTKSXQU-LJQANCHMSA-N 334.806 4.846 0 50 EJAA COc1ccc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC 276235 GKVLKQQITBVGCF-QGZVFWFLSA-N 333.387 4.597 0 50 EJAA CCc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)s1 373559 UFNGBZIWCNUFMP-UHFFFAOYSA-N 338.476 4.912 0 50 EJAA O=C(/C=C/c1ccccc1Cl)Nc1nnc(C2CCCCC2)s1 475017 DWTMFRFDCPFBGY-ZHACJKMWSA-N 347.871 4.891 0 50 EJAA CCc1cc(=O)oc2cc(OCc3ccccc3C)c(Cl)cc12 1164237 SOKRDUUKEYWGSB-UHFFFAOYSA-N 328.795 4.896 0 50 EJAA CC[C@@H](Sc1cc(C)c2ccccc2n1)C(=O)Nc1nccs1 11907452 CEGDTLRKDXLFCT-CQSZACIVSA-N 343.477 4.509 0 50 EJAA COc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccoc2)oc1C 12385987 RUKWJBOGWZUHSC-GOSISDBHSA-N 338.407 4.589 0 50 EJAA Cc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccccc3F)C2)cc1 19225769 KOVXNAAEXWVMDO-SFHVURJKSA-N 349.453 4.904 0 50 EJAA CCCC[C@H](CCC(=O)O)NC(=O)CCCCCCc1ccccc1 44606690 ANTPELWBOPVWPH-LJQANCHMSA-N 347.499 4.719 0 50 EJAA in-vitro CCSCCN(C(=O)N[C@H](C)c1ccc(C)nc1)C1CCCCC1 426523264 VWELYJDKZGNYSZ-MRXNPFEDSA-N 349.544 4.548 0 50 EJAA CCc1cccc(CC)c1NS(=O)(=O)c1cc(C)c(C)cc1C 1776003885 CKHZZXMPPSIXLT-UHFFFAOYSA-N 331.481 4.537 0 50 EJAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccc(CC2CC2)cc1 1875305295 OYKWVVYIMDOTNL-AQYVVDRMSA-N 349.474 4.759 0 50 EJAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C(CC(C)C)CC(C)C 1875357305 AYQWGXGGVGPNFX-MRXNPFEDSA-N 346.515 4.862 0 50 EJAA Brc1ccc2c3c(ccc2c1)OCN(c1ccccc1)C3 111220 KQRSVZCSCYOFIV-UHFFFAOYSA-N 340.220 4.959 0 50 EJAA FC(F)(F)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 186802 MAPCXBSFCJXBRO-UHFFFAOYSA-N 340.732 4.788 0 50 EJAA CC(C)COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 262184 YBLNQTLQBMVHJY-UHFFFAOYSA-N 337.341 4.993 0 50 EJAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 309462 WQMGNVIFHNOIGX-UHFFFAOYSA-N 337.444 4.771 0 50 EJAA COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 459556 MLAALIJEXXHIEG-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA COc1ccc([C@@H]2N(Nc3ccccc3)C(=O)C23CCCCC3)cc1 609425 ITDPUQRNPJEOHG-IBGZPJMESA-N 336.435 4.556 0 50 EJAA CCCCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1 2870214 TYHRYABMBLZYQN-UHFFFAOYSA-N 327.424 4.905 0 50 EJAA COc1ccc(OCCCCOc2ccccc2OC(C)C)cc1 2983728 WGXKZKGQBVMUFM-UHFFFAOYSA-N 330.424 4.720 0 50 EJAA O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccccc1F 4815211 BDXYTOXVLQEEHP-UHFFFAOYSA-N 341.363 4.505 0 50 EJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccs3)C2)cc1 12242543 IBLUXRRYMPKSIU-HNNXBMFYSA-N 341.455 4.657 0 50 EJAA CC(C)(NC(=O)OCc1ccccc1)c1cccc(Br)c1 85483658 CGRWRJTWKLTVNA-UHFFFAOYSA-N 348.240 4.611 0 50 EJAA Cc1cc(C)c(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c(C)n1 253392478 CWVIRCFALJPBKM-HNNXBMFYSA-N 338.451 4.588 0 50 EJAA C[C@@H](Cc1ccsc1)NC(=O)N(Cc1ccccc1Cl)C1CC1 426411260 HBTCQMMVKQBPBG-ZDUSSCGKSA-N 348.899 4.707 0 50 EJAA CCN(CC)[C@H]1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)C1 437928815 AWHPTQTUVNAHAT-SFHVURJKSA-N 345.531 4.881 0 50 EJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 2325863484 LMTBMAXSCRRNGR-ZRSRNVLSSA-N 339.822 4.973 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(-c2cn3ccccc3n2)cc1 319476 MSWJGSAOZBJOOM-UHFFFAOYSA-N 341.414 4.573 0 50 EJAA O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(F)cc1 529276 TYDRUZJKXZEQIE-UHFFFAOYSA-N 332.806 4.722 0 50 EJAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(C(F)(F)F)c1 2752899 KDMOVEXDMQZEPS-NSHDSACASA-N 337.316 4.826 0 50 EJAA COc1cccc(OCCCOc2cc(Cl)ccc2Cl)c1 2985077 HHOYXLHEIBTPDS-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA CCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccccc3)ccc12 2995077 PBFZYUTUWNUVHM-UHFFFAOYSA-N 336.387 4.663 0 50 EJAA CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 4320232 DCVJWVCDQNLFAZ-IRXDYDNUSA-N 347.462 4.603 0 50 EJAA O=c1c(-c2cc3ccccc3o2)c(C(F)(F)F)oc2cc(O)ccc12 5731731 YDSWAGLKOZSNNP-UHFFFAOYSA-N 346.260 4.931 0 50 EJAA biogenic CC(C)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 9230407 UYHNMXVPYOINEZ-UHFFFAOYSA-N 331.803 4.579 0 50 EJAA CCCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 13229485 BJVBVNBQRNCCNH-UHFFFAOYSA-N 331.213 4.781 0 50 EJAA CC1(c2cccc(C(=O)N[C@H]3CC[C@H](Oc4ccccc4)CC3)c2)CC1 1875305518 VFRADCSYYLROEH-XUTJKUGGSA-N 349.474 4.858 0 50 EJAA OC1CCC(N[C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 2325720046 HXDMWUWMEMYULD-YJJGSOMYSA-N 328.283 4.523 0 50 EJAA Cc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 46471 JDDHQJUEQOQDPL-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA c1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1 84281 SGXGHCIPPADGCD-UHFFFAOYSA-N 331.463 4.800 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 474393 HKAVWZFEFHLUMR-JTQLQIEISA-N 343.732 4.765 0 50 EJAA Cc1ccc(NC(=O)CSCc2c(F)cccc2Cl)c(C)c1 571925 WZPWHWHBVGHCAB-UHFFFAOYSA-N 337.847 4.968 0 50 EJAA Cc1ccc2nc(NC(=O)COc3ccccc3C(C)C)sc2c1 2815842 JUAJUJXONULWNY-UHFFFAOYSA-N 340.448 4.746 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 2998635 JTVOMCGYGZOHCC-UHFFFAOYSA-N 326.367 4.854 0 50 EJAA COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1Cl 3427660 VMABOLJCYAUDRA-UHFFFAOYSA-N 332.133 4.533 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 4821354 PSAPAZYEQRVNIW-KKSFZXQISA-N 337.463 4.600 0 50 EJAA Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1cccs1 6703074 VYCMTAKVJUIFJX-UHFFFAOYSA-N 333.416 4.624 0 50 EJAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(Cc1ccco1)C2 14988336 JLJDSXURERONMV-UHFFFAOYSA-N 349.430 4.658 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 33270597 LCZOKRHRPDQVAE-AWEZNQCLSA-N 333.819 4.568 0 50 EJAA CCc1nn2c(-c3cccc(OC)c3)ccnc2c1-c1ccc(F)cc1 71384895 MAUGFTVUOJMSMW-UHFFFAOYSA-N 347.393 4.773 0 50 EJAA COc1ccc(OC)c2c1[C@H]1CC[C@H]2C12C(C)(C)C2(Cl)Cl 101049754 HUWONRPQALIUBQ-NXEZZACHSA-N 327.251 4.879 0 50 EJAA CCCCCC[P@@](=O)(OC)Oc1ccc2c(C)cc(=O)oc2c1 116453305 UDTZADITECBVLJ-HSZRJFAPSA-N 338.340 4.900 0 50 EJAA FC1(F)CCN(c2ccc(Br)cc2C(F)(F)F)CC1 169725691 AXMBMTUBUNRJFV-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA CC(C)(C)[C@H](CCc1cccc(F)c1)N[C@H]1C[C@H](N)c2ccccc21 1875344043 CJCCICWRMOKUOB-ACRUOGEOSA-N 340.486 4.907 0 50 EJAA Clc1ccc([C@@H](OCCN2CCCCC2)c2ccccc2)cc1 57251 FLNXBVJLPJNOSI-FQEVSTJZSA-N 329.871 4.932 0 50 EJAA biogenic,world CCCCN(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 2498480 VHWMXBWTEFLTJQ-UHFFFAOYSA-N 336.523 4.953 0 50 EJAA COc1ccc(-c2nnc(Sc3cc(C)nc4ccccc34)o2)cc1 6792804 UNINWFNXQPTLFX-UHFFFAOYSA-N 349.415 4.753 0 50 EJAA N=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)S1 6882864 JMJWDKZBLSIEHV-NTEUORMPSA-N 346.864 4.630 0 50 EJAA CCC[C@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl 12062239 DNWCNFZWDYKZFR-KRWDZBQOSA-N 332.806 4.711 0 50 EJAA Cc1nc([C@H](C)N(C)C(=O)c2ccc(-c3ccco3)cc2)c(C)s1 82125967 ZFORBBRJTWRBBD-LBPRGKRZSA-N 340.448 4.853 0 50 EJAA CSc1ccccc1C(=O)Nc1cnccc1-c1cccc(F)c1 177543879 RSMUEXDPSKVJCS-UHFFFAOYSA-N 338.407 4.862 0 50 EJAA CCOc1ccc(Oc2ccc(NC[C@@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 2325864589 SVSHGZNFLSEUCH-IWMITWMQSA-N 339.435 4.857 0 50 EJAA Cc1nc(SCc2ccc(F)cc2)c2c3c(sc2n1)CCC3 89266 KEZBZKUOQSMFDB-UHFFFAOYSA-N 330.453 4.920 0 50 EJAA CCOc1ccc(-c2nc([C@@H]3COc4ccccc4O3)cs2)cc1 197703 GSFWNYXUHRKUPD-SFHVURJKSA-N 339.416 4.721 0 50 EJAA COc1c(Cl)cc(C(=O)Nc2cccc3ncccc23)cc1Cl 360439 ALTGCOZKCXUVIU-UHFFFAOYSA-N 347.201 4.803 0 50 EJAA Cc1cccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1 5730717 FTGSJTAYEJIPJK-UHFFFAOYSA-N 336.265 4.618 0 50 EJAA biogenic CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13304454 ITNCIGYKTVOSNI-MJGOQNOKSA-N 326.827 4.866 0 50 EJAA CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1F 16647795 ZSDCQCKZQFMUKU-QGZVFWFLSA-N 340.423 4.883 0 50 EJAA SC1=N[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1CC2 16974581 CEUVYLKUHIQWOL-INIZCTEOSA-N 326.852 4.628 0 50 EJAA Cc1ccc(-n2c(S)nnc2CSCc2ccccc2)cc1C 17071479 WOUNPHHFEQSXFJ-UHFFFAOYSA-N 341.505 4.606 0 50 EJAA COc1ccc2c(C)c(C(=O)c3ccc(Br)cc3)oc2c1 20298893 MVTBBXGKCXOCST-UHFFFAOYSA-N 345.192 4.743 0 50 EJAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C(F)F)c1 171552686 NPGHNSJQIBURIY-ZWKOTPCHSA-N 345.389 4.522 0 50 EJAA COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 245309391 CNVSMRIFPOSVDX-GMDNEQJLSA-N 349.430 4.690 0 50 EJAA COc1cccc2ccc(-c3cc(OC(F)(F)F)ccc3O)nc12 1244457209 XNRQCPAZHXIGOZ-UHFFFAOYSA-N 335.281 4.515 0 50 EJAA Cc1noc(C)c1C[C@@H](C)C(=O)Nc1cccc(-c2ccccc2)c1 1875257266 ITSATHJAXKEGEY-CQSZACIVSA-N 334.419 4.776 0 50 EJAA COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 151970 ZCHDTHLQGLTWKM-UHFFFAOYSA-N 344.823 4.724 0 50 EJAA CCOc1ccccc1OCCOc1cccc(C(F)(F)F)c1 2984185 RXCOKACOZBZRJU-UHFFFAOYSA-N 326.314 4.562 0 50 EJAA OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 4716437 NBNTWDUNCHRWMT-UHFFFAOYSA-N 330.214 4.673 0 50 EJAA biogenic COc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)cnn23)cc1 21798990 MKJQKNSVFAKEKC-UHFFFAOYSA-N 348.381 4.596 0 50 EJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 65337363 OAUWBPIKAQYWJI-UHFFFAOYSA-N 329.343 4.641 0 50 EJAA in-vitro O=C(Nc1cccc(F)c1)N1CCC(Oc2ccccc2Cl)CC1 152501984 VTZSMZIYBHSWLP-UHFFFAOYSA-N 348.805 4.554 0 50 EJAA Cc1c(CO)[nH]c2ccc(-c3cccc([C@H](C)N4CCCC4)c3)cc12 426399423 ODCZZYMJVIAGQO-INIZCTEOSA-N 334.463 4.792 0 50 EJAA O=C(OCCOc1ccccc1)c1sc2ccccc2c1Cl 2136123 PMEOPFZTDXFZNO-UHFFFAOYSA-N 332.808 4.791 0 50 EJAA Cc1cccc(-n2cc(CO)c(-c3ccc(Cl)cc3Cl)n2)c1 2544758 YSIHDCKMWRKFQE-UHFFFAOYSA-N 333.218 4.647 0 50 EJAA Cc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1Cl 4542108 KTZJJENCPGPUNK-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Clc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 7018150 NUSWIKBDIDJYPO-UHFFFAOYSA-N 331.806 4.774 0 50 EJAA CCCCn1nc(C)c2c(C(F)F)cc(-c3cn(CC)nc3C)nc21 8782663 LRALKIJKVOZWAV-UHFFFAOYSA-N 347.413 4.669 0 50 EJAA O=C(O)C1CCC(N[C@H](c2ccc(Cl)cc2)c2ccsc2)CC1 263496427 TVBRWKMJYDURLG-QWFMPGPPSA-N 349.883 4.724 0 50 EJAA CC(C)(Cc1ccccc1)c1noc(Cc2cccc3cccnc23)n1 445797725 BYJBPGHOVLTPEW-UHFFFAOYSA-N 343.430 4.729 0 50 EJAA Cc1ccc(C)c([C@H](C)N(C)C(=O)CCc2c[nH]c3ccccc23)c1 499096132 KGBMJCMJIASQQG-KRWDZBQOSA-N 334.463 4.937 0 50 EJAA COc1cccc(Oc2ccc(NC(=O)C3C(C)(C)C3(C)C)cn2)c1 952990642 ZSFSLJQSYQMBGL-UHFFFAOYSA-N 340.423 4.503 0 50 EJAA Cc1ccc(C)c(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)c1 1776003794 BTRGHECRQODAHN-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA Clc1cnc(N2CCC[C@H]2c2nc3ccccc3[nH]2)c(Cl)c1 1857530875 KNHVCWOUGNDBJY-AWEZNQCLSA-N 333.222 4.606 0 50 EJAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cccnc2)CC1 1875337270 VKPTYQIIUHJFNL-JCNLHEQBSA-N 340.492 4.682 0 50 EJAA FC(F)(F)c1cc(OCCCOc2ccc(Cl)cc2)ccn1 1875360679 FTYDAZWQJQUJEU-UHFFFAOYSA-N 331.721 4.602 0 50 EJAA O=C(CSCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 443610 YMTPFCVCOQKAJR-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 454458 MOGZALSEYLGVIH-UHFFFAOYSA-N 343.593 4.687 0 50 EJAA Cc1sc(NC(=O)Cc2ccc(Cl)cc2)nc1-c1ccccc1 460625 HWRLTUFDRKGDNL-UHFFFAOYSA-N 342.851 4.953 0 50 EJAA CCC(=O)Oc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 468241 GXINOUGWIYTWJC-UHFFFAOYSA-N 345.398 4.921 0 50 EJAA CCc1cc(=O)oc2cc(C)cc(OCc3ccc(Cl)cc3)c12 1164416 QHJGUKLQOBNURD-UHFFFAOYSA-N 328.795 4.896 0 50 EJAA CCc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1 8594453 XWXMNHSCFSZKQQ-UHFFFAOYSA-N 343.434 4.738 0 50 EJAA CCCCNc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 10383590 DUEPCOARBMHNLA-UHFFFAOYSA-N 328.847 4.879 0 50 EJAA FC(F)(F)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 13543703 VFAPKOPKAUCZMX-UHFFFAOYSA-N 344.789 4.845 0 50 EJAA COc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N12 19800711 ZYNSVKVRUBHSMG-XUFGXFBWSA-N 340.426 4.622 0 50 EJAA CC/C=C\CCc1c(-c2ccccc2)ncn1CCn1ccnc1C 65426097 NJXSSOIUWJZWJZ-PLNGDYQASA-N 334.467 4.654 0 50 EJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1Cl 827721733 QOPAOTQZFBQRJG-GFCCVEGCSA-N 334.847 4.619 0 50 EJAA O=C(Nc1ccc(Cl)c2ccncc12)[C@H]1CCOC2(CCCC2)C1 907822169 UJHMJANQHZTELK-ZDUSSCGKSA-N 344.842 4.566 0 50 EJAA C[C@@H](NC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)c(F)c1 1458053517 AKLVMSJKIRUXJB-CYBMUJFWSA-N 342.801 4.761 0 50 EJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 85861 QEBLWFREPQBFBV-UHFFFAOYSA-N 349.230 4.856 0 50 EJAA O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 146812 WHLMQGIMSUMKRF-UHFFFAOYSA-N 349.817 4.620 0 50 EJAA Cc1sc(NC(=O)/C=C/c2cccs2)c(C(=O)OC(C)C)c1C 375514 NORPRSLCKDLRLL-BQYQJAHWSA-N 349.477 4.644 0 50 EJAA O=C(NCCc1ccc(F)cc1)/C(=C/c1ccccc1)c1ccccc1 466204 PWOQEXKTOHXLPG-OQKWZONESA-N 345.417 4.725 0 50 EJAA Cc1cc(C)cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 858643 ZTGQUMXUBOSIFQ-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA C[C@H]1CCC[C@H](C)N1C(=O)CCCOc1ccc(Cl)cc1Cl 4020131 DBIYUFJDAUQTLQ-STQMWFEESA-N 344.282 4.942 0 50 EJAA CCCN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 12712063 UPIKXWLVJMZMOP-UHFFFAOYSA-N 336.479 4.723 0 50 EJAA CC(C)c1ccc(N[C@@H]2CCCN(c3cnc4ccccc4n3)C2)cc1 72133880 FIKCLILNNQWSPE-LJQANCHMSA-N 346.478 4.834 0 50 EJAA FC(F)(F)c1cccc(O[C@H](CN2CCCC2)c2ccccc2)c1 96027763 QXBFSKMCWGOYSU-GOSISDBHSA-N 335.369 4.921 0 50 EJAA Brc1ccccc1-c1ccc(CNc2cccnn2)s1 170607192 DKHUZHKNQLURCR-UHFFFAOYSA-N 346.253 4.580 0 50 EJAA COc1ccc(F)cc1-c1cccc(C(=O)N2CCCCCCC2)c1 299784428 HUAKFXLFHAOBDN-UHFFFAOYSA-N 341.426 4.908 0 50 EJAA Cc1ccsc1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 426389569 DLKMZSOEVJUDSJ-GOSISDBHSA-N 343.492 4.755 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1cc(F)c(Cl)cc1Cl)C2 1704300566 YXWKNJGCNWFPMQ-IAGOWNOFSA-N 346.273 4.914 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 253043 AEGVGHXMGAJARF-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA CCN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 359038 QWASZGRVICZXID-UHFFFAOYSA-N 340.492 4.525 0 50 EJAA Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)c(C)c1 399775 ARTUANBTPJIFRI-UHFFFAOYSA-N 337.444 4.830 0 50 EJAA CC(C)(C)C(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 619017 NBJNHWIEEKJAFK-UHFFFAOYSA-N 345.826 4.586 0 50 EJAA Cc1cccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1C 2306473 DWCFSVMFXDWHHA-GOSISDBHSA-N 344.458 4.884 0 50 EJAA Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)c(Cl)cc12 5040143 AKVYQDSAOFCBGP-UHFFFAOYSA-N 335.186 4.987 0 50 EJAA CCCC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1cc2ccccc2o1 65493058 NABMXMMORSKAFV-MRXNPFEDSA-N 348.402 4.646 0 50 EJAA Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2CCc2cccs2)c1F 91254739 PEHCQQSDAKQKTQ-CQSZACIVSA-N 349.446 4.962 0 50 EJAA CO[C@H](C)c1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1 170728988 HCLACDMHXFMNRZ-CYBMUJFWSA-N 338.382 4.642 0 50 EJAA C[C@@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cncc(F)c1 182923665 OKADLXHMEHXZFV-CQSZACIVSA-N 336.414 4.594 0 50 EJAA O=C(CCCc1ccc(Cl)cc1)NCc1cnc2ccccc2c1 216388288 QJLPRWDHBUJNKJ-UHFFFAOYSA-N 338.838 4.527 0 50 EJAA CO[C@@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]312 257357683 PJHBKOQWGPXVAP-NKUCABPZSA-N 330.512 4.859 0 50 EJAA O=C(c1ccc(-c2nc3ccccc3s2)cc1)N1CCC(F)CC1 426441754 KFZMTYHFHLZHJG-UHFFFAOYSA-N 340.423 4.537 0 50 EJAA CSc1cccc(NC2CCN(CCc3ccccc3)CC2)c1 227684 PMGDTCMTPZBFOP-UHFFFAOYSA-N 326.509 4.528 0 50 EJAA COc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 363547 IGMSIYISLCHOBR-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 450867 PXEKODSRJYWUSR-AWEZNQCLSA-N 326.465 4.635 0 50 EJAA Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 2301222 AMNNZFVHKIVUCQ-KRWDZBQOSA-N 331.415 4.543 0 50 EJAA Cc1cc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)no1 2875954 SPBHKUOUARXCPQ-UHFFFAOYSA-N 336.269 4.514 0 50 EJAA N=C1NC(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)S1 4492093 IKLHNYHUKUXLBK-NTEUORMPSA-N 346.864 4.630 0 50 EJAA COc1ccccc1NC(=O)CSCc1cccc2ccccc12 4841595 NAHJSSMUAZVFOL-UHFFFAOYSA-N 337.444 4.720 0 50 EJAA CCCCC(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 5101195 OLSPIMKQRZGVNQ-UHFFFAOYSA-N 342.830 4.511 0 50 EJAA OC[C@@]1(CCc2ccccc2)CCCN(Cc2ccc(Cl)s2)C1 11720116 XZEUQGPHDOVSQY-LJQANCHMSA-N 349.927 4.609 0 50 EJAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(C[C@@H](C)c2ccccc2)C1 12244015 XLIYENZIUOKTLX-MJGOQNOKSA-N 325.500 4.591 0 50 EJAA O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1 27647189 BIODYGOZWZNCAG-UHFFFAOYSA-N 345.446 4.721 0 50 EJAA in-vitro O=C(c1ccc2cnccc2c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 451684751 VZZKUOIQWYWRMP-VSKRKVRLSA-N 342.442 4.643 0 50 EJAA Cc1cc(COC(=O)c2ccccc2C2CCC2)nn1-c1ccccc1 1875336387 YTRDSIHTLJUQJQ-UHFFFAOYSA-N 346.430 4.805 0 50 EJAA Clc1ccc(N=c2[nH]c(-c3ccc4c(c3)CCCC4)cs2)cn1 2325823937 JGWQMBAMSFXNCH-UHFFFAOYSA-N 341.867 4.903 0 50 EJAA Cc1ccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)cc1 121356 ZUSQAQBAYGEDEN-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)c1ccco1 373938 YQEQTYHTZRASJJ-UHFFFAOYSA-N 337.766 4.500 0 50 EJAA COc1ccccc1NC(=O)Oc1ccc(OCc2ccccc2)cc1 399186 WVIVLYGGVPWVSD-UHFFFAOYSA-N 349.386 4.885 0 50 EJAA Cc1ccc(NC(=O)CCCOc2ccccc2)c(Br)c1 1779461 KOXUKGFNFLSKBS-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1C(=O)O 4542520 PAKPVCWCWMECHN-UHFFFAOYSA-N 325.408 4.884 0 50 EJAA CC(C)(C)c1cc(NC(=O)C2c3ccccc3Oc3ccccc32)no1 12381577 DLOJPKUJTVVAJD-UHFFFAOYSA-N 348.402 4.848 0 50 EJAA Cc1ccccc1[C@@H](CC(=O)N(C)Cc1ccccn1)c1ccccc1 12435961 GOIPSXABVUELAE-QFIPXVFZSA-N 344.458 4.571 0 50 EJAA COc1ccc([C@@H](NC(=O)Nc2ccsc2Cl)C2CC2)cc1 189387587 FCWFKDHYFCGVGV-AWEZNQCLSA-N 336.844 4.683 0 50 EJAA CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498096 ILCTUFVQFCIIDS-LXUBCWKISA-N 332.484 4.530 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@]12C 257346166 SYTVBUBBHFDVIK-JHIKAQFYSA-N 332.484 4.530 0 50 EJAA FC(F)(F)c1cc(Cl)c2nc(CNc3ccccc3)cn2c1 261494831 KOACNIRCRGTYAH-UHFFFAOYSA-N 325.721 4.619 0 50 EJAA O=C(Nc1cncc2ccccc12)C1=CCCc2ccc(Cl)cc21 1875340485 DGPUYQMHPIIWJQ-UHFFFAOYSA-N 334.806 4.857 0 50 EJAA Cc1cc(C)c([C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)c(C)c1 2325828778 QWNIRQGKWXLUFE-MRXNPFEDSA-N 329.871 4.530 0 50 EJAA CCc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 38629 DVDHQUZKWYEEAU-NSHDSACASA-N 339.218 4.929 0 50 EJAA CCOc1ccc(NCCC(=O)c2cccc(Br)c2)cc1 409543 FYOPBEBPYMAHFJ-UHFFFAOYSA-N 348.240 4.533 0 50 EJAA COc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21 462564 NOHKVICCEWMVFE-UHFFFAOYSA-N 328.415 4.684 0 50 EJAA CCOc1ccc(OCCSc2nc3ccccc3s2)cc1 2125304 KTSFHQHWIHOTLC-UHFFFAOYSA-N 331.462 4.866 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)NCCCc1ccccc1 2748346 ITTMCCVYLDPZNT-UHFFFAOYSA-N 343.470 4.958 0 50 EJAA COc1cc(C)ccc1OCCOc1cc(Cl)ccc1Cl 2985908 ZNDCDSCOQKJWAU-UHFFFAOYSA-N 327.207 4.768 0 50 EJAA Cc1ccc(Nc2ncnc3ccc(Br)cc23)c(C)c1 3953644 XVNBXFKMNBXKQN-UHFFFAOYSA-N 328.213 4.753 0 50 EJAA COc1ccc(-c2nc3ccccc3nc2NCc2ccco2)cc1 22588955 RHUKFFQRMKTUIW-UHFFFAOYSA-N 331.375 4.511 0 50 EJAA CCc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 64985112 CSRGQQKMFZCTPJ-QGZVFWFLSA-N 327.428 4.729 0 50 EJAA Cc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1C 119854623 QRXUUJYHSWLWDW-DNVCBOLYSA-N 339.483 4.501 0 50 EJAA c1ccc([C@@H]2OCC[C@H]2CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 191852037 DGUBNQFMJSMLRL-DWLFOUALSA-N 349.474 4.800 0 50 EJAA COc1nccc(CNc2ccc(Oc3ccc(F)cc3)cc2)c1F 1179641440 NRQXHWQPKFNPRK-UHFFFAOYSA-N 342.345 4.773 0 50 EJAA Fc1ccc(Cl)cc1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857693391 VFWJGMJQUWYSLY-KBXCAEBGSA-N 347.865 4.607 0 50 EJAA CN(C(=O)c1ccc(COc2ccccc2Cl)o1)c1ccccc1 115591 AUSQFGIOJWIZPY-UHFFFAOYSA-N 341.794 4.789 0 50 EJAA Cc1ccc(SCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 2948438 OXYDDCFLXANJKG-UHFFFAOYSA-N 327.493 4.815 0 50 EJAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCOc1ccccc1 5942834 XBJIGZBXAGUNPC-OAQYLSRUSA-N 334.463 4.912 0 50 EJAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CSc2ccccc2)cc1 101672595 RQTSUNXDAHITAQ-QRFRQXIXSA-N 337.488 4.897 0 50 EJAA c1ccc([C@H]2OCC[C@@H]2c2nnc(CCCc3cccs3)o2)cc1 299745350 YFZXRUZRTWOCOQ-FUHWJXTLSA-N 340.448 4.552 0 50 EJAA Cc1cc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c(F)cc1F 2325823934 JDHPWJIMDKLAMV-UHFFFAOYSA-N 337.782 4.611 0 50 EJAA Clc1ccccc1Nc1ncnc2ccc(Br)cc12 101727 FCDADNVXSSNCQS-UHFFFAOYSA-N 334.604 4.789 0 50 EJAA O=C(O)Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1 169463 GJKWJSNKAHQBMK-UHFFFAOYSA-N 329.808 4.758 0 50 EJAA Cc1cc(Cl)c(OCCCCNC(C)(C)C)c(Br)c1 3001207 HEPYZBYATIMPNQ-UHFFFAOYSA-N 348.712 4.958 0 50 EJAA CC(=O)Oc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 4868712 JCEISYRKKVMCPW-UHFFFAOYSA-N 343.467 4.720 0 50 EJAA Cc1cccc(C)c1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72147884 CTWLZTPJMJSCOQ-UHFFFAOYSA-N 328.419 4.854 0 50 EJAA Cc1nc([C@H]2CCCN2Cc2ccc(C3CCCCC3)s2)n[nH]1 97527928 BEZBBRWVAWFFTN-MRXNPFEDSA-N 330.501 4.559 0 50 EJAA CC(C)[C@@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cc2ccccc2o1 170066028 KPLQFLFKLDPIEF-KSFYIVLOSA-N 348.446 4.846 0 50 EJAA CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1 170624632 JGLZFLDOPSAYFQ-DLBZAZTESA-N 347.336 4.650 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257355726 CGMZETDGTMDEAD-KWPCTOSPSA-N 332.528 4.841 0 50 EJAA CC(=O)NCCCCCC(=O)N1c2ccccc2C=Cc2ccccc21 1775994455 OOQIYGNUWMLHBA-UHFFFAOYSA-N 348.446 4.532 0 50 EJAA COC(=O)Cn1ccc2c(N[C@H](C)[C@H]3CCC(C)=C(C)C3)cccc21 2325824642 KUPRCAOZOPTKOZ-SJORKVTESA-N 340.467 4.751 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1 70473 HFQAKYAHERVUPT-VIFPVBQESA-N 336.178 4.578 0 50 EJAA Clc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1 296462 BMKXDDWTESAGJD-UHFFFAOYSA-N 335.190 4.546 0 50 EJAA Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1 342216 ANXDAPLDCKBPIB-UHFFFAOYSA-N 346.839 4.584 0 50 EJAA c1ccc(COc2ccc(CN3CCc4ccccc4C3)cc2)cc1 1226201 DHGHDLRMOGDQNY-UHFFFAOYSA-N 329.443 4.824 0 50 EJAA O=C(C[C@@H]1Sc2ccccc2N=C1O)Nc1cccc2ccccc12 1248510 LIPBXJACEOFBKP-SFHVURJKSA-N 348.427 4.931 0 50 EJAA CCCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S 2792696 OCYJPLUVWFEUNM-UHFFFAOYSA-N 349.353 4.644 0 50 EJAA Cc1ccc(C)c(NC(=O)CSCc2c(F)cccc2Cl)c1 2870508 XKQPHQPLXKTFHI-UHFFFAOYSA-N 337.847 4.968 0 50 EJAA O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1 4577819 VNSIZTQFESENDA-CCEZHUSRSA-N 342.373 4.695 0 50 EJAA CC(C)(C)c1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1 4637991 BGEULKLIKKJDIZ-UHFFFAOYSA-N 330.811 4.799 0 50 EJAA aggregator CC(C)c1cc(NCc2cccnc2)n2ncc(-c3ccccc3)c2n1 5204541 GXSYVPGOTNOHFY-UHFFFAOYSA-N 343.434 4.527 0 50 EJAA CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OCC)cc3)=NN21 6045614 FSVQBXUFAOCYLX-PZJWPPBQSA-N 336.435 4.755 0 50 EJAA NC[C@@H](c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 15446325 VCUJNFWOXYZUSK-AWEZNQCLSA-N 333.275 4.815 0 50 EJAA in-vitro CC(C)N(C(=O)c1ccccc1-c1ncnc2sccc12)C(C)C 32498429 DPPUIIAAZQDABV-UHFFFAOYSA-N 339.464 4.617 0 50 EJAA CC[C@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1ccco1 65386116 YVPKOQLIJRTPRF-MRXNPFEDSA-N 332.407 4.543 0 50 EJAA CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C 137580220 BZJSNQIIXJXKDL-GJJHYRHESA-N 328.500 4.601 0 50 EJAA O=C(CN1CCCCCC1)N1c2ccccc2C=Cc2ccccc21 27741 IHTGWHZTCSJXTB-UHFFFAOYSA-N 332.447 4.711 0 50 EJAA COc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(OC)c1 176160 DZTQIKMNRRZWPC-UHFFFAOYSA-N 347.823 4.824 0 50 EJAA CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 514279 LKWCWQDEROXDSL-UHFFFAOYSA-N 337.444 4.717 0 50 EJAA COC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl 621623 VCYCLLWNHNPXCY-UHFFFAOYSA-N 345.826 4.676 0 50 EJAA CCCCN(CCCC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2766901 WITUGDIJANTURX-OAHLLOKOSA-N 325.880 4.845 0 50 EJAA CC(=O)N(c1ccc(Cl)cc1)c1cn(C(C)=O)c2ccccc12 2992030 YUFJLYGMGGGLSP-UHFFFAOYSA-N 326.783 4.639 0 50 EJAA O=C(Nc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 10326865 LAWONDIMPWDWBI-UHFFFAOYSA-N 328.843 4.578 0 50 EJAA Cc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 22734519 RDOVULMAZOVCLL-UHFFFAOYSA-N 349.305 4.620 0 50 EJAA CCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)on1 64985099 DWMYERYVHKFBEO-HNNXBMFYSA-N 333.819 4.568 0 50 EJAA C[C@@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 101800169 LEQQCEPSIRJURM-MROQNXINSA-N 342.430 4.817 0 50 EJAA COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)O[C@@H]1CCCC[C@@H]21 169678575 XEZFXTLWFUBFTN-RRMPHLOHSA-N 342.410 4.989 0 50 EJAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)C1 437928814 AWHPTQTUVNAHAT-GOSISDBHSA-N 345.531 4.881 0 50 EJAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1C 465982 ZTHNKKVRBGWKSS-ZDUSSCGKSA-N 337.341 4.728 0 50 EJAA O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCCC1 609141 FRDJDPOXGFUVPI-HXUWFJFHSA-N 343.854 4.767 0 50 EJAA COc1cccc(OC)c1OCCCOc1ccc(C)cc1Cl 2983828 HRTSWDBDIXPRMC-UHFFFAOYSA-N 336.815 4.514 0 50 EJAA c1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1 3906116 WACXPWUMJWKXLJ-UHFFFAOYSA-N 327.387 4.506 0 50 EJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 4488943 NIWGDZRRAPLFEG-CQSZACIVSA-N 345.826 4.612 0 50 EJAA O=C(c1cccs1)N1Cc2ccccc2O[C@H](c2ccccc2)C1 12149283 PTNAFCCDEFRHCQ-SFHVURJKSA-N 335.428 4.524 0 50 EJAA COc1ccccc1Oc1ncccc1CNc1ncccc1Cl 71278682 KHSJJJBYPPSOHK-UHFFFAOYSA-N 341.798 4.543 0 50 EJAA CC(C)C[C@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 95502666 CXGVCZWCAWJSAK-KRWDZBQOSA-N 332.875 4.512 0 50 EJAA C[C@@H](C(=O)Nc1ccccc1F)c1cccc(C(=O)c2ccccc2)c1 134536977 RMOSGEQHUBQJFB-OAHLLOKOSA-N 347.389 4.799 0 50 EJAA Cc1cnc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)o1 184954485 QANQDPGWTDICNN-LLVKDONJSA-N 347.871 4.919 0 50 EJAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCC[C@H]1c1ccccc1 216398759 AGDWITGKGIFECJ-JKSUJKDBSA-N 327.449 4.577 0 50 EJAA COc1cccc(CO[C@@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c1 221673391 TUBWQLBEFSFOMZ-BDQAWRDZSA-N 336.884 4.783 0 50 EJAA CC(C)(C)CC(=O)N1CCC(Nc2ccc(C3CC3)c(F)c2)CC1 252482138 CZNIINVYSKJTCR-UHFFFAOYSA-N 332.463 4.542 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 374347366 CYMBSKSYZAZKGB-QZTJIDSGSA-N 349.434 4.713 0 50 EJAA Cc1ccc(-c2ccc(C(=O)N[C@@H](C)Cc3ccncc3)c(F)c2)cc1 487895283 ZAVDZZKFIGHQLV-INIZCTEOSA-N 348.421 4.557 0 50 EJAA Cc1cccc(-c2c[nH]nc2[C@H]2CCCN(C[C@@H]3CC=CCC3)C2)c1 825224807 YRRPHZLSHVEERK-QUCCMNQESA-N 335.495 4.921 0 50 EJAA O[C@H](COC[C@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21 36216 JCAQBGZQFFLPRA-ROUUACIJSA-N 335.447 4.528 0 50 EJAA COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)S2)cc1 225223 ICRGSDQNZOTTTN-RTBURBONSA-N 328.433 4.582 0 50 EJAA COC(=O)c1ccc(CSc2ccc(Br)cc2)cc1 608926 HORBEFSNODEUME-UHFFFAOYSA-N 337.238 4.528 0 50 EJAA Cc1ccccc1OCCCC(=O)Nc1cccc(C(F)(F)F)c1 1772536 UBAGYMAVAWBGSM-UHFFFAOYSA-N 337.341 4.812 0 50 EJAA Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N)cc3)n2)cc1 4005903 ZTLKRDXZTBITGV-UHFFFAOYSA-N 338.414 4.642 0 50 EJAA C[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1Cl 6731624 RDJKHPVGIAOGJF-VIFPVBQESA-N 331.641 4.509 0 50 EJAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c(Cl)cccc12 12651491 RSCHIOALEJELFW-UHFFFAOYSA-N 339.778 4.517 0 50 EJAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@H]1c1ccccc1F 21525418 XGGQEOGYBVRQEJ-HNNXBMFYSA-N 342.395 4.520 0 50 EJAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(F)(F)CC1 67868459 IADQHRLYTCJJPT-UHFFFAOYSA-N 326.774 4.535 0 50 EJAA COCCC[C@@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl 95518515 QMBBXEIMMKKYQW-ZDUSSCGKSA-N 342.842 4.601 0 50 EJAA CCCCOc1cc(F)ccc1-c1c[nH]c(C(=O)N2CCCCC2)c1 426434850 NKLWQQDWXRVFNM-UHFFFAOYSA-N 344.430 4.626 0 50 EJAA Cc1ccc2cc(C(=O)N[C@H]3CC[C@H](Oc4ccccc4)CC3)oc2c1 1875305331 QVMNEQALUCAVPM-UAPYVXQJSA-N 349.430 4.861 0 50 EJAA Oc1ccc2c(c1)CC[C@H](NCc1cnc(C3CCCCC3)s1)C2 2325749422 MJSFBOUMKAXHCQ-KRWDZBQOSA-N 342.508 4.544 0 50 EJAA CCC(=O)Nc1cc(C(=O)O)ccc1Sc1ccc(Cl)cc1 257691 GMIMNABWYADSNC-UHFFFAOYSA-N 335.812 4.538 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 282046 SJHXRMMNQDOTMJ-RYUDHWBXSA-N 338.234 4.638 0 50 EJAA CCc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 446375 BPDBFCSMKSAANN-UHFFFAOYSA-N 332.241 4.696 0 50 EJAA O=C(CSc1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 609233 DWTJWUQFJKFECU-UHFFFAOYSA-N 346.411 4.865 0 50 EJAA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N2CCCCC2)c1 1191984 FVKBUYQQOHDPOX-NRFANRHFSA-N 333.475 4.622 0 50 EJAA Cc1cccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c1 1773816 PCBQOJYMYHGHQU-UHFFFAOYSA-N 337.341 4.812 0 50 EJAA CCc1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1 4708770 RMRMXFYOHSUPPH-UHFFFAOYSA-N 339.464 4.618 0 50 EJAA Cc1nc(Nc2ccc(Cl)cc2Cl)[nH]c(=O)c1CCC(C)C 9360656 YJZJCZOJUIQWLR-UHFFFAOYSA-N 340.254 4.717 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C 1875346023 QDIYUXHQGXBFTN-UHFFFAOYSA-N 325.433 4.566 0 50 EJAA Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1 84512 DZVFMKYWLTVCQC-UHFFFAOYSA-N 349.818 4.540 0 50 EJAA Cc1ccc(C(C)(C)C)c(OCC(=O)N2CCCc3ccccc32)c1 132457 CAPRVTRAVLNMDA-UHFFFAOYSA-N 337.463 4.651 0 50 EJAA Cc1ccc(C)c(-c2nc(-c3ccc(Br)cc3)no2)c1 514704 RFMQHLVWNOSIIK-UHFFFAOYSA-N 329.197 4.783 0 50 EJAA Cc1nnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)s1 613348 WWMREYBBOPPMRF-UHFFFAOYSA-N 342.445 4.614 0 50 EJAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 614929 ATGUXWDDEOVBPU-UHFFFAOYSA-N 338.451 4.930 0 50 EJAA COc1ccccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 1011743 KDPUCURFWSHVBV-DHDCSXOGSA-N 345.807 4.590 0 50 EJAA CCc1c(C)sc(NC(=O)C2CCCCC2)c1C(=O)OC(C)C 1217422 BSZYHIBUSOIXKZ-UHFFFAOYSA-N 337.485 4.703 0 50 EJAA Fc1cccc(-c2noc(C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 109605360 DPNJAHWVFGLGFH-AWEZNQCLSA-N 336.288 4.764 0 50 EJAA CCc1cccc(Cl)c1CNc1nnc(Cc2ccsc2)o1 170608160 DTFUAMKYFDWQNG-UHFFFAOYSA-N 333.844 4.550 0 50 EJAA O=C(OCCCc1ccncc1)c1cc2c(Cl)cccc2s1 863949589 SSHAUOKSBGUEML-UHFFFAOYSA-N 331.824 4.739 0 50 EJAA Cc1cc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl 1309062152 NGAMYLYOTGGMHG-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 261258 ULHXHRCKAFMMRL-FZMZJTMJSA-N 348.229 4.677 0 50 EJAA O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)C1CCCCC1 290806 UXMBRQOBONMJIC-UHFFFAOYSA-N 328.456 4.724 0 50 EJAA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)NCc2ccco2)c1 335432 NRWGATJXNCKLQX-OAQYLSRUSA-N 345.442 4.519 0 50 EJAA CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2cccc(OC)c2OC)cc1 372361 YSUCHCHXVZIELC-LSDHHAIUSA-N 341.451 4.708 0 50 EJAA COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2 476984 FPZDDVJEOHDUAH-UHFFFAOYSA-N 349.477 4.508 0 50 EJAA CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 4082710 DPNOTBLPQOITGU-LDDQNKHRSA-N 338.488 4.504 0 50 EJAA biogenic,in-vitro CC(C)(C)SCCCC(=O)Nc1nnc(-c2ccsc2)s1 156484410 NEXZBAXRIYWKEF-UHFFFAOYSA-N 341.527 4.517 0 50 EJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2Sc1ccc(Cl)cc1 253387534 MXEIBCYOSABGBK-IEBWSBKVSA-N 344.911 4.963 0 50 EJAA Cc1nc(N[C@@H](C)c2cncs2)c2c3c(sc2n1)CCCC3 439138898 WKRUJRAEFZFBRO-VIFPVBQESA-N 330.482 4.508 0 50 EJAA O=C([C@@H]1CCCC12CC2)N1CCC(c2cccc3cnccc23)CC1 1875268648 YBNAJUCEINUHOU-FQEVSTJZSA-N 334.463 4.521 0 50 EJAA Cc1ccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)cc1 91987 ZIWHGJKXJGZRHK-UHFFFAOYSA-N 328.799 4.894 0 50 EJAA O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Cl)cc1F 461691 JYZKQFGBVQRMTB-FNORWQNLSA-N 328.145 4.924 0 50 EJAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)cc1C 462035 SZYHEISUPZRUGS-FQEVSTJZSA-N 334.371 4.677 0 50 EJAA CC(=O)Nc1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1 2887053 XKWQKPLEPGMAPG-UHFFFAOYSA-N 346.386 4.982 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 2956200 VYVKMTWYTPAHSD-SFHVURJKSA-N 345.442 4.918 0 50 EJAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 2979414 MKLJXAUPXGOIAA-UHFFFAOYSA-N 340.492 4.773 0 50 EJAA CCc1nn2c(NCc3ccccc3)cc(C)nc2c1-c1ccccc1 7636232 GMZWQQJTUMCGNC-UHFFFAOYSA-N 342.446 4.879 0 50 EJAA O=C(c1cccc2ccccc12)N1CCC[C@H](Nc2ccccc2)C1 11667574 QFZRDMVHGXKJNE-IBGZPJMESA-N 330.431 4.557 0 50 EJAA Cc1ccc(NC(=O)NCc2ccc(Cl)c(Cl)c2)cc1F 13320187 GVVKODDXAVIXEN-UHFFFAOYSA-N 327.186 4.763 0 50 EJAA Cc1cc(C)c(NC(=O)c2sc(-c3cccnc3)nc2C)c(C)c1 16624408 YJXQHKSPCLKCAH-UHFFFAOYSA-N 337.448 4.691 0 50 EJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccs3)C2)c1 20994050 MAXRNHLTNKYPNK-HNNXBMFYSA-N 341.455 4.657 0 50 EJAA c1ccc(-c2ncn(Cc3cccc(-n4cccn4)c3)c2C2CC2)cc1 65394368 XEDUJPFZOFQZNA-UHFFFAOYSA-N 340.430 4.662 0 50 EJAA O[C@H](Cn1cnc(-c2ccccc2)c1-c1ccco1)c1ccccc1 65396088 POHZBYXPJBYCSE-GOSISDBHSA-N 330.387 4.544 0 50 EJAA Cc1cc(C[C@@H](C)n2cnc(-c3ccccc3)c2-c2ccco2)[nH]n1 65494793 JFPJHFWQNSQXIR-OAHLLOKOSA-N 332.407 4.645 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2nnsc2c1 72316821 NUUSUAWULNXMGF-UHFFFAOYSA-N 339.207 4.642 0 50 EJAA Cc1nc(C(=O)Nc2ccc(Cl)nc2)c(-c2ccc(F)cc2)s1 888103985 QWEAWMVRKAOJFD-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA Cn1c([C@@H]2CCCN2c2ncc(Cl)cc2Cl)nc2ccccc21 1875306659 BNETVUGYOZHJFW-HNNXBMFYSA-N 347.249 4.617 0 50 EJAA Cc1cc(C)cc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1 1875357880 AITNALCJDHRSIE-UHFFFAOYSA-N 345.851 4.911 0 50 EJAA C[C@@H](NCCn1ncc2ccccc21)c1ccc(Cl)c(Cl)c1 2325869959 DDZYGFNITLXZQJ-GFCCVEGCSA-N 334.250 4.694 0 50 EJAA COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 432115 AEPJJSIKAPYQBL-PMACEKPBSA-N 336.431 4.811 0 50 EJAA CCOc1ccc2cc([C@@H](NC(N)=O)C3CCCCC3)ccc2c1 532506 CFEIUVPFPXEVTR-IBGZPJMESA-N 326.440 4.528 0 50 EJAA CCN(CC)c1ccc(NC(=O)COc2ccccc2Cl)c(C)c1 587102 GUIONTRGZYMRHI-UHFFFAOYSA-N 346.858 4.512 0 50 EJAA CC(C)(C)OC(=O)N1CCC(c2cccc(Br)c2)CC1 2527473 SDAPURUFUOOCTE-UHFFFAOYSA-N 340.261 4.564 0 50 EJAA CCc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)on1 64985063 WLQONRBIHXTMRP-OAHLLOKOSA-N 333.819 4.568 0 50 EJAA N#Cc1c[nH]c2ccc(-c3ccc(-c4c(O)cccc4O)cc3)cc12 142084656 IGSYZPLXAFVMKY-UHFFFAOYSA-N 326.355 4.785 0 50 EJAA COc1c(F)cccc1CN1CCCC[C@@H]1CCc1cccc(O)c1 216462617 OMZOXTMKSWAMNR-GOSISDBHSA-N 343.442 4.527 0 50 EJAA CCC1(C(=O)NCc2ccc(-c3cnco3)cc2)CCC(F)(F)CC1 898063797 LWZCBRLURGTALL-UHFFFAOYSA-N 348.393 4.564 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1Br 310852 APHBWAPTJIHGQU-UHFFFAOYSA-N 348.240 4.717 0 50 EJAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Cl)cc1 570055 ALSNNPHTJBVYIW-UHFFFAOYSA-N 335.234 4.846 0 50 EJAA O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(C(F)(F)F)c1 611740 LNTNWWHGEMJRFD-UHFFFAOYSA-N 346.255 4.951 0 50 EJAA COc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 36620370 NDOAXRPJGVRFOS-MRXNPFEDSA-N 330.815 4.718 0 50 EJAA CC(C)c1ccc(-c2cc([C@H]3CCN(Cc4ncc[nH]4)C3)ccn2)cc1 65429842 PUQAPAPDTOLPHA-FQEVSTJZSA-N 346.478 4.585 0 50 EJAA O=C(Nc1cccc(NC2CCCC2)c1)c1coc(C2CCC2)n1 193218619 HBJBEYAMVIPZGP-UHFFFAOYSA-N 325.412 4.549 0 50 EJAA O=C(c1ccco1)N1N=C(c2ccc(Cl)o2)C[C@H]1c1cccs1 225498803 AOKRDJNCUXYOFJ-NSHDSACASA-N 346.795 4.579 0 50 EJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1 252536635 JAMIYKSFRNWANZ-INIZCTEOSA-N 335.451 4.769 0 50 EJAA CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)nc1 746197780 JNUYSAAHBLNKGD-UHFFFAOYSA-N 344.629 4.706 0 50 EJAA CC(C)(C)C[C@H](NCc1cccc(Cn2cccn2)c1)c1cccnc1 952991882 WVNDUCSZTSMVTK-NRFANRHFSA-N 348.494 4.594 0 50 EJAA Fc1ccc(-c2ccc(CN3CCc4ccc(F)cc4C3)o2)cc1 1180296109 DTJHJKSYQFVPOJ-UHFFFAOYSA-N 325.358 4.783 0 50 EJAA Cc1nc2ccccc2cc1NCc1ccc(Oc2cnccn2)cc1 2325700132 VXCQOMYDHWVMMQ-UHFFFAOYSA-N 342.402 4.738 0 50 EJAA Cc1ccc(C)c(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 90367 ZULSDZCQFSVQKE-MRXNPFEDSA-N 348.450 4.581 0 50 EJAA Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 366309 OYLJOPNFRSOQHR-JTQLQIEISA-N 342.197 4.847 0 50 EJAA Cc1ccc(O)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 1170359 JPEIVBIDGZAAMM-UHFFFAOYSA-N 339.435 4.766 0 50 EJAA Cc1ccc(CSCCNC(=O)CCSc2ccccc2)cc1 2981877 GEBHFAAXBXOTSH-UHFFFAOYSA-N 345.533 4.527 0 50 EJAA O=C(/C=C/c1ccc(F)cc1)NCCSCc1ccccc1Cl 2985514 JAWJUCUGIDVIIY-JXMROGBWSA-N 349.858 4.542 0 50 EJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC2CCCCC2)c1 10287843 ALPVUOBAEHKUOA-UHFFFAOYSA-N 337.851 4.533 0 50 EJAA C[C@@H]1CCCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)C1 13497293 FXLMJOJNRSLCFI-OAHLLOKOSA-N 325.481 4.859 0 50 EJAA CCOc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1 13931260 KEWZZRYBIXESEV-HNNXBMFYSA-N 328.481 4.750 0 50 EJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1 25586538 NUTTVNZGHVOMQV-XUFGXFBWSA-N 340.426 4.622 0 50 EJAA Clc1ccc(I)c(OCc2ccccc2)c1 97756655 ROEQSAGFZUFAKV-UHFFFAOYSA-N 344.579 4.524 0 50 EJAA C[C@@H]1CC(C)(C)c2cccc(NC(=O)N3CCC[C@@H]3c3ccon3)c21 1875406201 ZIEWQULSAHMEBH-CXAGYDPISA-N 339.439 4.828 0 50 EJAA CC[C@H](NC(=O)/C=C/c1cccc(Br)c1)c1ccccc1 234837 KAGUXXOCVZACDL-FLVLSHQESA-N 344.252 4.730 0 50 EJAA COc1cc(C)c(CN2CCC3(C=Cc4ccccc43)CC2)cc1C 2498140 OOSNRFQAVTXORB-UHFFFAOYSA-N 333.475 4.873 0 50 EJAA CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(Cl)c2)C1 2558443 JPMAGPPPDRBEJL-JTQLQIEISA-N 334.872 4.751 0 50 EJAA CCOc1cc(C=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 2877562 XNZVBGVDTXIRJE-MRXNPFEDSA-N 342.435 4.869 0 50 EJAA Cc1cccn2cc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc12 4247959 IHLRULTWWRKLMX-UHFFFAOYSA-N 345.377 4.701 0 50 EJAA Cc1ccc([C@@H]2C[C@@H]2c2nnc(S)n2-c2cccc(Cl)c2)cc1 6533829 XOELQQAHXNBRBG-HOTGVXAUSA-N 341.867 4.789 0 50 EJAA FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3cccnc3)C2)c1 71746815 GPLUJSANTXLWRY-KRWDZBQOSA-N 348.412 4.945 0 50 EJAA COc1cccc([C@@H]2CCN2C(=O)c2oc3cc(C)ccc3c2C)c1 91519340 FEYPVLFWPFJFPC-SFHVURJKSA-N 335.403 4.645 0 50 EJAA Fc1cnc(Cl)nc1Nc1ccc(Cl)c(C(F)(F)F)c1 114323290 IZOZKVHSYJQORQ-UHFFFAOYSA-N 326.080 4.685 0 50 EJAA CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1Cl 263624047 MYROPHGDIQNAOT-UHFFFAOYSA-N 329.705 4.598 0 50 EJAA C[C@H](NCCc1cccc(C(F)(F)F)n1)c1ccc2ncccc2c1 2325773871 QAFZDDJYYCLBEN-ZDUSSCGKSA-N 345.368 4.542 0 50 EJAA Clc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 112190 LJVKVWCPLOICDK-OAHLLOKOSA-N 339.826 4.541 0 50 EJAA CCOc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 114143 IJRAECOGSBNVOX-UHFFFAOYSA-N 341.461 4.864 0 50 EJAA Cc1ccc(-n2cnc3cc(NC(=O)c4ccccc4)ccc32)cc1 188679 DNHCFKBQOGWKRN-UHFFFAOYSA-N 327.387 4.586 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)Oc1cccc2cccnc12 617686 AXYPIUHKUONXRK-UHFFFAOYSA-N 348.185 4.526 0 50 EJAA Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1cc(Br)ccc1F 1067782 DYAYLAGCBWCTDX-ZDUSSCGKSA-N 348.215 4.679 0 50 EJAA O=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@H]1c1ccccc1 1234719 KHDFIBIXXCAAKP-SFTDATJTSA-N 327.427 4.696 0 50 EJAA Oc1csc(Cc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 1395295 PQSRFLUJPLJNLS-UHFFFAOYSA-N 343.260 4.870 0 50 EJAA Fc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 2713425 NULANNANLDHTDB-UHFFFAOYSA-N 332.378 4.803 0 50 EJAA CCCOc1cc(OCCC)cc(C(=O)Nc2ccc(C)cc2)c1 2980792 MBYVUFKRAQJYHS-UHFFFAOYSA-N 327.424 4.825 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 2997783 GDLBLZNKIKYKLQ-UHFFFAOYSA-N 348.240 4.799 0 50 EJAA Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccs3)C2)cc1 43103358 IBLUXRRYMPKSIU-OAHLLOKOSA-N 341.455 4.657 0 50 EJAA C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C(F)F)nc1 850452639 PAUFIXGXDDHEFH-CXAGYDPISA-N 348.393 4.750 0 50 EJAA COc1cccc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)nc12 1772709801 QMPQUQAYBIWJME-UHFFFAOYSA-N 335.281 4.515 0 50 EJAA CCC(NC(=O)O[C@@H]1CCCC[C@H]1C)(C(F)(F)F)C(F)(F)F 66485 YAYJXPWJMARMIR-RKDXNWHRSA-N 335.288 4.565 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 190195 UZGJKBHLERIDTJ-UHFFFAOYSA-N 327.387 4.791 0 50 EJAA Cc1cc(C)c2c(N)c(C(=O)Nc3ccc4ccccc4c3)sc2n1 458604 DCPXSSXKGOUUJB-UHFFFAOYSA-N 347.443 4.901 0 50 EJAA Clc1ccc(Cl)c(-c2nn3c(-c4ccccc4)nnc3s2)c1 613483 WJJSYHJXCHLNGZ-UHFFFAOYSA-N 347.230 4.827 0 50 EJAA O=C(C(c1ccccc1)c1ccccc1)N1CCCc2ccccc21 1030453 CHXXNDHWMQOOFN-UHFFFAOYSA-N 327.427 4.798 0 50 EJAA CCCCOC(=O)c1ccc(OC(=O)Nc2cc(C)ccc2C)cc1 2173675 RHTNRZULAFBZSB-UHFFFAOYSA-N 341.407 4.871 0 50 EJAA CCCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OCC 2877744 TUVSILCNKGKAGQ-UHFFFAOYSA-N 327.424 4.825 0 50 EJAA Cc1c(C)c2ccc(OCc3ccccc3Cl)c(C)c2oc1=O 4724850 OEJPSJJWOVHCED-UHFFFAOYSA-N 328.795 4.951 0 50 EJAA COc1ccc(Cl)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 5064698 OUDLOMDTJNHNBN-UHFFFAOYSA-N 333.859 4.894 0 50 EJAA CCCNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 7636204 XLLVREXXJGIWHY-UHFFFAOYSA-N 334.345 4.545 0 50 EJAA COc1ccc(C[C@@H](C)NC2c3ccccc3-c3ccccc32)cc1 23280847 TUGATIDIHNIJBE-MRXNPFEDSA-N 329.443 4.986 0 50 EJAA Cc1cccc(-c2c(-c3ccccc3)ncn2CCc2cn[nH]c2)c1C 67446861 JGTNEIJATSAKHD-UHFFFAOYSA-N 342.446 4.800 0 50 EJAA Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ccccn3)c(C)c2c1 91593441 NGTVAOYATWWZBZ-IBGZPJMESA-N 333.435 4.547 0 50 EJAA CC1(C)C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)O 257358833 WSGNVOUHNLZNHQ-GCMNKYKISA-N 330.512 4.905 0 50 EJAA CCCCN(Cc1ccco1)C(=O)c1cc(C)nc2cc(F)ccc12 952964777 BRJOFAVWFOHEMR-UHFFFAOYSA-N 340.398 4.718 0 50 EJAA O=C(Nc1cccc2c1CCCC2)c1ccc(Br)cc1 210100 CPYRFFODLIAVTL-UHFFFAOYSA-N 330.225 4.580 0 50 EJAA CC(CCc1ccccn1)(CCc1ccccn1)C(=O)c1ccccc1 395019 SETYDCSRABYHSW-UHFFFAOYSA-N 344.458 4.931 0 50 EJAA in-vitro CCCc1n[nH]c(SCc2cccc(Oc3ccccc3)c2)n1 3905006 MWFORWRRQCOLCY-UHFFFAOYSA-N 325.437 4.842 0 50 EJAA Cc1nc2c(-c3ccccc3)cnn2c(NCCc2ccccc2)c1C 5325172 RLQJZDKBVBFBRL-UHFFFAOYSA-N 342.446 4.668 0 50 EJAA Fc1cccc(-c2cn[nH]c2C2CCN(CCc3ccccc3)CC2)c1 11789519 HVRMITWRRAIONW-UHFFFAOYSA-N 349.453 4.638 0 50 EJAA Cc1ccccc1-c1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 44126766 YVDMKKLMVYSEIN-MRXNPFEDSA-N 338.451 4.781 0 50 EJAA Cc1ccc2cc(C(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)[nH]c2c1 170634441 DGNZUULCKOTSNO-FUHWJXTLSA-N 332.447 4.803 0 50 EJAA Cc1cc(C)cc(N(C)C(=O)c2cc(-c3ccccc3)c(C)nc2O)c1 253536898 NANAOELODUMLTG-UHFFFAOYSA-N 346.430 4.656 0 50 EJAA Cc1nc2ccc(C(=O)N[C@@H](CC(C)C)c3cccnc3)cc2s1 670474086 GVTLGQPDDVTANS-KRWDZBQOSA-N 339.464 4.517 0 50 EJAA O=C(CCc1cncs1)Nc1cccc(-c2c(F)cccc2F)c1 2325712553 GVSICSQZQXEJFZ-UHFFFAOYSA-N 344.386 4.660 0 50 EJAA Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl 150816 WVEAECCTPHJIKY-LSDHHAIUSA-N 331.843 4.602 0 50 EJAA Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 450837 ZHHUSJYPODTCQF-UHFFFAOYSA-N 349.352 4.924 0 50 EJAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(F)c1 451019 ZXJMMWRIJMLNSV-UHFFFAOYSA-N 332.787 4.855 0 50 EJAA Cc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1C 612618 SORYSVWDJVTNOP-UHFFFAOYSA-N 338.520 4.955 0 50 EJAA CCOc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 1059968 HHVTVKLDUUWTRA-UHFFFAOYSA-N 331.415 4.605 0 50 EJAA C[C@H](CCc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1178357 BYJOSKJCYBWBJF-LJQANCHMSA-N 343.470 4.956 0 50 EJAA CCCOc1cccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)c1 2103492 FWIVBXHTSWUOPM-UHFFFAOYSA-N 348.446 4.829 0 50 EJAA COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl 3615660 KNRYIUOTBLWJRQ-UHFFFAOYSA-N 342.782 4.564 0 50 EJAA CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1ccc(Cl)cc1 13329021 SUZOCIQHHVSJSP-HNNXBMFYSA-N 332.831 4.930 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c(C)c1 72437642 BHRTURCBSIRYKR-UHFFFAOYSA-N 348.406 4.838 0 50 EJAA C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1 153884021 NZRSXERJELVYRD-LRDDRELGSA-N 349.356 4.715 0 50 EJAA Clc1ccc2oc(-c3ccccc3)cc(=Nc3nncs3)c2c1 238950793 ZNIADVBSRUNWHF-UHFFFAOYSA-N 339.807 4.837 0 50 EJAA CC(C)[C@]1(O)[C@@H](C)[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 239402510 QTCCWCRPTWVSSV-NQDIBGKZSA-N 337.507 5.074 0 50 EJAA CCC(=O)c1cccc(-c2ccc(C(=O)N3CCC[C@H]3CC)cc2)c1 426387154 VVHVSHBJEZTWNW-HXUWFJFHSA-N 335.447 4.961 0 50 EJAA c1ccc(-c2cncnc2Oc2cccc(Oc3cnccn3)c2)cc1 480580825 RCGMAYXGKPZWMY-UHFFFAOYSA-N 342.358 4.518 0 50 EJAA COc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1 198965 JEAPDUIQVDFIQE-UHFFFAOYSA-N 333.800 4.602 0 50 EJAA Brc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 277714 YNDFRJCTJSDIIZ-UHFFFAOYSA-N 347.237 4.791 0 50 EJAA Cc1cc(Br)ccc1NC(=O)C[C@H](C)c1ccccc1 302929 DQFGBZSOBZBSAE-LBPRGKRZSA-N 332.241 4.890 0 50 EJAA Cc1cc2nc(-c3ccc(NC(=O)c4ccco4)cc3O)oc2cc1C 1206897 PQAAKYGWTWSOCR-UHFFFAOYSA-N 348.358 4.663 0 50 EJAA CCOc1cc(CNCc2ccccc2)ccc1OC1CCCC1 2884177 WHFZIDDHKSBPSC-UHFFFAOYSA-N 325.452 4.697 0 50 EJAA O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1c1ccccc1 4800605 GZFUVVNXJDDLBT-ZGJBTBESSA-N 326.395 4.762 0 50 EJAA CCOc1ccc(C2=C(C)SC3=NNC(c4ccccc4)=CN32)cc1 5718698 BJLBNTBOXBBEKK-UHFFFAOYSA-N 349.459 4.695 0 50 EJAA C[C@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1 6665014 WROIWPZRFNQFBL-GOSISDBHSA-N 349.478 4.662 0 50 EJAA O=C(Nc1nc2c(s1)CCCCCC2)Nc1ccc(F)cc1F 8609755 FMHWPZSXWLJDAQ-UHFFFAOYSA-N 337.395 4.724 0 50 EJAA CC(C)Cn1cncc1CN1CCC[C@@H](CCc2ccc(F)cc2)C1 72153974 GAHAWWPHPAPNQE-IBGZPJMESA-N 343.490 4.523 0 50 EJAA CC[C@@H]1CCCCN1C(=O)c1ccnc(N2c3ccccc3C[C@@H]2C)c1 240770084 AVJMTTRNABMBFS-QFBILLFUSA-N 349.478 4.569 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257345971 NTPXXNCDCQTPIF-XJUMGLGQSA-N 332.484 4.530 0 50 EJAA COc1ccc(OC)c2c(C)cc(N[C@@H]3CCC[C@@H](C)[C@H]3C)nc12 824645587 YFSFCGCONKORMP-BPLDGKMQSA-N 328.456 4.797 0 50 EJAA CCOC(=O)c1c(-c2ccccc2)csc1-n1c(C)ccc1C 260271 IKVPDFICNKIYLP-UHFFFAOYSA-N 325.433 4.999 0 50 EJAA Clc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 341211 CAOVZBCCDYEKCE-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA in-vitro Cc1c(Br)ccc(NC(=O)[C@@H](C)c2ccccc2)c1C 475409 LKYVIBLRLOKCBO-ZDUSSCGKSA-N 332.241 4.808 0 50 EJAA COc1ccccc1OCCCOc1cccc(Cl)c1Cl 2904297 RGXKMTVADBTQKW-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA Brc1cccc(CN2CCCC[C@H]2c2cccnc2)c1 4982739 GIAKXJVBIUBBGV-KRWDZBQOSA-N 331.257 4.571 0 50 EJAA O=C(CSc1ccc(Cl)cc1)Nc1cccc2ncccc12 5027982 TZDVAKSXDIXMLJ-UHFFFAOYSA-N 328.824 4.619 0 50 EJAA Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(C)o1 6994139 PUDUTVZLUBVQEA-UHFFFAOYSA-N 330.384 4.720 0 50 EJAA CCCCc1ccc(NC(=S)NCc2cccc(OC)c2)cc1 13497598 PVRMECHXTNURKJ-UHFFFAOYSA-N 328.481 4.524 0 50 EJAA COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1ccc(F)cc1 15023638 YCLLGORVUPSCES-XERREHJYSA-N 342.410 4.989 0 50 EJAA Cc1nc(-c2cc(C(=O)N3CCc4c(Cl)cccc43)co2)cs1 157623777 BMEWOFFGFPHFSA-UHFFFAOYSA-N 344.823 4.568 0 50 EJAA COc1ccc2c(c1)CCc1cc(C(=O)N(C(C)C)C3CC3)sc1-2 1875255227 FKIQREFTGRGWAB-UHFFFAOYSA-N 341.476 4.535 0 50 EJAA O=C(Oc1ccc(Nc2ncnc3ccccc23)cc1)C1CCCCC1 132694 KGYDEWBDLNZQHW-UHFFFAOYSA-N 347.418 4.859 0 50 EJAA COc1ccc(OC)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 610162 HADQQBSUEHKDAY-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA CC(C)(C)C(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12 614803 FYGWDWRCQLSCLD-UHFFFAOYSA-N 334.419 4.509 0 50 EJAA CC(C)CN(CC(C)C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 1049270 XZHPWAMTYYUSDX-UHFFFAOYSA-N 325.880 4.638 0 50 EJAA CCCC[C@H](CC)CNC(=O)COc1cc(C)c(Cl)c(C)c1 1750497 AOSOOJVADHHKEY-HNNXBMFYSA-N 325.880 4.668 0 50 EJAA COc1ccc(CCCC(=O)Nc2cccc(SC)c2)c(C)c1 3002744 DWYXZROQCQHKRK-UHFFFAOYSA-N 329.465 4.687 0 50 EJAA CCc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 13746033 ZBSNAAASKGKMGH-GFCCVEGCSA-N 347.256 4.894 0 50 EJAA CCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 14722889 IQSYWEWTWDEVNO-ZIAGYGMSSA-N 330.424 4.654 0 50 EJAA biogenic,in-vitro Cc1cccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)c1 15839747 LUMDLOFWGSADQA-NRFANRHFSA-N 330.431 4.526 0 50 EJAA O=C(Nc1ccccc1F)N1CCCC[C@H]1CCc1cccc(O)c1 72121897 NKEZDUXHPKGVMO-INIZCTEOSA-N 342.414 4.551 0 50 EJAA CCCCc1csc(C(=O)Nc2cnccc2-c2ccccc2)n1 2325745665 QEWPWCMCHQJMKV-UHFFFAOYSA-N 337.448 4.800 0 50 EJAA CC[C@@H]1c2ccccc2CN1C(=O)[C@@]1(c2ccccc2)CCCCO1 2325828824 SARAYFOKDDLXMK-IRLDBZIGSA-N 335.447 4.576 0 50 EJAA O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2Cl)s1 134173 FZFLCOKJOXBKQN-BQYQJAHWSA-N 344.823 4.632 0 50 EJAA Clc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 344973 JIRNCACWBADCFA-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 438360 JNTUIIWGUNMKDB-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA COc1ccc(CNCC[C@@H](Cc2ccccc2)c2ccco2)cc1 2154698 MCKSLWVUZLNLJF-FQEVSTJZSA-N 335.447 4.794 0 50 EJAA biogenic Cc1ccc([C@H](C)CCN2CCN(c3cccc(Cl)c3)CC2)o1 5031930 SALXXAYWFIHUAL-OAHLLOKOSA-N 332.875 4.557 0 50 EJAA Cc1ccc([C@H]2C[C@H]2c2nnc(S)n2-c2cccc(Cl)c2)cc1 6533850 XOELQQAHXNBRBG-HZPDHXFCSA-N 341.867 4.789 0 50 EJAA COC(=O)c1c(NC(=S)Nc2ccc(C)c(C)c2)sc(C)c1C 7560706 HWSCRCANKPGTIZ-UHFFFAOYSA-N 348.493 4.577 0 50 EJAA c1ccc(COc2ccc(CNc3ccc4c(c3)OCO4)cc2)cc1 16663154 CQDJPTPDTQNANH-UHFFFAOYSA-N 333.387 4.606 0 50 EJAA C(=C/c1ccccc1)\CN1CCN(Cc2ccc3ccccc3c2)CC1 19536879 NJIYUFSFOSQQRR-RMKNXTFCSA-N 342.486 4.671 0 50 EJAA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)CCC3 94982 GFHPLRXJCHBZRY-AWEZNQCLSA-N 331.337 4.668 0 50 EJAA COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C 189955 BKZCTYKIGSVIDR-UHFFFAOYSA-N 334.293 4.796 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccccc21 304207 YAQOJQMJIBNWFM-UHFFFAOYSA-N 338.794 4.506 0 50 EJAA COc1cccc(NC(=O)C[C@H](c2ccccc2)c2ccccc2O)c1 315730 FEFPBDOSNCGBFO-HXUWFJFHSA-N 347.414 4.562 0 50 EJAA CC(C)(C)OC(=O)N[C@H]1c2ccccc2CSc2ccccc21 347589 HBNAKKJUJYEGMD-KRWDZBQOSA-N 327.449 4.906 0 50 EJAA COc1ccc(NCCC(=O)c2ccc3ccccc3c2)c(OC)c1 403770 SUGLYXWDCDKFBD-UHFFFAOYSA-N 335.403 4.542 0 50 EJAA O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1 440132 AZEQGEPXRAXSPR-UHFFFAOYSA-N 330.693 4.883 0 50 EJAA CCc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 482473 UCBDXGZQPGTOPU-UHFFFAOYSA-N 337.202 4.596 0 50 EJAA CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 4488840 BKALWLMDIRFKGH-SFHVURJKSA-N 347.414 4.721 0 50 EJAA CC[C@H](C)Nc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 7636189 CWCMZOFKEPVIHM-NSHDSACASA-N 328.847 4.877 0 50 EJAA Cc1sc(NC(=O)Cc2cccs2)nc1-c1ccc(F)cc1 7967302 OPUYTHHDDJQJAO-UHFFFAOYSA-N 332.425 4.500 0 50 EJAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 12001392 VDAPBQZURYOZHE-AWEZNQCLSA-N 349.808 4.713 0 50 EJAA COc1cccc([C@H]2CCN2C(=O)c2oc3cc(C)ccc3c2C)c1 91519339 FEYPVLFWPFJFPC-GOSISDBHSA-N 335.403 4.645 0 50 EJAA CCOc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCCC[C@H]12 103907792 RLKQCEGHUWDABO-UIAACRFSSA-N 327.399 4.859 0 50 EJAA C[C@H](N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CCOCC1 467440764 XDDOZEGXAUNZAN-CQDKDKBSSA-N 328.283 4.644 0 50 EJAA Nc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2O)n1 183793 SRUBDDZSJICXOD-UHFFFAOYSA-N 339.398 4.765 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2ccc3ccccc3c2)cc1 399750 STJAJLFDTBJMDC-UHFFFAOYSA-N 335.359 4.627 0 50 EJAA Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n1 475205 QXVLZPGNIWJUPX-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA Cc1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1 2871653 ZPBGUULVWBKHPF-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA aggregator O=C(O)c1ccccc1SCCSc1nc2ccccc2s1 3207101 GMIJBNSUKIIZGG-UHFFFAOYSA-N 347.486 4.879 0 50 EJAA CCc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1 64984569 QYHAEQYQYKQDRF-QGZVFWFLSA-N 327.428 4.729 0 50 EJAA FC(F)CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67713380 IJJPVLNQPLQUNO-UHFFFAOYSA-N 340.373 4.632 0 50 EJAA FC(F)(F)c1cnc(NCc2cc(Br)cs2)s1 225631805 CQDFYBAFBIWLCF-UHFFFAOYSA-N 343.193 4.598 0 50 EJAA Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3csc(C)n3)c2C)c1 495186278 WMQHDLFTRWLJTL-ZDUSSCGKSA-N 326.469 4.736 0 50 EJAA O=C(NC1(c2ccccc2)CC(F)(F)C1)c1cc(F)cc2ccoc12 1875406017 UUCFVTQHOGUUMU-UHFFFAOYSA-N 345.320 4.626 0 50 EJAA Cc1ccccc1-c1nc2scc(-c3cccs3)c2c(=O)o1 90264 ONMPGIHOJXCUFT-UHFFFAOYSA-N 325.414 4.953 0 50 EJAA CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 129860 CNXOOQPMNGSQMH-AWEZNQCLSA-N 331.843 4.925 0 50 EJAA Cc1ccnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 337718 ZTRIVMALCWBZBC-LJQANCHMSA-N 334.444 4.862 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(C)c1 557949 DPXNINMYPIUSII-UHFFFAOYSA-N 328.843 4.809 0 50 EJAA Cc1ccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1C 1243886 RKXMCRDTQOLMIZ-UHFFFAOYSA-N 342.399 4.605 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21 2008394 YCBKSSAWEUDACY-IAGOWNOFSA-N 330.468 4.708 0 50 EJAA biogenic,world C[C@@H]1CCCN(CCOc2ccc3ccccc3c2Br)C1 4914374 AIMUFYVOHLVFCJ-CQSZACIVSA-N 348.284 4.713 0 50 EJAA Cc1csc(=S)n1OC(=O)C1=CC[C@@](C)(c2ccccc2)CC1 5748679 GIRJOERDXKYXPR-GOSISDBHSA-N 345.489 4.611 0 50 EJAA CCCCc1ccc(-n2c(S)nnc2CCc2ccccc2)cc1 6390637 KTVMPKTZLJQJNR-UHFFFAOYSA-N 337.492 4.684 0 50 EJAA Cc1cccc(-c2ccc(NC(=O)C3CCN(CC4CC4)CC3)cc2)c1 12055068 DTJNRAGEDJCXCP-UHFFFAOYSA-N 348.490 4.723 0 50 EJAA Cc1cccc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)c1 15839746 LUMDLOFWGSADQA-OAQYLSRUSA-N 330.431 4.526 0 50 EJAA COc1ccccc1[C@@H]1N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N12 19800713 ZYNSVKVRUBHSMG-GMJSYXRRSA-N 340.426 4.622 0 50 EJAA O=C1C[C@@H](C2CCN(Cc3ccccc3)CC2)Sc2ccccc21 45302651 XWMHOCDNGHEUMF-NRFANRHFSA-N 337.488 4.646 0 50 EJAA Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)c1 64984644 YPYXDRBKQXVCBE-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA CCCc1ccc2oc(C(=O)N(C)CCC[C@H]3CCCO3)c(C)c2c1 77407161 IMBXDDVSGOPCKH-KRWDZBQOSA-N 343.467 4.725 0 50 EJAA CCc1ccc(-c2ccc(C(=O)Nc3cc(CO)ccc3C)o2)cc1 156455665 JTABLFKRUVEMMW-UHFFFAOYSA-N 335.403 4.562 0 50 EJAA Cc1ccc(CN(Cc2ccncc2)C[C@@H]2CCOC(C)(C)C2)s1 244874917 XJOHMGRWZGXONG-GOSISDBHSA-N 344.524 4.659 0 50 EJAA Cc1c([C@H](NC2CCC(C(=O)O)CC2)C(C)C)oc2ccccc12 263376789 ASEPKAMMJONXGY-JTTJXQCZSA-N 329.440 4.671 0 50 EJAA CCOC(=O)c1c(Cl)nc2ccccc2c1NCc1ccccc1 299738270 PPQNKHUHEQVCOE-UHFFFAOYSA-N 340.810 4.677 0 50 EJAA CC[C@@H](C)c1nccc(Nc2ccc(Oc3ccc(C)nn3)cc2)n1 1875309414 PULUXRFNKWDPHS-CYBMUJFWSA-N 335.411 4.624 0 50 EJAA Cc1cc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)ccn1 1875328957 UYXFRSVUZIKDCA-MRXNPFEDSA-N 328.419 4.878 0 50 EJAA Fc1cccc(-c2ccc(Nc3nccc4ncccc34)nc2)c1F 2356148416 VEKMMGRQDDNZSN-UHFFFAOYSA-N 334.329 4.714 0 50 EJAA COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1OC 64794 CMHQVVGKBWFURG-UHFFFAOYSA-N 334.371 4.590 0 50 EJAA CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 71146 GWJSDXXLHCXVIL-UHFFFAOYSA-N 341.794 4.741 0 50 EJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccco1 135781 NXBBGLMSPOEUIU-UHFFFAOYSA-N 336.372 4.514 0 50 EJAA Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1 208255 FPLGZGOTHPZTET-UHFFFAOYSA-N 334.853 4.507 0 50 EJAA CCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 237379 RLAXCXJIKFKPIP-UHFFFAOYSA-N 331.415 4.856 0 50 EJAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 468685 UFUHJAURAOIODI-KKSFZXQISA-N 345.398 4.580 0 50 EJAA Cc1cc(Oc2ccccc2)nc(SCCOc2ccccc2)n1 2847054 UXSBKLYKLNGOMT-UHFFFAOYSA-N 338.432 4.748 0 50 EJAA COc1ccccc1OCCCCCCOc1ccccc1OC 2880498 WQVCHZYFLLBRRX-UHFFFAOYSA-N 330.424 4.722 0 50 EJAA Cc1ccc(-c2nc(NC(=O)CCc3ccccc3)sc2C)cc1 2895408 QQZZAMIUQXPRLD-UHFFFAOYSA-N 336.460 4.998 0 50 EJAA Clc1ccc(CSc2nnc(-c3ccco3)o2)cc1Cl 3274508 LJMZUFKPCOAXOF-UHFFFAOYSA-N 327.192 4.929 0 50 EJAA Cc1nc(SCc2csc(C)n2)c2c3c(sc2n1)CCCC3 4387890 QHQBJUAAQPHHLK-UHFFFAOYSA-N 347.534 4.936 0 50 EJAA CCCCN(C(=O)c1cccc(NC(=O)C(C)C)c1)c1ccccc1 4857532 ZUTNFDKPNKQDKN-UHFFFAOYSA-N 338.451 4.728 0 50 EJAA CC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 4866891 HDWXNRUVIJCXJR-UHFFFAOYSA-N 333.387 4.721 0 50 EJAA C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H]1CCCO1 12383293 AWBAUQCKEMTDQV-KCJUWKMLSA-N 344.263 4.505 0 50 EJAA Cc1nnc(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1 183733127 RVMDWQIFNWVPPN-QGZVFWFLSA-N 348.233 4.564 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)CO[C@H]2CCCC[C@H]2C)cc1C 252516925 XXMMUDTYLUWUJX-UXPWSPDFSA-N 329.484 4.562 0 50 EJAA Cc1ccc(-c2noc(-c3ccccc3NC(=O)C3CCC3)n2)s1 1857798495 JOZAAYATSWPNLG-UHFFFAOYSA-N 339.420 4.512 0 50 EJAA CC(C)(C)c1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1 68397 DZNYTDXGONBDMW-UHFFFAOYSA-N 343.477 4.816 0 50 EJAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCCCCC1 182543 BAEJBVMLFDYDBQ-UHFFFAOYSA-N 330.431 4.918 0 50 EJAA C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 182602 WIPLFLKYMVWDOU-OAHLLOKOSA-N 329.399 4.802 0 50 EJAA CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(F)cc1 313930 KRHHKSKIFCXGFD-UHFFFAOYSA-N 349.427 4.515 0 50 EJAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccco1 444336 LWFGRDLTULALIS-ZHACJKMWSA-N 343.386 4.783 0 50 EJAA aggregator Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 475026 LQNKCMODUIRGHU-JKSUJKDBSA-N 345.870 4.553 0 50 EJAA COc1ccc(NC(=O)Cc2ccsc2-c2ccc(C)cc2)cc1 545938 OPJQXHNPQWAHIC-UHFFFAOYSA-N 337.444 4.913 0 50 EJAA COc1ccc(C(=O)[C@@H](Nc2ccccc2)c2ccc(OC)cc2)cc1 1708058 ORTUWVAVWIPHBH-NRFANRHFSA-N 347.414 4.740 0 50 EJAA CCCOc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1831625 GMVQRRVCNWDLLT-NRFANRHFSA-N 337.463 4.538 0 50 EJAA CCCCc1ccc(-n2nc3ccc(NC(=O)CCC)cc3n2)cc1 2946674 WZKXAJFYNBDMRL-UHFFFAOYSA-N 336.439 4.502 0 50 EJAA CC(=O)Nc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1 3998707 GEXHICPGGJBXPB-UHFFFAOYSA-N 344.465 4.585 0 50 EJAA CC(C)(C)c1ccc(NC[C@](C)(O)COc2ccc(Cl)cc2)cc1 4054634 BEPCCEDJGNCXHZ-FQEVSTJZSA-N 347.886 4.879 0 50 EJAA O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F 5152347 JBVUWVCYIKGDHL-UHFFFAOYSA-N 347.340 4.551 0 50 EJAA Cc1[nH]c2c(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cccc2c1C 11666527 ACOYPMDQNLHHSR-GOSISDBHSA-N 347.462 4.501 0 50 EJAA c1ccc(CC2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 28580626 KNIATHRAUDUPBF-UHFFFAOYSA-N 329.447 4.603 0 50 EJAA Cc1ccccc1Oc1ncccc1CNc1cnc2ccccc2n1 67880002 VLQZSHHFVIAVFL-UHFFFAOYSA-N 342.402 4.738 0 50 EJAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1C[C@H]2CC[C@H]1C2 101633752 NWMIBZXECKEBCV-JKOKRWQUSA-N 332.856 4.838 0 50 EJAA Fc1ccc([C@@H]2CCN2Cc2cnc(C3CCCCC3)nc2)cc1 216272624 JTKKEJFZZGYFCN-IBGZPJMESA-N 325.431 4.610 0 50 EJAA C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(C(F)F)nc1 850452658 PAUFIXGXDDHEFH-SUMWQHHRSA-N 348.393 4.750 0 50 EJAA Cc1ccc(-c2cc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3)on2)cc1 1775975342 ACUZEQPBWILNMB-IRXDYDNUSA-N 336.366 4.531 0 50 EJAA CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CCCC1 2332237499 XYMLNBILHNUREB-UHFFFAOYSA-N 340.261 4.743 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1C 317137 ALCUCYAOBVZITR-UHFFFAOYSA-N 343.426 4.892 0 50 EJAA Cc1ccccc1NC(=O)Oc1cccc(OC(=O)c2ccccc2)c1 398390 XKXZYDFVRYKEKB-UHFFFAOYSA-N 347.370 4.825 0 50 EJAA Cc1cccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 2267916 LNNOBBMQWHEDQS-GOSISDBHSA-N 330.431 4.576 0 50 EJAA COc1ccc(OCCCOc2cccc(Cl)c2Cl)cc1 2904756 PBHXBHQDYXTMNJ-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA COc1ccc(CC[C@H](C)NCc2ccccc2C(F)(F)F)cc1 4985998 KYBHBJWRNZYZBZ-AWEZNQCLSA-N 337.385 4.825 0 50 EJAA Cc1ccc([C@@H]2C[C@H]2c2nnc(S)n2-c2cccc(Cl)c2)cc1 6533836 XOELQQAHXNBRBG-JKSUJKDBSA-N 341.867 4.789 0 50 EJAA COc1ccccc1[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 15064905 WAODTHSAZFHTQQ-QGZVFWFLSA-N 349.478 4.895 0 50 EJAA Fc1ccccc1-n1ncc2c(C(F)F)cc(-c3ccco3)nc21 20615068 LEFCCNRPILFJSX-UHFFFAOYSA-N 329.281 4.757 0 50 EJAA Clc1cccc(Cl)c1CSc1nnc(-c2ccc[nH]2)o1 32329325 MNPOBXLPCWFONX-UHFFFAOYSA-N 326.208 4.664 0 50 EJAA C[C@@H](c1cccc(-c2ccc(O)c(-c3ccno3)c2)c1)N1CCCC1 65429610 QPKMTNXKOVBWRR-HNNXBMFYSA-N 334.419 4.871 0 50 EJAA Cc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1C 169781044 GSNUIFZCIWJQJW-UHFFFAOYSA-N 343.390 4.554 0 50 EJAA Clc1cnc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(Cl)c1 1857530876 KNHVCWOUGNDBJY-CQSZACIVSA-N 333.222 4.606 0 50 EJAA C[C@H](NC1CC(n2ccnc2)C1)c1ccc(Cl)c2ccccc12 2325797874 ZSDWCMQQAXEAQA-NFOMZHRRSA-N 325.843 4.744 0 50 EJAA CCC(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 1204160 SMQIEACREQXTRO-UHFFFAOYSA-N 345.196 4.606 0 50 EJAA Cc1ccccc1[C@@H]1C=C(c2cccnc2)Nc2nc3ccccc3n21 2919239 XVCCJMAQTZMWHW-NRFANRHFSA-N 338.414 4.796 0 50 EJAA Cc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2nc1C 6186191 QNGAFNWDTHQSHG-UHFFFAOYSA-N 326.787 4.544 0 50 EJAA Fc1ccc(NC(=S)Nc2ccccc2OC(F)F)cc1Cl 8829901 BQEXBMSDFZHJSN-UHFFFAOYSA-N 346.761 4.889 0 50 EJAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 14951013 CEIGJLJPZNTIDK-OAHLLOKOSA-N 338.476 4.633 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(CC2=CCCCC2)s1 17045891 NHMKNNCJADJNJI-UHFFFAOYSA-N 348.859 4.878 0 50 EJAA Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)no2)c1 21790965 YVLSQUXWMHLIKH-LJQANCHMSA-N 332.403 4.627 0 50 EJAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2cccc(Cl)c2)C1 23231372 RWMZTJPKYORNEA-INIZCTEOSA-N 331.891 4.641 0 50 EJAA Cc1ccc(N[C@H](c2ccc(C)cc2)n2nnc3ccccc32)cc1 1534067598 UVYFZVHQVOJWPH-NRFANRHFSA-N 328.419 4.707 0 50 EJAA COC(=O)c1c(NC(=O)C=C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2 149016 PHEMJKFMMHBBIM-GFCCVEGCSA-N 349.496 4.590 0 50 EJAA CC1(C)Cc2nc3ccccc3c(NCc3ccccc3)c2[C@H](O)C1 190492 SZXBXNVDYMXTKW-LJQANCHMSA-N 332.447 4.853 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2ccccc2C(C)C)cc1 399639 IWILCVPOXBJQQJ-UHFFFAOYSA-N 327.380 4.598 0 50 EJAA Cc1cc(C)c(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 422678 AWVPAEJAJCUIAT-UHFFFAOYSA-N 339.464 4.673 0 50 EJAA CC[C@]1(C)C[C@@](CCNCc2ccco2)(c2ccccc2)CCO1 1809909 APRDXPRFHJTFDV-RTWAWAEBSA-N 327.468 4.676 0 50 EJAA biogenic Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 12432981 HNSJIAJPRVWSOL-MRXNPFEDSA-N 347.886 4.650 0 50 EJAA COc1cccc(CNc2cc(C)c3ccc(Cl)cc3n2)c1OC 16667615 YOODDXLMOYLOHK-UHFFFAOYSA-N 342.826 4.826 0 50 EJAA C[C@@H]1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 20167507 XLYSZANINBJJJD-HUUCEWRRSA-N 339.907 4.516 0 50 EJAA CCc1nc([C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)oc1-c1ccccc1 124841328 KFWFDEKCGRIVNR-GFCCVEGCSA-N 349.390 4.512 0 50 EJAA c1ccc(Oc2cccc(N[C@@H]3CCOC4(CCOCC4)C3)c2)cc1 393070369 VOOLKPAYZFVFGV-GOSISDBHSA-N 339.435 4.619 0 50 EJAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1 952872607 ARMSORSGMXFHTN-SHLXMHSPSA-N 349.430 4.718 0 50 EJAA O=C(CCc1ccc(Cl)cc1)NCCC12CC3CC(CC(C3)C1)C2 1875256278 ZIQOPSLXDGCBKB-UHFFFAOYSA-N 345.914 4.995 0 50 EJAA CCOc1ccc(C[C@H](C)CNCc2ccc(C(F)(F)F)o2)cc1 2325793547 ZWXKQFCTCDPCEN-ZDUSSCGKSA-N 341.373 4.666 0 50 EJAA CC1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1 104800 FNFRVVQSILTNLF-UHFFFAOYSA-N 338.476 4.548 0 50 EJAA COc1ccc(Cc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 572387 PFQMPZMEFWGMCW-UHFFFAOYSA-N 342.442 4.992 0 50 EJAA COc1ccccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3434518 ARZYXWYYYFUJKM-SNVBAGLBSA-N 339.222 4.885 0 50 EJAA O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 6474463 KXLSFWJSQZMJFX-FOCLMDBBSA-N 327.383 4.570 0 50 EJAA COc1ccc(Cl)cc1-c1noc(COc2cccc(C)c2C)n1 6703908 UYTKJTGZZXCJQH-UHFFFAOYSA-N 344.798 4.594 0 50 EJAA O=C(CC[C@H]1CCCN(C2CCCCCC2)C1)Nc1ccccc1F 12430678 DAUPPGIDKHZHPJ-QGZVFWFLSA-N 346.490 4.979 0 50 EJAA Cc1ccc(C)c(-c2nc(NC(=O)c3ccoc3C)sc2C)c1 16603079 JTPDAQUHMMQKAJ-UHFFFAOYSA-N 326.421 4.889 0 50 EJAA Cc1cc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)nc(C)c1C 72165337 RULYIXVOKDDSQA-UHFFFAOYSA-N 343.434 4.557 0 50 EJAA Cc1ccc(C)c(NC(=O)CCn2ccnc2-c2sccc2C)c1 72476877 LJQSQDVXTCYZMP-UHFFFAOYSA-N 339.464 4.566 0 50 EJAA CCc1nc([C@H](C)Nc2ccc3oc(=O)[nH]c3c2)oc1-c1ccccc1 124841545 KFWFDEKCGRIVNR-LBPRGKRZSA-N 349.390 4.512 0 50 EJAA CC(C)[C@@H](NC(=O)c1cccs1)c1nc2ccccc2n1C(C)C 252570618 WYWOMBDPAAZNGD-QGZVFWFLSA-N 341.480 4.806 0 50 EJAA C/C(=C\c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1)c1ccccc1F 886062847 TZLLWXVVKXRMDR-SAAKPRMYSA-N 330.403 4.688 0 50 EJAA Cc1nc(C(=O)Nc2ccc(Cl)cn2)c(-c2ccc(F)cc2)s1 888103830 CCODIHRZEDNUKY-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA COc1cccc(OC)c1C(=O)Nc1ccc(-c2ccccc2)cc1C 920213700 KEOVXLTYVJADFF-UHFFFAOYSA-N 347.414 4.932 0 50 EJAA Cc1nc2ccc(-c3nc(C(F)F)nn3C3CCCCCC3)cc2[nH]1 1875349153 OKHHDLSRCUUGND-UHFFFAOYSA-N 345.397 4.963 0 50 EJAA CC1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1 558376 DKMNQNKHSBZPJC-UHFFFAOYSA-N 342.870 4.758 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)OCc1ccc(Cl)cc1 572009 RDFFPSKTBPSSIO-UHFFFAOYSA-N 345.609 4.769 0 50 EJAA Clc1ccc(OCCCN2CCCCCC2)c(Br)c1 2838901 JZZIENDAIORQTL-UHFFFAOYSA-N 346.696 4.747 0 50 EJAA COc1cc(C)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1C 4985525 XRAMAZMWJQILMZ-UHFFFAOYSA-N 325.427 4.740 0 50 EJAA Cc1ccc2nc([C@H]3CCCN3Cc3cncn3C3CCCC3)[nH]c2c1 72150436 DCOHRZBYRRKVAP-HXUWFJFHSA-N 349.482 4.520 0 50 EJAA Cc1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 152501395 BFRNLENVQMUDLA-UHFFFAOYSA-N 344.842 4.724 0 50 EJAA C[C@@H]1CCc2sc3nc(=S)n(-c4ccccc4)c(O)c3c2C1 239212573 SYPKRKMIFJVVBB-SNVBAGLBSA-N 328.462 4.647 0 50 EJAA Cc1ccc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2)o1 952869028 KYDBZFCAURGCNO-UHFFFAOYSA-N 337.341 4.670 0 50 EJAA COC1CC2(C1)C[C@H]2N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 1875328831 NZVYASAMUCJOBT-QLOLRVAOSA-N 341.417 4.950 0 50 EJAA CSc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 97887 GPOHNHYMTNNSAE-UHFFFAOYSA-N 346.502 4.749 0 50 EJAA CN(C)CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 144053 IYSDIBYKXROOMH-UHFFFAOYSA-N 348.494 4.568 0 50 EJAA O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br 1059754 DTSDGDODMBNKDW-UHFFFAOYSA-N 344.252 4.509 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1 3908477 PHKNZMAORRGHOV-UHFFFAOYSA-N 338.310 4.674 0 50 EJAA Cc1cccc(N2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 5019106 OSTGWCACQQUELV-XNTDXEJSSA-N 329.808 4.889 0 50 EJAA CC(=O)c1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1 13931249 TUDBWOFUMHJYQF-AWEZNQCLSA-N 326.465 4.554 0 50 EJAA Cc1csc(NC(=O)c2sc3cccc(F)c3c2Cl)n1 16603924 PDVXWGUOLFJGDS-UHFFFAOYSA-N 326.805 4.711 0 50 EJAA C[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccccc1 170615125 IEZJKQCFVLIQDU-ZDUSSCGKSA-N 345.851 4.533 0 50 EJAA CN(CCc1cccs1)C(=O)N(c1ccccn1)C1CCCCC1 225643596 YISUPJDWYMGIIA-UHFFFAOYSA-N 343.496 4.577 0 50 EJAA CC1(C)CCC(COC(=O)c2csc(CC(F)(F)F)n2)CC1 1875357471 IPFFSCJUTSHVAT-UHFFFAOYSA-N 335.391 4.621 0 50 EJAA CC(C)COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 447793 QOYKWQKRMGYQLD-UHFFFAOYSA-N 348.240 4.736 0 50 EJAA CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 529740 RBRGJLMJMFOXBH-UHFFFAOYSA-N 335.885 4.972 0 50 EJAA O=C(N1CCCCC1)n1cnc(-c2ccccc2)c1-c1ccccc1 552831 LMDCAFLCKXOYGZ-UHFFFAOYSA-N 331.419 4.671 0 50 EJAA Cc1ccc([C@H](C)CCN2CCC[C@@H]3CN(CC(C)C)CC[C@@H]32)o1 14951973 FXXGAMALJOCCAU-RLLQIKCJSA-N 332.532 4.524 0 50 EJAA Cc1ccc([C@@H](C)CCN2CCN(c3ccc(Cl)cc3)CC2)o1 22077673 ADEVJISDHAEHLY-HNNXBMFYSA-N 332.875 4.557 0 50 EJAA Cc1cc(=O)oc2cc(-c3c(-c4ccccc4)ncn3CCF)ccc12 65492369 WPIMHPCFDIZOKG-UHFFFAOYSA-N 348.377 4.601 0 50 EJAA CC(C)N(Cc1ccccc1)C[C@@H](O)Cc1cccc2ccccc12 96027612 ZALLAOGWOZOXPR-QFIPXVFZSA-N 333.475 4.654 0 50 EJAA CCC(NC(=O)O[C@@H]1CCCC[C@@H]1C)(C(F)(F)F)C(F)(F)F 66489 YAYJXPWJMARMIR-DTWKUNHWSA-N 335.288 4.565 0 50 EJAA COc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 395191 GTAZWVNPSJYNIY-UHFFFAOYSA-N 346.430 4.930 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1Br 474494 NQEXVSNRELUMNO-MRXNPFEDSA-N 348.240 4.554 0 50 EJAA CCCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 617393 BMTHLXMNCZUKQV-UHFFFAOYSA-N 337.857 4.611 0 50 EJAA O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccco1 1184189 GGKACIBIOYEROV-UHFFFAOYSA-N 338.750 4.994 0 50 EJAA O=C(c1cc2ccccc2oc1=O)N(c1ccccc1)c1ccccc1 2464392 KDTAGRJFAVDIJX-UHFFFAOYSA-N 341.366 4.772 0 50 EJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccccc1 2862806 AFCZHRPRCWYZQN-HOTGVXAUSA-N 325.452 4.629 0 50 EJAA Cc1ccc(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1 3191166 DHZNMEIBMACSFH-UHFFFAOYSA-N 337.400 4.628 0 50 EJAA in-vitro CCOc1cc(O)c(-c2n[nH]c(C)c2Oc2ccccc2)cc1CC 5095110 PSZIJGLJXVMOKX-UHFFFAOYSA-N 338.407 4.844 0 50 EJAA CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cc(C(C)(C)C)on1 12383118 ZJXCEKSBRFPRGF-CYBMUJFWSA-N 330.428 4.502 0 50 EJAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCCC1 51448917 BXSMYBBUQGTXKX-UHFFFAOYSA-N 347.418 4.922 0 50 EJAA Cc1ccc(-c2nnc([C@H](C)OCc3ccc(Cl)cc3)o2)cc1 170604733 SWSBIBQXGLGEKW-ZDUSSCGKSA-N 328.799 4.976 0 50 EJAA COCCC[C@@H]1CCCN(C(=O)c2ccc(-c3cccs3)cc2)C1 426535350 ZLDABIHDKOEMMY-INIZCTEOSA-N 343.492 4.694 0 50 EJAA c1cc(-c2ccc(CN3CCC([C@@H]4CCOC4)CC3)cc2)cs1 683522641 XKJCHGCHZNWZFJ-LJQANCHMSA-N 327.493 4.664 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3cccnc3)cc1)C2 1704302082 AYPSNRDFKRXNBF-FGZHOGPDSA-N 336.479 4.530 0 50 EJAA CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 115097 DTKVSVBSSIOTDD-WMLDXEAASA-N 332.856 4.927 0 50 EJAA CCOC(=O)c1ccc(Nc2c3c(nc4ccccc24)CCC3)cc1 122857 TXTSSBJYNYPFCU-UHFFFAOYSA-N 332.403 4.644 0 50 EJAA Cc1c(F)cccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 366307 OFGVUGPAMUIZSE-JTQLQIEISA-N 342.197 4.847 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(Cl)c(C)c2)cc1 398475 TXQADPNOSOFIOP-UHFFFAOYSA-N 347.798 4.744 0 50 EJAA COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 401702 HNSHZTMNAOVSBW-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2cccnc12 455348 QQYPFTZNJFCBBJ-UHFFFAOYSA-N 331.297 4.898 0 50 EJAA O=C1CC(c2ccccc2)=NN1c1c(Cl)cc(Cl)cc1Cl 4015974 KDVYKPKKDKFVMG-UHFFFAOYSA-N 339.609 4.788 0 50 EJAA O=c1c(-c2cccc(Cl)c2)c(C(F)(F)F)oc2cc(O)ccc12 5731018 YRPMNTWDXNDUKR-UHFFFAOYSA-N 340.684 4.838 0 50 EJAA biogenic CCOc1ccccc1NC(=O)c1c(N)sc2c1CCCCCC2 5980623 PWWGVIZUHLWNLC-UHFFFAOYSA-N 344.480 4.640 0 50 EJAA Cc1cccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1C 55292246 UZBSBDOHVMVJOA-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA Cc1csc([C@H](C)Nc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72479820 PCYFVKOLAPHMLJ-AWEZNQCLSA-N 349.463 4.643 0 50 EJAA C[C@H](N[C@H](C)[C@@H](O)C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875339229 XPASQPYHKCSWOB-GSHUGGBRSA-N 338.495 4.729 0 50 EJAA O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 51300 YRYVSXXTXGOKEE-UHFFFAOYSA-N 334.400 4.738 0 50 EJAA O=C(/C=C/c1c(F)cccc1Cl)NCCc1cccc(Cl)c1 476125 QGBDLHKPRHJXLN-BQYQJAHWSA-N 338.209 4.505 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)Nc2cccc(NC(C)=O)c2)cc1 611201 WVQYQLXZJXRXTI-ZDUSSCGKSA-N 341.480 4.967 0 50 EJAA Cc1cccc(N2O[C@](C)(N(O)c3cccc(C)c3)CC2(C)C)c1 1138324 UIMJCFNSSCXJGT-FQEVSTJZSA-N 326.440 4.836 0 50 EJAA Cc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 5687776 DTLZFSMUSOLSDH-UHFFFAOYSA-N 336.247 4.838 0 50 EJAA CCc1cc2c(NCc3cccnc3)nc(-c3ccccc3)nc2s1 41090362 JOSDFULSMXOTKJ-UHFFFAOYSA-N 346.459 4.928 0 50 EJAA Cc1nnc([C@H](C)N[C@H](Cc2ccccc2)c2sccc2C)s1 242273598 YEGCRZSMWKBBTC-XJKSGUPXSA-N 343.521 4.851 0 50 EJAA COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 245309394 CNVSMRIFPOSVDX-TVUZHURISA-N 349.430 4.690 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 257345568 BQNVVPPVBZECMC-SXOPZADCSA-N 332.484 4.530 0 50 EJAA C[C@H](NC[C@H](O)c1cc2ccccc2s1)c1ccc(C(F)F)nc1 850441453 ZAGGZFQPDISTGE-NHYWBVRUSA-N 348.418 4.618 0 50 EJAA COc1ccccc1[C@H]1CC[C@H](C)CN1c1nc2ccc(F)cc2o1 1458368394 CRZNZWRTTLAOPO-SUMWQHHRSA-N 340.398 4.953 0 50 EJAA O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1ccccc1 114362 HRVULAWZXDFSLI-UHFFFAOYSA-N 348.379 4.741 0 50 EJAA CC(C)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 129359 BYDYJCUPTWKQKY-UHFFFAOYSA-N 348.240 4.590 0 50 EJAA Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1C 182751 GMVAPNWKQNTGTC-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1c(NC(=O)/C=C/c2ccco2)ccc(Br)c1Cl 475208 WBACJYAZCVWXBF-QPJJXVBHSA-N 340.604 4.656 0 50 EJAA O=C(NCc1ccccc1Cl)c1ccccc1C(=O)c1ccccc1 617472 POOLCZLEIBSGEU-UHFFFAOYSA-N 349.817 4.501 0 50 EJAA CCCCSc1ccc(NC(=O)CSc2ccccn2)cc1 2863127 ABGYJDUUKAWDFC-UHFFFAOYSA-N 332.494 4.705 0 50 EJAA Cc1c(Cl)cccc1NC(=O)COc1ccccc1C(C)(C)C 2933668 JADBRHJQNQHZEX-UHFFFAOYSA-N 331.843 4.963 0 50 EJAA O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc(F)cc1 3906439 SHPMSORMWSUSQX-UHFFFAOYSA-N 349.340 4.532 0 50 EJAA Cc1ccc(C)c(-n2c(S)nnc2-c2csc3c2CCCC3)c1 6533789 AXPBSFVLTXJHSW-UHFFFAOYSA-N 341.505 4.780 0 50 EJAA C[C@@H](Nc1nncc(-c2cccc(Cl)c2)n1)c1ccc(F)cc1 20854342 JEQFHOLWFVDMLA-LLVKDONJSA-N 328.778 4.504 0 50 EJAA CCCc1ccc2oc(C(=O)N(C)CCC[C@@H]3CCCO3)c(C)c2c1 77407160 IMBXDDVSGOPCKH-QGZVFWFLSA-N 343.467 4.725 0 50 EJAA Clc1ccc2c(c1)CN(Cc1ccc([C@@H]3CCCO3)s1)CCO2 215171032 DZJQYDYHDBXQBO-KRWDZBQOSA-N 349.883 4.648 0 50 EJAA Cc1ccsc1CN(C(=O)c1c(C)c2ccccc2n1C)C1CC1 215433946 ANRIXCRQMZDAKD-UHFFFAOYSA-N 338.476 4.661 0 50 EJAA Cc1ccc2[nH]c(C(=O)Nc3cc(C4CCCCC4)[nH]n3)cc2c1C 1445325104 BIXUXGUVAIANAM-UHFFFAOYSA-N 336.439 4.808 0 50 EJAA Cc1cc([C@@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)no1 1506420951 FAHSPRMOTWYSBV-SFHVURJKSA-N 339.464 4.752 0 50 EJAA Cc1[nH]nc2c1CN(c1nc(-c3ccc(C(C)C)cc3)cs1)CC2 2325866635 SSJMHHJYVPENJR-UHFFFAOYSA-N 338.480 4.528 0 50 EJAA O=C(c1ccc(COc2ccccc2Cl)o1)N1CCCCCC1 115573 MKRVVBQAJLOUNY-UHFFFAOYSA-N 333.815 4.528 0 50 EJAA CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 432529 JXTUINJXVMOTNC-NRFANRHFSA-N 344.414 4.856 0 50 EJAA Cc1nc2c(C)cccc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 435932 LLWGIJULDDXRNP-WFASDCNBSA-N 340.648 4.505 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1Cl 436108 BKWPWZGIYDDMHT-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA Cc1c(NC(=O)c2cccs2)cccc1-c1nc2ncccc2o1 447684 JKOFNCUPQOQBOW-UHFFFAOYSA-N 335.388 4.512 0 50 EJAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 572821 KONXNLLMEJDTPD-UHFFFAOYSA-N 330.362 4.500 0 50 EJAA Cc1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)cc1 17071049 JWJRGARWSZPPFP-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 55292264 AZUFRIVNPSXLAO-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA O=C(OCC1c2ccccc2-c2ccccc21)N(O)Cc1ccccc1 90624871 UPELSKFZKLZXAW-UHFFFAOYSA-N 345.398 4.827 0 50 EJAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)on2)C1 100616984 ZKJARBOZHNXDQX-MGPUTAFESA-N 342.414 4.522 0 50 EJAA CCC[C@H](C)c1nc(-c2csc(COCC)n2)n(C2CCCC2)n1 1875349106 MVLDMOQYUPZPSY-ZDUSSCGKSA-N 348.516 4.957 0 50 EJAA O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 192237 OWFHTVPPOGULNI-UHFFFAOYSA-N 337.231 4.845 0 50 EJAA FC(F)(F)c1cc(NC(=S)NC2CCCCC2)ccc1Cl 315326 GDNXGVXHOLZURA-UHFFFAOYSA-N 336.810 4.978 0 50 EJAA Clc1ccc(SCCOCCN2CCc3ccccc3C2)cc1 2845357 RNXXMVAWNIQIAY-UHFFFAOYSA-N 347.911 4.507 0 50 EJAA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1F 4542145 PUTCCGLFTVTBNS-UHFFFAOYSA-N 348.588 4.803 0 50 EJAA COc1ccc(CC[C@H](C)NCc2ccc(C(F)(F)F)cc2)cc1 4986616 NBJBXFLLQSQLPV-AWEZNQCLSA-N 337.385 4.825 0 50 EJAA Cc1ccccc1-c1nc(CN(C)[C@H](C)c2nccs2)c(C)o1 12470653 ACNXYSWFROXMEH-CYBMUJFWSA-N 327.453 4.608 0 50 EJAA Cc1cccc(N2CCN(Cc3ccc4ccccc4c3)CC2)c1C 55543815 XDYCFGVWOLNSFG-UHFFFAOYSA-N 330.475 4.779 0 50 EJAA Brc1ccc2c(c1)Cc1ccc(Br)cc1C2 85397151 YCWJKWOJDJBRCR-UHFFFAOYSA-N 338.042 4.707 0 50 EJAA c1ccc([C@@H]2OCC[C@H]2CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1 191852051 DGUBNQFMJSMLRL-VCOUNFBDSA-N 349.474 4.800 0 50 EJAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 229920012 VTQKRHRXTIMFKW-CWFSZBLJSA-N 349.430 4.713 0 50 EJAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc2ncccc12 263588866 ZIZMESNRTDUIHT-LJQANCHMSA-N 347.443 4.716 0 50 EJAA CCc1cccc(CC)c1NC(=O)COc1ccc2ccccc2c1 474286 QZZCOKYVTVSGIV-UHFFFAOYSA-N 333.431 4.982 0 50 EJAA O=C(NC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 1608612 OEDZOBNNQMBZTN-UHFFFAOYSA-N 343.597 4.609 0 50 EJAA O=[N+]([O-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 39276707 ZWEVOPCBFNUSMD-UHFFFAOYSA-N 335.359 4.753 0 50 EJAA Cc1cc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 184949922 IJESCCQRVNGLED-LLVKDONJSA-N 347.871 4.919 0 50 EJAA COc1ccc(-c2cc(C(=O)OC(C)C)c3cc(C)ccc3n2)cc1 76350 QNVPHUJJOQKGIZ-UHFFFAOYSA-N 335.403 4.784 0 50 EJAA Cc1nc2c(C)cccc2c2c1C[C@H]([C@](C)(Cl)Br)O2 435931 LLWGIJULDDXRNP-DOMZBBRYSA-N 340.648 4.505 0 50 EJAA COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1 498614 SWKJLQGVZJSPKI-UHFFFAOYSA-N 335.388 4.536 0 50 EJAA COc1ccc(-c2nc(CN(C)C(C3CC3)C3CC3)c(C)o2)cc1C 11754071 SKBYJVTUWMWUMT-UHFFFAOYSA-N 340.467 4.587 0 50 EJAA Fc1ccc(-c2n[nH]cc2CN[C@@H]2CCCc3ccccc32)c(F)c1 20601500 PIYOSABKNNLPKB-LJQANCHMSA-N 339.389 4.522 0 50 EJAA COCCC[C@@H]1CCCN(C(=O)c2ccc(-c3ccsc3)cc2)C1 426728227 HMTHJSPVNFKROR-INIZCTEOSA-N 343.492 4.694 0 50 EJAA COCCCn1cc(-c2cccc(-c3ccc(Cl)cc3)c2)cn1 1875340007 IAIHCAWHIYKTHW-UHFFFAOYSA-N 326.827 4.907 0 50 EJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3)cc12 44613 YMTWLCPSMYFKEL-UHFFFAOYSA-N 333.416 4.648 0 50 EJAA CC(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 151338 RNEPHHCEXSKKHF-UHFFFAOYSA-N 331.297 4.595 0 50 EJAA CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 454908 YCWDPKJSEMCCIJ-UHFFFAOYSA-N 332.856 4.590 0 50 EJAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 621365 BKIFAHFSKYJZMP-UHFFFAOYSA-N 327.783 4.739 0 50 EJAA COc1ccc([C@@H](NC(=O)c2ccccc2C)c2ccccc2)cc1 2845459 NASBPWOPQROGDF-NRFANRHFSA-N 331.415 4.523 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1 4309663 HKMMXEHTOYYPLW-KRWDZBQOSA-N 326.827 4.928 0 50 EJAA CCOc1ccccc1OCCOc1ccc(Cl)cc1Cl 4701973 QHFOFVFTGUEVID-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA CC(C)C(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 9230435 ADFPMDOUFIZQLK-UHFFFAOYSA-N 346.430 4.616 0 50 EJAA CCc1noc(C)c1NC(=O)c1ccc(-c2ccccc2F)s1 120863956 FCAWDTPCOJHNON-UHFFFAOYSA-N 330.384 4.665 0 50 EJAA CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC)c1ccc(F)cc1 184438912 ZTSGNEABGNCGRZ-GOSISDBHSA-N 326.415 4.688 0 50 EJAA Cc1ccc([C@H]2CCCCN2C(=O)CCc2ncc(C(C)(C)C)o2)o1 193686380 DAZRRTDFEVQKTF-OAHLLOKOSA-N 344.455 4.560 0 50 EJAA COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 197188577 GAHFOJIJYCNZSE-UCCCNAJCSA-N 349.430 4.690 0 50 EJAA O=C(Nc1ccc(Oc2ccccc2)nc1)N1CCC2(CCCC2)C1 299755750 CLBWDCSZIRMBST-UHFFFAOYSA-N 337.423 4.672 0 50 EJAA O=C(O)C/C(=C\c1cnc(C2CCC2)s1)c1nc2ccccc2o1 349017887 YGVVJJLRWABRBL-XYOKQWHBSA-N 340.404 4.567 0 50 EJAA CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@@H](C)c3ccco3)cc2)nn1 534639972 OSVKKHBVSLXWCB-HNNXBMFYSA-N 349.434 4.693 0 50 EJAA Cc1noc(C(C)C)c1NC(=O)N1CCCC[C@H]1c1ccccc1 932844599 IQHYKPQWKHQNQA-INIZCTEOSA-N 327.428 4.866 0 50 EJAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ccccn2)CC1 1875336722 LTBQEWYWLIYRJS-WKILWMFISA-N 340.492 4.682 0 50 EJAA Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc1-c1ccccc1 28423 OIHCVXXZJIHZQS-DLBZAZTESA-N 334.444 4.861 0 50 EJAA Cc1cc(OCc2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCCC3 45092 WLOZSADCJHCJLT-UHFFFAOYSA-N 338.378 4.698 0 50 EJAA O=C(Nc1ccc(Br)cc1)Oc1cccc2cccnc12 395156 AXZYQXKNUBQTGN-UHFFFAOYSA-N 343.180 4.608 0 50 EJAA O=C(Nc1cccc(Br)c1)c1ccc(-c2ccccc2)o1 409497 NXMBUQXOBYSFIT-UHFFFAOYSA-N 342.192 4.961 0 50 EJAA COc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)cc1 1726235 YBCODSRWKYAVEJ-UHFFFAOYSA-N 347.292 4.627 0 50 EJAA CCCCOc1ccc(NC(=O)CCCOc2ccccc2)cc1 1748072 UBGULNOPIJINHC-UHFFFAOYSA-N 327.424 4.663 0 50 EJAA CCCCNCCCCCCOc1ccc(Br)cc1 2901325 OARXEBFLILLFNO-UHFFFAOYSA-N 328.294 4.778 0 50 EJAA CC(C)(C)C(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12245623 PNDWUCYPYBHZAB-CQSZACIVSA-N 349.883 4.534 0 50 EJAA Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 13710429 OXOULKXTYGDWIR-CYBMUJFWSA-N 337.341 4.728 0 50 EJAA Cc1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)c(C)c1 17072155 CLEIWLLPYJBIIF-UHFFFAOYSA-N 346.459 4.603 0 50 EJAA C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)nc2)C1 796611401 DXVZOBAPPSAHCF-BBRMVZONSA-N 329.831 4.740 0 50 EJAA C[C@@H](NCc1cccc(C(C)(C)O)c1)c1cccc(-c2ccncc2)c1 1875284749 KJGQUCJIYFLILF-QGZVFWFLSA-N 346.474 4.827 0 50 EJAA CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 444751 HEEVNKPKUHQKSA-UHFFFAOYSA-N 328.843 4.829 0 50 EJAA COc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 950668 BKAFBQLCVUSTCX-UHFFFAOYSA-N 348.398 4.633 0 50 EJAA CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3)ccc21 2051802 RJYUSGPXXOPAAY-UHFFFAOYSA-N 328.415 4.996 0 50 EJAA CCN(Cc1ccncc1)C(=O)c1sc2cc(C)ccc2c1Cl 6392196 QUGQWIXEGBUCEL-UHFFFAOYSA-N 344.867 4.920 0 50 EJAA CCc1ccc(-c2cc(C(=O)N(C)C)c3cc(Cl)ccc3n2)s1 6710261 UORCSIGPCLMVRH-UHFFFAOYSA-N 344.867 4.881 0 50 EJAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1C 64985020 XRKLJKUPPSSVIF-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA COC1=NC(C)=C[C@@H](C(O)(c2ccccc2)c2ccccc2)C=C[C@H]1C 104279212 IIMBFCGBBCBRNL-UTKZUKDTSA-N 347.458 4.693 0 50 EJAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 189321823 JURJXWPOCOSXNU-NSHDSACASA-N 342.830 4.550 0 50 EJAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2ccccc2)c2nccs2)C1(C)C 225410226 OCCKDBGGTURBEV-BRWVUGGUSA-N 340.492 4.587 0 50 EJAA O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCCC[C@H]1c1nccs1 246774984 LJDINNTZVDFUQD-OAGGEKHMSA-N 346.883 4.654 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257345836 KLFLXXSXHKVJTP-DYYHUOPESA-N 332.484 4.530 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257346261 WKVMGWGAHCQQRX-JWWCOSLTSA-N 332.484 4.530 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257346263 WKVMGWGAHCQQRX-WYUXNOMOSA-N 332.484 4.530 0 50 EJAA c1cc(-c2ccc(CN3CCC([C@H]4CCOC4)CC3)cc2)cs1 683522640 XKJCHGCHZNWZFJ-IBGZPJMESA-N 327.493 4.664 0 50 EJAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC([C@@H]2CCCCO2)CC1 888102439 ZCOMMSZSEYZTPI-IBGZPJMESA-N 346.446 4.516 0 50 EJAA C[C@@H]1CCCCCN1C(=O)N[C@H](CC1CCOCC1)c1ccccc1 1875258589 ZWNSMIMDHCNVED-YLJYHZDGSA-N 344.499 4.519 0 50 EJAA O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CCc2cnccc21 2325701895 KXTFYGYOPJVGTB-UHFFFAOYSA-N 349.261 4.691 0 50 EJAA S=C(Nc1cccnc1)N(CCc1ccccc1)Cc1ccccc1 111912 LBBFVFNYELCUCA-UHFFFAOYSA-N 347.487 4.523 0 50 EJAA CCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 148715 XXVFPQNYCIFOAN-UHFFFAOYSA-N 337.847 4.913 0 50 EJAA O=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1 424285 TWLWKVANWHRFJX-UHFFFAOYSA-N 344.823 4.834 0 50 EJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@H](C)C(C)(C)C)c2c1 477191 NQVSQHLBPIOUNS-OAHLLOKOSA-N 347.462 4.770 0 50 EJAA CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 575910 NZFSRPLBMKHIPL-UHFFFAOYSA-N 331.481 4.508 0 50 EJAA COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1 900712 BACHBFVBHLGWSL-SNVBAGLBSA-N 341.190 4.726 0 50 EJAA biogenic,in-vivo O=C(Nc1ccc(O)cc1)c1cccc2c(Br)cccc12 1065915 FFYYOZUEERMRNO-UHFFFAOYSA-N 342.192 4.560 0 50 EJAA O=C(c1ccc(F)cc1)c1cnc(Nc2ccccc2Cl)s1 1399963 PTRCNTWXOTXGKP-UHFFFAOYSA-N 332.787 4.910 0 50 EJAA Clc1ccc(Nc2c(-c3ccsc3)nc3cnccn23)cc1 4632350 QLDHGFQERINRPN-UHFFFAOYSA-N 326.812 4.855 0 50 EJAA COc1cc(CNC(C)C)ccc1OCc1c(F)cccc1Cl 10436166 JJCOBXHOHWGEFS-UHFFFAOYSA-N 337.822 4.565 0 50 EJAA CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(F)cc1 13325514 CAQDZHCAPQSFFZ-UHFFFAOYSA-N 331.391 4.536 0 50 EJAA C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1C(F)(F)F 20550742 HKFZMWKIYVLZKU-ZDUSSCGKSA-N 336.357 4.848 0 50 EJAA CCCNc1cc(C(C)(C)C)nc2c(-c3ccc(F)cc3)c(C)nn12 21799329 FHXQPDAHWBFMFQ-UHFFFAOYSA-N 340.446 4.963 0 50 EJAA CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C 170627097 SIWHGUZOEXLWNQ-ROUUACIJSA-N 335.451 4.629 0 50 EJAA CC(C)(NCc1c[nH]c2cc(C(F)(F)F)ccc12)c1cccnc1 2325802448 HZHIIJRDDMTKCF-UHFFFAOYSA-N 333.357 4.607 0 50 EJAA CCOc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1 130376 UCGKKDGFKNSNBW-UHFFFAOYSA-N 348.427 4.513 0 50 EJAA Cc1c(Cl)cccc1NC(=O)COc1ccc(Cl)cc1Cl 401502 VRHVMJKEOFKLTM-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA O=C(NCCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 461651 AEPDWUOONQOZPE-UHFFFAOYSA-N 328.626 4.619 0 50 EJAA CCc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)cc1 482447 IMJFUCHTHSVTRF-UHFFFAOYSA-N 344.410 4.956 0 50 EJAA c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 4336652 OMXGMDCWDJHQIA-HXUWFJFHSA-N 342.398 4.771 0 50 EJAA CCSc1nnc(NC(=O)c2oc3ccc(CC)cc3c2C)s1 5050930 CMKHFJYZMLVQFA-UHFFFAOYSA-N 347.465 4.519 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]c12 72424233 XBXXFZZXPMHZJJ-SFHVURJKSA-N 347.462 4.856 0 50 EJAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccccc1Oc1ccccc1 222821706 FKGFOGGVQVTPGX-SFHVURJKSA-N 339.435 4.510 0 50 EJAA FC1CCC(CNc2nc(-c3ccccn3)nc3sccc23)CC1 1186905209 CQLSHKXQCFYCCS-UHFFFAOYSA-N 342.443 4.694 0 50 EJAA Cc1cc(N2CCC[C@H]2c2nc(C(C)C)no2)nc2cc(F)ccc12 1529167885 QPBXSLFBAJNRQO-INIZCTEOSA-N 340.402 4.530 0 50 EJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1cc(C)cc(C)c1 1776004611 WFMBEZWYFVHSCV-UHFFFAOYSA-N 348.464 4.512 0 50 EJAA Cc1ccc(-c2nc3c(C)cccn3c2NC(=O)c2ccccc2)cc1 37888 UDLAALQBPXEBOD-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA COc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1 103850 XLDYHJSHESQKEF-UHFFFAOYSA-N 343.386 4.755 0 50 EJAA Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1 284509 NANOASTVJZBQFP-UHFFFAOYSA-N 338.428 4.929 0 50 EJAA C[C@@H]1CCCN(CCCOc2ccc(Br)cc2Cl)C1 2825083 UXHDUFIOVXVIJL-GFCCVEGCSA-N 346.696 4.603 0 50 EJAA Cc1ccccc1-c1cc(C(=O)NC2CC2)c2cccc(Cl)c2n1 6789858 YILMBVMEXZUWTQ-UHFFFAOYSA-N 336.822 4.756 0 50 EJAA Cc1ccc(C)c(OCCCC(C)(C)C(=O)OCc2cccnc2)c1 71769199 AADRDJJUVMOCEP-UHFFFAOYSA-N 341.451 4.627 0 50 EJAA FC(F)Oc1cccc(COc2ccc(Br)cc2)c1 86014418 UCXLNBANNNEYNK-UHFFFAOYSA-N 329.140 4.630 0 50 EJAA Cc1nc(Nc2ccc(C(F)(F)F)cc2)sc1-c1ccncn1 221597307 OIGRZRJQYIIURP-UHFFFAOYSA-N 336.342 4.671 0 50 EJAA Cc1cc(-c2ccc(C(=O)O)cc2)cc(-c2ccc(C(=O)O)cc2)c1 221605357 XTEFXDSIWNENNF-UHFFFAOYSA-N 332.355 4.725 0 50 EJAA CO[C@@H](C)c1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1 225535948 SCBKZVUCESXWNZ-LBPRGKRZSA-N 343.814 4.710 0 50 EJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 229827111 RPFXZAVVAHHALA-CWFSZBLJSA-N 349.430 4.713 0 50 EJAA CC1=CC2(CCN(c3ccnc4c(C)cc(Cl)cc34)CC2)OCC1 1772705227 QLIKWNPFESYUPT-UHFFFAOYSA-N 342.870 4.902 0 50 EJAA CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C 6047 DUXZAXCGJSBGDW-HXUWFJFHSA-N 341.495 4.525 0 50 EJAA endogenous,world CC(C)c1ccccc1NC(=O)COc1ccc(Br)cc1 43955 GHKWFHXEZAWWQO-UHFFFAOYSA-N 348.240 4.590 0 50 EJAA CCc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 187525 DFYWICVYKCAHHN-UHFFFAOYSA-N 343.386 4.705 0 50 EJAA Cc1ccccc1OCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 444608 WKOHDWMWQGKUOL-UHFFFAOYSA-N 329.399 4.584 0 50 EJAA aggregator CCc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 2813559 XAMABYFLXPTALU-HZPDHXFCSA-N 334.246 4.775 0 50 EJAA CCc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 2947472 UUSYHVMVJMUGIM-QGZVFWFLSA-N 334.246 4.703 0 50 EJAA O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccccc1Cl 6698224 UBABFXTUUWDKDL-UHFFFAOYSA-N 343.858 4.970 0 50 EJAA Cc1cccc2c(C(=O)n3cccn3)cc(-c3ccc(Cl)cc3)nc12 6789540 IUWOVIYOCOMWKL-UHFFFAOYSA-N 347.805 4.749 0 50 EJAA Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(Cc2ccsc2)C1 19229262 HOALIXAEBHDZBJ-QGZVFWFLSA-N 337.492 4.826 0 50 EJAA COc1ccc([C@@H]2C[C@]23CC[C@@]2(C[C@@H]2c2ccc(OC)cc2)C3=O)cc1 169330336 SCWGCMYYEYQDTI-MTRWAHQCSA-N 348.442 4.714 0 50 EJAA c1ccc(C(CNc2ncnc3sccc23)c2ccccc2)cc1 196136588 BDBGVZLTVUXIIB-UHFFFAOYSA-N 331.444 4.935 0 50 EJAA CCOc1ccccc1-c1nc(-c2ccccc2)c(CC(=O)O)s1 241466154 NVEDYGIGLCGLBE-UHFFFAOYSA-N 339.416 4.503 0 50 EJAA CCCN(C(=O)C1=CCOCC1)[C@H](C)c1ccc(Cl)c(Cl)c1 408515362 ODQRMVYDCKSPBI-GFCCVEGCSA-N 342.266 4.640 0 50 EJAA C=Cc1ccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 1472590315 VRCXDHKRWSBMGC-UHFFFAOYSA-N 336.822 4.663 0 50 EJAA Cc1c(-c2ccc(Cl)cc2)n2c([n+]1-c1ccccc1)SCCC2 264582 AMZKBAVRPWMUNP-UHFFFAOYSA-N 341.887 4.889 0 50 EJAA C[C@@H](CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 303238 GMXKIOFYCSUYLU-NSHDSACASA-N 336.204 4.721 0 50 EJAA CC(C)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12 355545 ITUQLTOGQULATF-UHFFFAOYSA-N 348.446 4.827 0 50 EJAA Cc1cccc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c1 459648 NMEHLMQTFJDXEC-UHFFFAOYSA-N 349.217 4.855 0 50 EJAA COc1ccccc1NC(=O)c1ccc(COc2cccc(C)c2)cc1 467028 ILZLZLXBUTVGAX-UHFFFAOYSA-N 347.414 4.835 0 50 EJAA O=C(NCc1ccccc1)c1cc(-c2cccs2)nc2ccccc12 548689 VLIUXSZWZPPNAA-UHFFFAOYSA-N 344.439 4.893 0 50 EJAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 566562 VDWDLECHMZLDKJ-LBPRGKRZSA-N 328.481 4.734 0 50 EJAA Cc1nc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2s1 619117 XIKIYUFWADFRIU-HNNXBMFYSA-N 337.448 4.626 0 50 EJAA O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1Cl 1152632 MWYOBOFFPUUHJN-OXTPFRESSA-N 331.780 4.730 0 50 EJAA O=C1O[C@@](Nc2ccc(Cl)cc2)(c2ccccc2)c2ccccc21 2283314 KENQCGZZRKGLIF-FQEVSTJZSA-N 335.790 4.824 0 50 EJAA Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 10156623 AZEGBBUJUTWSOC-CYBMUJFWSA-N 335.432 4.503 0 50 EJAA COC(=O)C1=C(CC(Cl)(Cl)Cl)CC[C@H]1C(C)(C)Cl 45071503 FEHGKEQQTALQRK-MRVPVSSYSA-N 334.070 4.644 0 50 EJAA O=C(c1cccc2ccccc12)c1cn(CCCCO)c2ccccc12 64858596 FIBVDFAPDNJBNI-UHFFFAOYSA-N 343.426 4.798 0 50 EJAA in-vitro Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 72117898 TUBSJNRNSFNONO-UHFFFAOYSA-N 334.379 4.530 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 77339838 LUVSSIKXWIRNQV-HNNXBMFYSA-N 332.444 4.691 0 50 EJAA COc1cccc([C@@H]2CCCN2C(=O)Nc2ccsc2Cl)c1 189314801 DLFHWTSPKTXCIZ-AWEZNQCLSA-N 336.844 4.779 0 50 EJAA C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 440755535 PGJKMLLBZWVONI-IGCXYCKISA-N 345.874 4.706 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccnc(F)c1 751059690 OWPKLWFGPJYVKP-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA Cc1csc(-c2ccc(NCc3cc(-c4ccccn4)n[nH]3)cc2)n1 1474049473 XRWUPTNXQORFAB-UHFFFAOYSA-N 347.447 4.516 0 50 EJAA Cc1ccc(C2=NO[C@H](CN[C@H]3CC(C)(C)c4ccccc43)C2)cc1C 1875328666 GDPATZJNLYGCLB-AVRDEDQJSA-N 348.490 4.809 0 50 EJAA c1ccc(Nc2nc3ccccc3n2CCOc2ccccc2)cc1 202035 UFQZHLCAFAVMCQ-UHFFFAOYSA-N 329.403 4.859 0 50 EJAA COc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)c(Cl)c1 397742 MWLXPFVSJIHIJS-UHFFFAOYSA-N 342.178 4.622 0 50 EJAA CCCCc1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1 2836655 LTCJCFBTRNCBQH-UHFFFAOYSA-N 347.572 4.625 0 50 EJAA C/C=C/c1ccc(OCCCCOc2ccc(OC)cc2)c(OC)c1 4701927 OIZMOTBUNUATGA-QPJJXVBHSA-N 342.435 4.975 0 50 EJAA CC[C@@H](C)c1ccc(NC(=O)c2ccc(Br)o2)c(O)c1 5953915 PSFYQHWDFXWPKJ-SECBINFHSA-N 338.201 4.514 0 50 EJAA Cc1ccc([C@H](NC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 15839724 OEBGYJJPFVIZIQ-IBGZPJMESA-N 336.822 4.563 0 50 EJAA CC(C)Oc1ccc(F)cc1NCc1csc([C@H]2CCCO2)n1 134846769 LMMXHZRCANICSF-MRXNPFEDSA-N 336.432 4.533 0 50 EJAA COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 251150038 HYCPIHNPNGVLPJ-RDXNAXDHSA-N 339.435 4.611 0 50 EJAA Cc1ccc(-c2cccc(CN3CCC[C@@H](Cn4ccnc4C)C3)c2)o1 825197904 UMYJQXMIQYMYHY-HXUWFJFHSA-N 349.478 4.672 0 50 EJAA CC(C)c1nc(CNC[C@H](c2ccccc2)N2CCCCCC2)co1 952869673 YDJPBJLITNRGKZ-HXUWFJFHSA-N 341.499 4.505 0 50 EJAA Cc1ccc(NC(=O)c2cc3ccccc3o2)c(Br)c1 133080 GUTIQEAVMDWRJN-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA O=C(Nc1cccnc1)c1cc(-c2cccs2)nc2ccccc12 200542 BEQUGALOLADXBU-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA CCC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 528725 JGOKJVNWVYERHA-UHFFFAOYSA-N 338.407 4.975 0 50 EJAA COc1ccccc1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 546492 XMIGORWJCPJZTH-IBGZPJMESA-N 343.426 4.640 0 50 EJAA Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3O)cc(C(=O)O)c2c1 2755067 QUEZLNSRLQEYEC-UHFFFAOYSA-N 348.185 4.921 0 50 EJAA Cc1csc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1 3259789 QSKCTZKRMRTPSW-UHFFFAOYSA-N 326.805 4.711 0 50 EJAA CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1O 4020013 QAOFNXJEBHMTIN-UHFFFAOYSA-N 337.400 4.646 0 50 EJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)cc1 6048144 JDVCLFLCYWSFDI-FQEVSTJZSA-N 348.446 4.899 0 50 EJAA CC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1C 6184731 HLBQXFHQDICAHW-UHFFFAOYSA-N 327.236 4.587 0 50 EJAA C[C@@H]1CN(Cc2ccc3ncccc3c2)Cc2cc(Cl)ccc2O1 11913443 QRXYMLDFPYAKAW-CQSZACIVSA-N 338.838 4.671 0 50 EJAA CC(C)(C)CN1CCC[C@H](c2[nH]ncc2-c2cc(F)ccc2F)C1 12098151 XJXPPIYWHBZEGX-ZDUSSCGKSA-N 333.426 4.580 0 50 EJAA O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1Cl 12651404 HVKRZSKAPAIVOY-UHFFFAOYSA-N 332.806 4.722 0 50 EJAA C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100548071 ULHXHRCKAFMMRL-SMDDNHRTSA-N 348.229 4.677 0 50 EJAA CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccncc1 117665007 AZLSQFUNBRYFCM-UHFFFAOYSA-N 326.396 4.616 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@]12C 257346165 SYTVBUBBHFDVIK-DOTXUXAMSA-N 332.484 4.530 0 50 EJAA CCCc1nc(-c2ccc3snnc3c2)n(-c2cc(C)ccc2C)n1 1875349201 PZGZMVMETOAABI-UHFFFAOYSA-N 349.463 4.508 0 50 EJAA C[C@H]1c2c(Br)cccc2CCN1c1ncccc1Cl 2325828749 QBRCCAYQICZNKJ-JTQLQIEISA-N 337.648 4.621 0 50 EJAA Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)cc(C)c1Cl 63620 SGKWYXNGEMJEEX-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA CC(C)Oc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 442746 XPPLAVLWWRXSQW-UHFFFAOYSA-N 337.463 4.569 0 50 EJAA CC(C)=CCOc1cc(OCC=C(C)C)c2c(C)cc(=O)oc2c1 615063 BNBUTDCOZBXVND-UHFFFAOYSA-N 328.408 4.791 0 50 EJAA CCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1 1779245 ZZEMPXZLJRKBKF-JLHYYAGUSA-N 337.419 4.720 0 50 EJAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21 2732332 GAFPIWUWFIMKOJ-UHFFFAOYSA-N 325.359 4.815 0 50 EJAA Cc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1F 13320306 CIABHYMGGLHRSP-UHFFFAOYSA-N 326.415 4.621 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 55292084 JBDIWNSIACSHMD-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA Cc1ccc2nc(C)cc(C(=O)N3CCCC[C@@H]3c3cccnc3)c2c1 72448423 OFWDQPXVWFAFBX-OAQYLSRUSA-N 345.446 4.614 0 50 EJAA O=C(c1ccc(CNc2ccc(C3CC3)c(F)c2)cc1)N1CCCC1 252480181 BXNFCFBFDCTPJB-UHFFFAOYSA-N 338.426 4.551 0 50 EJAA O=C(c1cc2c(s1)CCCCC2)N1CC[C@H](c2ccccc2)C1 499756415 KCOCPOVQMJNZDM-KRWDZBQOSA-N 325.477 4.647 0 50 EJAA Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(/C=C/C(=O)O)c1 35046 JQMVUAYFYRCGHV-ZHACJKMWSA-N 347.370 4.605 0 50 EJAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccncc1 546590 POFLMCHXFSYPDB-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc3ccccc3c2)c(C)c1 4797118 UIAXXRPPYFRBRQ-UHFFFAOYSA-N 326.417 4.533 0 50 EJAA Clc1ccc(-c2ccc(CNCc3cccnc3)o2)c(Cl)c1 7365341 RMLGZGNUHKBZJY-UHFFFAOYSA-N 333.218 4.938 0 50 EJAA O=c1cc(CSCc2ccc(Cl)cc2)nc(-c2ccccc2)[nH]1 12336343 MEQWBNBTDNZKJV-UHFFFAOYSA-N 342.851 4.524 0 50 EJAA CCCC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 12404370 DWBDWSWBLJKIJG-UHFFFAOYSA-N 331.803 4.723 0 50 EJAA O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 33343469 LQQKFMQBKAGDMX-XNTDXEJSSA-N 329.808 4.577 0 50 EJAA CCc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100072417 PQCBUMUOEOTEOB-SFHVURJKSA-N 336.826 4.550 0 50 EJAA C[Si](C)(/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 169816725 DNDMMTGLSQZGLF-CMDGGOBGSA-N 328.356 4.550 0 50 EJAA O=C1CCC[C@H](Nc2ccc(Br)cc2)c2ccccc2N1 1875354200 CTBZVCUSTMMHMV-HNNXBMFYSA-N 345.240 4.725 0 50 EJAA CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 423607 QAUZTVXTUHWPQC-UHFFFAOYSA-N 326.783 4.810 0 50 EJAA Cc1ccc(C)c([C@H](NC(=O)c2ccc(F)cc2)c2ccccc2)c1 619897 DZHYWUBYHXDDLW-OAQYLSRUSA-N 333.406 4.962 0 50 EJAA Cc1cccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3)s2)c1 2669175 SFNJTCAVZSVQTA-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA CCn1nc(C)c(NC(=O)c2sc3ccccc3c2Cl)c1C 2767284 GWMMVAOGNFCFQP-UHFFFAOYSA-N 333.844 4.640 0 50 EJAA CC(=O)Nc1cccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 6728715 JEHBNXLDDBRNMR-UHFFFAOYSA-N 338.194 4.596 0 50 EJAA C[C@H](NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccccc1 11904178 KFELMZYCZIVOKG-AWEZNQCLSA-N 347.443 4.554 0 50 EJAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1cccs1 21525276 NLKRRKSCVXLZMS-HNNXBMFYSA-N 342.395 4.520 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@H](c3ccccn3)C3CC3)[nH]c12 92061682 LZOZPUMLCGZNAM-NRFANRHFSA-N 347.462 4.711 0 50 EJAA O=C(O)CCCCN1CC[C@H](c2cccc(Oc3ccccc3)c2)C1 376357689 YQDMBGKFMKTQTA-SFHVURJKSA-N 339.435 4.523 0 50 EJAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1nc(-c2ccccc2)cs1 1293872505 AAGUMAGFSDKEMA-UWWQBHOKSA-N 340.492 4.532 0 50 EJAA CC[C@H](C(=O)Nc1ccc(C)cc1Br)c1ccccc1 438463 RLYVXQDTINZEFZ-AWEZNQCLSA-N 332.241 4.890 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@H](C)CCC[C@H]1C 442341 OVSIHFXJPAGPAX-VXGBXAGGSA-N 332.831 4.707 0 50 EJAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1 463865 GTKARXAIDIXVND-BUYIWHAFSA-N 338.476 4.727 0 50 EJAA CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3)ccc12 2814184 HQQTXKLXTWSHJM-UHFFFAOYSA-N 326.367 4.854 0 50 EJAA Cc1cc(OCc2ccccc2Cl)c2c3c(c(=O)oc2c1)CCC3 4746073 HEZKPQYYCQJXPC-UHFFFAOYSA-N 340.806 4.823 0 50 EJAA COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 13496970 WRMFVKBRPXKIBB-UHFFFAOYSA-N 326.343 4.523 0 50 EJAA FC(F)(F)c1cccc(CN2CCC(Oc3ccccc3)CC2)c1 64794189 XCDCEYRVEXJLEP-UHFFFAOYSA-N 335.369 4.749 0 50 EJAA Cc1ccccc1Oc1ncccc1CNc1ncccc1Cl 67714675 SSAOYSXTCWFLNZ-UHFFFAOYSA-N 325.799 4.843 0 50 EJAA CCc1ccccc1NC(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 72139275 HISHFQWTZMPKTQ-UHFFFAOYSA-N 347.422 4.735 0 50 EJAA CCc1onc(C)c1NC(=O)N1c2ccccc2CC[C@H]1C(C)C 225647076 WXSGQVLOXARBTB-HNNXBMFYSA-N 327.428 4.555 0 50 EJAA CC(C)(C)C(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 252484705 GFCSUTJOAMZKFA-GOSISDBHSA-N 339.435 4.659 0 50 EJAA Cc1ccc2oc(C(=O)N3CCC(Cc4cccnc4)CC3)c(C)c2c1 426641515 YQLFEISCTBJTQW-UHFFFAOYSA-N 348.446 4.540 0 50 EJAA O=C(O)c1cc(-c2ccccc2OC[C@H]2CCOC2)cc2ccccc12 2325822633 FRVXWLXGOUIQJI-HNNXBMFYSA-N 348.398 4.620 0 50 EJAA CC(C)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 396294 DDOHGXQMISKSCS-UHFFFAOYSA-N 345.993 4.564 0 50 EJAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Oc2ccccc2)cc1 1165256 NXAUYLAIDOVJHO-UHFFFAOYSA-N 347.370 4.502 0 50 EJAA Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 2303659 RVMQHAZVEUQQPA-KRWDZBQOSA-N 331.415 4.543 0 50 EJAA Clc1ccc(OCCOc2ccc3c(c2)CCC3)c2ncccc12 2862928 ROHFSXUDWIPNNY-UHFFFAOYSA-N 339.822 4.835 0 50 EJAA COc1cc(C=O)ccc1OCCCCOc1cccc(C(C)C)c1 2984819 QGWNIAGJVIQQNN-UHFFFAOYSA-N 342.435 4.869 0 50 EJAA c1ccc2c(c1)ccn2CCCNCc1ccc([C@@H]2CCCO2)s1 952866978 HRZCSAFVUALKST-IBGZPJMESA-N 340.492 4.734 0 50 EJAA CC(C)COc1ccccc1CNC(=O)C1CCC(C2CC2)CC1 1355316206 PBXVUTCJGDWAHG-UHFFFAOYSA-N 329.484 4.554 0 50 EJAA CC(C)(C)[C@H](CCc1cccc(F)c1)N[C@@H]1C[C@@H](N)c2ccccc21 1875344046 CJCCICWRMOKUOB-NJYVYQBISA-N 340.486 4.907 0 50 EJAA CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 434516 MRDKDDFNNDNIIG-LBPRGKRZSA-N 333.840 4.662 0 50 EJAA CC(C)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 470700 NOKBOOITJLOSDU-UHFFFAOYSA-N 344.414 4.562 0 50 EJAA O=C(CSCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 618498 AWBORAVNRLAJKS-UHFFFAOYSA-N 340.275 4.543 0 50 EJAA COc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 620016 BJQBGEHEKBMOAC-INIZCTEOSA-N 331.415 4.853 0 50 EJAA Cc1ccc(OCCNC(=O)c2sc3ccccc3c2Cl)cc1 2074737 TZAHWIKWNYANPP-UHFFFAOYSA-N 345.851 4.672 0 50 EJAA Cc1cc(C)nc(SCC(=O)n2c3ccccc3c3ccccc32)n1 2280739 CYDUROZKAXQJGO-UHFFFAOYSA-N 347.443 4.634 0 50 EJAA CCOc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 4869293 WEJQBWSWIXVPAD-UHFFFAOYSA-N 336.174 4.561 0 50 EJAA COc1ccc(Cl)cc1NC(=S)Nc1ccc2c(c1)CCC2 4999060 PXMUAHPPASZOGG-UHFFFAOYSA-N 332.856 4.646 0 50 EJAA COc1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1 34447336 VSQCNKSPBCLILD-UHFFFAOYSA-N 345.442 4.548 0 50 EJAA CCc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)on1 64985100 DWMYERYVHKFBEO-OAHLLOKOSA-N 333.819 4.568 0 50 EJAA C[C@H](c1ccc(Br)cc1)N(C(=O)OC(C)(C)C)C1CC1 145995116 JJYALZMUDZLOEN-LLVKDONJSA-N 340.261 4.910 0 50 EJAA Cc1sc2nc([C@H]3CCCCO3)nc(O)c2c1-c1ccc(F)cc1 952884104 XTKHPQLCQKOZSX-CYBMUJFWSA-N 344.411 4.753 0 50 EJAA Cc1nc(CN[C@@H](C)c2ccc(F)c3ccccc23)c2n1CCCC2 2325707876 DHFGWBWNSUDSKK-AWEZNQCLSA-N 337.442 4.671 0 50 EJAA Cc1cccc2sc(NC(=O)c3cccc(Br)c3)nc12 253376 WHJRCOZCFRSSFP-UHFFFAOYSA-N 347.237 4.620 0 50 EJAA Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 381990 YXKIOYDSGWGJNQ-UHFFFAOYSA-N 349.455 4.675 0 50 EJAA CCc1c(O)cc2cc(OC)c(OC)cc2c1NCc1ccccc1 758933 XZNCLLAFYWANJW-UHFFFAOYSA-N 337.419 4.737 0 50 EJAA CC(C)Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1 2383645 JZLCIEFJHPIMPR-ZHACJKMWSA-N 327.855 4.868 0 50 EJAA COc1ccc(NC(=O)N2CCCC[C@@H]2c2cccc(F)c2)cc1 72158021 JLWLILCYXJGPFK-GOSISDBHSA-N 328.387 4.593 0 50 EJAA COc1ccccc1[C@H](NCc1cc(C)on1)c1ccccc1Cl 172920851 SWPQVPRRJXEGQK-LJQANCHMSA-N 342.826 4.524 0 50 EJAA C[C@H](c1ccncc1)N(C)C(=O)c1ccc(-c2cccc(F)c2)cc1 215147975 NHBXNSPMRBVHTP-OAHLLOKOSA-N 334.394 4.721 0 50 EJAA O=C(/C=C\Nc1ccc(Br)cc1)c1ccc(Cl)cc1 216684847 QIUPJXVQDAIJHT-KTKRTIGZSA-N 336.616 4.911 0 50 EJAA O=c1oc(-c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc12 281848 FVAFEVBPPBTGRS-UHFFFAOYSA-N 326.566 4.815 0 50 EJAA Cc1cc(C(=O)[C@@H](C)Oc2ccccc2)cc(C)c1Br 397786 RHINRKDFDSLRAJ-CYBMUJFWSA-N 333.225 4.716 0 50 EJAA Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 525847 IFDZWAAVSMRMFU-UHFFFAOYSA-N 340.235 4.674 0 50 EJAA CCC[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 6703859 SSQJEHPBNBXWTD-AWEZNQCLSA-N 335.407 4.778 0 50 EJAA c1ccc(CN(Cc2nc(-c3ccccc3)no2)CC2CCC2)cc1 12075737 KCOBUYXIHMDYRF-UHFFFAOYSA-N 333.435 4.539 0 50 EJAA Cc1ccc([C@H](C)CCN2CCC(O)(c3ccc(Cl)cc3)CC2)o1 22077762 MWAJZRWGOUSUHX-OAHLLOKOSA-N 347.886 4.719 0 50 EJAA Cc1cc(CN2CCCC2)ccc1Oc1ccc(-c2ccccc2)nn1 67755154 VNDRBEVDALBQNW-UHFFFAOYSA-N 345.446 4.840 0 50 EJAA COc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)c(C)o2)cc1 118186886 UCZIZFCFRJAMRG-UHFFFAOYSA-N 336.391 4.528 0 50 EJAA C[C@H](N[C@@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 119183510 IHOZGPTZRJMATD-GJZGRUSLSA-N 337.398 4.820 0 50 EJAA Cc1ccc(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)s1 223397141 OOIUPRKLBLLNCJ-UHFFFAOYSA-N 348.899 4.630 0 50 EJAA C[C@@H]1C[C@H](OC(=O)Nc2ccccc2)[C@H]2C=C(Cl)C=C[C@H]2S1 252427643 AVUMPMDHVMPXFL-BQDHKBFISA-N 335.856 4.806 0 50 EJAA CC(C)Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1 252494992 OKCLNPNIHFIBMX-AWEZNQCLSA-N 344.377 4.669 0 50 EJAA CCCn1ncc(CNCC[C@H](c2ccccc2)c2ccco2)c1C 952981388 MLDBITPXKVMXJX-HXUWFJFHSA-N 337.467 4.506 0 50 EJAA Cc1nn(C(C)C)cc1CN[C@H](c1cccc(Cl)c1)C(F)F 1474706348 APHWQHKKCLLATA-OAHLLOKOSA-N 327.806 4.522 0 50 EJAA Fc1cccnc1NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1875335731 DZXOXCOIAACQMR-KRWDZBQOSA-N 331.394 4.946 0 50 EJAA COc1ccccc1-c1ncc(C(=O)N[C@@]2(C)CCCC2(C)C)s1 2325829025 YNRXPHFCSZJXGN-IBGZPJMESA-N 344.480 4.517 0 50 EJAA Cc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12 87781 CAPMCIXDPRWVQT-UHFFFAOYSA-N 335.432 4.567 0 50 EJAA aggregator O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)o1 246310 WLGDEQDNCRILHR-UHFFFAOYSA-N 334.984 4.601 0 50 EJAA CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 437516 WRQBOOKJXHXDAW-UHFFFAOYSA-N 330.815 4.577 0 50 EJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 453097 XCEIVIXFZHCMIZ-SNVBAGLBSA-N 343.732 4.765 0 50 EJAA CCc1sc(NC(=O)Cc2ccc(C)cc2)nc1-c1ccccc1 465441 LFAVGOCDKUOISZ-UHFFFAOYSA-N 336.460 4.862 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1C 20394750 DAZKEOOGWMNPEN-UHFFFAOYSA-N 337.192 4.849 0 50 EJAA C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 101703422 XBIOQKJAUYGCAY-SEONNTABSA-N 333.475 4.759 0 50 EJAA COc1ccc(CNc2ncnc3ccccc23)cc1OC1CCCC1 170621103 YUDINUWTIGJXGI-UHFFFAOYSA-N 349.434 4.572 0 50 EJAA Cc1ccc(C)c(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1 244724589 MWYKJAWYUDYBMH-FCHUYYIVSA-N 326.528 4.532 0 50 EJAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccc(C(=O)O)cc1 263571877 KAPAFTKZXYALRS-KGLIPLIRSA-N 331.843 4.662 0 50 EJAA CCCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(OC)cc1F 426503549 MTCUDPYYBNBFIJ-CYBMUJFWSA-N 346.402 4.506 0 50 EJAA CCOc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 149067 BIJAPVJKUHNFEB-UHFFFAOYSA-N 330.453 4.728 0 50 EJAA Cc1ccc(SC(=O)COc2ccc(Cl)cc2Cl)cc1 306570 GMQGAYFWUDRKRT-UHFFFAOYSA-N 327.232 5.000 0 50 EJAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Br)cc1 443714 SHYHOCFISRJXSQ-NSHDSACASA-N 336.254 4.568 0 50 EJAA COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1OC 2951046 MUFIFFDLANUBMN-UHFFFAOYSA-N 348.398 4.898 0 50 EJAA Cc1cc2c(s1)[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc2c(c1)OCO2 4512277 KCUMDOBAIIFHQY-DDUZABMNSA-N 328.433 4.931 0 50 EJAA COc1ccc([C@H](C)N(C)C(=O)c2cccc3c(C)c(C)[nH]c23)cc1 96164870 YBSRJBPPBQDKHC-HNNXBMFYSA-N 336.435 4.627 0 50 EJAA C[C@H](N[C@H]1CCCc2cccnc21)c1ccccc1OC(F)(F)F 927062828 OEGSVRQZOUXQKV-WFASDCNBSA-N 336.357 4.708 0 50 EJAA Cc1cnn(C2CCCC2)c1NC(=O)[C@@H](C)c1ccc(Cl)cc1 1529151916 HEEQYVSYNJQKCZ-ZDUSSCGKSA-N 331.847 4.702 0 50 EJAA CC(C)C1CCC([C@@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 1875345311 VZZINIRRIDRNTJ-HXJXPZHGSA-N 343.555 4.868 0 50 EJAA COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C)c1C 90875 TYENUGQNBZKZRD-UHFFFAOYSA-N 345.464 4.701 0 50 EJAA O=c1oc2ccccc2cc1-c1csc(NCCc2ccccc2)n1 316160 CMBVDJCWEIXKLT-UHFFFAOYSA-N 348.427 4.571 0 50 EJAA CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 467255 KLIOMZQXYKVPQP-UHFFFAOYSA-N 346.839 4.909 0 50 EJAA C/C=C/c1ccc(OCCOc2cccc3cccnc23)c(OC)c1 2984219 XLWNIFNVWVCEOA-ZZXKWVIFSA-N 335.403 4.734 0 50 EJAA CC(=O)c1ncc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1 12338447 OJDMYXOEPXAPQS-UHFFFAOYSA-N 333.231 4.989 0 50 EJAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc2ccccc2[nH]1 12384886 BCPPWLRDMJKZJD-CPUCHLNUSA-N 346.496 4.659 0 50 EJAA COc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 36620388 FLAASPYWUYJSDI-MRXNPFEDSA-N 330.815 4.718 0 50 EJAA Fc1ccc([C@H]2CCCCN2Cc2cncn2C2CCCC2)cc1 72157168 GEBNIFPBKLSZHR-HXUWFJFHSA-N 327.447 4.865 0 50 EJAA CC[C@H](C)N(C[C@H](O)c1cccn1Cc1ccccc1F)[C@H](C)CC 201035584 FXQMNNHPOYWWKI-FVJLSDCUSA-N 346.490 4.608 0 50 EJAA Cc1ccc(-c2ccc(C(=O)N[C@H](C)Cc3ccncc3)c(F)c2)cc1 487895286 ZAVDZZKFIGHQLV-MRXNPFEDSA-N 348.421 4.557 0 50 EJAA CC(=Cc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1)c1ccccc1F 1857528749 TZLLWXVVKXRMDR-YOEHRIQHSA-N 330.403 4.688 0 50 EJAA Cc1c(C)c2c(c(C)c1OCC1([C@H]3CCCO3)CC1)CC(C)(C)O2 1875407946 KPFJZOFMJGNWTA-QGZVFWFLSA-N 330.468 4.663 0 50 EJAA CC1(C)Cc2ccccc2C(c2sc3nc4c(cc3c2N)CCC4)=N1 104504 DSGBOHMPWMIUSO-UHFFFAOYSA-N 347.487 4.539 0 50 EJAA Cc1cc(OC(=O)Nc2ccc(F)cc2)c(C)cc1Br 399401 AGKJPJPOFDUVOB-UHFFFAOYSA-N 338.176 4.816 0 50 EJAA Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 425622 YHCGWGABPJXBHI-UHFFFAOYSA-N 335.798 4.521 0 50 EJAA O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 1386391 XCLVRQWGIVGGDE-UHFFFAOYSA-N 342.807 4.646 0 50 EJAA C[C@H]1C(=O)SC2(CCCCC2)N1c1ccc(Br)cc1 2280316 LXEPHCROZKCKJW-NSHDSACASA-N 340.286 4.578 0 50 EJAA O=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)cc1 4003112 CRPAGDMOCFZPKJ-UHFFFAOYSA-N 328.824 4.501 0 50 EJAA Oc1ccccc1-c1cc(-c2ccccc2)nc(N2CCCCC2)n1 4006205 ZBGDVFNQELGJHZ-UHFFFAOYSA-N 331.419 4.507 0 50 EJAA Cc1nc(NCc2ccco2)sc1-c1ccn(-c2ccccc2)n1 12244745 GSUUTKNCJNBONA-UHFFFAOYSA-N 336.420 4.509 0 50 EJAA CC[C@@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 13328972 DEHMRHNQICQUMP-OAHLLOKOSA-N 348.830 4.630 0 50 EJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)CC(=O)N2 17071125 HVLGKKAHRLHWBL-MRXNPFEDSA-N 339.435 4.521 0 50 EJAA Cc1cc(NCc2ccccc2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798787 ZWGSTFWTZFHNGQ-UHFFFAOYSA-N 346.409 4.764 0 50 EJAA Cc1cc(Br)c(C)c(Br)c1Br 65337317 RHEOGFMVFVUFRG-UHFFFAOYSA-N 342.856 4.591 0 50 EJAA in-vitro O=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1CCn1ccnc1 72155899 OTGGQDLEVMTVPU-GOSISDBHSA-N 348.450 4.513 0 50 EJAA Cc1nc(C)c(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)o1 172736548 QPZNCSHATZUWCW-ZDUSSCGKSA-N 335.407 4.717 0 50 EJAA CC(C)COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 390776 TYVZCIVVXQNHMN-UHFFFAOYSA-N 343.814 4.503 0 50 EJAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 474876 PVNZOWGGEVFJFK-SOFGYWHQSA-N 332.230 4.592 0 50 EJAA O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1cccs1 521644 RQHMSZNYEXXTBQ-LBPRGKRZSA-N 344.486 4.863 0 50 EJAA CC[C@](O)(c1ccc(OC)cc1)[C@H](c1ccccc1)c1ccccn1 1608999 AAIGFEFEYXEACA-YADHBBJMSA-N 333.431 4.520 0 50 EJAA biogenic Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1 2748830 NKKCXBGEIIUTCG-UHFFFAOYSA-N 348.427 4.795 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=C[C@H]21 5821091 YOVRGSHRZRJTLZ-JKSUJKDBSA-N 344.451 4.801 0 50 EJAA biogenic Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1C 14257898 CKPQWLICVUPNID-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA COc1ccc(Cl)cc1-c1cc(=O)oc(/C=C/c2ccccc2)n1 19809258 QVEAPUFIRSAQOX-JXMROGBWSA-N 339.778 4.534 0 50 EJAA C[C@@H](O)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859588 YPRJGJFJMZOUSH-MRXNPFEDSA-N 343.426 4.796 0 50 EJAA in-vitro C[C@@H](c1ccc(Br)cc1)N(C(=O)OC(C)(C)C)C1CC1 145995311 JJYALZMUDZLOEN-NSHDSACASA-N 340.261 4.910 0 50 EJAA C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C(F)F)nc1 850452657 PAUFIXGXDDHEFH-GUYCJALGSA-N 348.393 4.750 0 50 EJAA OC1CCC(N[C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 2325720044 HXDMWUWMEMYULD-QKRUXVEJSA-N 328.283 4.523 0 50 EJAA CC1(C)CCC([C@@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 2325842355 VSWSXHPTRPJZNK-QFIPXVFZSA-N 329.528 4.622 0 50 EJAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2C(F)(F)F)no1 621249 QLYRYTTVTAYDLF-UHFFFAOYSA-N 327.306 4.635 0 50 EJAA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 859252 XFNQRQNMVFMIKC-UHFFFAOYSA-N 335.234 4.846 0 50 EJAA COc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 904693 HEJXWWFAUMFHOR-UHFFFAOYSA-N 344.823 4.724 0 50 EJAA C[C@H](O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1740952 NQXWBZZIKKGBLU-VIFPVBQESA-N 325.195 4.691 0 50 EJAA Cc1ccc(C)c(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 39769811 MWYKJAWYUDYBMH-YADHBBJMSA-N 326.528 4.532 0 50 EJAA COc1cccc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)c1 77471828 HTNBVEWTQDFDRW-SFHVURJKSA-N 347.817 4.855 0 50 EJAA CC(C)Sc1cccc(Cl)c1CNC1CCN(C2CC2)CC1 170613401 RFFWOJSWJXYIBN-UHFFFAOYSA-N 338.948 4.557 0 50 EJAA Cc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)o1 239653774 BLHKCRGTBCQZJH-BEFAXECRSA-N 336.416 4.892 0 50 EJAA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cccc(Cl)c2)c1 133539 WNGRPZCGVXHPQN-UHFFFAOYSA-N 331.843 4.963 0 50 EJAA Cc1ccc(C)c(NC(=O)CCCC(=O)Nc2cc(C)ccc2C)c1 143594 JDXQJFJLIGRJGR-UHFFFAOYSA-N 338.451 4.668 0 50 EJAA O=C(OCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 1394143 DXBASFJIFFQITI-UHFFFAOYSA-N 347.292 4.717 0 50 EJAA Brc1c(OCCNC2CCCC2)ccc2ccccc12 2845262 HDAMJFSTYVQHPL-UHFFFAOYSA-N 334.257 4.513 0 50 EJAA O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(Cl)c1 2874420 KXLDMRWUEWXUMW-UHFFFAOYSA-N 335.234 4.846 0 50 EJAA COc1cc2c(cc1NC(=O)Cc1cccs1)oc1ccccc12 4188974 NEQIOMRDCOANNF-UHFFFAOYSA-N 337.400 4.837 0 50 EJAA O=C(Nc1ccc(F)cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 4957801 PJGKZSZFRDCQRL-FQEVSTJZSA-N 331.390 4.770 0 50 EJAA Cc1cc(NCC(C)C)n2nc(C)c(-c3ccccc3Cl)c2n1 7636190 JWOXJNMDXZPOTO-UHFFFAOYSA-N 328.847 4.734 0 50 EJAA Cc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 8738136 SWJSMCOMSAMVEQ-UHFFFAOYSA-N 344.827 4.811 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1cccc(OC[C@H]2CCCO2)c1 10296556 ALAXZPRHGHORDZ-QGZVFWFLSA-N 346.814 4.542 0 50 EJAA Oc1cc(-c2cccs2)cc2c1OCCN(CC1CCCCC1)C2 12219145 TWZNJWJTVVHQLZ-UHFFFAOYSA-N 343.492 4.895 0 50 EJAA S=c1[nH]nc(CSCc2ccccc2)n1CCc1ccccc1 17071480 HFZAAWRMSRLUDQ-UHFFFAOYSA-N 341.505 4.617 0 50 EJAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@@H]1c1ccco1 33012294 UJIMZNZLELWXIH-OAHLLOKOSA-N 342.782 4.565 0 50 EJAA CC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1 64471519 MYCUSSSUVLVCPX-UHFFFAOYSA-N 347.422 4.539 0 50 EJAA Fc1cc(C(F)(F)F)ccc1CN1CCCC[C@H]1c1ccccn1 97698902 OQAHQMZNJIGUGC-KRWDZBQOSA-N 338.348 4.967 0 50 EJAA Cc1cc([C@H]2CCCN2C(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)no1 169986859 UGVKFXFQQIKFEY-WBVHZDCISA-N 345.443 4.518 0 50 EJAA O=C(c1cc2c(ccc3ccccc32)[nH]1)N1Cc2cc(F)c(F)cc2C1 1875340672 MMXIRRNKVBSDQG-UHFFFAOYSA-N 348.352 4.755 0 50 EJAA O=C(Nc1ccc(Cl)c2cn[nH]c12)c1ccc([C@@H]2CC2(F)F)cc1 1875405632 KUMGHJNKAXISAS-LBPRGKRZSA-N 347.752 4.591 0 50 EJAA Cc1cc(C)c(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1C 2325824109 PMDHBJDTJRWRDV-UHFFFAOYSA-N 329.856 4.949 0 50 EJAA CC1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 213203 JWXDAUCRRAYRDS-UHFFFAOYSA-N 339.336 4.538 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)nc1 433812 DSUWJHNGFNVBJP-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA COc1ccc(COc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 522473 XHHHQYWINNGBFG-UHFFFAOYSA-N 344.794 4.651 0 50 EJAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 562763 ULOIHBIBKLJZHH-SECBINFHSA-N 327.783 4.738 0 50 EJAA Cc1c(OC/C=C/c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 1797573 CCQVIULESKKDJJ-RMKNXTFCSA-N 332.399 4.682 0 50 EJAA Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl 2743016 DDOJCQTWRIFLLO-UHFFFAOYSA-N 335.659 4.596 0 50 EJAA CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1 9230568 ICEVJZDJTIOTQD-UHFFFAOYSA-N 344.842 4.506 0 50 EJAA Cc1ccc(NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 13796834 LPSHGOGQVOWRFE-UHFFFAOYSA-N 342.464 4.678 0 50 EJAA COc1cccc([C@H]2CCCCN2C(=O)c2cccc3c2ccn3C)c1 82098523 FEGCVHPAVAKALA-HXUWFJFHSA-N 348.446 4.554 0 50 EJAA CCCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 96026442 TUBRAMWZHKDSJN-INIZCTEOSA-N 344.282 4.864 0 50 EJAA CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@H]2[C@H]1c1cccs1 244734928 NOCGPOGIVZUDDQ-ZOCIIQOWSA-N 327.449 4.550 0 50 EJAA COc1ccc(C(C)=O)cc1CSc1nc2ccccc2s1 88749 OBBVALGISJQYJR-UHFFFAOYSA-N 329.446 4.800 0 50 EJAA Cc1cc2c(cc1C)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 88898 POGXRPWJRVAECM-GFCCVEGCSA-N 348.215 4.679 0 50 EJAA Cc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 96544 KBKSZPSRIFRQJL-UHFFFAOYSA-N 347.443 4.956 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(F)c1 110432 WWSNOEZEDZFVAW-UHFFFAOYSA-N 331.350 4.621 0 50 EJAA Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 172551 BVSXPQLABYPFPX-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA Fc1ccccc1N1CCN(C2CCC(c3ccccc3)CC2)CC1 220354 VXPPFDLJMCMVOV-UHFFFAOYSA-N 338.470 4.674 0 50 EJAA O=C(Nc1scc2c1c(=O)oc1ccccc12)C1CCCCC1 1056637 HZQMHDPBTJRWSO-UHFFFAOYSA-N 327.405 4.527 0 50 EJAA Brc1cccc(Nc2nc(-c3ccncc3)cs2)c1 1123016 WZRWWOINZHAPCU-UHFFFAOYSA-N 332.226 4.711 0 50 EJAA Cc1ccc(NC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 2763224 GHQBPXCHXSSSQX-UHFFFAOYSA-N 340.814 4.537 0 50 EJAA O=C(COc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 2866331 YGZGDXZUVSMODG-UHFFFAOYSA-N 341.410 4.951 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCc2ccccc2C1 4769684 OVBBRARSCRSULW-ZDUSSCGKSA-N 335.234 4.672 0 50 EJAA CCOc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2)n1 4821048 TYUIVUPZRCPNEM-UHFFFAOYSA-N 345.855 4.816 0 50 EJAA Cc1ccc2cccc(OCCOc3ccc(Cl)c(C)c3)c2n1 13285142 DMWKNRLELIZRPJ-UHFFFAOYSA-N 327.811 4.963 0 50 EJAA CCn1c(S)nnc1-c1cc(-c2ccccc2C)nc2ccccc12 17072153 INTCSNUGHYSZGC-UHFFFAOYSA-N 346.459 4.777 0 50 EJAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 20615839 MBGSFOUFFJZJFK-UHFFFAOYSA-N 331.750 4.852 0 50 EJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 242106196 WHULTPQZMBCPJQ-GGOFEBJYSA-N 337.916 4.762 0 50 EJAA Oc1ncc(CN2CCC[C@H]2c2ccc(F)c(F)c2)c2ccccc12 1473168767 RMWVOZLZZQGCNW-IBGZPJMESA-N 340.373 4.556 0 50 EJAA Cc1nnc(SCc2ncoc2C(F)F)n1[C@H]1CCC[C@H](C)C1 1775990968 IIYQJSQDSGOADG-ONGXEEELSA-N 342.415 4.556 0 50 EJAA O=C(CCC1CCCCC1)Nc1ccc(Br)cc1F 311908 WQJKRTWVZBYBRA-UHFFFAOYSA-N 328.225 4.887 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Nc1cc(C)ccc1Cl 399713 BVUMDNXENGOPSA-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA CCOc1cc2oc(C)c(Oc3ccc(F)cc3)c(=O)c2cc1CC 400989 PARKXSCULXDSDP-UHFFFAOYSA-N 342.366 4.994 0 50 EJAA S=C(Nc1ccc2ccccc2c1)Nc1ccc2nccnc2c1 445273 VTEXZMCDILKNFK-UHFFFAOYSA-N 330.416 4.592 0 50 EJAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccs1 452635 JYZIRRPXRGZOES-UHFFFAOYSA-N 333.416 4.852 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Br)cc2F)c(Cl)c1 458357 QTTJJPPEHPOOEW-UHFFFAOYSA-N 342.595 4.802 0 50 EJAA Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCOc1ccccc1 1845143 IYAFFIUNILMTSL-IBGZPJMESA-N 340.854 4.867 0 50 EJAA CC(C)(C)c1csc(NC(=O)CSc2ccc(Cl)cc2)n1 2550619 VAZVAYPGMKIQND-UHFFFAOYSA-N 340.901 4.825 0 50 EJAA COc1cc(C=O)ccc1OCCCOc1cc(C)c(C)cc1Cl 2983675 XMXPIORRLKFWOZ-UHFFFAOYSA-N 348.826 4.626 0 50 EJAA CCN(CC)Cc1ccccc1C(O)(c1ccccc1)c1ccccc1 4833132 OCPVPVQPZYDBTP-UHFFFAOYSA-N 345.486 4.813 0 50 EJAA CC(C)c1ccc(C[C@H]2CCN(Cc3cccc(C(=O)O)c3)C2)cc1 263406894 KEDMUYAYFSHYEK-LJQANCHMSA-N 337.463 4.573 0 50 EJAA COC(=O)c1sc(-c2ccc(Oc3ccc(F)cc3)cc2)cc1N 328579180 YFPPQPUQLBAHRE-UHFFFAOYSA-N 343.379 4.715 0 50 EJAA in-vitro Cc1nn(C(C)(C)C)c(C)c1CNCc1ccccc1-c1ccncc1 360776146 PEFSAEKXZRCAGA-UHFFFAOYSA-N 348.494 4.607 0 50 EJAA CCCOc1ccc(CC(=O)Cc2ccc(OCCC)cc2)cc1 685937777 QRERPGJJAJFIMW-UHFFFAOYSA-N 326.436 4.619 0 50 EJAA CC(C)Cn1ccc2c(C(=O)N[C@]3(C)CCC(C)(C)C3)cccc21 1875357413 FWTGADYQXDBBHL-OAQYLSRUSA-N 326.484 4.996 0 50 EJAA CCOc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 37387 XGHKWZSARVKCCU-UHFFFAOYSA-N 345.398 4.962 0 50 EJAA biogenic,in-vitro CC(C)(C)c1ccccc1NC(=O)c1ccccc1Br 465842 SOOZXSWVIVMZLE-UHFFFAOYSA-N 332.241 4.999 0 50 EJAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 613878 BUDRSCPLGOQSJR-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA O=C(c1ccccc1)N(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 4020395 QUVSDQMSXPVLJB-YADHBBJMSA-N 327.427 4.885 0 50 EJAA CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 4579163 AJAHXBHUQRMZKI-OWXZVYGXSA-N 330.431 4.830 0 50 EJAA c1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1 4820755 OFVANNGZTKJBLV-UHFFFAOYSA-N 341.414 4.943 0 50 EJAA COc1ccc(-n2c([C@H]3C[C@H]3c3ccc(C)cc3)n[nH]c2=S)cc1 6533828 SQYRRWLGSBFELZ-IRXDYDNUSA-N 337.448 4.518 0 50 EJAA CC(C)c1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1 17071595 MJEBOHUCBFXQIN-UHFFFAOYSA-N 342.489 4.722 0 50 EJAA Cc1cccc(-c2cc([C@@H]3CCN(Cc4ccco4)C3)ccn2)c1C 65435217 WJVKPOABYFOFLV-LJQANCHMSA-N 332.447 4.948 0 50 EJAA CCC[C@H](O)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95726707 ZEPXGQZTNGWWTF-AWEZNQCLSA-N 327.468 4.667 0 50 EJAA in-vitro c1ccc(OCCSc2nnc(-c3cc4ccccc4o3)o2)cc1 196219044 WOIWRQRFARHFFB-UHFFFAOYSA-N 338.388 4.654 0 50 EJAA COCc1cccc(C(=O)Nc2ncc(-c3ccccc3C)s2)c1 225449501 HZSCVULTIDTEFO-UHFFFAOYSA-N 338.432 4.517 0 50 EJAA c1ccc(-c2cccc3c2OCC[C@@H]3NCc2cnc(C3CC3)[nH]2)cc1 2325788797 GJDDOBZVAUFOHI-FQEVSTJZSA-N 345.446 4.568 0 50 EJAA CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1ccc(C)cc1O 211516 PKYPEPKYXSPHNV-HXUWFJFHSA-N 339.479 4.871 0 50 EJAA O=C(Nc1cccc(Br)c1)Oc1cccc2cccnc12 398120 BCEKERQOLLFFIM-UHFFFAOYSA-N 343.180 4.608 0 50 EJAA O=C1c2ccccc2CC[C@@H]1CSc1ccc(Br)cc1 403766 NHWMBAYJIOSZGI-CYBMUJFWSA-N 347.277 4.987 0 50 EJAA O=C(NC1C2CC3CC(C2)CC1C3)C(c1ccccc1)c1ccccc1 1218893 AGQZIOXQNCFNNY-UHFFFAOYSA-N 345.486 4.759 0 50 EJAA Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c1C 2924026 KWQAKPOIDLHATI-KRWDZBQOSA-N 334.246 4.758 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1Br 2949419 XCNTYJGPKYNRPE-UHFFFAOYSA-N 348.240 4.663 0 50 EJAA CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@@H]2c2c1ccc1ccccc21 4580284 VAZRPGPBFIBQRT-FKKIBWROSA-N 335.447 4.763 0 50 EJAA CCn1c([C@@](O)(c2ccccc2)c2ccc(C)cc2)nc2ccccc21 4608206 XZVPEFKOEJTHHP-HSZRJFAPSA-N 342.442 4.649 0 50 EJAA O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Cl)ccc1O 12958890 ZTCLGWOPHBAXJC-SDQBBNPISA-N 339.700 4.557 0 50 EJAA Clc1cccc(OCc2csc([C@@H]3CCCO3)n2)c1Cl 124512372 IBOHFTLSFUBXPZ-LBPRGKRZSA-N 330.236 4.880 0 50 EJAA Cc1noc(C(C)C)c1NC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 932872766 HXNCTGIFMSCAAO-HNNXBMFYSA-N 349.381 4.754 0 50 EJAA CSc1ccc2c(C)cc(N[C@@H](c3nccn3C)C3CC3)nc2c1 1704355976 USWRXAKHRXSJNX-GOSISDBHSA-N 338.480 4.562 0 50 EJAA C[C@]1(C(F)F)C[C@@H]1C(=O)N[C@H](Cc1ccccc1)c1ccccc1F 1875335739 FNGPFVNXLZIWFY-MDYRTPRTSA-N 347.380 4.517 0 50 EJAA COc1ccccc1-c1ccc([C@H](C)NCCCC(C)(C)N)cc1 2325793536 YZVRCVPTXYOQGX-INIZCTEOSA-N 326.484 4.530 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)ccc1C 399903 ADQBHOOLSHJNPT-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA CC(C)OC(=O)c1sc2cc(Br)ccc2c1Cl 474412 XSCJABVVQXSVGS-UHFFFAOYSA-N 333.634 4.882 0 50 EJAA O=C(NC(=S)Nc1ccccc1Oc1ccccc1)c1ccccc1 1403595 GDAQUPFRMCHOGG-UHFFFAOYSA-N 348.427 4.606 0 50 EJAA Cc1cc(OC/C=C/c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 1797602 HRNDRAPGWALRNN-RMKNXTFCSA-N 332.399 4.682 0 50 EJAA biogenic CCCCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 2882559 RHRZZAPYAUJHEH-UHFFFAOYSA-N 342.468 4.505 0 50 EJAA biogenic COC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 5275756 JVICPCDJSHXXNQ-ILLNNANOSA-N 348.527 4.977 0 50 EJAA Cc1cc(O)cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c12 5730270 PYQVOHMOWRGDAE-UHFFFAOYSA-N 336.265 4.618 0 50 EJAA C[C@H](Oc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 6729344 SWYRRNWLPKTVLS-NSHDSACASA-N 345.196 4.639 0 50 EJAA CCc1nn2c(-c3ccccn3)ccnc2c1-c1cccc(Cl)c1 71384920 OFHMEJJQSHNGRD-UHFFFAOYSA-N 334.810 4.674 0 50 EJAA O=C(c1c(F)cccc1F)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71748320 JMYRIVDFKAPUCF-HNNXBMFYSA-N 347.380 4.589 0 50 EJAA CCOc1ccc2nc(SNC[C@@H]3C[C@H]4CC[C@H]3C4)sc2c1 101360792 KDAYIEQJYJPJGU-AVGNSLFASA-N 334.510 4.728 0 50 EJAA Cc1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@H]2c1ccc2c(c1)OCO2 245377368 KCUMDOBAIIFHQY-XUWXXGDYSA-N 328.433 4.931 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c1C 333830859 LFGDFHYRGBHSRM-QAPCUYQASA-N 346.519 4.985 0 50 EJAA C[C@@H]1[C@H](C(=O)Nc2cccc(Oc3ccncc3)c2)[C@H]1c1ccccc1 430556554 UUMUHABJPQAEHW-RVHYNSKXSA-N 344.414 4.862 0 50 EJAA CC(C)n1cc(Nc2ncnc3sc(-c4ccccc4)cc23)cn1 727433445 XUWPUHYYLOMBOQ-UHFFFAOYSA-N 335.436 4.879 0 50 EJAA CCC(CC)n1nccc1NC(=O)c1cc2c(Cl)cccc2[nH]1 1529146504 QBFCGANURDYKGU-UHFFFAOYSA-N 330.819 4.631 0 50 EJAA Fc1ccccc1Cn1ccc2ccc(N[C@@H]3CCn4ccnc43)cc21 1875408134 PCHBMSWZEALECK-LJQANCHMSA-N 346.409 4.582 0 50 EJAA Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)c1 46581 TXPDOFGXALFOGI-UHFFFAOYSA-N 334.415 4.868 0 50 EJAA Cc1cc(OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 455307 DPJSOEUDQLBXEU-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA CCn1c(SCc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 523643 SCSOJEYGRQCJES-UHFFFAOYSA-N 348.468 4.526 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1 1753461 COKIQUCBLZFZSE-UHFFFAOYSA-N 340.423 4.850 0 50 EJAA COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 2622531 FRYUZVLZYUVMIH-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1 4857064 AWAZGJMDFCERPD-UHFFFAOYSA-N 341.304 4.884 0 50 EJAA Cc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccccc3F)C2)c1 19743167 FCIQPZVSSWDDOP-SFHVURJKSA-N 349.453 4.904 0 50 EJAA Cc1ccc([C@@H](C)Nc2cc(-c3ccccc3)nc3cc(C)nn23)nc1 72427902 VJEILLWMHLEPNV-MRXNPFEDSA-N 343.434 4.581 0 50 EJAA CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCCCN)CCC[C@@]21C 101173285 IVASDPGLHXNPTQ-ZLNRFVROSA-N 342.571 4.759 0 50 EJAA CC(C)c1nc2ccc(N[C@H](c3cccnc3)c3ncc[nH]3)cc2s1 195107434 MEZONYMEABUXDJ-QGZVFWFLSA-N 349.463 4.739 0 50 EJAA Cc1cc(C)c2c(n1)CCC[C@H]2NCc1cnc2c(F)cccc2c1 2325783535 FAYFDZYQKOIFSK-GOSISDBHSA-N 335.426 4.553 0 50 EJAA CCC1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 277209 YHJUOURWLCPAQG-UHFFFAOYSA-N 340.433 4.796 0 50 EJAA COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2C)cc1C 366325 IBCMAVWHOAARKG-UHFFFAOYSA-N 331.843 4.927 0 50 EJAA Cc1cc2nc(NC(=O)Nc3cc(F)ccc3F)sc2cc1C 399399 BRPAEYNHPCERIT-UHFFFAOYSA-N 333.363 4.835 0 50 EJAA Cc1cccc(C)c1NC(=O)/C=C/c1ccc(Br)cc1 476638 CLGNLOWUFHRXAL-DHZHZOJOSA-N 330.225 4.718 0 50 EJAA Cc1cc(N2CCCCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 3029591 DXOOKTOBGIHYQF-UHFFFAOYSA-N 340.858 4.657 0 50 EJAA O=C1CCN(C(=O)c2ccc(Cl)cc2)c2cc3ccccc3cc21 4071059 CAGPERBEPLUXOK-UHFFFAOYSA-N 335.790 4.726 0 50 EJAA Fc1ccc([C@@H]2CCCCN2Cc2cc(-c3ccncc3)no2)cc1 244723525 MDFOIGYZHRNVPF-FQEVSTJZSA-N 337.398 4.603 0 50 EJAA Cc1ccc(-c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3)on2)cc1 1775975340 ACUZEQPBWILNMB-DLBZAZTESA-N 336.366 4.531 0 50 EJAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1 146655 KSMHIZURHCWMKF-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA COc1ccc([C@@H](NC(=S)Nc2ccccc2)c2ccccc2)cc1 450465 XSRLWYZJWWXFDG-FQEVSTJZSA-N 348.471 4.771 0 50 EJAA COc1cccc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 618554 BIWSXNCGUGPQBE-UHFFFAOYSA-N 327.236 4.811 0 50 EJAA Cc1cccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1C 1227451 BXEMRINTFXLYAF-UHFFFAOYSA-N 348.412 4.644 0 50 EJAA CCc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 4868718 LGSGBPFEGNTXLM-UHFFFAOYSA-N 332.241 4.881 0 50 EJAA C[C@H](NCCC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1 6260421 BKUWJLSGSGRXBD-YADARESESA-N 345.486 4.920 0 50 EJAA Cn1cc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)c2ccccc21 77452280 WHUIVAOLGBGKEO-IBGZPJMESA-N 336.410 4.685 0 50 EJAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32C=C(O)CCC2)cc1 100671109 PCKAMFUEEURWNF-IFMALSPDSA-N 346.430 4.861 0 50 EJAA Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)no1 169986865 UGVKFXFQQIKFEY-RDJZCZTQSA-N 345.443 4.518 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)o1 238924297 RTUWINGCZGTOEZ-RXVVDRJESA-N 330.387 4.830 0 50 EJAA Cc1ccn(-c2cccc(N[C@H]3CCC[C@@H](c4cccnc4)C3)c2)n1 2325700450 SNYSZLRMDFUVBR-MJGOQNOKSA-N 332.451 4.714 0 50 EJAA C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 261260 ULHXHRCKAFMMRL-RISCZKNCSA-N 348.229 4.677 0 50 EJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCCC1 304228 OHIZQTZEWQPDFZ-UHFFFAOYSA-N 339.222 4.629 0 50 EJAA Cc1ccc(Nc2nc([C@@]3(C)C[C@@H](C(C)C)C(=O)O3)cs2)cc1 345731 GZCFSMSWTAJCGE-KBXCAEBGSA-N 330.453 4.629 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1Cl 459432 GCVLORIGIGNJIN-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA CC(C)[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 462344 RPZJTONLJNQUDK-MRXNPFEDSA-N 332.241 4.576 0 50 EJAA O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 572098 XFHBGRLWRWHYGN-UHFFFAOYSA-N 343.593 4.687 0 50 EJAA O=C(CCNc1ccc(F)c(F)c1F)c1ccc2ccccc2c1 732263 GHAYEFNMOQQNKI-UHFFFAOYSA-N 329.321 4.942 0 50 EJAA c1ccc(C(CN2CCN(c3ccccc3)CC2)c2ccccc2)cc1 1228012 ABLNRIRPRBZRIC-UHFFFAOYSA-N 342.486 4.641 0 50 EJAA Cc1[nH]c(C=O)c(C)c1CCCCCCc1c(C)[nH]c(C=O)c1C 2024939 SMMZGCDZFRXYLW-UHFFFAOYSA-N 328.456 4.547 0 50 EJAA Oc1ccccc1-c1cc(-c2ccccc2O)nc(-c2ccccc2)n1 3075246 IOGNJAKULBEEEN-UHFFFAOYSA-N 340.382 4.889 0 50 EJAA CCCC[C@@H](CC)C(=O)O[C@H](C)C(=O)N(CCCC)CCCC 4428342 KMCZEAHLLDORIG-IAGOWNOFSA-N 327.509 4.563 0 50 EJAA Cc1nc(Cl)nc(Sc2nc3ccccc3s2)c1Cl 6469893 RXXQGAHCPJTESC-UHFFFAOYSA-N 328.249 4.853 0 50 EJAA CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 12404137 OXQCMGSNVYSAQX-UHFFFAOYSA-N 345.830 4.514 0 50 EJAA CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C 13760825 PGTVWKLGGCQMBR-HNABIGDDSA-N 332.528 4.985 0 50 EJAA in-vitro Cc1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)cc1 15839750 KEDMVXQZYVXQRY-NRFANRHFSA-N 330.431 4.526 0 50 EJAA CNC(=O)c1cccc(NCc2ccc(-c3ccccc3Cl)o2)c1 158027218 QOECPJRIMXQKEK-UHFFFAOYSA-N 340.810 4.572 0 50 EJAA Cc1nc2ccccc2nc1NC[C@H]1CCCO[C@@H]1c1ccccc1 170593760 NAHQSVSQWIZWNM-YLJYHZDGSA-N 333.435 4.518 0 50 EJAA Clc1cccc(Cl)c1[C@@H](NCc1nccn1C1CC1)C1CC1 894533897 AKYOKAKMNOZBSC-KRWDZBQOSA-N 336.266 4.766 0 50 EJAA Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)ccc1Cl 455400 IILBRWASGUJDAO-UHFFFAOYSA-N 329.827 4.545 0 50 EJAA CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@H]2c2c1ccc1ccccc21 4580282 VAZRPGPBFIBQRT-HKACETBDSA-N 335.447 4.763 0 50 EJAA O=c1nc(-c2ccccc2)cc(-c2ccccc2)n1Cc1ccccc1 5482918 MBTGYNDCXCLLNI-UHFFFAOYSA-N 338.410 4.626 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCCC2)cc1 10367092 JXFAVVDXZMRUTB-UHFFFAOYSA-N 342.870 4.887 0 50 EJAA Cc1ccc(-c2cccc(-c3ccn(CCc4ccccc4)n3)c2)nn1 20820714 FUZCFDWHTIHUIQ-UHFFFAOYSA-N 340.430 4.558 0 50 EJAA Cc1nc2ccccc2nc1NC[C@H]1CCCO[C@H]1c1ccccc1 170593762 NAHQSVSQWIZWNM-XLIONFOSSA-N 333.435 4.518 0 50 EJAA Cc1nc(C)c(CN[C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)s1 225714647 XRWMSIGEGSBDFK-KPXOXKRLSA-N 326.918 4.757 0 50 EJAA COc1ccc(-c2ccc(C(=O)N3CC[C@H]3c3cccs3)o2)cc1 824689328 VZHLXUBHJMUDSR-HNNXBMFYSA-N 339.416 4.604 0 50 EJAA COC(=O)[C@@H](C(=O)Nc1cccc2ccccc12)C1CCCCCC1 472395 PGEXNOZDJILLRN-LJQANCHMSA-N 339.435 4.538 0 50 EJAA COc1ccc(OCCCC(=O)Nc2ccc(C(C)C)cc2)cc1 1778183 HZYXIYVBXJURIR-UHFFFAOYSA-N 327.424 4.616 0 50 EJAA Clc1ccc(CSc2ncn(-c3ccccc3)n2)cc1Cl 5063221 NDLGVHPCGFIRTI-UHFFFAOYSA-N 336.247 4.866 0 50 EJAA Cc1c([C@H](C)NCc2ccccc2Cl)cnn1-c1ccccc1 12704489 GWLTYQRVWIREDS-AWEZNQCLSA-N 325.843 4.685 0 50 EJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 25581591 MVCYJMNPXVHRCD-FPOVZHCZSA-N 336.435 4.611 0 50 EJAA Cc1cscc1NC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 124373338 BRXHLEWPFAAUMV-SNVBAGLBSA-N 328.359 4.958 0 50 EJAA FC1(F)CCCN(c2c(Br)cccc2C(F)(F)F)C1 169725664 OOHPIFSBLKDBLB-UHFFFAOYSA-N 344.121 4.703 0 50 EJAA CS(C)(=O)=Nc1cccc(OCc2cscc2C(F)(F)F)c1 1875291159 PUYCGVMLYIPXAJ-UHFFFAOYSA-N 349.399 4.705 0 50 EJAA CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 114941 DQCZCIOEXSBBNB-ACJLOTCBSA-N 330.453 4.774 0 50 EJAA biogenic Cc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1 275580 YTWCCYUGUMWUDH-UHFFFAOYSA-N 340.430 4.922 0 50 EJAA Clc1ccccc1COc1ccc(CNCc2cccnc2)cc1 359786 LOFGWTPBRXHTFV-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 514285 ICSHMGSVEUABOZ-UHFFFAOYSA-N 337.444 4.771 0 50 EJAA Cc1nc2ncccn2c1-c1csc(Nc2ccc(Cl)cc2)n1 1065910 NAIFKGCRLXUVSL-UHFFFAOYSA-N 341.827 4.558 0 50 EJAA O=c1oc2cc(O)ccc2c(Cc2ccccc2)c1-c1ccccc1 1081532 UDGDPGYTQSJHSS-UHFFFAOYSA-N 328.367 4.756 0 50 EJAA biogenic,in-vitro Cc1c(C(=O)Nc2cccc(Br)c2)oc2ccccc12 1103540 PHLUITPGJMBLCX-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA Oc1ccccc1-c1nc(Nc2ccccc2F)c2ccccc2n1 1246930 WXRFHQWFZXASFB-UHFFFAOYSA-N 331.350 4.885 0 50 EJAA CSc1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 3908272 BJHTUDPMYXFEJU-UHFFFAOYSA-N 344.823 4.969 0 50 EJAA O=C(CSc1ccc2ccccc2n1)Nc1cccc(Cl)c1 5627438 FGCPBGUDFFFCPS-UHFFFAOYSA-N 328.824 4.619 0 50 EJAA COc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 16975695 POYPJVRQQJAEAA-UHFFFAOYSA-N 340.448 4.855 0 50 EJAA c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19359485 KUAJKNGLESWEFE-UHFFFAOYSA-N 342.486 4.594 0 50 EJAA O=C(Nc1cccc(CN2CCCCC2)c1)N1CC[C@@H]1c1ccccc1 47852314 HHLCHWCEVUYATN-OAQYLSRUSA-N 349.478 4.651 0 50 EJAA CC(C)Oc1ccc([C@H](O)[C@H](C)NCCCCc2ccccc2)cc1 71769680 QDKRPNIRRVUUQY-PGRDOPGGSA-N 341.495 4.508 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@H]2c2ccsc2)c1C 331526735 GRNFKSYLOVJRNU-WBMJQRKESA-N 332.473 4.593 0 50 EJAA Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2ccccc2o1 444346 HYQNZNCSXLTAQT-UHFFFAOYSA-N 342.398 4.984 0 50 EJAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1Cl 449762 JCBCPLKXVZXXGC-UHFFFAOYSA-N 340.835 4.620 0 50 EJAA CC1=CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4S3)c3cc(C)cc1c32 537063 PVOUHWGHLQPKJU-NRFANRHFSA-N 348.471 4.908 0 50 EJAA CCc1cc(=O)oc2cc(C)cc(OCc3ccc(F)cc3F)c12 616685 NQUHZXQEOHCVQU-UHFFFAOYSA-N 330.330 4.521 0 50 EJAA Cc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1 2852394 LFAPRQURUBWQAC-UHFFFAOYSA-N 340.473 4.849 0 50 EJAA Cc1cccc(OCCOC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2983175 YODZYEOFOUQSRF-UHFFFAOYSA-N 340.206 4.929 0 50 EJAA Cc1cc(OCc2ccc(Cl)cc2)c2c3c(c(=O)oc2c1)CCC3 4746075 CGAAABHGVFGWNH-UHFFFAOYSA-N 340.806 4.823 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(F)cc1 4956943 KWVMEVWMIONBBS-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA Cc1cc(Cl)c2oc(C(=O)N[C@H](C)c3c(C)n[nH]c3C)c(C)c2c1 12715283 GVFONFJNOYGGJB-SNVBAGLBSA-N 345.830 4.534 0 50 EJAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)oc1C 65505594 NPBVGQCLKLBISJ-UHFFFAOYSA-N 329.403 4.870 0 50 EJAA O=C(Nc1ccccc1)N1CCC[C@@H]1c1ccccc1Br 86990081 GYEZFCLAZSQOSX-MRXNPFEDSA-N 345.240 4.818 0 50 EJAA FC(F)(F)Cc1ccc(NCc2csc([C@@H]3CCCO3)n2)cc1 134862970 BFWWURMCENOFIH-AWEZNQCLSA-N 342.386 4.712 0 50 EJAA CC(C)c1ccc2c(c1)[C@@H](N[C@@H](c1cccnc1)c1ncc[nH]1)CCC2 358967489 SUPKFRGANSKXBB-SFTDATJTSA-N 346.478 4.685 0 50 EJAA Cc1cnc(CCCc2nc(-c3c(Cl)cccc3Cl)no2)o1 453031162 WWLVNPMWTZACSL-UHFFFAOYSA-N 338.194 4.515 0 50 EJAA CN(Cc1cc(O)ccc1Cl)Cc1c(Cl)cccc1Cl 1190560518 LEKPMTXLRGYTBT-UHFFFAOYSA-N 330.642 4.984 0 50 EJAA FC(F)(F)c1ccc2nnc(-c3cccc(Cl)c3Cl)n2c1 77484 MFIXNLIAXWEBMU-UHFFFAOYSA-N 332.112 4.722 0 50 EJAA Cc1cccc(C)c1Nc1ncnc2ccc(Br)cc12 120521 YUOOTKNNTOSTNZ-UHFFFAOYSA-N 328.213 4.753 0 50 EJAA Cc1cccc(C(=O)Nc2nc3ccc(Br)cc3s2)c1 126814 AXTVOEKIJDGCJX-UHFFFAOYSA-N 347.237 4.620 0 50 EJAA Cc1ccn2c(NC(=O)c3ccccc3)c(-c3ccccc3)nc2c1 194648 TVEJADDGLWMDOY-UHFFFAOYSA-N 327.387 4.562 0 50 EJAA COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2C)cc1 274505 QWLOALQVWNXERY-UHFFFAOYSA-N 340.404 4.569 0 50 EJAA S=C(NCc1cccc(Oc2ccccc2)c1)Nc1ccccc1 313975 DJBBSXCCLYXILG-UHFFFAOYSA-N 334.444 4.966 0 50 EJAA Cc1cc(C)c(OCC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1 1061460 OHCVPDRUUWWRJO-UHFFFAOYSA-N 340.448 4.547 0 50 EJAA COc1ccc(CCNC2CCC(c3ccccc3)CC2)cc1OC 5720783 GBWJCEFSOZKBBD-UHFFFAOYSA-N 339.479 4.562 0 50 EJAA CCOc1cccc(N[C@H](c2cccc(C)c2)P2(=O)OCCO2)c1 22017811 VDRKNTSKPCQLPO-SFHVURJKSA-N 347.351 4.744 0 50 EJAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@H]1c1ccco1 33012295 UJIMZNZLELWXIH-HNNXBMFYSA-N 342.782 4.565 0 50 EJAA Nc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccc2)n1 71770957 FFRSJKVTOAHAPN-UHFFFAOYSA-N 327.840 4.672 0 50 EJAA CCn1nc(C(C)C)cc1C(=O)Nc1ccc2c(c1)cc(C)n2CC 823599151 ZDKLHDGJGHKTOZ-UHFFFAOYSA-N 338.455 4.562 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(F)n1 1188713110 PRTFNIHFJYETJA-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA COc1ccccc1-c1ccc(N[C@H](CC(C)C)c2cccnc2)nn1 1529189686 UQQOVCZJIRIPIP-LJQANCHMSA-N 348.450 4.747 0 50 EJAA CCCN(Cc1cccc(O)c1F)Cc1c(F)cccc1Cl 1875342341 LXQJLWBZYBKYQQ-UHFFFAOYSA-N 325.786 4.736 0 50 EJAA Cc1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(C)c3)cc2)c1 58785 BNORHLGTBIWNCL-UHFFFAOYSA-N 346.382 4.742 0 50 EJAA Cc1cc(OC(=O)c2ccc(Br)cc2)ccc1Cl 149548 UTPPKSIMXIBDIF-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 455269 DJAATXDPYHQZSA-UHFFFAOYSA-N 342.197 4.929 0 50 EJAA CC(=O)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 1400599 HDSCHJNGKBPWGR-UHFFFAOYSA-N 338.716 4.900 0 50 EJAA Cc1ccc(C(=O)Oc2cc3c4c(c(=O)oc3cc2C)CCCC4)cc1 4810458 KBMFUDUVUGFBMN-UHFFFAOYSA-N 348.398 4.508 0 50 EJAA Cc1cccc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c1C 5730733 NMOFTYLBXGDJGZ-UHFFFAOYSA-N 329.403 4.894 0 50 EJAA aggregator Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)c1 8022200 WJNMJPULPYMQPV-UHFFFAOYSA-N 348.450 4.568 0 50 EJAA COc1cccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)c1 10383631 ANXWATSRQDMCSO-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 12846413 GEUCYEGKZWPFIO-JTQLQIEISA-N 339.222 4.663 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1[C@@H](C)CCC[C@H]1C 18164067 OVSIHFXJPAGPAX-TXEJJXNPSA-N 332.831 4.707 0 50 EJAA CC[C@H](O)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 95726672 ISBQGIMPMGWASY-KRWDZBQOSA-N 343.426 4.796 0 50 EJAA in-vitro O=C(Nc1ccccc1F)N1CCC(Oc2ccccc2Cl)CC1 152505160 JDULEGCJFCVTLJ-UHFFFAOYSA-N 348.805 4.554 0 50 EJAA Cc1nc(C(C)C)sc1CNC(=O)CCSCc1ccccc1 299787845 XXJORFINVAQORZ-UHFFFAOYSA-N 348.537 4.515 0 50 EJAA Cc1ccccc1[C@]1(O)CCN(c2cc(C)c3ccc(C)c(C)c3n2)C1 1704344449 QJCNSAVFCWCPEV-QHCPKHFHSA-N 346.474 4.566 0 50 EJAA O=C(O)c1ccc(-c2ccc(-c3cccc4c3OCCCO4)cc2)cc1 1875335116 SQCMQNFSJFLTJG-UHFFFAOYSA-N 346.382 4.880 0 50 EJAA c1ccc(CCN(CCc2ccccc2)C[C@H]2CCCCCO2)cc1 1875344594 MHXZQMMSOPHLOX-HSZRJFAPSA-N 337.507 4.733 0 50 EJAA O=C1CCc2cc(-c3ccc(C(F)F)c(F)c3)cc3c2N1CCC3 2325776534 WBQMTURXHCRFCP-UHFFFAOYSA-N 331.337 4.656 0 50 EJAA Cc1ccc(C)c(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1 197439 RBEZTICRJDPDEY-SFHVURJKSA-N 344.458 4.884 0 50 EJAA COc1ccc(C(=O)[C@H](CN2CCCCCC2)c2ccccc2)cc1 346093 VDCMKHLWMWUXBT-OAQYLSRUSA-N 337.463 4.538 0 50 EJAA Cc1cccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)c1 434159 NDADPVBCLXUPGM-UHFFFAOYSA-N 342.398 4.984 0 50 EJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1 477190 NQVSQHLBPIOUNS-HNNXBMFYSA-N 347.462 4.770 0 50 EJAA COc1cc(NC(=O)c2oc3ccccc3c2C)c(OC)cc1Cl 3459111 YDEXTBALKXXUFF-UHFFFAOYSA-N 345.782 4.664 0 50 EJAA O=C(O)COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 4028226 IUZPOFVYQIAPHI-VXIWKAIFSA-N 342.435 4.507 0 50 EJAA biogenic O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1cccc(Cl)c1 8160828 WBNDPUFLLKDBBZ-QGZVFWFLSA-N 346.814 4.542 0 50 EJAA COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)C=CC(C)(C)O2 13108265 DPAGRPSAFDXQDN-UHFFFAOYSA-N 334.371 4.653 0 50 EJAA biogenic,in-vitro C[C@@H]1C[C@@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 170620589 KXRCRNJZKXINSK-SJORKVTESA-N 335.532 4.789 0 50 EJAA Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1C 170623534 HEROVLSUZRABDQ-DGCLKSJQSA-N 326.387 4.639 0 50 EJAA CC(C)c1cccc(C(C)C)c1NC(=S)N[C@@H](C)c1csnn1 840864064 SBYFNCCCPDXKJD-LBPRGKRZSA-N 348.541 4.833 0 50 EJAA CCC(CC)[C@H]1CCN([C@H](C(=O)O)c2ccc(C(F)(F)F)cc2)C1 1875282404 CDXGTKLKLNIYCR-HOCLYGCPSA-N 343.389 4.589 0 50 EJAA O=C(OC1CCCCC1)c1ccc(NC(=O)C2CCCCC2)cc1 112156 PAEBNEQLSFRKPA-UHFFFAOYSA-N 329.440 4.695 0 50 EJAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccccc3)nc2c1 135768 QCWQCPXWXQETCT-PKNBQFBNSA-N 330.343 4.740 0 50 EJAA COc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 296780 BBANVDKNMTWWBS-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA O=C(COC(=O)c1ccc(F)cc1)c1ccc(C2CCCCC2)cc1 309426 BEUZQHHXEBPPRC-UHFFFAOYSA-N 340.394 4.913 0 50 EJAA CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 434517 MRDKDDFNNDNIIG-GFCCVEGCSA-N 333.840 4.662 0 50 EJAA Cc1ccc(-c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)o2)cc1 444742 CMMBMATXTZGUGB-QGOAFFKASA-N 329.355 4.600 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 3612379 GAEAWWVWZCOJQU-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA CCN(CC)CCN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 19635879 SKPFUVZDQFUNQR-UHFFFAOYSA-N 348.575 4.761 0 50 EJAA O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(Cl)cc1 36620879 JTVCPBPTRXVUID-MRXNPFEDSA-N 336.769 4.987 0 50 EJAA OCC[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 43215039 CNCMDTWAHPBVCK-HSZRJFAPSA-N 331.459 4.813 0 50 EJAA FC(F)(F)Oc1cc(Br)cc(OCc2ccccc2)c1 65337253 ZVKREHXYXUPPEJ-UHFFFAOYSA-N 347.130 4.927 0 50 EJAA in-vitro CC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91325924 QZILXEACQZFXAB-SFHVURJKSA-N 335.451 4.711 0 50 EJAA COc1ccccc1-c1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1 109454646 CVJOQUNSFFYPLU-GJZGRUSLSA-N 326.783 4.670 0 50 EJAA Cc1ccccc1[C@H](Sc1nc(CO)cs1)c1ccccc1 1307404887 YSARPPOFCICWRT-QGZVFWFLSA-N 327.474 4.826 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 172798 MCOVQMHCJUUZMM-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA CCOC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc12 307294 YNVPNAKUHCVQSM-UHFFFAOYSA-N 349.386 4.627 0 50 EJAA Cc1c(F)cccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 366304 OFGVUGPAMUIZSE-SNVBAGLBSA-N 342.197 4.847 0 50 EJAA C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1c(F)cccc1Cl 476489 GMWHDGRCVUGDSJ-FNDVETGQSA-N 331.818 4.630 0 50 EJAA Cc1ccccc1C(=O)Oc1c(-c2ccco2)oc2ccccc2c1=O 1972146 WSGSZDFXOIFJPC-UHFFFAOYSA-N 346.338 4.581 0 50 EJAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccccc2)c1C 2761866 BANARKYEFBYCBI-UHFFFAOYSA-N 334.423 4.501 0 50 EJAA CCc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 2813562 XAMABYFLXPTALU-HOTGVXAUSA-N 334.246 4.775 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 4176603 RDWVAWGIWUTCSH-RBBKRZOGSA-N 341.414 4.632 0 50 EJAA CCC/C(=C\c1ccc(Cl)cc1)C(=O)c1c(C)cc(C)[nH]c1=O 4955524 MFLKOPPGVUEJJJ-RVDMUPIBSA-N 329.827 4.712 0 50 EJAA CC(=O)O[C@@H](c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 5438128 FSGNOVKGEXRRHD-VIFPVBQESA-N 336.429 4.968 0 50 EJAA Nc1cc(-c2sc3ccccc3c2Cl)nn1-c1ccccc1 43573945 MCLQRRLJQDRQFL-UHFFFAOYSA-N 325.824 4.990 0 50 EJAA Cc1cn(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)c(C)n1 67847644 LYOAUTUEWRRDOA-UHFFFAOYSA-N 335.329 4.530 0 50 EJAA CCCCc1nc(CN2CCC[C@H]2c2nc3ccccc3s2)c[nH]1 77318849 ZKGCEVKCDLQJMU-INIZCTEOSA-N 340.496 4.699 0 50 EJAA c1ccc2c(c1)sc1c(CN3CCC(c4nc[nH]n4)CC3)cccc12 829078390 XJSVSOIKSRQWGF-UHFFFAOYSA-N 348.475 4.552 0 50 EJAA c1ccc(-c2nnc3c4c5c(sc4ncn23)CCCCCC5)cc1 1772493174 FFKVNOQSAIHGIB-UHFFFAOYSA-N 334.448 4.665 0 50 EJAA Oc1nc([C@@H]2CCCCO2)nc2scc(-c3ccccc3Cl)c12 1775985071 RFQIFUFNVMNYKF-ZDUSSCGKSA-N 346.839 4.959 0 50 EJAA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1 88659 VSMTYFGKSXALKS-UHFFFAOYSA-N 334.853 4.681 0 50 EJAA CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 122642 SUNODXREKFOAAO-UHFFFAOYSA-N 346.858 4.512 0 50 EJAA COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 189799 JILUHHJIYWCZAF-UHFFFAOYSA-N 336.265 4.613 0 50 EJAA biogenic c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 221598 ANYBMXYKWKYTSX-UHFFFAOYSA-N 344.443 4.622 0 50 EJAA CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 432530 JXTUINJXVMOTNC-OAQYLSRUSA-N 344.414 4.856 0 50 EJAA CC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1 613344 FTZINVFVENCLEX-UHFFFAOYSA-N 329.450 4.830 0 50 EJAA Cc1ccc(N2C(=O)S[C@H](Nc3ccc(C)c(Cl)c3)C2=O)cc1 1187362 KFDRCKTXONIXFY-HNNXBMFYSA-N 346.839 4.595 0 50 EJAA CCCCOc1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1 1771151 QRWJYVDTXUJVSV-OVCLIPMQSA-N 339.435 4.916 0 50 EJAA CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)cc2)CC1 2750312 ULTUFHHFOVZGQY-UHFFFAOYSA-N 343.854 4.791 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4ccncc4)cc3)sc2c1 3189508 ZFWXLHYALWLPNS-UHFFFAOYSA-N 345.427 4.919 0 50 EJAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 4176606 RDWVAWGIWUTCSH-IFMALSPDSA-N 341.414 4.632 0 50 EJAA CCc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 5050769 PDJXYTTXMVGJEM-UHFFFAOYSA-N 344.414 4.754 0 50 EJAA CC[C@H](NC(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 13329029 HGVORRYUCRUFBJ-HNNXBMFYSA-N 348.830 4.630 0 50 EJAA Cc1ccc([C@@H](C)CCN2CCN(c3cccc(C)c3C)CC2)o1 22077662 IYGXRHMEUZTQRP-KRWDZBQOSA-N 326.484 4.521 0 50 EJAA COc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 36620371 NDOAXRPJGVRFOS-INIZCTEOSA-N 330.815 4.718 0 50 EJAA Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)c1C 64984599 CMZJTVRUIGQBCR-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA C[C@@H](c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1)N1CCCC1 67713122 LMVQOJVJFHAFFB-ZDUSSCGKSA-N 329.827 4.862 0 50 EJAA CCOc1ccc(CN2CCC(c3ccncc3)CC2)cc1Cl 72420156 YUJQTEORSXFAQN-UHFFFAOYSA-N 330.859 4.513 0 50 EJAA O=C(c1cccc2cnccc12)N1CCCC[C@@H]1CCc1ccccc1 91933624 WBBOBSIZGVGIOL-HXUWFJFHSA-N 344.458 4.862 0 50 EJAA Cc1cc2cc(NC(=O)N(CC3CCC3)C[C@H]3CCCO3)ccc2o1 95516744 UQYBTNRHQGTPEU-GOSISDBHSA-N 342.439 4.554 0 50 EJAA Cc1c(Br)cccc1NCc1ccc2cnccc2c1 226385424 PWGJDFSCASXGMO-UHFFFAOYSA-N 327.225 4.918 0 50 EJAA O=C(O)C1CCC(N[C@@H](c2ccc(Cl)cc2)c2ccsc2)CC1 263496426 TVBRWKMJYDURLG-IMRCBTMISA-N 349.883 4.724 0 50 EJAA CCCn1cc(C(=O)N(Cc2sccc2C)C2CCCC2)c(C)n1 823031262 CAZWHCMCYHBNTN-UHFFFAOYSA-N 345.512 4.556 0 50 EJAA Fc1cccc(-n2nc(-c3cccs3)nc2C2[C@H]3CCC[C@H]23)c1 1875348736 AKLCPHJRACMXIJ-KBPBESRZSA-N 325.412 4.648 0 50 EJAA Cc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 405685 NTVRSVHJTBPKOG-SFHVURJKSA-N 344.458 4.884 0 50 EJAA Cc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2)cc1 573472 JVZAAHRSWNAXPC-UHFFFAOYSA-N 325.477 4.735 0 50 EJAA Cc1cc(C)cc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 859053 DPYCQDAMPWVMEE-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA CCCC[C@H]1CN(Cc2cccc3nccnc23)Cc2ccccc2O1 12051875 XZMFIUJCYAQKHW-IBGZPJMESA-N 347.462 4.583 0 50 EJAA O=C(Nc1nnc(-c2ccccc2Cl)s1)Nc1ccccc1F 16944254 GGNQTHQVZFXARH-UHFFFAOYSA-N 348.790 4.642 0 50 EJAA CN(C)CCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl 22455773 KGIBLOMYBKNRFW-UHFFFAOYSA-N 337.294 4.557 0 50 EJAA O=C(CCC1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1 23619944 FPXGJWCORWOFKO-JXMROGBWSA-N 348.490 4.831 0 50 EJAA CC(C)C[C@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CC(C)C 34303729 UAFXUVUVOTXFND-IYBDPMFKSA-N 334.456 4.869 0 50 EJAA in-vitro O[C@@H](Cn1ccnc1-c1ccccc1-c1ccco1)c1ccccc1 82138407 LRKSCUUQSGKLBT-IBGZPJMESA-N 330.387 4.544 0 50 EJAA Fc1ccc(-c2nc(CN(Cc3cccs3)C3CC3)co2)cc1 130057810 WXURZOLPBSVJHQ-UHFFFAOYSA-N 328.412 4.707 0 50 EJAA Nc1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 141082908 JZUHJGPUJMMRKU-UHFFFAOYSA-N 330.387 4.630 0 50 EJAA CC(C)(C)n1cnnc1SCSCc1ccc(Cl)cc1 170605603 KSLKFFLVEUWGMZ-UHFFFAOYSA-N 327.906 4.670 0 50 EJAA CC(C)c1noc(-c2ccc(NC(=O)N(C)[C@@H](C)C3(C)CC3)cc2)n1 175977501 FWUKWEZFMBFLTN-ZDUSSCGKSA-N 342.443 4.512 0 50 EJAA O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@H]1c1nccs1 257365073 HIBVFONIZXZQGG-UPJWGTAASA-N 346.418 4.565 0 50 EJAA C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 814130416 TXYYRRGRXGQBAR-MVWAKERRSA-N 337.438 4.929 0 50 EJAA Cc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n([C@H](C)C2CC2)n1 1529126328 BXVHWUQTNBZOHX-CQSZACIVSA-N 336.439 4.513 0 50 EJAA CCCc1ccc(Oc2c[nH]nc2-c2ccc(OC)c(C)c2O)cc1 314970 AZGNWYJFMWZNRK-UHFFFAOYSA-N 338.407 4.844 0 50 EJAA CN(C)Cc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1N 332424 JZMIQIGBZKFZPU-UHFFFAOYSA-N 344.377 4.640 0 50 EJAA CCc1ccc(-c2cc(C(=O)N(CC)CC)c3ccccc3n2)cc1 473641 QNWSLADMWQIGJF-UHFFFAOYSA-N 332.447 4.946 0 50 EJAA COc1cccc(OC)c1OCCCCOc1c(C)ccc(C)c1C 2985190 PLGCZKDWSCIILA-UHFFFAOYSA-N 344.451 4.867 0 50 EJAA CCc1c(CN2CCN(c3cccc(C)c3)[C@H](C)C2)csc1C 6797733 MMCWLAUYJWFLFH-MRXNPFEDSA-N 328.525 4.638 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1cccc(Cl)c1 25762234 ZKEYKFOYHNEQLF-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA COc1ccc(COc2ccc([C@@H](C)CC(=O)O)cc2)cc1Cl 43190929 DETVUMCTRQOZIW-LBPRGKRZSA-N 334.799 4.506 0 50 EJAA COc1cccc([C@H]2CCCN2C(=O)c2cccc3cc(C)oc23)c1 77355200 ZXPVMSGNTPVLRA-LJQANCHMSA-N 335.403 4.727 0 50 EJAA O=C(Nc1ccc(Nc2ccccc2)nc1)C1(c2cccc(F)c2)CC1 170627197 GBKFZPDGOKOCAN-UHFFFAOYSA-N 347.393 4.635 0 50 EJAA CC[C@H](C)N(C[C@@H](O)c1cccn1Cc1ccccc1F)[C@@H](C)CC 201035679 FXQMNNHPOYWWKI-XGHQBKJUSA-N 346.490 4.608 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1c(C)c2ccccc2n1C 215470184 CJUHNNQOVAINKH-LJQANCHMSA-N 349.478 4.885 0 50 EJAA COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 400368 QLRDJMVNYHXQEC-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(Cl)c1 456255 JDELXRMIOMDZLI-UHFFFAOYSA-N 332.787 4.855 0 50 EJAA O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(F)cccc12 3756786 YFCUZUYVYAQMQM-UHFFFAOYSA-N 335.256 4.758 0 50 EJAA COc1cc(Br)c(Cl)c(Br)c1Cl 36532757 ZINBPEIRRFSAMW-UHFFFAOYSA-N 334.822 4.527 0 50 EJAA COc1ccccc1-c1ccc(C(=O)N[C@@H](C)c2ccc(C)cn2)cc1 220486650 ZYMNYWKLNXRPDZ-INIZCTEOSA-N 346.430 4.557 0 50 EJAA CN(Cc1cc(CN2CCCC2)cs1)Cc1ccccc1Cl 823715013 GUJJPDFBAWJZRS-UHFFFAOYSA-N 334.916 4.629 0 50 EJAA CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(C)c(Cl)c1 1184472170 LXKCDVBHZZCULJ-LBPRGKRZSA-N 338.856 4.930 0 50 EJAA Cc1cccc2[nH]c(SCc3cc4c(cc3Cl)OCO4)nc12 86527 HUUYFKDVDXNCTF-UHFFFAOYSA-N 332.812 4.546 0 50 EJAA Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)o1 433781 KWEOIEVWPPKBRR-UHFFFAOYSA-N 334.419 4.819 0 50 EJAA COc1cccc(C(=O)Nc2ccc([C@H]3CC3(Cl)Cl)cc2)c1 465349 DXVPQIOUPUSTMC-OAHLLOKOSA-N 336.218 4.609 0 50 EJAA COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)cc1 620102 YJCPMUAOBWKFLK-QFIPXVFZSA-N 345.442 4.831 0 50 EJAA Cc1ccccc1CSCCNC(=O)c1ccc(C(C)(C)C)cc1 2813128 VWHYTNDIUMPPJF-UHFFFAOYSA-N 341.520 4.956 0 50 EJAA Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)o1 2890937 MXTBKIUMGZMOQC-UHFFFAOYSA-N 349.415 4.501 0 50 EJAA CCCCc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 2982831 BUENAXGZUIWVBR-UHFFFAOYSA-N 346.883 4.809 0 50 EJAA O=C1c2ccccc2N[C@@H](CCc2ccccc2)N1c1ccccc1 4844561 BMQRFOHYPDIMIN-OAQYLSRUSA-N 328.415 4.718 0 50 EJAA Cc1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1 13285384 WTZJBLLWLKFGEQ-UHFFFAOYSA-N 326.403 4.612 0 50 EJAA CCCOc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 15746292 PWHAGLBKKRWOPQ-UHFFFAOYSA-N 339.313 4.626 0 50 EJAA C[C@H](c1cccc(-c2ccc(O)c(-c3ccno3)c2)c1)N1CCCC1 65429613 QPKMTNXKOVBWRR-OAHLLOKOSA-N 334.419 4.871 0 50 EJAA CC[C@@H](c1ccncc1)n1cc(-c2cccc(Cl)c2Cl)nn1 91915507 NAPLVHQXCGLUQE-HNNXBMFYSA-N 333.222 4.646 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)[nH]c12 92061681 LZOZPUMLCGZNAM-OAQYLSRUSA-N 347.462 4.711 0 50 EJAA Cc1cccn2cc(-c3ccc(N[C@H](C)c4ccns4)cc3)nc12 1875328967 VPCWLFRBUSJWMM-CQSZACIVSA-N 334.448 4.939 0 50 EJAA C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(Cl)c1 2325870872 SOBREIGELICNBT-JTQLQIEISA-N 333.218 4.966 0 50 EJAA CCOC(=O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1 98370 YGYLWNLYQYWNOX-UHFFFAOYSA-N 326.783 4.809 0 50 EJAA CCCc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O 123057 SCQUFYYOWXJXQU-UHFFFAOYSA-N 326.367 4.772 0 50 EJAA CC(=O)Nc1ccc(Oc2c(Cl)c(C)nc(C)c2Cl)cc1 408139 LDEGTFPFAVHVRU-UHFFFAOYSA-N 325.195 4.756 0 50 EJAA CCOc1ccccc1NC(=O)Nc1ccc(Br)cc1C 610754 YARCFULWZGLDEH-UHFFFAOYSA-N 349.228 4.800 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OCC 618441 AJALQVFRWDYANH-UHFFFAOYSA-N 335.403 4.890 0 50 EJAA COc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1Cl 619204 ZZSJZBDORMXIEA-GFCCVEGCSA-N 335.856 4.609 0 50 EJAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 1234717 KHDFIBIXXCAAKP-LEWJYISDSA-N 327.427 4.696 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@@H]21 2008392 YCBKSSAWEUDACY-SJORKVTESA-N 330.468 4.708 0 50 EJAA biogenic,world CCCCCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21 2721455 HLBVPDMVWVPUBA-UHFFFAOYSA-N 349.478 4.507 0 50 EJAA aggregator O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1c1cccc(F)c1 36620401 ZGJVUZKQPXWCAT-QGZVFWFLSA-N 335.781 4.524 0 50 EJAA O=c1c2c(-c3cccc4ccccc34)ccnc2[nH]n1-c1ccccc1 100130335 YZLHFUSMBFHWJI-UHFFFAOYSA-N 337.382 4.534 0 50 EJAA CO[C@@H](C)c1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 170728270 AQYCDPVKXJUTHQ-ZDUSSCGKSA-N 338.432 4.770 0 50 EJAA CC1(C)CN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1CC(=O)O 2325788067 JXFUBEATVQZDGH-AWEZNQCLSA-N 347.842 4.533 0 50 EJAA Cc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1 260355 QWNMSNLELAFPIO-UHFFFAOYSA-N 326.396 4.818 0 50 EJAA Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 439710 IKHVSGMIKQDULJ-JOCHJYFZSA-N 340.426 4.987 0 50 EJAA Cc1ccc(OCc2nc(Cc3ccc(Cl)cc3)no2)c(C)c1 445002 VJAOOXXAFLZIFD-UHFFFAOYSA-N 328.799 4.510 0 50 EJAA COc1ccc(Cl)cc1NC(=S)N[C@H]1CCCc2ccccc21 611788 OGXDWCJJKONGSB-HNNXBMFYSA-N 346.883 4.713 0 50 EJAA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 1071757 BUBLTIPLCDNTBF-UHFFFAOYSA-N 340.206 4.653 0 50 EJAA O=C(OCc1ccc(Cl)cc1)c1ccc2c(c1)-c1ccccc1C2=O 2811726 VQSGCGHVAFRSSX-UHFFFAOYSA-N 348.785 4.908 0 50 EJAA O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc(-c2ccccc2)cc1 3998067 KJVKZHNORNRCGK-UHFFFAOYSA-N 339.398 4.996 0 50 EJAA O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 4244880 QYVILFCVZUELEG-UHFFFAOYSA-N 338.410 4.536 0 50 EJAA in-vitro Cc1cc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)cc(C)c1Cl 5924882 PPBDFZXKCALXBB-HNNXBMFYSA-N 341.923 4.501 0 50 EJAA CC(C)(C)CN1CCC[C@@H](c2[nH]ncc2-c2c(F)cccc2F)C1 11785206 KANJHPUWHYNJAU-CYBMUJFWSA-N 333.426 4.580 0 50 EJAA O=C(c1c[nH]c2ccccc12)[C@@H](CN1CCCCC1)c1ccccc1 71770261 AHVIYSFSUDWFJQ-FQEVSTJZSA-N 332.447 4.620 0 50 EJAA COc1ccccc1CN(C(=O)c1cccc2cc(C)oc12)C1CC1 215547642 USRYLICCEQECBB-UHFFFAOYSA-N 335.403 4.555 0 50 EJAA CSc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 584904376 TYNSPCQSRXPYIG-NHCUHLMSSA-N 344.568 4.637 0 50 EJAA C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1nc(-c2ccccc2)cs1 1293872503 AAGUMAGFSDKEMA-KYJSFNMBSA-N 340.492 4.532 0 50 EJAA O=C(Nc1ccc(Br)cc1)/C(Cl)=C/c1ccccc1 54704 SYTKVYBSPGLEAE-UVTDQMKNSA-N 336.616 4.668 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 119134 RWDKKMZJXNWLED-UHFFFAOYSA-N 327.387 4.791 0 50 EJAA O=C(/C=C/c1ccccc1Cl)Nc1cccc(Br)c1 129377 DMOTXAZHXKMEAJ-CMDGGOBGSA-N 336.616 4.754 0 50 EJAA CCN(CC)CCn1c(SCc2ccccc2)nc2ccccc21 432193 CPXUPXPIZNNRSP-UHFFFAOYSA-N 339.508 4.670 0 50 EJAA Cc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1C 434392 UJEFANQWRZQONI-UHFFFAOYSA-N 330.431 4.983 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 442247 JWXJRWIFOBZMOY-XCVCLJGOSA-N 341.716 4.891 0 50 EJAA CCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccccc1 463510 TWDPMVQCOQWLLB-UHFFFAOYSA-N 326.396 4.764 0 50 EJAA Brc1ccccc1Nc1nc(-c2ccccn2)cs1 2861020 WZZBPSDIVDKPTP-UHFFFAOYSA-N 332.226 4.711 0 50 EJAA CCOC(=O)c1cc(Oc2ccccc2Cl)nc2ccccc12 40451265 DIVAEMJSMCMNDT-UHFFFAOYSA-N 327.767 4.857 0 50 EJAA CCc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(C)=O)cc1 225793604 DDCGAKPAUJZOBB-AWEZNQCLSA-N 327.449 4.571 0 50 EJAA COc1cc2ccccc2cc1-c1nc([C@@H]2CCC(F)(F)C2)no1 1875291420 YGENVHDLLNSAFA-CYBMUJFWSA-N 330.334 4.801 0 50 EJAA CC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C 205005 VXVURWSWONVWCM-UHFFFAOYSA-N 327.387 4.574 0 50 EJAA COc1ccccc1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 311615 WOJTXWSDRBMPRT-UHFFFAOYSA-N 343.732 4.549 0 50 EJAA Clc1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1 462008 SVOCIXLOMOQHIW-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N[C@H](C)C(C)(C)C)c2c1 477196 CXJDKJLOEDZMRH-OAHLLOKOSA-N 347.462 4.770 0 50 EJAA COc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 477225 HGCJOUDWFZAWKK-UHFFFAOYSA-N 327.767 4.861 0 50 EJAA Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)n2n1 2784410 OAXKRGCEGWKPFQ-UHFFFAOYSA-N 328.149 4.949 0 50 EJAA COc1cc2c(cc1NC(=O)c1cccc(F)c1)oc1ccccc12 4855412 HDZFSYAESHCKLS-UHFFFAOYSA-N 335.334 4.986 0 50 EJAA Cc1ccc(N2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)cc1 5018629 VTRNZWNIPWCZGN-WOJGMQOQSA-N 348.427 4.728 0 50 EJAA aggregator Clc1ccccc1COc1ccccc1CNCc1cccnc1 6671715 SYGFFWVHJVVZNW-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc([C@@H](C)c3ccccc3)s2)cc1 9167728 KKYACYSDGDULDL-ZDUSSCGKSA-N 338.436 4.642 0 50 EJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 25755233 PBNRUVILOKIERK-UHFFFAOYSA-N 348.805 4.716 0 50 EJAA Cc1ccc2c(c1)OCCC[C@H]2Nc1cccc(NC(=O)C2CC2)c1 182958951 HYNOJPWWDJUOSQ-LJQANCHMSA-N 336.435 4.669 0 50 EJAA Cc1sc2ncnc(Nc3ccc(C(=O)OC(C)C)cc3)c2c1C 144709 VHNNGNGCTTXMPN-UHFFFAOYSA-N 341.436 4.617 0 50 EJAA C[C@H]1CCCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 194951 UXTFMAAQXOVMCR-QFBILLFUSA-N 325.477 4.779 0 50 EJAA CC(C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 355682 REKLPVKPTDMWJH-UHFFFAOYSA-N 335.451 4.601 0 50 EJAA COc1ccc2c(Cl)cc(NC(=O)Nc3ccccc3)nc2c1 397198 GIPWMDPSGWDUGH-UHFFFAOYSA-N 327.771 4.541 0 50 EJAA O=C(Oc1ccccc1)c1cc(Br)c2ccccc2c1O 402540 OIOVTLYQTZPXTO-UHFFFAOYSA-N 343.176 4.527 0 50 EJAA CCCCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2066082 QVTYMYMADXTENS-XDJHFCHBSA-N 335.403 4.600 0 50 EJAA Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 5050330 VMMJASHYQSQGTP-UHFFFAOYSA-N 334.444 4.735 0 50 EJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 12597396 QVLFGWJAQUNGAU-QGZVFWFLSA-N 325.477 4.503 0 50 EJAA CCN1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 14980078 HKPPSONUJRZLIJ-UHFFFAOYSA-N 347.462 4.505 0 50 EJAA CC(C)[C@@H]1Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3)c(=O)c21 22342897 YNTKNBZPHVGQEK-KRWDZBQOSA-N 348.471 4.858 0 50 EJAA Cc1cccnc1[C@@H](C)n1cc(-c2ccccc2-c2ccco2)nn1 91914814 SWJJECGTMVIQBB-OAHLLOKOSA-N 330.391 4.518 0 50 EJAA CCN(CCCC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 96027372 LIGJBDYJVVLWSG-UHFFFAOYSA-N 325.496 4.940 0 50 EJAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]1c1ccncc1 161686703 CHRLZMTXPILWBO-KZNAEPCWSA-N 340.492 4.699 0 50 EJAA Brc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1cccs1)N2 229893156 WUIPKVXSZJTSSV-WKPIXPDZSA-N 336.254 4.755 0 50 EJAA CC(C)c1oc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)nc1-c1ccccc1 248194160 NRYXUHHABNOEPA-OIISXLGYSA-N 338.451 4.785 0 50 EJAA CC1=CC2(CCN(c3cc(C)c4ccc(Cl)cc4n3)CC2)OCC1 2356141693 LUEZPESOCUHUEE-UHFFFAOYSA-N 342.870 4.902 0 50 EJAA CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 99526 MYQHGSXRFSPVTQ-UHFFFAOYSA-N 332.241 4.999 0 50 EJAA O=C1O[C@@H](c2ccccc2)C2(CCCCC2)C(=O)C12CCCCC2 450913 NYAMEJNMRAEZKM-KRWDZBQOSA-N 326.436 4.755 0 50 EJAA CO[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 4702145 IWIRPYMDBVSHQH-CQSZACIVSA-N 343.732 4.685 0 50 EJAA O=C(Nc1ccccc1Sc1ccc(Cl)cc1)[C@H]1CCCO1 4750559 MRLHEYLFMXIGEH-OAHLLOKOSA-N 333.840 4.609 0 50 EJAA Cc1csc([C@@H](C)N(C)Cc2nc(-c3cccs3)oc2C)n1 14958297 HLPUBCIIOJGKGL-LLVKDONJSA-N 333.482 4.669 0 50 EJAA O=C(NCc1ccccn1)c1sc2cc(Cl)ccc2c1Cl 16580060 MGWGGEIXEPWFFJ-UHFFFAOYSA-N 337.231 4.533 0 50 EJAA Cc1ccc(C)c([C@@H](C)N(C)C(=O)CCc2c[nH]c3ccccc23)c1 499096134 KGBMJCMJIASQQG-QGZVFWFLSA-N 334.463 4.937 0 50 EJAA O=C(c1cccc2c1COC2)N1CCCCC[C@@H]1c1cccc(F)c1 2100477891 HOYNSJIZHYXDGQ-HXUWFJFHSA-N 339.410 4.613 0 50 EJAA Cc1ccc([C@H]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 2325773382 RCMCGFVQGZEVPT-QZTJIDSGSA-N 326.440 4.713 0 50 EJAA CC(C)C[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3)n2)OC1=O 330696 ZSJMLFXSUTZHQS-ACJLOTCBSA-N 330.453 4.711 0 50 EJAA Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCCC2 2558513 QHOPHYOIARLUHL-UHFFFAOYSA-N 334.872 4.895 0 50 EJAA Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3Cl)sc2c1 2764866 RNPVDGKWFBETGY-NSHDSACASA-N 346.839 4.664 0 50 EJAA Cc1ccc(SCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 2818212 QGJMFZAMXDZHIX-IZZDOVSWSA-N 331.868 4.570 0 50 EJAA Cc1csc2[n+]1[C@@H](c1ccccc1)c1cc(Cl)ccc1N2C 3199961 RCECMLXAHUOJSD-KRWDZBQOSA-N 327.860 4.716 0 50 EJAA O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)cc1F 5041465 KVCAWPXPRPLJRW-UHFFFAOYSA-N 332.228 4.507 0 50 EJAA Cc1ccc(N[C@H](c2ccc(O)cc2)[P@@]2(=O)OCC[C@H](C)O2)cc1 5363270 MVCYMXFPPSIAHN-MYXDTRPFSA-N 347.351 4.830 0 50 EJAA Clc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccco3)C2)cc1 15000829 DQJXOESVADDRJG-HNNXBMFYSA-N 341.842 4.703 0 50 EJAA O=S(=O)(NC1CCCCCCCCCCC1)c1cccs1 17067603 UUPVJQQEADGWQA-UHFFFAOYSA-N 329.531 4.700 0 50 EJAA Cc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1 22033128 HANCGVYZXZHSRG-UHFFFAOYSA-N 341.414 4.645 0 50 EJAA CC(C)(C)n1ccc(C(=O)N2CCC[C@H](CCc3ccccc3)C2)c1 71759481 KHXCJWZSFPNABW-LJQANCHMSA-N 338.495 4.728 0 50 EJAA FC(F)(F)CCOc1ccc(Br)cc1C(F)(F)F 169725695 HCANRQNEMSJRBH-UHFFFAOYSA-N 337.057 4.799 0 50 EJAA CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 241644207 PPDFDSUQCMHLLB-RBSFLKMASA-N 333.438 5.030 0 50 EJAA CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 241644208 PPDFDSUQCMHLLB-RRFJBIMHSA-N 333.438 5.030 0 50 EJAA CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C)nc1-c1ccccc1 248194162 NRYXUHHABNOEPA-PVAVHDDUSA-N 338.451 4.785 0 50 EJAA CC(C)(COCc1ccccc1)Nc1ccc(Br)cc1 257355170 OFLZYXXGVJYDNJ-UHFFFAOYSA-N 334.257 4.856 0 50 EJAA CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 75110 RQALFBAYWUEKQO-QGZVFWFLSA-N 348.490 4.829 0 50 EJAA biogenic,in-vitro O=C(Nc1ncccc1Cl)C1c2ccccc2Oc2ccccc21 204761 QJBTUXJKWPQGIA-UHFFFAOYSA-N 336.778 4.611 0 50 EJAA CC(=O)Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F 1405408 UNSHARMUUVDSMT-UHFFFAOYSA-N 336.362 4.997 0 50 EJAA O=C1C(Nc2cccc(F)c2)=C2CCCC=C2N1c1cccc(F)c1 1424268 GOGJLQKWRSYFTH-UHFFFAOYSA-N 338.357 4.745 0 50 EJAA COc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 1778335 YVVXIADMJPKIRD-UHFFFAOYSA-N 347.842 4.763 0 50 EJAA Cc1ccc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4833017 HOGSCRPXEXSVSK-KMYSJOAASA-N 329.509 4.561 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)Nc3nccs3)o2)cc1 4866141 CDOMQXYSPINNJJ-UHFFFAOYSA-N 330.434 4.589 0 50 EJAA Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 4954956 MMOUYBCDJMEUFG-DUXPYHPUSA-N 335.112 4.678 0 50 EJAA COCc1nn2c(-c3ccccc3)ccnc2c1-c1ccc(Cl)cc1 15109839 LKTXZGFAABYBCL-UHFFFAOYSA-N 349.821 4.863 0 50 EJAA CC(C)c1oc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C)nc1-c1ccccc1 229741128 NRYXUHHABNOEPA-XIRDDKMYSA-N 338.451 4.785 0 50 EJAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[C@H](c2ccco2)C1 252668259 FBAOEFHWAHGXKN-WBOJAVRRSA-N 345.389 4.661 0 50 EJAA CC[C@H]1c2ccccc2CN1C(=O)Nc1cc(OC)cc(OC)c1C 931289358 DIHZOFJKYJDKMD-SFHVURJKSA-N 340.423 4.511 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(F)cc1 106516 CVXRCOPXSRXCBL-UHFFFAOYSA-N 341.773 4.870 0 50 EJAA FC(F)(F)c1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)CCC2 204984 OZKZAIMPCUAOHG-UHFFFAOYSA-N 337.732 4.557 0 50 EJAA CSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 446970 CAVKJXHEUXQUKS-JXMROGBWSA-N 326.446 4.670 0 50 EJAA O=C(NCc1ccccc1Cl)[C@H](c1ccccc1)C1CCCC1 462718 OPFVAOWYACQXHJ-LJQANCHMSA-N 327.855 4.930 0 50 EJAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 1413868 MJQQDTAQHHTBIE-UHFFFAOYSA-N 346.361 4.815 0 50 EJAA CCCSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 2838060 HVDBLBKPKVMDLF-UHFFFAOYSA-N 339.464 4.835 0 50 EJAA Cc1ccc(CSCCNC(=O)[C@H](C)Sc2ccccc2)cc1 2982157 YOZKRGFEZPYIHW-INIZCTEOSA-N 345.533 4.525 0 50 EJAA O=C(Oc1ccc2cc(Br)ccc2c1)N1CCCCCC1 4522649 OQZYISVFELIZLC-UHFFFAOYSA-N 348.240 4.977 0 50 EJAA COc1cc2ccccc2cc1[C@@](O)(c1ccccc1)c1ccncc1 4759952 GZPDPLBUKJNHQJ-HSZRJFAPSA-N 341.410 4.528 0 50 EJAA COc1cccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)c1 4851230 WDNGGFMFIDOUJG-NSHDSACASA-N 330.771 4.539 0 50 EJAA CC(C)(C)CN1CCC[C@H](c2[nH]ncc2-c2c(F)cccc2F)C1 11785207 KANJHPUWHYNJAU-ZDUSSCGKSA-N 333.426 4.580 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@@H]1C 13329537 MDLHMQLVNKTFKS-NHYWBVRUSA-N 332.831 4.612 0 50 EJAA O=C(Nc1ccccc1)O[C@H]1[C@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2 100705372 LURDPRCEUSFKGO-FFGOWVMKSA-N 342.483 4.668 0 50 EJAA C[C@H](CCN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1)c1ccccc1 239306251 GPUZEMUACDCDIM-UEVCKROQSA-N 340.555 4.909 0 50 EJAA Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C2CCCCC2)cc1 271299895 SCRDWKSZGSDUQT-UHFFFAOYSA-N 333.382 4.956 0 50 EJAA Cc1cnc(CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 390833007 ANRJXCVGZBGFJH-HNNXBMFYSA-N 344.764 4.896 0 50 EJAA O=C(CSCc1cccc2ccccc12)Nc1ccc(F)cc1 148691 NNXMNSBRGKTZNL-UHFFFAOYSA-N 325.408 4.851 0 50 EJAA COc1cc(OC)c(NC(=O)c2cccc3ccccc23)cc1Cl 342143 AAOMTOLCSIHZLA-UHFFFAOYSA-N 341.794 4.763 0 50 EJAA Cc1nc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cs1 387102 OILWXIYFKKSEAS-UHFFFAOYSA-N 342.851 4.953 0 50 EJAA Cc1cccc(C(=O)Nc2cccc(OC(=O)c3cccc(C)c3)c2)c1 452624 HWVYWIZTGYIIHF-UHFFFAOYSA-N 345.398 4.775 0 50 EJAA COc1ccc(NCC(=O)n2c3ccccc3c3ccccc32)cc1 2826451 SBYFJOIDFMMQLF-UHFFFAOYSA-N 330.387 4.555 0 50 EJAA CCc1cccc(OCCOc2ccc(Cl)c3cccnc23)c1 2862585 HRJJESSZRQEYHX-UHFFFAOYSA-N 327.811 4.908 0 50 EJAA O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2cc(O)ccc12 5731163 LIVWZNRIYNUFRC-UHFFFAOYSA-N 340.684 4.838 0 50 EJAA biogenic CCc1nn2c(-c3ccccc3OC)ccnc2c1-c1ccccc1 6757787 ALIBOESZWJPLIA-UHFFFAOYSA-N 329.403 4.634 0 50 EJAA O=C(c1c(F)cccc1Cl)N1CCC(Cc2ccccc2)CC1 16605156 YWYVRVHKIGOKOL-UHFFFAOYSA-N 331.818 4.574 0 50 EJAA C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 17067190 OPRZMNMSKRRJBT-BZNIZROVSA-N 328.283 4.745 0 50 EJAA Cc1ccc([C@@H](c2ccncc2)n2ccnc2-c2ccsc2)cc1 71764411 JSZUGEWVSMVBDA-IBGZPJMESA-N 331.444 4.953 0 50 EJAA O=C(O)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 95726748 VCRZMEAJRGIGCT-UHFFFAOYSA-N 343.382 4.500 0 50 EJAA in-vitro c1ccc(COc2ccccc2-c2noc([C@H]3CCCCO3)n2)cc1 151671127 AJCHONHBYOOSLE-GOSISDBHSA-N 336.391 4.557 0 50 EJAA Brc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1cccs1)N2 229893164 WUIPKVXSZJTSSV-NZVBXONLSA-N 336.254 4.755 0 50 EJAA CCn1cc([C@@H](C)NCc2cnc(-c3ccc(Cl)cc3)s2)cn1 284217905 CNXMRGRJWMCECZ-GFCCVEGCSA-N 346.887 4.531 0 50 EJAA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(F)cc1Cl 111956 MNBCWUARJKSYPG-AWEZNQCLSA-N 338.806 4.623 0 50 EJAA Cn1nc(-c2ccccc2)c(CO)c1SCc1ccc(Cl)cc1 169713 NJJXVNUMZSWLFY-UHFFFAOYSA-N 344.867 4.525 0 50 EJAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1Cl 568151 PESNCSPUUNXZDA-UHFFFAOYSA-N 346.814 4.779 0 50 EJAA Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C 2764701 FVUXMUSUZSCIKM-KRWDZBQOSA-N 333.431 4.713 0 50 EJAA CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 4309632 NPPONDPRBOWTBX-HKUYNNGSSA-N 326.827 4.866 0 50 EJAA COc1ccccc1C(c1ccccc1OC)c1ccccc1OC 4530462 QORKUULVGQBXHD-UHFFFAOYSA-N 334.415 4.893 0 50 EJAA CC[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 4869128 OSMDUNUJODNXFZ-CYBMUJFWSA-N 335.407 4.697 0 50 EJAA COc1cccc(N2CCN(CCCCCCC=C(C)C)CC2)c1 4980305 YFLFYSPUBREZIM-UHFFFAOYSA-N 330.516 4.734 0 50 EJAA c1ccc2c3c([nH]c2c1)[C@@H](C1CCCCC1)N(Cc1ncc[nH]1)CC3 12444751 FGRGUJPSVCNTFV-OAQYLSRUSA-N 334.467 4.571 0 50 EJAA Cc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)c(C)c1 13746043 WXBLZYLTHLOABN-ZDUSSCGKSA-N 347.256 4.949 0 50 EJAA CCCC[C@H]1C=CCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82087210 CRLMMSNKSJHYHD-IBGZPJMESA-N 345.446 4.572 0 50 EJAA CC(C)(C(=O)Nc1cccc(C(=O)c2ccccc2)c1)c1ccccc1 110035651 XPRAMWVXKJLFFV-UHFFFAOYSA-N 343.426 4.834 0 50 EJAA Cc1ccc(C)c(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 244724591 MWYKJAWYUDYBMH-VXKWHMMOSA-N 326.528 4.532 0 50 EJAA CC(C)(C)OC(=O)N1CCc2c([nH]c3ccccc23)C12CCCC2 252506614 WBPNNTYEJKYVLX-UHFFFAOYSA-N 326.440 4.730 0 50 EJAA C[C@@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)[C@H](C)[C@@H]1C 1310642291 HBWZTCUBXKXUEA-IJLUTSLNSA-N 333.819 4.503 0 50 EJAA C[C@@H](Cc1ccccc1C(F)(F)F)NCc1cc(O)cc(Cl)c1 1461377601 LJMIHDIEFJQUEQ-NSHDSACASA-N 343.776 4.785 0 50 EJAA CN(C)Cc1ccc([C@@H]2CCCN2Cc2cc3ccccc3o2)cc1 1506407153 OQNXQAUFVWYLDS-NRFANRHFSA-N 334.463 4.832 0 50 EJAA O=C(NC1CCC(C2CCC2)CC1)c1ccc(-c2ccncc2)cc1 1875339114 WUWKKQGOFPQNBG-UHFFFAOYSA-N 334.463 4.837 0 50 EJAA COc1ccc2nc(Oc3cnc4ccc(Cl)cc4c3)sc2n1 1875353171 LVYLSKKGUVYFGL-UHFFFAOYSA-N 343.795 4.694 0 50 EJAA CC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 281923 IQQUGKPJHOZQEB-NRFANRHFSA-N 336.479 4.929 0 50 EJAA CCOc1cc(OCC)cc(C(=O)Nc2cccc3ccccc23)c1 447585 PSFLZAHHEHDLAK-UHFFFAOYSA-N 335.403 4.890 0 50 EJAA O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cccc(Cl)c1 457212 BSYRCPLEFSMUJF-UHFFFAOYSA-N 347.805 4.907 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 617542 CZNZAURIXRURRH-UHFFFAOYSA-N 342.870 4.902 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)s1 1257999 YDWZQOJVQGNSKW-UHFFFAOYSA-N 336.829 4.564 0 50 EJAA Cc1ccc2cccc(OCCCCOc3ccc(F)cc3)c2n1 2824847 FFOUMJHNSHOSDI-UHFFFAOYSA-N 325.383 4.920 0 50 EJAA CCN(CC)c1ccc2c(Cl)c(Cc3ccccc3)c(=O)oc2c1 3093145 BVTYZVCHHXAVCR-UHFFFAOYSA-N 341.838 4.883 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 14042263 OJZBSPQFJNWIIM-KRWDZBQOSA-N 346.814 4.542 0 50 EJAA O=C(NCc1ccc(Cl)c(Cl)c1)O[C@H]1CCc2ccccc21 27644612 CKERQCMQSBFFKX-INIZCTEOSA-N 336.218 4.907 0 50 EJAA in-vitro CCOc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@@H]21 35360502 RLKQCEGHUWDABO-XPGWFJOJSA-N 327.399 4.859 0 50 EJAA O=C(c1cc(Cl)ccc1F)N1CCCC[C@@H]1CCc1ccccn1 222757736 DEQKORFNBIDFEH-MRXNPFEDSA-N 346.833 4.502 0 50 EJAA Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC2=O 667165029 LTKOIABBCGYNJB-LJQANCHMSA-N 348.446 4.801 0 50 EJAA C[C@H]1C[C@H](c2ccccc2)N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 814130410 TXYYRRGRXGQBAR-AKNQTFSTSA-N 337.438 4.929 0 50 EJAA CC1=CC2(CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)OCC1 1772701949 AXWIFKJUKGBWPD-UHFFFAOYSA-N 344.455 4.655 0 50 EJAA O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccco1 68263 AHIGHVHGVMATMO-UHFFFAOYSA-N 339.203 4.962 0 50 EJAA COc1ccccc1[C@@H]1CC(=O)C[C@@H](c2ccccc2OC)S1 195646 CCKUEZLYUSXWIK-OALUTQOASA-N 328.433 4.582 0 50 EJAA CCc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 309372 PFHUICIPDWQMMQ-UHFFFAOYSA-N 337.444 4.717 0 50 EJAA c1ccc(-n2ncc3c(Nc4cccc5ccccc45)ncnc32)cc1 1242527 QEIZVGVWXZEOQI-UHFFFAOYSA-N 337.386 4.712 0 50 EJAA C[C@@H]1CCc2c(C(=O)N[C@H]3CCCc4ccccc43)csc2C1 1460317 WJGVSNBXPNQRGK-ACJLOTCBSA-N 325.477 4.680 0 50 EJAA CCOc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 2613957 FURBTCWJIMNVDZ-UHFFFAOYSA-N 335.856 4.611 0 50 EJAA C[C@H](NC(=S)NCc1cc2cc(Cl)ccc2[nH]1)c1ccccc1 2781618 LOYZYEQSDLMSLF-LBPRGKRZSA-N 343.883 4.547 0 50 EJAA COc1cc(C=O)ccc1OCCCCOc1cc(C)cc(C)c1C 4701998 UDNAIERXTDUNDO-UHFFFAOYSA-N 342.435 4.671 0 50 EJAA Cc1ccc(C(=O)CSc2cc(-c3ccccc3)ncn2)cc1C 11903027 YPUDLGARZAVMPM-UHFFFAOYSA-N 334.444 4.735 0 50 EJAA CC(=O)c1ccc(-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)cc1 20601187 AKTGABHZKVWBLU-OAQYLSRUSA-N 346.430 4.599 0 50 EJAA C[C@H](CCC(C)(C)C(=O)OC[C@@H]1CO1)c1c(Cl)cccc1Cl 43681897 VALBCASDXQVOLS-NEPJUHHUSA-N 345.266 4.845 0 50 EJAA Cc1cc(CN[C@@H]2CCCc3occc32)ccc1Oc1cccnc1 112371752 NVXXZOWFTLRMFU-LJQANCHMSA-N 334.419 4.943 0 50 EJAA CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 499195006 JRGLITUFEDZFHD-LLVKDONJSA-N 338.234 4.883 0 50 EJAA O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1O2 1463174753 HNBWOLVMWHHFGA-HLLBOEOZSA-N 343.810 4.638 0 50 EJAA COc1ncccc1[C@H](C)Nc1ccc(-c2cn3ccccc3n2)cc1 1875329000 XBWJERXDMAFFEE-HNNXBMFYSA-N 344.418 4.578 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1C 444582 LEHYVXQHOLZWBO-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA C[C@H]1CCCN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1 1166992 RKMFYLNHYCBZIB-KPQWGBOZSA-N 340.555 4.909 0 50 EJAA CCCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 2495098 WHRPPPXHHDWQJB-UHFFFAOYSA-N 342.468 4.505 0 50 EJAA biogenic Cc1ccc(C)c(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 2911501 RBEZTICRJDPDEY-GOSISDBHSA-N 344.458 4.884 0 50 EJAA CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 4026386 XIHJFMFAIYGPCL-RYFAJOAYSA-N 347.543 4.933 0 50 EJAA biogenic Cc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)c(C)c1 4841310 DSSSPSWKJNUAGF-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA COc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl 4841547 KGZKICQBQSKTKR-UHFFFAOYSA-N 346.597 4.613 0 50 EJAA Cc1cc(C)c([C@H](c2ccccc2)n2nnc3ccccc32)c(C)c1 5378821 JFUCYKXQJNXUFI-QFIPXVFZSA-N 327.431 4.994 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)CSc1ccc2ccccc2n1 5626755 NMWYFZIIAPXRLU-UHFFFAOYSA-N 342.851 4.927 0 50 EJAA Cc1cccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 28290743 YVIJKQYMZGOASX-UHFFFAOYSA-N 336.822 4.890 0 50 EJAA O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC[C@@H]1c1ccco1 33012302 MHVFSOGNGZWGJO-OAHLLOKOSA-N 342.782 4.565 0 50 EJAA S=C1O[C@@H]2CC3C(c4ccccc4)C(C[C@H]2O1)C3c1ccccc1 39381649 BFHMZFVZCQTIBF-SRLJOODASA-N 336.456 4.663 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2C)no1 64984647 JBDOCVYZZPFJIE-SFHVURJKSA-N 327.428 4.613 0 50 EJAA C[C@@H](Nc1ccc(NC(=O)CC2CCOCC2)cc1)c1ccccc1 117248348 WSLFCRKNSBTPCV-MRXNPFEDSA-N 338.451 4.615 0 50 EJAA COc1cc(Cl)c(C)cc1NCc1nnc(-c2ccccc2)s1 120995038 ZBLRTPBGGKKFHK-UHFFFAOYSA-N 345.855 4.788 0 50 EJAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)no1 163852835 HWHJHMFHIUXVEU-GOSISDBHSA-N 337.423 4.647 0 50 EJAA c1ccc(-c2ccc(CN3CCC(c4ccncn4)CC3)s2)cc1 216384504 YCWWHKIVCOTAPV-UHFFFAOYSA-N 335.476 4.585 0 50 EJAA CN(Cc1cscn1)C(=O)N[C@@H](c1cccs1)C1CCCCC1 534637100 OLQYVVYNCPELPD-MRXNPFEDSA-N 349.525 4.668 0 50 EJAA O=C(c1ccccc1)c1ccc(OCCCCN2CCCCC2)cc1 3000516 UQUFPSCXDFTXNV-UHFFFAOYSA-N 337.463 4.563 0 50 EJAA Cc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCCC1 3877789 SLRFFXWICPLLSM-UHFFFAOYSA-N 347.466 4.551 0 50 EJAA CCN(CC)CCNc1cc(-c2ccc(OC)cc2)nc2ccccc12 4542559 SUHKIYZMMUMPFG-UHFFFAOYSA-N 349.478 4.664 0 50 EJAA Cc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccccc3F)C2)cc1 19225766 KOVXNAAEXWVMDO-GOSISDBHSA-N 349.453 4.904 0 50 EJAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1ccc(Cl)cc1 30364175 DREBUEAMUMMVID-HNNXBMFYSA-N 342.782 4.565 0 50 EJAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(F)CC1 67851730 VEMAPJZEHPQAHN-UHFFFAOYSA-N 342.336 4.603 0 50 EJAA CSc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 584904375 TYNSPCQSRXPYIG-LEWJYISDSA-N 344.568 4.637 0 50 EJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 2325863481 LMTBMAXSCRRNGR-BRSBDYLESA-N 339.822 4.973 0 50 EJAA C[C@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 88007 OUFIYTUFYOPUJU-IIBYNOLFSA-N 328.415 4.889 0 50 EJAA O=c1oc2ccccc2cc1-c1nc2c(s1)CCc1ccccc1-2 379071 BLTHRMHGSVYDRC-UHFFFAOYSA-N 331.396 4.682 0 50 EJAA aggregator CC1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN21 4715963 XPCFOMMPVJDKRJ-INIZCTEOSA-N 330.790 4.759 0 50 EJAA C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1 13745074 YSENUDCWYVFSHE-DKHPWKACSA-N 338.904 4.731 0 50 EJAA FC(F)(F)c1cc(Cl)cc(Br)c1Br 63360976 XHKRVDKJBRJYHA-UHFFFAOYSA-N 338.348 4.884 0 50 EJAA Cc1ccc([C@H](c2ccncc2)n2ccnc2-c2ccsc2)cc1 71764412 JSZUGEWVSMVBDA-LJQANCHMSA-N 331.444 4.953 0 50 EJAA CCCc1ncc(CN[C@@H](C)c2oc3ccc(OC)cc3c2C)o1 453395182 TVHZUFDIPWRROA-ZDUSSCGKSA-N 328.412 4.541 0 50 EJAA Cc1cccc(C(=O)Nc2ccccc2CN2CCCCC2)c1Cl 828172282 XUISKJGVLLANTO-UHFFFAOYSA-N 342.870 4.887 0 50 EJAA O=C(Nc1cnc2c(F)cccc2c1)[C@]12CCCC[C@@H]1CC(F)(F)C2 1875328628 CMOXZVZLOHSVQI-ACJLOTCBSA-N 348.368 4.918 0 50 EJAA COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(Cl)cc1 145432 PCGFVZYTUJZEGM-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA COc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1Cl 555109 LOFNGPSZKUVJKW-UHFFFAOYSA-N 335.856 4.778 0 50 EJAA O=Cc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(Cl)cc1 732177 QLGAOCSVFDISOO-UHFFFAOYSA-N 335.165 4.798 0 50 EJAA Cc1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 1134589 KOOBAHCSUPGGST-CJLVFECKSA-N 327.427 4.852 0 50 EJAA Brc1cccc(CN2CCC(Cc3ccccc3)CC2)c1 4990201 KQTMXJIDLIAZOH-UHFFFAOYSA-N 344.296 4.904 0 50 EJAA CC(C)CC(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 8992312 XXIULJFKYLEDSW-UHFFFAOYSA-N 329.787 4.528 0 50 EJAA COc1ccccc1-c1nc(CN(C)[C@@H](C)c2cccs2)c(C)o1 11771064 OENNLJDGECPPDU-ZDUSSCGKSA-N 342.464 4.913 0 50 EJAA COc1ccc(CC[C@@H](C)N2CCC(Cc3ccccc3)CC2)cc1 23282409 RLKWKVKOCBLNRI-LJQANCHMSA-N 337.507 4.971 0 50 EJAA Cc1ccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 28290746 GKNCMWDRIVFQQD-UHFFFAOYSA-N 336.822 4.890 0 50 EJAA CCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1ccc(F)cc1 71376520 RTALFLNVBOEDJY-UHFFFAOYSA-N 335.357 4.904 0 50 EJAA Cc1nn(-c2ccccc2)c(C)c1CNCc1coc2ccccc12 114508918 FRLGJAGXVFLAIR-UHFFFAOYSA-N 331.419 4.525 0 50 EJAA Clc1cccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 253489408 FDDGVKWNNYKGKF-WOJBJXKFSA-N 332.919 4.569 0 50 EJAA O=C(OCc1cccc(Br)c1)c1cccc2ccccc12 149214 HZTNKCNUYJUIGX-UHFFFAOYSA-N 341.204 4.959 0 50 EJAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 310826 JCIRSXGMTOSSJN-UHFFFAOYSA-N 335.806 4.794 0 50 EJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 475028 LQNKCMODUIRGHU-HZPDHXFCSA-N 345.870 4.553 0 50 EJAA COc1ccccc1CNC(=O)c1sc2cc(F)ccc2c1Cl 475406 ZEBCHUDWPNUGJF-UHFFFAOYSA-N 349.814 4.632 0 50 EJAA Cc1c(Cl)cccc1NC(=O)Nc1cccc(Cn2cccn2)c1 1121622 QUTSMVBQWNIXNH-UHFFFAOYSA-N 340.814 4.537 0 50 EJAA CCCCCC(=O)Nc1ccc(Oc2ccccc2C(=O)OC)cc1 6264000 SEFQIMSKADXBJD-UHFFFAOYSA-N 341.407 4.784 0 50 EJAA Cc1cc(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc12 12418197 RRJPZCNTFHHLPE-OAHLLOKOSA-N 336.460 4.513 0 50 EJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1cccs1 33012284 GUIGLHBPCMIOSH-OAHLLOKOSA-N 342.395 4.520 0 50 EJAA Cc1oc(-c2ccsc2)nc1CN1C[C@@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 102137128 PZBUZJWPATVRJV-IUGPZWINSA-N 328.481 4.722 0 50 EJAA Cc1sc2nc(-c3cscn3)nc(O)c2c1-c1ccc(F)cc1 432520693 SKTPJGLKQLNNRR-UHFFFAOYSA-N 343.408 4.635 0 50 EJAA CSc1ccc2nc(NCCCn3nc(C)cc3C)cc(C)c2c1 1529189811 ZAUOFOADJWVEMS-UHFFFAOYSA-N 340.496 4.581 0 50 EJAA CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 48938 RQXWOZNKNQGWEC-UHFFFAOYSA-N 328.462 4.590 0 50 EJAA CCc1cc2c(SCC(=O)c3ccc(Cl)cc3)ncnc2s1 72469 BSXXHQASKNGIMP-UHFFFAOYSA-N 348.880 4.882 0 50 EJAA Cc1cc(NC(=O)C[C@@H](C)c2ccccc2)ccc1Br 319061 WDMBBPINCCDKKB-GFCCVEGCSA-N 332.241 4.890 0 50 EJAA CC(C)(C)c1ccc(OCC(=O)Nc2cccc3ncccc23)cc1 556472 OSTQVLZPKIKVKU-UHFFFAOYSA-N 334.419 4.550 0 50 EJAA Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 610262 WHBVFBQXIGSXAS-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA CC(=O)c1cccc(NC(=O)NCc2ccc(Cl)c(Cl)c2)c1 611009 QMOSACLXIABAKK-UHFFFAOYSA-N 337.206 4.518 0 50 EJAA COc1cc2c(cc1NC(=O)c1ccccc1F)oc1ccccc12 3517102 ODPUOJMHVCSACD-UHFFFAOYSA-N 335.334 4.986 0 50 EJAA CCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccccc21 3876672 UYANQSINBSMAQZ-UHFFFAOYSA-N 342.442 4.731 0 50 EJAA CC[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 4841011 YLCDSZQMMGVTLZ-AWEZNQCLSA-N 335.407 4.697 0 50 EJAA CCN(CC)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4881847 YYKNDSOMZWLBBA-UHFFFAOYSA-N 326.484 4.688 0 50 EJAA O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 5073001 QEKVZSHSGAGZDG-UHFFFAOYSA-N 349.817 4.929 0 50 EJAA Fc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccccc3)no2)c1 12021870 HFPCTVQNUOKYPY-SFHVURJKSA-N 337.398 4.603 0 50 EJAA Clc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 100687838 QWTXUURPCZUESE-MRXNPFEDSA-N 343.217 4.641 0 50 EJAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(F)cc(Cl)c2)cs1 189158880 PRNLUISMMJTNCH-AWEZNQCLSA-N 339.823 4.613 0 50 EJAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1 110881 TXBIKVOIVWTLSX-JXFKEZNVSA-N 343.430 4.674 0 50 EJAA CSc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1 319170 ZTZVDPKQBJUNNI-UHFFFAOYSA-N 331.444 4.733 0 50 EJAA Cc1c(O[C@@H]2CCCCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 406876 UPBMBUBREXTRFS-HXUWFJFHSA-N 348.398 4.659 0 50 EJAA biogenic O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)c2ccccc2)c1 1165009 ZOQSJXCRHDJXHN-CCEZHUSRSA-N 327.383 4.570 0 50 EJAA Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4041349 WVDQTICJJSVLMO-UHFFFAOYSA-N 348.354 4.532 0 50 EJAA biogenic N=c1c2c(n(Cc3ccc(Cl)c(Cl)c3)c3ccccc13)CCC2 5557441 DFJZIWBALYOZPI-UHFFFAOYSA-N 343.257 4.965 0 50 EJAA COc1cccc2c1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@]21C 257357394 NTOWCXZNUSRHKI-XSRHDBCCSA-N 342.479 4.873 0 50 EJAA CCn1nncc1CN[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 459397278 GUQAMJPIGDGBEJ-GFCCVEGCSA-N 346.887 4.531 0 50 EJAA O=C(NC1(Cc2ccc(Cl)cc2)CCC1)[C@@H](F)c1ccccc1 1436540799 KRSVZMSMWNIXAT-KRWDZBQOSA-N 331.818 4.632 0 50 EJAA Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 121426 VVBLWQQCOFKUTA-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA CC1(C)CC(=O)c2sc(NC(=O)Nc3cccc(Cl)c3)nc2C1 245762 VEQPYPAOYKTOLT-UHFFFAOYSA-N 349.843 4.596 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3c(F)cccc3F)ccc12 612293 AGUFRGANDGKWQM-UHFFFAOYSA-N 344.357 4.911 0 50 EJAA CCN(CC)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 621256 WCOCBANLHHRFHX-UHFFFAOYSA-N 347.915 4.673 0 50 EJAA CCCCc1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1 2835660 USOOUOVUEUCXSH-UHFFFAOYSA-N 342.508 4.567 0 50 EJAA CCCCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 2877129 KKEXUJHSIFQRLW-UHFFFAOYSA-N 344.794 4.998 0 50 EJAA CC(C)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4133112 ITNCIGYKTVOSNI-PKOBYXMFSA-N 326.827 4.866 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 4820421 WHOCDNAWWJSQLK-RTWAWAEBSA-N 337.463 4.892 0 50 EJAA Cc1cccc2c(C(=O)O)cc(-c3cccc(OCC(C)C)c3)nc12 6318520 JPYHOZHIYSTSBE-UHFFFAOYSA-N 335.403 4.943 0 50 EJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 12297576 ADDVETJGYBBFNG-MRXNPFEDSA-N 342.405 4.555 0 50 EJAA Cc1c([C@@H](C)NCc2cccc(Cl)c2)cnn1-c1ccccc1 12710093 BCMIAPXOEBTJCQ-CQSZACIVSA-N 325.843 4.685 0 50 EJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3cc(C)on3)oc2c1 92061647 MMQGUYCEMVNJHF-KRWDZBQOSA-N 338.407 4.713 0 50 EJAA CCOc1ccc(CNCc2cc3c(F)cccc3[nH]2)cc1Cl 2325709746 BMGCBIGXZCLWCZ-UHFFFAOYSA-N 332.806 4.649 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)cc1 121396 ZTYGKCUFWVXYKU-UHFFFAOYSA-N 345.442 4.699 0 50 EJAA O=C(c1ccc(OCc2ccccc2)cc1)c1coc2ccc(O)cc12 446201 UPOAUXQMJXORDV-UHFFFAOYSA-N 344.366 4.948 0 50 EJAA C[C@@H]1CCCN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1 1166993 RKMFYLNHYCBZIB-JSRJAPPDSA-N 340.555 4.909 0 50 EJAA O=C(NCc1ccncc1)c1sc2cc(Cl)ccc2c1Cl 16603933 YFALXQWWBXBGOH-UHFFFAOYSA-N 337.231 4.533 0 50 EJAA O[C@H](CNCc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 19872540 BPAJTQFKTYJJBD-GOSISDBHSA-N 345.801 4.562 0 50 EJAA Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(C(C)C)cc3)ccc12 49967604 HNILRNNOYDOGIY-UHFFFAOYSA-N 349.430 4.796 0 50 EJAA Cc1cccc2cc(CN(C)Cc3ncc[nH]3)c(-c3cccs3)nc12 72473929 XGRBPGIHMBLORO-UHFFFAOYSA-N 348.475 4.627 0 50 EJAA CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1cccc2cnccc12 215530435 SPHCLFYQFHUQPG-HXUWFJFHSA-N 336.435 4.701 0 50 EJAA CCc1noc(CC)c1CN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 225510086 YEYLAVBCHOEMMC-IBGZPJMESA-N 337.467 4.756 0 50 EJAA Cc1coc2ccc(NC(=O)N3CCC[C@H]3c3ccc(O)cc3)cc12 930938986 ZADMOTWUAYLLFO-SFHVURJKSA-N 336.391 4.816 0 50 EJAA CCOc1cccc(NCc2cnc(-c3ccc(Cl)cc3)s2)n1 1308463600 GPTNAQZKPCVSDB-UHFFFAOYSA-N 345.855 4.869 0 50 EJAA Cc1cc(Br)c(NC(=O)[C@@H](C)c2ccccc2)cc1C 476050 CIRQQYLHGFBIBW-ZDUSSCGKSA-N 332.241 4.808 0 50 EJAA CSc1ccccc1C(=O)Nc1ccc(Br)cc1F 1051374 SZKGGDNHEBJGLE-UHFFFAOYSA-N 340.217 4.562 0 50 EJAA O=C(Oc1ccc2ccccc2c1Br)N1CCCCCC1 4522636 ATJBOBIRZRRFER-UHFFFAOYSA-N 348.240 4.977 0 50 EJAA CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1 4867609 FYZSMNARUBPKSD-UHFFFAOYSA-N 337.341 4.674 0 50 EJAA Cc1cc(N2CCCCCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 15839962 MJSCBLNUALPRGO-UHFFFAOYSA-N 338.430 4.533 0 50 EJAA CC[C@@H]1CCCCN1C(=O)c1ccnc(N2c3ccccc3C[C@H]2C)c1 240770086 AVJMTTRNABMBFS-VQIMIIECSA-N 349.478 4.569 0 50 EJAA Cc1cc(C)c(NC(=O)c2ccccc2Br)c(Cl)c1 145243 JQQORCGASIUVJV-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1F 1121455 IXWNYRVLPULVDW-UHFFFAOYSA-N 335.659 4.889 0 50 EJAA COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(Cl)cc1 2760817 RVHLUDJKFFHIBI-UHFFFAOYSA-N 349.839 4.512 0 50 EJAA O=C1c2ccccc2N[C@H](CCc2ccccc2)N1c1ccccc1 4844562 BMQRFOHYPDIMIN-NRFANRHFSA-N 328.415 4.718 0 50 EJAA Cc1c([C@H](C)NCCCc2ccccc2)cnn1-c1cccc(F)c1 12204154 DOOCSNHOPSCUMJ-INIZCTEOSA-N 337.442 4.603 0 50 EJAA c1ccc2c3c([nH]c2c1)[C@H](C1CCCCC1)N(Cc1ncc[nH]1)CC3 12444749 FGRGUJPSVCNTFV-NRFANRHFSA-N 334.467 4.571 0 50 EJAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 21791081 FOMLDQWWSCJVSX-LJQANCHMSA-N 332.403 4.627 0 50 EJAA CC[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccc(F)cc1F 133204829 GHISYKIXRIYMJM-CQSZACIVSA-N 333.363 4.653 0 50 EJAA CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc(C(F)F)nc2ccccc12 170631093 HTDTWJIGOROLGT-DOMZBBRYSA-N 349.425 4.821 0 50 EJAA COc1cc(-c2cccc([C@H](C)N3CCCC3)c2)cc(OC)c1OC 534583220 DKIGCUMCXZZRSN-HNNXBMFYSA-N 341.451 4.536 0 50 EJAA Clc1ccc(NCc2cc3n(n2)CCC3)cc1SCC1CC1 2325824822 RIIDVBKUGLJGQY-UHFFFAOYSA-N 333.888 4.597 0 50 EJAA CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 181815 AGNOOAXBAOPALQ-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(OC)ccc12 227379 UEOSVLXBAAKPPK-UHFFFAOYSA-N 343.810 4.778 0 50 EJAA O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1Cl 309704 DLJRJMPFPAYRSD-UHFFFAOYSA-N 338.278 4.796 0 50 EJAA O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 465541 SLBWRDDGDODRTC-UHFFFAOYSA-N 349.773 4.933 0 50 EJAA CCc1cccc(C)c1NC(=O)COc1ccc(Cl)c(Cl)c1 472137 ITCDTMNACKEKEJ-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA COc1cccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c1 610745 DXPGVQZOBXAYRV-UHFFFAOYSA-N 339.464 4.529 0 50 EJAA Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1Cl 617788 QOTLMIJZRWODLL-UHFFFAOYSA-N 332.812 4.520 0 50 EJAA Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)c(C)c1 1209732 LEBWMOHSRNWEME-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA CC1(C)C[C@]2(C)OC(=O)N(Cc3ccccc3)[C@]2(C)c2ccccc21 1430481 YKHFUHFZOPAGCY-FCHUYYIVSA-N 335.447 4.994 0 50 EJAA CCCN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1 4022131 NMRZQUUJBDMTEU-UHFFFAOYSA-N 336.523 4.606 0 50 EJAA COc1cccc(OC)c1OCCCOc1cccc(C(C)C)c1 4702008 RAPCMSZQWSZZAR-UHFFFAOYSA-N 330.424 4.675 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccn1 6701887 FKTUXNRVEZQMIL-UHFFFAOYSA-N 331.400 4.611 0 50 EJAA c1ccc(Cc2c(-c3ccccc3)ncn2Cc2ccccn2)cc1 65374082 GXNKDCKIXKAUAK-UHFFFAOYSA-N 325.415 4.584 0 50 EJAA CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C 170627098 SIWHGUZOEXLWNQ-ZWKOTPCHSA-N 335.451 4.629 0 50 EJAA CCN(C[C@H]1CCCCO1)C(=O)c1cccc(Oc2ccccc2)c1 220331029 PJOATLLHKBYRMW-HXUWFJFHSA-N 339.435 4.510 0 50 EJAA CCOc1ccccc1CN(C(=O)N[C@H](C)c1ccsc1)C1CC1 534666123 XIMPSBHBJJQILY-CQSZACIVSA-N 344.480 4.582 0 50 EJAA CCCC[C@@H]1CN(Cc2c(Cl)cncc2Cl)C[C@H](C2CC2)O1 1875245911 DLMAURQWRIXSJD-CXAGYDPISA-N 343.298 4.558 0 50 EJAA O=C(Nc1ccc(Cl)c2cn[nH]c12)c1ccc([C@H]2CC2(F)F)cc1 1875405631 KUMGHJNKAXISAS-GFCCVEGCSA-N 347.752 4.591 0 50 EJAA COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1Br 38374 BKOXIKUMOJLRGH-UHFFFAOYSA-N 348.240 4.635 0 50 EJAA Cc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1 144300 VNEWDEDPMYJKRC-UHFFFAOYSA-N 326.403 4.612 0 50 EJAA C[C@H]1CCCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 194956 UXTFMAAQXOVMCR-LPHOPBHVSA-N 325.477 4.779 0 50 EJAA CCC(=O)Oc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 462857 HCORAUQKNCBJBO-UHFFFAOYSA-N 345.398 4.921 0 50 EJAA O=C(CSc1ccc2ccccc2n1)Nc1ccc(F)c(Cl)c1 463837 QTVFRJTWJRPERT-UHFFFAOYSA-N 346.814 4.758 0 50 EJAA O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 559628 VMXWFFOHOMVJMP-UHFFFAOYSA-N 340.181 4.734 0 50 EJAA CCc1ccc(CC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 611353 PGNPFTXFFQKDSS-UHFFFAOYSA-N 331.481 4.537 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)on1 614606 DXISWCOUBRCOTR-UHFFFAOYSA-N 332.281 4.613 0 50 EJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 3517010 NMUXPVMDAYGGGN-UHFFFAOYSA-N 346.839 4.746 0 50 EJAA Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1 4008013 ZMFBCQIFSJQCCS-UHFFFAOYSA-N 335.451 4.634 0 50 EJAA CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccccc1C(C)(C)C 5632385 REWPXUMDEXVILI-MRXNPFEDSA-N 335.532 4.528 0 50 EJAA Cc1ccsc1CN1CCC(c2[nH]ncc2-c2ccccc2)CC1 11912014 KICPEHIUEFRVDT-UHFFFAOYSA-N 337.492 4.826 0 50 EJAA CC(=O)Nc1ccc(Nc2ccc3ccccc3c2)c(NC(C)=O)c1 12379593 XYQMUYPSYWFOTB-UHFFFAOYSA-N 333.391 4.500 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1C 13329541 MDLHMQLVNKTFKS-XHDPSFHLSA-N 332.831 4.612 0 50 EJAA Cc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(Cl)cc3)c2n1 20604785 QLIMJJDVOLEKCD-UHFFFAOYSA-N 339.748 4.769 0 50 EJAA COC(=O)c1cc(-c2ccc(C)cc2)nc2onc(-c3ccccc3)c12 20605860 LNRPGTXTNKEBOC-UHFFFAOYSA-N 344.370 4.652 0 50 EJAA COc1cccc2c(C)cc(NCCc3ccc(Cl)cc3)nc12 23633910 UMRBAROSPFIDLX-UHFFFAOYSA-N 326.827 4.860 0 50 EJAA CSc1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71283289 CWZLMCLMWHCXDX-OAHLLOKOSA-N 327.453 4.844 0 50 EJAA O=C(c1ccc2occc2c1)N1CCCC[C@H]1CCc1cccc(O)c1 91755409 RFHABPLXANWHTC-IBGZPJMESA-N 349.430 4.766 0 50 EJAA O=C([C@@H]1CCCC(F)(F)C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 241173072 KFTXICLFHAGTRC-QAPCUYQASA-N 346.421 5.047 0 50 EJAA Cc1ccsc1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 426389570 DLKMZSOEVJUDSJ-SFHVURJKSA-N 343.492 4.755 0 50 EJAA Cc1nc2sc(C(=O)Nc3ccc(F)cc3)c(N)c2c(C)c1Cl 111510 GWJXPVPMTATSDX-UHFFFAOYSA-N 349.818 4.540 0 50 EJAA COc1ccc(-c2ccccc2)cc1NCc1ccc2c(c1)OCO2 280550 VLDRRWZZRDFCHO-UHFFFAOYSA-N 333.387 4.703 0 50 EJAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 2168854 LFKUJYIIONKBSK-UHFFFAOYSA-N 333.231 4.977 0 50 EJAA Cc1cccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)c1 2171931 XBJTXRXYHYGZIO-UHFFFAOYSA-N 340.206 4.929 0 50 EJAA O=C(Nc1ccccc1Br)c1ccc2ccccc2c1 2679042 CXPULWFDBKXBAF-UHFFFAOYSA-N 326.193 4.855 0 50 EJAA COc1cccc(CCC(=O)Nc2cccc(Cl)c2C)c1Cl 4542830 YORIOUUOWWWAFT-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA O=C(NC1CCCCCC1)c1cc(Br)ccc1Cl 4834399 HSMSOOPQJOBDQM-UHFFFAOYSA-N 330.653 4.555 0 50 EJAA CC(=O)c1ccc(OCc2ccc(C(=O)Oc3ccccc3)cc2)cc1 5013422 XMRAEXNGYSOTQJ-UHFFFAOYSA-N 346.382 4.687 0 50 EJAA Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1C(=O)O 5059895 NKVXBOSFFSYROB-UHFFFAOYSA-N 331.371 4.613 0 50 EJAA CP(c1nc2ccccc2nc1P(C)C(C)(C)C)C(C)(C)C 38266716 DRZBLHZZDMCPGX-UHFFFAOYSA-N 334.384 4.701 0 50 EJAA in-vitro COCc1nn2c(-c3ccccc3)ccnc2c1-c1cccc(Cl)c1 72119220 QWLGMGYCYCHHTE-UHFFFAOYSA-N 349.821 4.863 0 50 EJAA CN(Cc1cc(C2CCCCC2)no1)Cc1cccc2cnccc12 1529162047 SNLNHXZIHJWUCL-UHFFFAOYSA-N 335.451 4.903 0 50 EJAA O=C(O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 112214 URQSXBUBPRZCPZ-UHFFFAOYSA-N 341.370 4.739 0 50 EJAA Cc1c(NC(=O)c2cccs2)cccc1NC(=O)c1cccs1 439948 JRPJWFJZPCYYFQ-UHFFFAOYSA-N 342.445 4.623 0 50 EJAA COc1ccccc1-n1cnc2cc(NCc3cccs3)ccc21 549963 HISKJIMTXSFCDZ-UHFFFAOYSA-N 335.432 4.708 0 50 EJAA O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1 1651832 YOXHQRNDWBRUOL-UHFFFAOYSA-N 329.355 4.594 0 50 EJAA in-vitro Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3Cl)sc2c1 2764865 RNPVDGKWFBETGY-LLVKDONJSA-N 346.839 4.664 0 50 EJAA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2Cl)c1 2870223 GKBMEFDXHPBBNG-UHFFFAOYSA-N 331.843 4.581 0 50 EJAA COC(=O)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 4275544 HBQFVKWXIKKIIF-UHFFFAOYSA-N 346.386 4.843 0 50 EJAA Clc1ccc2c(c1)-c1c(cnc3cc(-c4ccccc4)nn13)CO2 13828450 CTEJLUNYQPLKNX-UHFFFAOYSA-N 333.778 4.609 0 50 EJAA c1ccc(Oc2cccc(CN3CCC[C@H](c4cc[nH]n4)C3)c2)cc1 39455216 RPOZBKSVZOZIQK-SFHVURJKSA-N 333.435 4.582 0 50 EJAA COc1ccc(-c2nccn2[C@@H](C)c2nccs2)c2ccccc12 67946710 SHLYMADLTITAAS-ZDUSSCGKSA-N 335.432 4.778 0 50 EJAA COc1cccc(-c2cccc(NC(=O)N3CCC(F)(F)CC3)c2)c1 96162138 YIYPEIJXXJAXAG-UHFFFAOYSA-N 346.377 4.625 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)o1 239653776 BLHKCRGTBCQZJH-KXBFYZLASA-N 336.416 4.892 0 50 EJAA Cc1cc(Oc2ccc(-c3cscn3)cc2)nc(-c2cccnc2)n1 674081451 RBPZOXFTECTIRO-UHFFFAOYSA-N 346.415 4.763 0 50 EJAA OC1CCC(N[C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 2325720045 HXDMWUWMEMYULD-TXBNBULBSA-N 328.283 4.523 0 50 EJAA O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 285233 GYEGDDXJVFNDOP-UHFFFAOYSA-N 340.426 4.807 0 50 EJAA in-vivo CCOc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 453533 XMLXKIMSMDMOKO-HMMYKYKNSA-N 333.387 4.858 0 50 EJAA CC[C@H](C)c1ccc(-n2c(S)nnc2CCc2ccccc2)cc1 6394376 LIUGBMCLESQDEB-HNNXBMFYSA-N 337.492 4.855 0 50 EJAA CC(C)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 9062769 XHHPSISVWWFVIC-UHFFFAOYSA-N 336.479 4.661 0 50 EJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 12432084 HIEOLCFWYJVLFW-HXUWFJFHSA-N 328.500 4.793 0 50 EJAA Fc1cc(Cl)ccc1Oc1ccc(I)cc1 146505272 IEXUGSMKQYAAQK-UHFFFAOYSA-N 348.542 4.876 0 50 EJAA CC(=O)OCC[C@H](C)CC/C=C(\C)COCOCC[Si](C)(C)C 169832392 GYTRRLQPUIVHHN-BRMCRPDNSA-N 344.568 4.631 0 50 EJAA CCCN(C(=O)c1cc2ccc(C)cc2[nH]1)[C@@H]1CCCc2cccnc21 170598915 KRUIPFOTDISQPM-HXUWFJFHSA-N 347.462 4.801 0 50 EJAA CCCCOc1ccc([C@@H](C)N[C@H](C)c2cc(C)on2)cc1OC 225735033 KKXLUBLJXBRZLL-HUUCEWRRSA-N 332.444 4.582 0 50 EJAA CS[C@H](C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 478224651 IASPGOAVPHBNED-UHOSZYNNSA-N 343.467 4.682 0 50 EJAA COc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 151144 ZDUMRHIRELUSSF-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 175996 IJYFXEWRPTXMBE-UHFFFAOYSA-N 348.333 4.592 0 50 EJAA biogenic Cc1cc(C)nc(SCC(=O)N(c2ccccc2)c2ccccc2)n1 273580 PCKNTISFYJSVFD-UHFFFAOYSA-N 349.459 4.550 0 50 EJAA CCc1ccc(OCc2ccc(C(=O)NC3CCCCC3)cc2)cc1 372335 GXLFRGGCKSOSTD-UHFFFAOYSA-N 337.463 4.891 0 50 EJAA COc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 433955 RJUSLWSMPMGVSS-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl 612836 LVSWGFXYXLQABN-FQEVSTJZSA-N 348.833 4.820 0 50 EJAA COc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 619310 MLZKPKJGEMQKSK-UHFFFAOYSA-N 326.343 4.523 0 50 EJAA Nc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1cccc(Cl)c1 2508453 XETCNESFCWPYJK-UHFFFAOYSA-N 337.732 4.794 0 50 EJAA FC(F)(F)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ccnn21 2766726 MJFAUAGMMKWIQU-WDEREUQCSA-N 336.144 4.850 0 50 EJAA Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1 4542127 MHHJHGNDXALPIQ-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA COc1cc(NC2CCC(c3ccccc3)CC2)cc(OC)c1OC 4981637 PHEJTCWFBZKJKX-UHFFFAOYSA-N 341.451 4.851 0 50 EJAA COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 5481574 OPTXFTDSSLASSW-UHFFFAOYSA-N 347.842 4.664 0 50 EJAA CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 13130636 AJAHXBHUQRMZKI-ITWOAWKNSA-N 330.431 4.830 0 50 EJAA COc1ccc(C)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 17071214 OKFSIGSBWDQUPX-UHFFFAOYSA-N 340.370 4.831 0 50 EJAA C(=C/c1ccccn1)\c1ccc(-n2ccnc2[C@H]2CCCCO2)cc1 67677956 DZEHWMGTGFCXKP-JRMCHAMMSA-N 331.419 4.679 0 50 EJAA COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)c(F)c1 97757104 CJKPRZJGOKLODG-UHFFFAOYSA-N 336.362 4.858 0 50 EJAA FC(F)(F)CCCNc1nc(-c2ccccn2)nc2sccc12 858430059 OLPLUGIDWDQKPF-UHFFFAOYSA-N 338.358 4.508 0 50 EJAA Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc([C@@]2(C)CC2(F)F)cc1 1875405429 GDVDDOMWSKWYEY-BFUOFWGJSA-N 347.380 4.922 0 50 EJAA CC(C)c1ccc(F)c(C(=O)NCC[C@H]2CCc3ccccc32)c1 2325864270 KVUKPMCQQNNWRL-MRXNPFEDSA-N 325.427 4.799 0 50 EJAA CC[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(C)cc1 371106 UPBRHENJRGTYPP-MRXNPFEDSA-N 332.241 4.639 0 50 EJAA Cc1ccc2nc(-c3cccc(OCC(C)C)c3)cc(C(=O)O)c2c1 373471 KQCMTINULIFPGT-UHFFFAOYSA-N 335.403 4.943 0 50 EJAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 374843 LIAUUTUHJQBKJY-GFCCVEGCSA-N 334.529 4.544 0 50 EJAA Cc1noc(C)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 529368 WOZSONGKTNOAAR-UHFFFAOYSA-N 342.782 4.989 0 50 EJAA Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1C 619388 NASNBDYPTMSKQX-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA O=C(CSc1ccc2ccccc2n1)Nc1ccnc2ccccc12 1071197 VBHMLIVWGHPOGL-UHFFFAOYSA-N 345.427 4.514 0 50 EJAA CCC(C)(C)C1CCC(NC(=S)Nc2ccccc2OC)CC1 2782092 LRGLZOWWWIEYHI-UHFFFAOYSA-N 334.529 4.977 0 50 EJAA COc1ccc(C)cc1NC(=O)c1ccc(Cc2ccc(C)cc2)o1 2828680 XRGRUMLLPNHMIW-UHFFFAOYSA-N 335.403 4.748 0 50 EJAA CC(C)C[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 5086186 JOWMRZNLWNXGJK-LBPRGKRZSA-N 346.283 4.715 0 50 EJAA Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2CC(C)C)n1 11998058 CWBWCLOQWOCAAY-HXUWFJFHSA-N 347.462 4.657 0 50 EJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccco2)cc1 12003237 JKVRAPCWLHSUQM-HXUWFJFHSA-N 349.478 4.930 0 50 EJAA C[C@H]1CCc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2C1 13328022 YHXGJFQYYXUXRW-QMMMGPOBSA-N 341.263 4.827 0 50 EJAA Cc1ccccc1CNc1nncc(-c2cccc3ccccc23)n1 15079575 QVFSXTGDWIKAFU-UHFFFAOYSA-N 326.403 4.612 0 50 EJAA CC1(C)CC(=O)C(C2c3ccccc3Sc3ccccc32)C(=O)C1 100720848 VWYRVQDOHMMQTD-UHFFFAOYSA-N 336.456 4.858 0 50 EJAA Cc1coc(-c2cccc(NC(=O)N3CCC[C@@H]3c3ccco3)c2)n1 158603851 AVXVBZNJYAEJAL-MRXNPFEDSA-N 337.379 4.612 0 50 EJAA Cc1ccccc1-c1cc(NC(=O)[C@H]2C[C@@H]2C)n(Cc2ccccc2)n1 1359876541 ZQQBBOFZRQIMLT-LPHOPBHVSA-N 345.446 4.501 0 50 EJAA Cc1nc2cc(Nc3cc(-c4cccc(Cl)c4)ncn3)ccc2n1C 1458205217 KMMDPCSKKDPHPH-UHFFFAOYSA-N 349.825 4.736 0 50 EJAA C[C@H](Sc1ncnc2[nH]cnc12)c1ccc(Cl)cc1Cl 1875259268 YRHVOIREBKIBQL-ZETCQYMHSA-N 325.224 4.513 0 50 EJAA c1cc(CN[C@H]2CCCSc3ccccc32)cc(Cn2ccnc2)c1 2325742099 PXDPBDULBZVYPT-FQEVSTJZSA-N 349.503 4.648 0 50 EJAA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(Cl)cc2)c1 37941 ZCGBDRFQZBRPHE-UHFFFAOYSA-N 331.843 4.963 0 50 EJAA CC(C)OC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1N 115309 CRQCVYUADPRKGV-UHFFFAOYSA-N 330.236 4.869 0 50 EJAA O=C(NCCc1ccccc1)C1C(c2ccccc2)=C1c1ccccc1 1168325 PCUAQCFDTDCSJL-UHFFFAOYSA-N 339.438 4.586 0 50 EJAA COC(=O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 1388814 YWODRFOXLUMXRD-UHFFFAOYSA-N 343.835 4.846 0 50 EJAA O=C(Nc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1 4656196 ACFDHRGCMPAHBH-UHFFFAOYSA-N 342.192 4.961 0 50 EJAA Cc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1 5193465 DDXLMKGMXCUBRM-UHFFFAOYSA-N 340.429 4.721 0 50 EJAA Cc1cccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)n1 8656999 ZQBLXTFAYJASHR-UHFFFAOYSA-N 334.448 4.943 0 50 EJAA O=C(CCC1CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 16604302 DBYNYRUDTUNVNL-UHFFFAOYSA-N 342.483 4.612 0 50 EJAA CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccc(Oc3ccccc3)cn2)CCO1 296242429 AXTMGCRZPWTRFS-XGHQBKJUSA-N 340.467 4.728 0 50 EJAA CCN(C[C@H]1CCCCO1)c1ccnc2c(C(F)(F)F)cccc12 1529178875 SJWUCQGZZOGIEL-CYBMUJFWSA-N 338.373 4.649 0 50 EJAA COc1ccc(O)c(-c2cc(C)nc3cc(C(F)(F)F)ccc23)c1 1772708422 GZIWKPQFXSDARB-UHFFFAOYSA-N 333.309 4.943 0 50 EJAA O=C(Nc1cnc2c(F)cccc2c1)[C@]12CCCC[C@H]1CC(F)(F)C2 1875328631 CMOXZVZLOHSVQI-UGSOOPFHSA-N 348.368 4.918 0 50 EJAA Cc1nc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cs1 387101 FINKDKQXDWNVOC-UHFFFAOYSA-N 342.851 4.953 0 50 EJAA CCc1c(C)c2ccc(OCc3ccc(F)cc3F)c(C)c2oc1=O 616781 FFUIROKNMYJYBN-UHFFFAOYSA-N 344.357 4.829 0 50 EJAA Cc1cc(C)n(-c2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn23)n1 2208275 IEIDEOKEMNEDSG-UHFFFAOYSA-N 345.450 4.631 0 50 EJAA Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(Cl)cc1 2532547 JHFFAUNKKUHMEL-UHFFFAOYSA-N 348.631 4.537 0 50 EJAA Cc1cc(NC(=O)Nc2ccccc2)nn1Cc1ccc(Cl)cc1 2765928 UCNRYMTYYUXBOY-UHFFFAOYSA-N 340.814 4.537 0 50 EJAA CCc1ccc2nc(C)c(CN(CC)Cc3ccccc3)c(O)c2c1 8572498 DEFFWMZIWMYFSZ-UHFFFAOYSA-N 334.463 4.833 0 50 EJAA Cc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 55142289 BILMTQVXGSTKCK-UHFFFAOYSA-N 335.278 4.624 0 50 EJAA Cc1c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)[nH]c2ccccc12 77377274 WGMAEAVHIGQSQL-LJQANCHMSA-N 336.410 4.983 0 50 EJAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccccc1Cl 154684374 LSOIAJVYMRDMTJ-YVEFUNNKSA-N 345.874 4.537 0 50 EJAA C[C@@H](Nc1ccc(F)cc1OCC(F)F)c1nc2ccccc2o1 182072554 MXCQJCHWBYRQBG-SNVBAGLBSA-N 336.313 4.784 0 50 EJAA Cc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 189371590 CCRRPJVUDUJOMI-QAPCUYQASA-N 332.488 4.691 0 50 EJAA CC(C)/C=C/CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 199303147 SKHZJWRWZXBWSP-SNAWJCMRSA-N 327.447 4.607 0 50 EJAA CC(C)c1ccoc1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 671214725 VTQADKQAUDDLHN-INIZCTEOSA-N 338.407 4.912 0 50 EJAA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(F)c2)cc1 104547 AXRCKONAGUYKOX-HXUWFJFHSA-N 332.378 4.905 0 50 EJAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C=C(C)C 148993 VUYGWCVSYQZBFR-UHFFFAOYSA-N 347.411 4.636 0 50 EJAA O=C(O)/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 169771 GHIXOMKXVXTZOO-RCCKNPSSSA-N 330.383 4.891 0 50 EJAA in-vitro C=CC(=O)N1c2cc(OC)ccc2-c2c(ssc2=S)C1(C)C 292627 HMIOAWVYUZNEEB-UHFFFAOYSA-N 349.502 4.982 0 50 EJAA Cc1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1-c1ccccc1 433189 SPENXZLRELZAQV-FMIVXFBMSA-N 338.407 4.910 0 50 EJAA CCCCOc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 2827004 VWWNAOGANBMEKN-UHFFFAOYSA-N 327.424 4.582 0 50 EJAA CCOC(=O)c1cccc(NC(=S)Nc2ccc(C)c(Cl)c2)c1 2854569 ZHRRAZOIUVGJIA-UHFFFAOYSA-N 348.855 4.634 0 50 EJAA O=c1c2ccccc2ncn1CCCCSc1ccc(Cl)cc1 3461375 ZWVMZQPQEVIZHA-UHFFFAOYSA-N 344.867 4.622 0 50 EJAA Cn1cc(CN2CC=C(c3ccccc3)CC2)c(-c2ccccc2F)n1 12704669 NHEXBJLFVKLLPR-UHFFFAOYSA-N 347.437 4.516 0 50 EJAA CSc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1 13320021 NVMSGLLXSHLGPZ-UHFFFAOYSA-N 330.497 4.746 0 50 EJAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H](C2CC2)C1 685856091 CJXSCLDYQQGOMD-AWEZNQCLSA-N 329.827 4.862 0 50 EJAA Cc1cc(SCc2ccccc2Cl)nc(-c2ccccn2)n1 1163037583 WZEGXTMGUZZMDV-UHFFFAOYSA-N 327.840 4.793 0 50 EJAA Cc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 220346 OEWDYUAQLAWLKW-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 578865 DLKBAAHPPMKIGM-UHFFFAOYSA-N 345.398 4.527 0 50 EJAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 1066783 ANNJLWLCBAPCCP-LBPRGKRZSA-N 345.830 4.512 0 50 EJAA Cc1ccc(NC(=O)c2ccc(Br)s2)cc1Cl 2764511 DFMBUJKAEYXJMV-UHFFFAOYSA-N 330.634 4.725 0 50 EJAA COc1ccccc1[C@@H](NCc1cc(C)on1)c1ccccc1Cl 172920858 SWPQVPRRJXEGQK-IBGZPJMESA-N 342.826 4.524 0 50 EJAA Fc1ccc2c(C3CCN([C@H]4CCc5ccccc54)CC3)noc2c1 685591188 ACBRVAOCJUFVGE-IBGZPJMESA-N 336.410 4.834 0 50 EJAA CCOc1cc(N[C@@H](C)c2ccc(Br)nc2)ccc1C 810234577 FUUDYTUZBAPZLK-LBPRGKRZSA-N 335.245 4.724 0 50 EJAA c1ccc(CCC[C@H]2CCCN(c3noc(-c4ccccc4)n3)C2)cc1 2325841702 DKKPQAVKRWRNHW-IBGZPJMESA-N 347.462 4.976 0 50 EJAA COC(=O)c1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)cc1 2356168566 JCEIUXDHAWCAFO-UHFFFAOYSA-N 340.329 4.557 0 50 EJAA Brc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 23693 KEPQCZGPWRNPCZ-UHFFFAOYSA-N 329.222 4.979 0 50 EJAA biogenic O=C(NCCc1ccccc1)c1ccc(CSc2ccccc2)cc1 444307 HQHDLWQYYHWWCU-UHFFFAOYSA-N 347.483 4.951 0 50 EJAA Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(C(C)C)cc1 450594 RUCUXFVBDABKQN-UHFFFAOYSA-N 326.465 4.554 0 50 EJAA Cc1cccc(OCCCC(=O)Nc2cccc(Br)c2)c1 1775862 YHPRBSXOGAVZKP-UHFFFAOYSA-N 348.240 4.555 0 50 EJAA CCOc1cccc(OCCOc2c(Cl)cccc2Cl)c1 2985562 WDPQXJOTPNMYPI-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA O=C(OC12CC3CC(CC(C3)C1)C2)c1ccccc1Br 3959864 UPQJBCGQXPQJTA-UHFFFAOYSA-N 335.241 4.575 0 50 EJAA O=c1c(Oc2ccc(-c3ccccc3)cc2)coc2cc(O)ccc12 5999747 AZNMOOFYRUZYCH-UHFFFAOYSA-N 330.339 4.958 0 50 EJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)C2=CCCCC2)C1 15063992 LXPAHPOUJWPWID-LJQANCHMSA-N 349.478 4.502 0 50 EJAA O=C(Nc1ccc(CCc2ccccn2)cc1)c1cc2ccccc2o1 45222012 QXDTWQFXZSQHCW-UHFFFAOYSA-N 342.398 4.865 0 50 EJAA O[C@H](c1cc2ccccc2s1)c1cc(Br)ccc1F 131188406 BUUJMMYEBTVSHQ-HNNXBMFYSA-N 337.213 4.885 0 50 EJAA in-vitro O=C(N[C@H]1CCCc2occc21)C1(c2cccc(Cl)c2)CCC1 219645943 GOIOQUMESZTVLI-INIZCTEOSA-N 329.827 4.549 0 50 EJAA Cc1cc(NC(=O)c2oc(CC3CC3)nc2C)ccc1C(F)(F)F 239882242 DARRVLYZWPVJAB-UHFFFAOYSA-N 338.329 4.515 0 50 EJAA O=C(c1cncc2ccccc12)N1CC2(CC=CC2)[C@H]1c1ccccc1 2325868628 DLOVXOFQIVMJMB-OAQYLSRUSA-N 340.426 4.768 0 50 EJAA CCOC(=O)N1CCCc2ccc(NC[C@H]3CCC[C@H](F)C3)cc21 2325874592 SQBOJBZIWBHCQC-HOCLYGCPSA-N 334.435 4.536 0 50 EJAA COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1 1465 OPYFPDBMMYUPME-UHFFFAOYSA-N 348.324 4.780 0 50 EJAA in-man O=C(NCc1ccco1)c1ccc(-c2ccc(Cl)cc2Cl)o1 449455 WGWQIMARKJJVJF-UHFFFAOYSA-N 336.174 4.776 0 50 EJAA O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccco1 4841240 XFDSGWULPCGTJM-UHFFFAOYSA-N 337.766 4.729 0 50 EJAA O=C1Nc2cc3ccccc3cc2[C@](c2ccccc2)(C(F)(F)F)N1 6530131 DCKHLQIMHAFHKH-GOSISDBHSA-N 342.320 4.781 0 50 EJAA C[C@@H](CC(=O)N1CCCC[C@@H](C)C1)c1ccccc1C(F)(F)F 170598799 YUEYDLABPLJROX-KGLIPLIRSA-N 327.390 4.848 0 50 EJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccsc1 669864733 DBJOXGFXNYVCNI-MNOVXSKESA-N 325.886 4.760 0 50 EJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)C[C@H]2C=CCC2)cc1Cl 828047866 QIXKWLFFRJBQSI-LBPRGKRZSA-N 334.847 4.619 0 50 EJAA Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2C)c1 1875296882 SUBCLOGPCOVUNQ-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@H](CC(C)C)c1ccccc1 2325841565 AANRYMNKLDOUFZ-DENIHFKCSA-N 325.496 4.523 0 50 EJAA CC(C)(C)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 140511 IMYBDPYIGPECID-UHFFFAOYSA-N 329.252 5.000 0 50 EJAA CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1Cl 151816 ZEJCRVCORCQXBL-UHFFFAOYSA-N 325.191 4.784 0 50 EJAA O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 297495 BCJMDIDQGYWIAO-OAQYLSRUSA-N 326.399 4.678 0 50 EJAA C[C@H](NC[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 406581 FOINBVXLWLHZNX-HKUYNNGSSA-N 344.458 4.506 0 50 EJAA Cc1cc(C)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 441571 MNHNGPKPXSRRTD-UHFFFAOYSA-N 331.843 4.900 0 50 EJAA CCCCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1772078 BSMZBFPTDPCTRU-UHFFFAOYSA-N 340.375 4.773 0 50 EJAA biogenic CCCOC(=O)c1ccc(NC(=O)c2csc3ccccc23)cc1 2103274 GVIFPUMWNHDBSU-UHFFFAOYSA-N 339.416 4.720 0 50 EJAA Nc1ncc(CSc2ccccc2)c(Sc2ccccc2)n1 2581979 PSOPRKLNEVTOIM-UHFFFAOYSA-N 325.462 4.502 0 50 EJAA COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2775729 SDNWWZWDIUFHFG-UHFFFAOYSA-N 332.186 4.995 0 50 EJAA COc1cc(C=O)ccc1OC(=O)N(c1ccccc1)c1ccccc1 4294172 WGIOJTZTNRCUDV-UHFFFAOYSA-N 347.370 4.845 0 50 EJAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(F)cc1 13321290 YCUHUKYNWRFRLP-UHFFFAOYSA-N 332.444 4.941 0 50 EJAA Cc1ncc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)s1 19789069 DWZHFTRFAMOPHE-AWEZNQCLSA-N 348.899 4.508 0 50 EJAA c1ccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22877093 IGBRRSIHEGCUEN-XMMPIXPASA-N 348.534 4.921 0 50 EJAA in-vitro Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1 35511455 QGCHFHZMCSBKCS-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA C[C@H](O)Cn1cnc(-c2ccccc2)c1-c1ccccc1-c1ccco1 65417677 MNHMKHJISJNACE-INIZCTEOSA-N 344.414 4.858 0 50 EJAA FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ccccn3)C2)c1 71764409 LSYSUJQVFLXZBN-KRWDZBQOSA-N 348.412 4.945 0 50 EJAA O=C(c1ccnc2ccccc12)N1CCCC[C@H]1c1ccc(F)cc1 77457787 LPQFNVBWCZSMOK-FQEVSTJZSA-N 334.394 4.741 0 50 EJAA CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCc2cccs2)s1 82121117 KDRYNKVXMXYKNE-AWEZNQCLSA-N 347.505 4.640 0 50 EJAA C[C@@H](c1cccc(-c2cc(F)c3[nH]c(=N)sc3c2)c1)N1CCCC1 426421145 LHNLODNOTIRINA-LBPRGKRZSA-N 341.455 4.672 0 50 EJAA CC1(C)CC[C@@H](N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 1258601791 DXLNUJBSSIDMOY-MRXNPFEDSA-N 341.417 4.568 0 50 EJAA Cc1c(C)c(CSc2nccn2C)c(C)c(C)c1Br 208694 WPEOOFDFPFSIBK-UHFFFAOYSA-N 339.302 4.709 0 50 EJAA Cc1nn(C)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 2740935 UKMAEKWJRWVCOI-UHFFFAOYSA-N 331.750 4.677 0 50 EJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(C)c2C)s1 5950077 RQBXHSQOTLYQKS-UHFFFAOYSA-N 348.493 4.523 0 50 EJAA COc1ccc(-c2[nH]c(C)c(C(C)=O)c2-c2ccc(OC)cc2)cc1 71770299 ZLFXBMYNWBNJFH-UHFFFAOYSA-N 335.403 4.877 0 50 EJAA Cc1nc([C@@H](C)N(C)Cc2ccc(CN3CCCC3)s2)c(C)s1 215559489 FXDUSYUKELIMSL-CYBMUJFWSA-N 349.569 4.610 0 50 EJAA CCCCOc1ccc(C)cc1-c1c[nH]c(C(=O)N2CCCCC2)c1 426444462 GFKURSQBWQXDKG-UHFFFAOYSA-N 340.467 4.795 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4n[nH]cc4C)cc3)sc2c1 669593977 PJNBHVBFPMRRRX-UHFFFAOYSA-N 348.431 4.556 0 50 EJAA Cc1cccc([C@@H](C)NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c1 2325870623 HIIKQJTUSIGWHZ-GFCCVEGCSA-N 346.352 4.986 0 50 EJAA CSc1nc2sc3c(c2c2nnc(C)n12)CC[C@@H](C(C)(C)C)C3 118002 RNWLYPCFSGDYNA-SNVBAGLBSA-N 346.525 4.520 0 50 EJAA O[C@@H](COCc1ccccc1)CN(C1CCCCC1)C1CCCCC1 303989 DTEMPXLYQBOHLH-JOCHJYFZSA-N 345.527 4.532 0 50 EJAA O=C(Sc1ncccn1)N1c2ccccc2Sc2ccccc21 316957 WUJFZIGOMVWCNP-UHFFFAOYSA-N 337.429 4.992 0 50 EJAA CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)c(Cl)c1 443249 VTDGWCGVSSRAKI-MRXNPFEDSA-N 335.234 4.970 0 50 EJAA CCCOc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 2050780 UXCDYRDCMWDZNT-UHFFFAOYSA-N 331.415 4.980 0 50 EJAA CCCc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(Cl)cc12 2995773 STXLJMBFNJPXIJ-UHFFFAOYSA-N 342.778 4.618 0 50 EJAA Cc1ccc(C(C)C)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 4950989 XJASNSGWIDVLAU-UHFFFAOYSA-N 341.495 4.582 0 50 EJAA COc1cccc2c(C)cc(NCCc3cccc(Cl)c3)nc12 5005696 KIDHHOWTHOMYHZ-UHFFFAOYSA-N 326.827 4.860 0 50 EJAA Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1C 64984629 AGCGVIDERZASLB-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2CCF)c1)N(C)C 65503683 MENNNFBUJYPOST-INIZCTEOSA-N 337.442 4.809 0 50 EJAA COC1=NC(C)=C[C@H](C(O)(c2ccccc2)c2ccccc2)C=C[C@@H]1C 101036328 IIMBFCGBBCBRNL-LAUBAEHRSA-N 347.458 4.693 0 50 EJAA C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 101641306 QQKRIDPKLWUPHG-BLFANLJRSA-N 327.255 4.940 0 50 EJAA CO[C@@H](C)c1nc(C)c(C(=O)N2CCCCC[C@H]2CC(C)C)s1 176849492 POVIWYLCSOSZFF-GJZGRUSLSA-N 338.517 4.590 0 50 EJAA COc1cccc(CO[C@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c1 221673553 TUBWQLBEFSFOMZ-PSMGESJCSA-N 336.884 4.783 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 1704339272 HKLKYRYKQXJGRS-FYYLOGMGSA-N 349.474 4.775 0 50 EJAA CC(C)(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 129394 ZXUFWXHZCWBUGI-UHFFFAOYSA-N 332.241 4.999 0 50 EJAA Cc1cc(NC(=O)CCCc2ccccc2)ccc1Br 303487 SFJUBXKUZHTLML-UHFFFAOYSA-N 332.241 4.719 0 50 EJAA COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1 337683 CAQWWTRHRVNPPB-UHFFFAOYSA-N 342.247 4.976 0 50 EJAA O=C1C[C@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)CCC3 427588 PUEOKSJXBVFEHC-CYBMUJFWSA-N 332.230 4.956 0 50 EJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c(C)c2)c1 467428 XEPFKERKHWNVBT-UHFFFAOYSA-N 344.842 4.948 0 50 EJAA Cc1ccc(SCCNC(=O)c2ccc(Cl)cc2Cl)cc1 2979885 MFZBKFBMFGEXTC-UHFFFAOYSA-N 340.275 4.824 0 50 EJAA CC(C)(C)c1csc(NC(=O)c2cc(F)c(F)cc2Cl)n1 12381785 LJWCMUQFLWYPOX-UHFFFAOYSA-N 330.787 4.625 0 50 EJAA Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1 13320496 VXDVOGPJTORJMY-UHFFFAOYSA-N 329.709 4.706 0 50 EJAA Cn1c(/C=C/c2ccc(C(=O)c3ccccc3)o2)nc2ccccc21 15659573 UYWILYDLVISGSA-WYMLVPIESA-N 328.371 4.568 0 50 EJAA FCCCN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67491186 GLOSDOSGDPTKSL-UHFFFAOYSA-N 336.410 4.726 0 50 EJAA FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1 115027658 UCWSAUMVNSJJNZ-UHFFFAOYSA-N 334.341 4.660 0 50 EJAA Cc1cc([C@@H]2CCCN2C(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)no1 169986868 UGVKFXFQQIKFEY-DOTOQJQBSA-N 345.443 4.518 0 50 EJAA C[Si](C)(CCC(F)(F)F)N[Si](C)(C)CCC(F)(F)F 195762194 ITRFWRDOAWGZFV-UHFFFAOYSA-N 325.445 4.891 0 50 EJAA in-vitro COc1ccc(SC[C@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cc1 248128464 MLARQDLTIVCLRN-UZLBHIALSA-N 345.483 4.662 0 50 EJAA C[C@H](N[C@H](c1ccncc1)C1CC1)c1ccc(-c2ccccc2)cn1 898320330 LFVYLAZPHLWMFE-AOMKIAJQSA-N 329.447 4.946 0 50 EJAA O=C(N1CCCc2occc2C1)N1CCCc2ccc(C(F)F)cc21 1875338967 RTJSQXKRNYUQBX-UHFFFAOYSA-N 346.377 4.538 0 50 EJAA C[C@@H](NCc1ccsc1)c1ccc(-n2cnc3ccccc32)cc1 2325722325 USWCKYNAWODRRT-OAHLLOKOSA-N 333.460 4.938 0 50 EJAA O=C(Nc1cccc2c(NC(=O)c3ccco3)cccc12)c1ccco1 38842 WXUKCQPPNVZSQH-UHFFFAOYSA-N 346.342 4.530 0 50 EJAA Cc1cccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 466813 PSLVPDKGACERMM-UHFFFAOYSA-N 335.378 4.965 0 50 EJAA aggregator CC(C)(C)c1ccc(OCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 2865711 NODKOTZNUYLQJJ-UHFFFAOYSA-N 346.496 4.756 0 50 EJAA CCOc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 2881856 PKLJEOQSSSVFFF-KRWDZBQOSA-N 347.414 4.721 0 50 EJAA Cc1ccc(-c2n[nH]cc2C(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 8837793 WSGGSXDUYWFENC-UHFFFAOYSA-N 334.419 4.619 0 50 EJAA C[C@H]1CCCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)C1 13497295 FXLMJOJNRSLCFI-HNNXBMFYSA-N 325.481 4.859 0 50 EJAA COc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 18085409 ASTLZMIIVJHCMV-UHFFFAOYSA-N 343.386 4.755 0 50 EJAA COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC2 69616917 FZJUPOQMWIJNIJ-IBGZPJMESA-N 336.435 4.553 0 50 EJAA COc1ccc(C(=O)[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 71770579 LSQPQMIEMBQSGT-JOCHJYFZSA-N 346.426 4.913 0 50 EJAA CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1 132309071 UWAQZJXFHUZXFC-UHFFFAOYSA-N 326.396 4.616 0 50 EJAA CCc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 239935 SSVIQZQURYFUJX-UHFFFAOYSA-N 348.412 4.590 0 50 EJAA COc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)cc1Cl 387717 LITUPMCNTULNRE-UHFFFAOYSA-N 333.746 4.795 0 50 EJAA CC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 547142 VIHKXMTUAAAEBX-UHFFFAOYSA-N 336.338 4.767 0 50 EJAA C[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 1192847 KVJIMMQVXHIWBU-LJQANCHMSA-N 343.470 4.956 0 50 EJAA C[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 1926804 YEFHJBMRKNPZCT-CQSZACIVSA-N 344.842 4.602 0 50 EJAA COc1cccc(C(=O)N[C@H](c2ccccc2)c2cc(C)ccc2C)c1 2849026 WZWYSHPCOURSJD-JOCHJYFZSA-N 345.442 4.831 0 50 EJAA COc1cccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 64984534 DMHUVKXKRIOYLJ-IBGZPJMESA-N 342.414 4.984 0 50 EJAA O=C(N[C@@H]1CCCc2occc21)C1(c2cccc(Cl)c2)CCC1 219645866 GOIOQUMESZTVLI-MRXNPFEDSA-N 329.827 4.549 0 50 EJAA O=c1cc(-c2ccc(Br)cc2)oc2ccc(Cl)cc12 57788 OKFJOQWIJPOHNX-UHFFFAOYSA-N 335.584 4.876 0 50 EJAA biogenic,in-vitro CCOC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12 284658 XFAPUHCSVGLBRL-UHFFFAOYSA-N 343.810 4.534 0 50 EJAA Cc1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 307554 XKBYZWVSZHLMEO-UHFFFAOYSA-N 328.415 4.972 0 50 EJAA O=C(Cc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 442213 VZXIDIJVTTXCNG-UHFFFAOYSA-N 335.834 4.788 0 50 EJAA Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3s2)c1 445453 OBIGLPZQTIQTKY-UHFFFAOYSA-N 328.462 4.644 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 452657 MAXFNBCANQEHPB-ZDUSSCGKSA-N 340.492 4.944 0 50 EJAA CCCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 1748142 SYPGOLFRXWJJNB-UHFFFAOYSA-N 347.842 4.845 0 50 EJAA O=C(NCc1ccco1)c1ccc(COc2cccc3ccccc23)o1 2602542 SSJNZRMJLAYSDU-UHFFFAOYSA-N 347.370 4.535 0 50 EJAA Cc1cc(C)cc(NC(=O)c2c3c(nc4ccccc24)CCCC3)c1 4542251 FEZPPZRYRGLWLX-UHFFFAOYSA-N 330.431 4.983 0 50 EJAA C/C=C/c1ccc(OCCn2cnc3cc(C)c(C)cc32)c(OC)c1 4759601 HIJSQKVUEYUCQD-AATRIKPKSA-N 336.435 4.774 0 50 EJAA CNCCC[C@]1(c2ccc(Cl)cc2)OC(C)(C)c2ccccc21 5765939 HXEFLJYQNKUXNR-HXUWFJFHSA-N 329.871 4.849 0 50 EJAA Cc1cc(C)nc(Nc2nc(-c3ccccc3)c3cc(F)ccc3n2)n1 16624835 DCIXNGXXGGZTBU-UHFFFAOYSA-N 345.381 4.586 0 50 EJAA c1ccc(Cc2nc3nccc(-c4cccc5ccccc45)n3n2)cc1 72115419 WKKQCGPHNARYAT-UHFFFAOYSA-N 336.398 4.535 0 50 EJAA Cc1ccccc1SC1CCN(C(=O)c2c(F)cccc2F)CC1 77321132 FPELFXLMOVWNCN-UHFFFAOYSA-N 347.430 4.670 0 50 EJAA COCCC[C@@H]1CCCN(C(=O)Nc2c(C)ccc3ccccc23)C1 95519817 ZNJYRUPLASNDKE-KRWDZBQOSA-N 340.467 4.819 0 50 EJAA CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccc(Oc3ccccc3)cn2)CCO1 296242423 AXTMGCRZPWTRFS-CSODHUTKSA-N 340.467 4.728 0 50 EJAA CCN(Cc1ccccc1Oc1cccnc1)[C@@H]1CCOC(C)(C)C1 810043407 UVPVTEPUOHVEGN-GOSISDBHSA-N 340.467 4.653 0 50 EJAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1 90410 NLEXBLJPTZVTNN-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)o1 198796 JFPKGYFXFUEYSU-UHFFFAOYSA-N 334.984 4.601 0 50 EJAA COc1cc(NC(=O)CCC2CCCCC2)c(OC)cc1Cl 311246 MSKWESYAGSKBTN-UHFFFAOYSA-N 325.836 4.656 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 859580 UXDZUQISTYCAAB-LFYBBSHMSA-N 326.827 4.592 0 50 EJAA COc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526027 BEFGVWSNEYUJDH-UHFFFAOYSA-N 327.767 4.570 0 50 EJAA CCCC[C@@H]1CN(Cc2cccc3nccnc23)Cc2ccccc2O1 12051873 XZMFIUJCYAQKHW-LJQANCHMSA-N 347.462 4.583 0 50 EJAA CC(=O)c1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1 13931248 TUDBWOFUMHJYQF-CQSZACIVSA-N 326.465 4.554 0 50 EJAA Cc1ccc(F)cc1NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C 173044028 ILCZDMLOWVDLNM-UHFFFAOYSA-N 343.789 4.534 0 50 EJAA O=C(c1cc2sccc2[nH]1)N1CC[C@@H](c2ccccc2Cl)C1 223241505 JZFAQEFFSFHUOT-LLVKDONJSA-N 330.840 4.513 0 50 EJAA CN(C)C(=O)c1ccc(N[C@H](c2cccs2)C2CCCCC2)nc1 1704352789 JPSODSMLVYNDCB-SFHVURJKSA-N 343.496 4.578 0 50 EJAA Cc1ccc(Oc2ccccc2CNc2ncnc3ncccc23)cc1 1776004150 HIIZWOWGJCNYNB-UHFFFAOYSA-N 342.402 4.738 0 50 EJAA Clc1cccc(C2(CN[C@H](c3cccnc3)C3CCC3)CC2)c1 1875337415 UKASPWZSAHRWAQ-IBGZPJMESA-N 326.871 4.898 0 50 EJAA C[C@@H](NCc1cccc(C(C)(F)F)n1)c1ccc2cnccc2c1 2325777868 LHHMTYJDYSJYHZ-CYBMUJFWSA-N 327.378 4.592 0 50 EJAA Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccc(Cl)cc1 112819 NCAUYMSUKWBKQE-UHFFFAOYSA-N 340.839 4.693 0 50 EJAA aggregator COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2C)cc1 260306 QZUPOAMVAVHUBT-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA CC(C)(C)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 287702 OTJSCTXBYPZDIB-UHFFFAOYSA-N 333.225 4.966 0 50 EJAA COc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 2548656 DMVCICNOAXARMA-UHFFFAOYSA-N 345.442 4.548 0 50 EJAA Cc1cc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c(Cl)c1 4810444 PZCASIRKXWKZHD-UHFFFAOYSA-N 345.855 4.564 0 50 EJAA C[C@H](Nc1ccnc2cc(F)ccc12)c1cccc(-n2ccnc2)c1 301421986 DBYGDFYJOJXWGL-AWEZNQCLSA-N 332.382 4.733 0 50 EJAA Nc1sc2c(c1-c1nc(-c3ccc(Cl)cc3)no1)CCCC2 314103915 JITFNZPVTJMSEO-UHFFFAOYSA-N 331.828 4.580 0 50 EJAA COc1cc(SC)ccc1C(=O)Nc1cc(C(C)C)c(O)cc1C 340341 SIXFCBOZQPXRIJ-UHFFFAOYSA-N 345.464 4.807 0 50 EJAA COc1ccc(NC(=O)Oc2ccccc2Cc2ccccc2)cc1 399158 GNAOVLVYDDJUPE-UHFFFAOYSA-N 333.387 4.897 0 50 EJAA CCOC(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 485713 GCZCBYBQAQMIPQ-UHFFFAOYSA-N 348.354 4.691 0 50 EJAA biogenic COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2Cl)n1 1389610 BPADVVCUEZDMDK-UHFFFAOYSA-N 347.201 4.633 0 50 EJAA O=C1Nc2cc3ccccc3cc2[C@@](c2ccccc2)(C(F)(F)F)N1 5738294 DCKHLQIMHAFHKH-SFHVURJKSA-N 342.320 4.781 0 50 EJAA Cc1ccc(CN2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)cc1 14996954 TZBCFCIITZSCOC-UHFFFAOYSA-N 349.453 4.904 0 50 EJAA C[C@@H](Cc1ccsc1)n1ccnc1-c1ccc(-n2ccnc2)cc1 71776292 NLPYCWSGKWXLME-HNNXBMFYSA-N 334.448 4.601 0 50 EJAA Cc1nc([C@H]2CCCN2C(=O)Nc2nc(C3CCC3)cs2)cs1 239591430 BBJJWHCKYMKHLX-CQSZACIVSA-N 348.497 4.545 0 50 EJAA CCC1CCC(CNc2nc(C(C)(C)C(=O)OC)c(C)s2)CC1 323575725 YTKTUQIKBVUYFY-UHFFFAOYSA-N 338.517 4.530 0 50 EJAA Cc1ncsc1CN[C@H](C)c1csc(-c2ccccc2F)n1 462823008 RFJAYLACKDODRB-SNVBAGLBSA-N 333.457 4.565 0 50 EJAA COc1cc(C)c(NC(=O)NCc2ccc3occc3c2)c(C)c1C 667092166 DQYUDYOKDRYOQT-UHFFFAOYSA-N 338.407 4.688 0 50 EJAA C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 814130414 TXYYRRGRXGQBAR-DWPFLWSCSA-N 337.438 4.929 0 50 EJAA Cc1cc(NC(=O)[C@]23CCCC[C@H]2CC(F)(F)C3)cnc1C(F)F 1875328874 PNRCVOUKUSHHTH-ZBEGNZNMSA-N 344.352 4.872 0 50 EJAA C[C@@H]1C[C@H](c2ccccc2)N(c2nccc(N(C)c3ccccc3)n2)C1 1875331940 GGIXPRMCZXPSSZ-YLJYHZDGSA-N 344.462 4.832 0 50 EJAA Ic1ccc(-c2nc3ccccc3s2)cc1 365517 CCIXKKKCHOKBCR-UHFFFAOYSA-N 337.185 4.568 0 50 EJAA CCOc1cc(C=O)cc(Br)c1OCc1ccc(C)cc1 452942 GHHOGBRPBUSEMU-UHFFFAOYSA-N 349.224 4.548 0 50 EJAA Cc1ccc(Cc2cnc(NC(=O)c3ccccc3)s2)cc1Cl 465860 FBNMRISFTNUMNR-UHFFFAOYSA-N 342.851 4.948 0 50 EJAA CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)CC1CCCCC1 16648174 VVSDLEWKFOLGQG-UHFFFAOYSA-N 347.484 4.506 0 50 EJAA O=C(NCc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1Cl 36620390 MCWDEXFTMSCOHP-KRWDZBQOSA-N 332.806 4.526 0 50 EJAA CCc1cc2c(NCc3ccccn3)nc(-c3ccccc3)nc2s1 41090361 RKDKCZVQKXIZMG-UHFFFAOYSA-N 346.459 4.928 0 50 EJAA Clc1ccccc1N1CCN(Cc2ccc3ccccc3c2)CC1 55543002 FHBORUHRRDEULO-UHFFFAOYSA-N 336.866 4.815 0 50 EJAA O=C(Nc1ncccc1-c1ccccc1)c1cccc2ncccc12 181418452 OEBKDQGJHJOJDB-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA Cc1ccccc1-c1ccccc1C(=O)N(C)[C@H](C)c1ccncc1 215840998 IMPMLQJBBRORNE-QGZVFWFLSA-N 330.431 4.890 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C 1776002953 OFHQPPPNOROPPO-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA C[C@H](NCc1cccc(OC(C)(C)C)n1)c1cnc2ccccc2c1 2325789940 XUFULMDGTXXFFJ-HNNXBMFYSA-N 335.451 4.658 0 50 EJAA COC(=O)Cn1ccc2c(N[C@H](C)[C@@H]3CCC(C)=C(C)C3)cccc21 2325824640 KUPRCAOZOPTKOZ-IAGOWNOFSA-N 340.467 4.751 0 50 EJAA COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1OC 97531 NQRLMOOOVVZDBY-UHFFFAOYSA-N 347.823 4.824 0 50 EJAA O=C(Nc1ccc(Br)cc1)c1csc2c1CCCC2 194900 NYHRFNQSKOVQHY-UHFFFAOYSA-N 336.254 4.642 0 50 EJAA COc1ccc(C)cc1NC(=O)Oc1ccc(Cl)c2cccnc12 396570 ZBJCMJXEXJRFRP-UHFFFAOYSA-N 342.782 4.816 0 50 EJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1 477195 CXJDKJLOEDZMRH-HNNXBMFYSA-N 347.462 4.770 0 50 EJAA Cc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1 2737649 HOAVZDPUZXYRBM-UHFFFAOYSA-N 330.431 4.836 0 50 EJAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc2cc[nH]c12 153093451 RJNSBYJVNBLNQE-CYBMUJFWSA-N 341.480 4.889 0 50 EJAA O=C(Nc1ccc2scnc2c1)N1CCC[C@@H]1c1cccs1 171374217 FQINQQSBOAQJGL-CYBMUJFWSA-N 329.450 4.727 0 50 EJAA CCCn1ncc(NC(=O)[C@@H](C)Cc2ccccc2Cl)c1C1CC1 452469376 VRPPAGKZOHIFEY-ZDUSSCGKSA-N 345.874 4.641 0 50 EJAA CCCSCc1nnc2sc(-c3ccc4ccccc4c3)nn12 1775972169 KKVFTJFRCNUGFZ-UHFFFAOYSA-N 340.477 4.649 0 50 EJAA COC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 67524 MYDQKDVLQAKOGU-UHFFFAOYSA-N 345.807 4.594 0 50 EJAA COc1ccccc1C(=O)N1c2ccccc2CCc2ccccc21 169628 VEGAUVGGWIDIBY-UHFFFAOYSA-N 329.399 4.772 0 50 EJAA biogenic COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1 189499 YDUZZETWBAQFAY-UHFFFAOYSA-N 344.414 4.769 0 50 EJAA biogenic,in-vitro COc1cccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)c1 315729 FEFPBDOSNCGBFO-FQEVSTJZSA-N 347.414 4.562 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 1019661 QSJCHRHNYCXXSM-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA Cc1cc(OCCOC(=O)Nc2c(C)cccc2C)ccc1Cl 2141406 GEPPJYWCSGBRQS-UHFFFAOYSA-N 333.815 4.893 0 50 EJAA C[C@@H]1CCc2nc(NC(=O)Nc3ccc(Cl)cc3F)sc2C1 20572237 AZNOAPGQUXPQLM-MRVPVSSYSA-N 339.823 4.704 0 50 EJAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cccnc2)[C@H]3CCC1 22078025 MEWAUIYPXIVJJJ-NRFANRHFSA-N 331.463 4.628 0 50 EJAA CN(Cc1cccc(-c2ccco2)c1)Cc1cc(-c2cccnc2)no1 77518160 UOQKUILDFCMDCR-UHFFFAOYSA-N 345.402 4.629 0 50 EJAA Cc1ccc(SC2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc1 252497581 QKKNRAALUDIVFF-KRWDZBQOSA-N 339.504 4.882 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498095 ILCTUFVQFCIIDS-KRNGMNHFSA-N 332.484 4.530 0 50 EJAA O=C(c1ccc2cnccc2c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 451684752 VZZKUOIQWYWRMP-YPAWHYETSA-N 342.442 4.643 0 50 EJAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1ccc([C@@H]2CCCCO2)o1 1506428589 XVLXJCYZHRZSRF-IBGZPJMESA-N 342.414 4.774 0 50 EJAA O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 176202 LTIMPVBTBOHAJX-XCVCLJGOSA-N 342.370 4.740 0 50 EJAA COc1ccc(CNc2cc(C)c3ccc(Cl)cc3n2)cc1OC 23633967 AKHYXQJVWVOTET-UHFFFAOYSA-N 342.826 4.826 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 55292417 YSXZDJBOXFSNGJ-UHFFFAOYSA-N 349.305 4.932 0 50 EJAA CC(C)Oc1ccc(F)cc1NCc1csc([C@@H]2CCCO2)n1 134846747 LMMXHZRCANICSF-INIZCTEOSA-N 336.432 4.533 0 50 EJAA COc1ccccc1/C(C)=C/C(=O)Nc1ccc2oc(C3CC3)nc2c1 170620585 FTOUFHLZDHRAOK-ACCUITESSA-N 348.402 4.756 0 50 EJAA C[C@H](n1ccnc1-c1ccsc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216498145 JRNIULLSMXQTJX-NBODCXNTSA-N 328.481 4.504 0 50 EJAA CN(Cc1cccc2ccccc12)C(=O)c1ccc2c(c1)CC(C)(C)O2 252481915 CVHKPVFESDDBNC-UHFFFAOYSA-N 345.442 4.826 0 50 EJAA Cc1nc2ccc(C(=O)N[C@H](CC(C)C)c3cccnc3)cc2s1 670474087 GVTLGQPDDVTANS-QGZVFWFLSA-N 339.464 4.517 0 50 EJAA Cc1cccc(C(C)(C)C)c1NC(=O)N(C)CCc1scnc1C 823633562 HNZMZQQAJUBOGL-UHFFFAOYSA-N 345.512 4.764 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)cc1C 1776003782 BLQRJCJLYIQASS-UHFFFAOYSA-N 332.465 4.811 0 50 EJAA O=C(Cc1cccc(Cl)c1)Nc1cncc2c(Cl)cccc12 1875335345 DIAXTAAPEYCERF-UHFFFAOYSA-N 331.202 4.723 0 50 EJAA C[C@@H](NCc1ccc(-c2cnco2)cc1)c1ccc(C(C)(C)C)nc1 2325794834 STURMZHCVNZMJN-OAHLLOKOSA-N 335.451 4.885 0 50 EJAA O=C(Cc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 302672 VTLSGAPLMACWQV-UHFFFAOYSA-N 332.589 4.967 0 50 EJAA CC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2s1 408910 KMYDGSUYCASHDT-UHFFFAOYSA-N 347.237 4.684 0 50 EJAA C[C@@H](Oc1ccccc1)C(=O)Nc1nc(C2CCCCC2)cs1 614082 ZUNWNKHROJWSGJ-CYBMUJFWSA-N 330.453 4.597 0 50 EJAA CCOC(=O)N[C@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O 1394524 CVEKVYYXCUMZNZ-DOTOQJQBSA-N 337.847 4.667 0 50 EJAA CCCCCCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 1863556 OPBDCRQMVMRHRF-UHFFFAOYSA-N 340.419 4.685 0 50 EJAA CSc1ccccc1C(=O)NCCOc1cc(C)ccc1C(C)C 2191533 SXOMTTAROYRJNA-UHFFFAOYSA-N 343.492 4.649 0 50 EJAA CCCOc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 4824552 YQHZLRHIRKDUMJ-UHFFFAOYSA-N 346.839 4.991 0 50 EJAA COc1ccc(CC[C@H](C)NCc2ccccc2Br)cc1 23280222 HORALTXJBPFJMB-AWEZNQCLSA-N 348.284 4.569 0 50 EJAA C[C@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@H]1c1ccccc1 186067318 ZTBCMXQXLOXLJI-ORAYPTAESA-N 347.418 4.930 0 50 EJAA CCc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 239432945 WYKHZCQTFQGUQH-WYZBVHOTSA-N 347.458 5.244 0 50 EJAA Oc1nc(-c2cscn2)nc2scc(-c3ccccc3Cl)c12 432499436 GJSYUHCVHWTBTM-UHFFFAOYSA-N 345.836 4.841 0 50 EJAA O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccc1 179536 CPRVTZYGYPQCGM-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA COc1ccccc1CC(=O)Nc1ccc(Oc2ccccc2)cc1 311494 OPHSXEJDGMWZTJ-UHFFFAOYSA-N 333.387 4.669 0 50 EJAA COc1ccc(NC(=O)Oc2cccc3cccnc23)c(Cl)c1 398469 IMKSMDRQAHLXNZ-UHFFFAOYSA-N 328.755 4.508 0 50 EJAA O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)C1CCCCC1 1978183 MTEUMCPNAZABBU-UHFFFAOYSA-N 338.359 4.539 0 50 EJAA CCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1 2565334 JJYZUJHGWKCHBQ-UHFFFAOYSA-N 328.408 4.874 0 50 EJAA O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2cccs2)on1 3908471 RTTZJONVDYXPCZ-UHFFFAOYSA-N 339.203 4.962 0 50 EJAA COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(Cl)c2C)c1 5061169 MZSAOFSDKBULGX-LBPRGKRZSA-N 348.830 4.548 0 50 EJAA Cc1ccc(-c2cnn3c(NCCc4ccccc4)cc(C)nc23)cc1 5304651 XNCGMPPWEBDQEN-UHFFFAOYSA-N 342.446 4.668 0 50 EJAA Cc1cc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)n2n1 5793385 RSGXBOJCRSUMRP-UHFFFAOYSA-N 335.373 4.524 0 50 EJAA Cc1cc(N2CCCCC2)n2nc(C)c(-c3ccccc3Cl)c2n1 7636186 SEFURNGUYOQDQR-UHFFFAOYSA-N 340.858 4.657 0 50 EJAA CC(C)(NC(=O)OCc1ccccc1)c1ccc(Br)cc1 85482238 IOHGBDDCFVCMRL-UHFFFAOYSA-N 348.240 4.611 0 50 EJAA in-vitro CCCCCN1B(C)N(CCCCC)B(C)N(CCCCC)B1C 328578077 WZANKEYXVVDXKU-UHFFFAOYSA-N 332.991 4.831 0 50 EJAA O=C([C@H]1CCCC12CC2)N1CCC(c2cccc3cnccc23)CC1 1875268649 YBNAJUCEINUHOU-HXUWFJFHSA-N 334.463 4.521 0 50 EJAA O=C(CCSc1ccccc1)Nc1ccccc1C(F)(F)F 36568 SPDJNQMRVRALMM-UHFFFAOYSA-N 325.355 4.826 0 50 EJAA Cc1oc2cc(OC(C)C)ccc2c(=O)c1Oc1ccccc1F 315665 CSJLGTGEOVTWIP-UHFFFAOYSA-N 328.339 4.820 0 50 EJAA O=c1oc2ccccc2cc1-c1csc(NC2CCCCC2)n1 424290 WZAVPKJVBGOUHS-UHFFFAOYSA-N 326.421 4.661 0 50 EJAA CC(=O)Oc1c(-c2ccc(Cl)cc2Cl)oc2ccccc2c1=O 1978811 ILXFREXMDRSPAI-UHFFFAOYSA-N 349.169 4.692 0 50 EJAA Cc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)O)cc1 2078260 UCVHFHRLQCYMLJ-UHFFFAOYSA-N 338.432 4.798 0 50 EJAA CCc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cs1 2736163 NARIRZZOSIIDLN-UHFFFAOYSA-N 344.661 4.979 0 50 EJAA CCc1cccc(CC)c1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2745294 UTECPPJYCAUWAO-UHFFFAOYSA-N 343.295 4.759 0 50 EJAA COc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)no2)cc1OC 5065495 ULVNFELMGIOLJD-ONNFQVAWSA-N 342.782 4.578 0 50 EJAA Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@@H]2n1ccnc1 5117478 MPTJIDOGFUQSQH-SFHVURJKSA-N 329.230 4.926 0 50 EJAA world FC(F)(F)c1cccc(OCCCCn2cnc3ccccc32)c1 13281908 AETODLCAMHDFPT-UHFFFAOYSA-N 334.341 4.914 0 50 EJAA CN(C(=O)c1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1 13297377 LGTJLMZPSCZBJB-UHFFFAOYSA-N 349.817 4.848 0 50 EJAA Cc1cc(NC(=O)N[C@H]2c3ccccc3CCC[C@H]2C)cc2n[nH]cc12 1476295494 LWWLKKNDERJWCR-ZUOKHONESA-N 348.450 4.707 0 50 EJAA COc1ccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)cc1 51289 RRGYNDZNNDJPJI-UHFFFAOYSA-N 341.410 4.875 0 50 EJAA FC(F)(F)c1ccc2nnc(-c3ccc(Cl)cc3Cl)n2c1 80331 TUGHYYZVWQYGTJ-UHFFFAOYSA-N 332.112 4.722 0 50 EJAA Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 362632 NFAUJFNVBXRSMC-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA O=C(NCCc1ccccc1)c1ccccc1SCc1ccccc1 452994 SUYLOVKOVMKWCZ-UHFFFAOYSA-N 347.483 4.951 0 50 EJAA CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1 4612644 MLPIRNKPHUVEJQ-CMDGGOBGSA-N 332.403 4.686 0 50 EJAA aggregator O=C(Oc1ccccc1)c1cccnc1-c1nc2ccccc2s1 6702008 BYUISZJSMJEOOV-UHFFFAOYSA-N 332.384 4.578 0 50 EJAA Cc1cc2ccccc2n1CCC(=O)N(C)[C@H](C)c1cccs1 63835748 UUPRGPAJZFTASP-OAHLLOKOSA-N 326.465 4.621 0 50 EJAA COc1ccccc1[C@@H]1N=C(c2ccccc2)[C@H]2[C@H](c3ccccc3)N12 229984439 ZYNSVKVRUBHSMG-JNHLRNPSSA-N 340.426 4.622 0 50 EJAA O=C(Nc1ccc(F)cc1)NC1(Cc2ccc(Cl)cc2)CCC1 1465184314 XIKVVXLEKIKJKD-UHFFFAOYSA-N 332.806 4.766 0 50 EJAA Cc1nc(C)c(-c2cc(Cl)cc(C)c2OC2CCNCC2)s1 1875330235 UAPXWQHDSYAIAI-UHFFFAOYSA-N 336.888 4.520 0 50 EJAA COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2F)cc1 70036 LYXPSDAPBZZZRY-FQEVSTJZSA-N 348.377 4.605 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1 301650 IAINBBDPQGXHSU-UHFFFAOYSA-N 341.208 4.558 0 50 EJAA CC(C)c1ccccc1NC(=O)Cc1ccc(Br)cc1 337742 CQWZWDZQRXMFSX-UHFFFAOYSA-N 332.241 4.754 0 50 EJAA Cc1nc(-c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cs1 387115 WJVKMPHGUFXANT-CYBMUJFWSA-N 338.432 4.525 0 50 EJAA O=C(CSCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 402206 ZVFDXYMGQOFOFF-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA O=Cc1ccc(OCc2c(F)cccc2Cl)c(Br)c1 470925 CGIDEJBXXGJTMY-UHFFFAOYSA-N 343.579 4.633 0 50 EJAA O=c1oc2cc(OCc3cccc(F)c3)c(Cl)cc2c2c1CCC2 859311 IFHSGLSBQXKJDM-UHFFFAOYSA-N 344.769 4.653 0 50 EJAA O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl 859458 ZZJDMNZYNRNNBR-UHFFFAOYSA-N 340.181 4.734 0 50 EJAA COc1ccc(-c2csc(NC(=O)c3csc(C)c3C)n2)cc1 2770558 ITTNEFBQMUBYGX-UHFFFAOYSA-N 344.461 4.749 0 50 EJAA c1ccc(CN2CCCC3(CCCN(Cc4ccccc4)C3)C2)cc1 4535513 BIEPIHLKBKHTQC-UHFFFAOYSA-N 334.507 4.565 0 50 EJAA O=C(CC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3 5065155 PGLPCNUXNQWWCY-UHFFFAOYSA-N 327.512 4.534 0 50 EJAA COc1cc(C(C)(C)C)nc2c(-c3ccccc3Cl)c(C)nn12 10493538 MDRNAUOHGDSYAU-UHFFFAOYSA-N 329.831 4.664 0 50 EJAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCc1cccs1 72477352 ADPZUIXPBWEIAP-UHFFFAOYSA-N 348.518 4.524 0 50 EJAA CC(C)(C)OC(=O)n1cc(Br)c2cc(Cl)ccc21 198744224 UOIWZZMFVYUBCV-UHFFFAOYSA-N 330.609 4.840 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)oc2c1 215790000 CYAKIVHTCXVNGZ-GOSISDBHSA-N 337.423 4.535 0 50 EJAA Cc1c(Cl)cc(NC(=S)NCc2ccccc2)cc1Cl 920997608 CVKLVHKSRGNACB-UHFFFAOYSA-N 325.264 4.788 0 50 EJAA Cc1c(COC(C)(C)C)cccc1NC(=O)c1nccc2cccnc12 934046123 OFCNHZRSVJKOAJ-UHFFFAOYSA-N 349.434 4.506 0 50 EJAA CC(C)CC1(CN(C)Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1 2325773345 MLBXNQMARKOUJX-UHFFFAOYSA-N 343.389 4.662 0 50 EJAA O=C(Nc1nnc(C2CC2)s1)c1sc2ccccc2c1Cl 147183 GIYPHFAOEBLBMT-UHFFFAOYSA-N 335.841 4.536 0 50 EJAA Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1C 214571 MKNHGNCJCHWOAR-UHFFFAOYSA-N 339.366 4.867 0 50 EJAA COc1ccc(C)cc1NC(=O)NCc1ccc(Cl)c(Cl)c1 609334 WAOOMDIDYUGJEY-UHFFFAOYSA-N 339.222 4.632 0 50 EJAA O[C@@H](OCc1cccc(Oc2ccccc2)c1)C(Cl)(Cl)Cl 4753541 OZRHPSZQSYAAAL-AWEZNQCLSA-N 347.625 4.684 0 50 EJAA COc1cc(CN2CCCC2)ccc1Oc1ccnc2ccccc12 67755731 APAHEPGKATVTJM-UHFFFAOYSA-N 334.419 4.632 0 50 EJAA COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)c(OC)c1 97756953 AYDYPBAYNJDYFA-UHFFFAOYSA-N 348.398 4.728 0 50 EJAA Clc1c(-c2nc(-c3cscn3)no2)sc2sccc12 1875264026 LDBMHBLDDACAEH-UHFFFAOYSA-N 325.827 4.790 0 50 EJAA C[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccc(C(=O)O)cc1 1875342819 IRLSXNMVNGDHNE-OAHLLOKOSA-N 345.398 4.543 0 50 EJAA CCc1ccc([C@@H](CN[C@H]2CCc3ccsc32)N(CC)CC)cc1 1875387979 IJNSKAXLNQVYOB-VQTJNVASSA-N 342.552 4.971 0 50 EJAA COc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1 92300 REHHWBWTFZUYTA-UHFFFAOYSA-N 344.414 4.672 0 50 EJAA Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccccc3)s2)c1 134159 KALUHRRZSXQSBV-ZHACJKMWSA-N 334.444 4.694 0 50 EJAA FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccs2)n1 213182 MAGRYKCIBXUZJH-UHFFFAOYSA-N 335.354 4.836 0 50 EJAA COc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)c3)n2)cc1 558426 CTRPXPSCFJZETF-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 10287574 MUKSPBFZTCUZQO-UHFFFAOYSA-N 344.842 4.650 0 50 EJAA Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2Cl)c1 13519565 VZRYKCRWZWKBKS-UHFFFAOYSA-N 326.252 4.814 0 50 EJAA C[C@@H](C1CCN(c2ccc3cc(Cl)ccc3n2)CC1)N1CCCC1 95382813 GYQOXWIFNSTIPR-HNNXBMFYSA-N 343.902 4.589 0 50 EJAA CC(C)N(CCN1CCCCC1)C(c1ccccc1)c1ccccc1 96026343 RTXTYCCRQLZQNH-UHFFFAOYSA-N 336.523 4.972 0 50 EJAA COc1nc2ccccc2cc1-c1cccc(C(=O)N[C@H](C)C(C)C)c1 534661846 OEQMGOPFDPMANU-OAHLLOKOSA-N 348.446 4.685 0 50 EJAA CCc1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 145577 NFIPMVZVFGSQKU-UHFFFAOYSA-N 345.442 4.534 0 50 EJAA Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 241320 KEZPMZSDLBJCHH-UHFFFAOYSA-N 338.432 4.539 0 50 EJAA Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc(C)o3)s2)cc1 442833 LENCWNLQUHDXCE-MDZDMXLPSA-N 338.432 4.596 0 50 EJAA Cc1c(C)c2ccc(OCc3ccc(F)cc3F)c(C)c2oc1=O 472359 UXSSMRQLPXREOG-UHFFFAOYSA-N 330.330 4.575 0 50 EJAA O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 613446 HCONHCWRFGZFEL-FQEVSTJZSA-N 348.833 4.820 0 50 EJAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1 858851 MGNOVYMOTCJSOQ-UHFFFAOYSA-N 332.806 4.722 0 50 EJAA Cc1c(Cl)cccc1NCc1n[nH]c(=S)n1-c1ccccc1 2544695 NTAMWTGWQVIDPR-UHFFFAOYSA-N 330.844 4.504 0 50 EJAA CC(C)Oc1ccc(OCCOc2ccc(OC(C)C)cc2)cc1 2839750 VEDVSYWTVLWNDL-UHFFFAOYSA-N 330.424 4.719 0 50 EJAA S=c1nc(-c2ccccc2)n(Cc2cccnc2)c2c1CCCC2 4718348 GVYXMJXAJRKIBK-UHFFFAOYSA-N 333.460 4.602 0 50 EJAA COc1cccc(-n2c([C@H]3C[C@H]3c3ccc(C)cc3)n[nH]c2=S)c1 6533830 RZLCWCPSHYSWNR-IRXDYDNUSA-N 337.448 4.518 0 50 EJAA Cc1noc2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 20605555 IMIJRZYQECYJMR-UHFFFAOYSA-N 339.139 4.898 0 50 EJAA CC(C)c1csc(CN(Cc2cccnc2)Cc2ccsc2)n1 55153558 QMNJFGIYMUVZEW-UHFFFAOYSA-N 343.521 4.925 0 50 EJAA CCc1nn2c(-c3cccc(OC)c3)ccnc2c1-c1ccccc1 72117470 JDWUNFITYBVQSQ-UHFFFAOYSA-N 329.403 4.634 0 50 EJAA Cc1ccc(-c2cc(CN3CCCC[C@@H]3c3ccccn3)on2)cc1 72171422 LEMVLTFKPZSYJH-OAQYLSRUSA-N 333.435 4.772 0 50 EJAA CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cccnc1 117762576 VBNLMVJJHTVAPI-OAHLLOKOSA-N 326.440 4.734 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(OC(F)F)cc1 952974515 ODSVHQAZVNTBBI-QGZVFWFLSA-N 348.393 4.687 0 50 EJAA O=C(Nc1ccccc1SC1CCCC1)c1ccc2ccnn2c1 1875336790 HNDJQTQSDWFVMI-UHFFFAOYSA-N 337.448 4.621 0 50 EJAA O=C(O)c1cc(-c2ccccc2OC[C@@H]2CCOC2)cc2ccccc12 2325822634 FRVXWLXGOUIQJI-OAHLLOKOSA-N 348.398 4.620 0 50 EJAA CC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(O)cc12 90236 DALSLDAWIMJAOQ-UHFFFAOYSA-N 344.208 4.610 0 50 EJAA CSc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 360438 XIIWHNLHMGTRCO-UHFFFAOYSA-N 348.899 4.511 0 50 EJAA Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(C)c1 466970 HRPPWBNOACGILD-UHFFFAOYSA-N 325.452 4.510 0 50 EJAA Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10333972 VBGPETYLMHLGKJ-UHFFFAOYSA-N 342.870 4.887 0 50 EJAA Cc1cc(Cl)ccc1NC(=S)NCc1ccc(Cl)cc1 13482747 DXFMWFNJBYEBSQ-UHFFFAOYSA-N 325.264 4.788 0 50 EJAA O=C(Nc1nc2ccccc2s1)Nc1ccccc1Br 13745981 BIKHSBVNOMYACB-UHFFFAOYSA-N 348.225 4.703 0 50 EJAA Cc1nn(-c2ccccc2)c(Cl)c1-c1c(-c2ccccc2)ncn1C 65417549 YFIBJRULSFRWBY-UHFFFAOYSA-N 348.837 4.902 0 50 EJAA COc1cccc(-c2cccc(C(=O)N(C)[C@H](C)c3cccnc3)c2)c1 215009136 NVPFNIWYSBPKRS-MRXNPFEDSA-N 346.430 4.590 0 50 EJAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 60066 IVSONCCKUMTPBT-UHFFFAOYSA-N 330.211 4.863 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 121348 FPACDVKTYXWYGL-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA Cc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)o1 476871 WVGSMGAQVPAQPH-UHFFFAOYSA-N 334.419 4.866 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 2930630 YBJBFALWSQJKMV-UHFFFAOYSA-N 338.451 4.718 0 50 EJAA CCOc1ccccc1OCCOc1cc(Cl)ccc1Cl 2986839 JMYHKSQFASJMDX-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 2995188 SZSCBSQUDBGWGS-UHFFFAOYSA-N 345.826 4.858 0 50 EJAA Cc1c(Cl)cccc1NC(=O)COc1c(Cl)cccc1Cl 4542117 RGZGSDWWUKDMNU-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA CCCCOc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 4820687 FVHNJNYGINNMIT-LEWJYISDSA-N 343.467 4.590 0 50 EJAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2ccco2)C1 11839954 OZWZHDBOTWKQBD-GOSISDBHSA-N 345.442 4.626 0 50 EJAA COc1ccc(C(=O)c2c(C)oc3c2cc(O)c2ccccc23)cc1 19809222 ZENJMNKWZQEHOS-UHFFFAOYSA-N 332.355 4.840 0 50 EJAA Clc1cccc(Cl)c1-c1nc2c(Br)nccc2[nH]1 91301681 MTTMYYSIMBNURF-UHFFFAOYSA-N 343.011 4.694 0 50 EJAA C[C@H](N[C@@H](C)[C@@H](O)C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875339232 XPASQPYHKCSWOB-PNLZDCPESA-N 338.495 4.729 0 50 EJAA O=C(CNc1ccccc1)N1c2ccccc2Sc2ccccc21 107125 HPIRUCBNZRNSBZ-UHFFFAOYSA-N 332.428 4.928 0 50 EJAA Cc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 274536 WBINWXCCDZITAL-UHFFFAOYSA-N 329.465 4.844 0 50 EJAA CCOc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 454277 BXUGELRGSQCLAW-OBGWFSINSA-N 333.387 4.858 0 50 EJAA Cc1[nH]c2ccccc2c1C(=O)CSc1ccc2ccccc2n1 1063076 YXFFGGXASQALOZ-UHFFFAOYSA-N 332.428 5.000 0 50 EJAA COc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 4123286 NKJWOURFUGCZPL-UHFFFAOYSA-N 346.390 4.587 0 50 EJAA O=C(c1cccs1)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 12149284 PTNAFCCDEFRHCQ-GOSISDBHSA-N 335.428 4.524 0 50 EJAA Cc1c(-c2ccccc2)nc2c(c(C)c(C)n2Cc2cccnc2)c1N 12324466 KHBQYFPGLSFIGT-UHFFFAOYSA-N 342.446 4.654 0 50 EJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)C2=CCCCC2)C1 15063993 LXPAHPOUJWPWID-IBGZPJMESA-N 349.478 4.502 0 50 EJAA COc1ccc(/C(=C\C(=O)O)c2cc3cc(Cl)ccc3o2)cc1 40566686 ZWSLTVKCHIZWRU-XNTDXEJSSA-N 328.751 4.611 0 50 EJAA Cc1nc([C@H](C)n2cnc(-c3ccccc3)c2-c2ccncc2)cs1 65383337 AQZLFIIQYFNRFD-AWEZNQCLSA-N 346.459 4.986 0 50 EJAA O=[N+]1C(c2ccc(Oc3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@H]21 261190516 YYQMQAMHCREBFZ-RTBURBONSA-N 337.399 4.572 0 50 EJAA O=C(O)c1ccccc1-c1ccccc1C(=O)NCCC1=CCCCC1 263450806 SFIOOJFXHXMMNU-UHFFFAOYSA-N 349.430 4.672 0 50 EJAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1ccccn1 263588567 VUKQJNVRWXYZSU-FQEVSTJZSA-N 341.414 4.655 0 50 EJAA Cc1cc(C)c2oc(C(=O)Nc3ccccc3-n3cccn3)c(C)c2c1 334162145 KSIVVTKMWYKOBJ-UHFFFAOYSA-N 345.402 4.796 0 50 EJAA C[C@@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)[C@H](C)[C@H]1C 1310642290 HBWZTCUBXKXUEA-GRYCIOLGSA-N 333.819 4.503 0 50 EJAA COc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1C 76442 IZFKJWAFMXDBFR-UHFFFAOYSA-N 337.444 4.835 0 50 EJAA Cc1ccc(C)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 292437 XHFWSTHPRAMYAO-UHFFFAOYSA-N 348.412 4.644 0 50 EJAA CC1(C)COC(c2ccccc2[C@@H](O)c2cc3ccccc3s2)=N1 335732 GPOAZUOQXKRAIZ-GOSISDBHSA-N 337.444 4.538 0 50 EJAA Cc1ccc2nc(C)c3c(c2c1)O[C@H]([C@@](C)(Cl)Br)C3 436072 XAIFIFDYGKGPIJ-DZGCQCFKSA-N 340.648 4.505 0 50 EJAA COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 450797 PJBGBQGVNMLQKV-UHFFFAOYSA-N 331.415 4.640 0 50 EJAA CCOc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 609253 IDXQKTSWYKROFF-UHFFFAOYSA-N 340.370 4.913 0 50 EJAA CC1C[C@@H](C)N(C(=O)c2cc(-c3ccccc3Cl)on2)[C@H](C)C1 815180 QXIMEZAZZVAQHP-CHWSQXEVSA-N 332.831 4.644 0 50 EJAA COc1ccc(NC(=O)Nc2cc(Cl)ccc2C)c(Cl)c1 4771187 XGCGVEPSVHXUBF-UHFFFAOYSA-N 325.195 4.954 0 50 EJAA O=C(Nc1ccc(Cl)cc1)[C@]1(c2ccccc2)CC1(Cl)Cl 22205354 FBMUVXLVZVSVDQ-OAHLLOKOSA-N 340.637 4.794 0 50 EJAA c1c(C2CCCCC2)noc1CN(CC1CCC1)C[C@H]1CCCO1 1506429095 VIVBKRVATWYBSU-GOSISDBHSA-N 332.488 4.503 0 50 EJAA C[C@@H]1c2ccccc2CN1C(=O)NC1(c2ccc(Cl)cc2)CC1 1776002349 MZDYYKNBHBXNEL-CYBMUJFWSA-N 326.827 4.616 0 50 EJAA C[C@@H](NC(=O)c1sccc1C1CC1)[C@@H]1CCCc2ccccc21 1875263251 KTTYUBOJQBOILL-CJNGLKHVSA-N 325.477 4.864 0 50 EJAA CC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12 34482 OQBSIPJVURNDFA-UHFFFAOYSA-N 327.811 4.754 0 50 EJAA COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408608 RSNWBTUZDKDEMV-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(Br)c1 444316 GBAFQBZAOWKKME-LLVKDONJSA-N 336.254 4.568 0 50 EJAA CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 609746 MAPINOBTBTTWCB-UHFFFAOYSA-N 348.276 4.516 0 50 EJAA Cc1cc2ncn(CCOc3cccc(C(F)(F)F)c3)c2cc1C 1066798 AUJYTKZBVBJIMY-UHFFFAOYSA-N 334.341 4.751 0 50 EJAA CCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2393388 PSTKAXJKWUKLRP-UHFFFAOYSA-N 328.481 4.931 0 50 EJAA COc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1 2848146 OGYBJEMGRHWGDJ-UHFFFAOYSA-N 333.435 4.542 0 50 EJAA CCOc1cc(C=O)ccc1OCCCOc1ccc(Cl)c(C)c1 2876860 CGYCXQARXCHNTE-UHFFFAOYSA-N 348.826 4.708 0 50 EJAA Cc1ccc(C)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 4981022 SNFYUAMRUKFOIG-UHFFFAOYSA-N 348.412 4.644 0 50 EJAA Cc1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1Cl 13325228 DGWVIKPRZOCFSE-UHFFFAOYSA-N 343.858 4.888 0 50 EJAA COc1ccc(Oc2cccc(CN3CCCC3)c2Cl)cc1OC 67787832 BKJBRTMCBMTPBB-UHFFFAOYSA-N 347.842 4.745 0 50 EJAA C[C@H](c1cccc(-c2nccc(CCC(F)(F)F)n2)c1)N1CCCC1 71404261 PYQGUHBXFLFONB-CQSZACIVSA-N 349.400 4.795 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N1CCCCC[C@H]1c1ccco1 91830267 GYEZYLSTXCAGRF-AWEZNQCLSA-N 332.469 4.925 0 50 EJAA CCCCN(Cc1ccccn1)C(=O)c1cccc2c(C)c(C)[nH]c12 96167146 XKZHCTGYKKPJBR-UHFFFAOYSA-N 335.451 4.622 0 50 EJAA Cc1ncsc1CCC(=O)N[C@@H](c1cccs1)C1CCCCC1 215509492 KSAOZBKTXNQCDH-GOSISDBHSA-N 348.537 4.883 0 50 EJAA CCCC[C@H]1CCCN1C(=O)c1cccc(-c2ccc(F)cc2O)c1 299762408 VWRCSYKUZSJRRR-SFHVURJKSA-N 341.426 4.993 0 50 EJAA O=C(N[C@@H]1CCC[C@H](C(=O)O)CC1)c1csc(C2CCCCC2)c1 1875324142 JEAIWAJFNOGRQP-GOEBONIOSA-N 349.496 4.559 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 121399 DNLBSVAWSXNPOB-UHFFFAOYSA-N 335.378 4.819 0 50 EJAA CCCCOc1ccc(NC(=O)c2cccc(Br)c2)cc1 1771590 CFWWEAYCPQGPRT-UHFFFAOYSA-N 348.240 4.880 0 50 EJAA CCSc1ccccc1C(=O)Nc1nnc(C(CC)CC)s1 2852532 DLOMAJJOWKTLDZ-UHFFFAOYSA-N 335.498 4.806 0 50 EJAA C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1 4834388 NNTIHXDYGVQYTC-JTQLQIEISA-N 338.632 4.594 0 50 EJAA COc1ccccc1N1CCN(CCC2=C(C)CCCC2(C)C)CC1 12384910 KQZBRLQJRZDRAW-UHFFFAOYSA-N 342.527 4.734 0 50 EJAA O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 15659827 WVGKCDCZXFAJHV-QXMHVHEDSA-N 341.370 4.542 0 50 EJAA COc1cccc(CNC(=O)N2CCCCC[C@H]2c2cccs2)c1 15867130 SGNIWQJAHYJMHY-KRWDZBQOSA-N 344.480 4.584 0 50 EJAA Cc1cccc(N2CCN(C/C(Cl)=C/c3ccccc3)CC2)c1C 19634367 JEUYUTGJWSRGLP-HKWRFOASSA-N 340.898 4.705 0 50 EJAA CCCSc1ccccc1NC(=O)NCc1cc(C(C)C)on1 96130719 WWQNQPUEDRMUFI-UHFFFAOYSA-N 333.457 4.622 0 50 EJAA O=C(NCc1cccc(-c2ccccn2)c1)c1cccc(C(F)F)c1 178942776 MXXKMSPYSBLPTJ-UHFFFAOYSA-N 338.357 4.616 0 50 EJAA Cc1ccc(CN(C)C(=O)Nc2cc(-c3cccnc3)ccc2C)o1 374721042 ZNWGMUONLLDZGX-UHFFFAOYSA-N 335.407 4.622 0 50 EJAA C[C@H]1N(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)CCC1(C)C 426478010 NNGDSXULCYOZBV-GFCCVEGCSA-N 345.389 4.598 0 50 EJAA Cc1noc(C)c1[C@@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 926061042 MEOJTDMNRMNMEO-CYBMUJFWSA-N 336.439 4.664 0 50 EJAA Cc1nc2ccc(-c3cc(F)ccc3OCc3ccncc3)cc2[nH]1 2325776930 NXNAOEZKOUARIZ-UHFFFAOYSA-N 333.366 4.651 0 50 EJAA COc1ccc(OC)c(NC(=O)/C=C/c2cccc3ccccc23)c1 46466 QOUZVNDZAQNPFY-JLHYYAGUSA-N 333.387 4.509 0 50 EJAA Cc1ccc2nc(C)c3c(c2c1)O[C@@H]([C@@](C)(Cl)Br)C3 436073 XAIFIFDYGKGPIJ-UKRRQHHQSA-N 340.648 4.505 0 50 EJAA O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cccc(Cl)c2)o1 443771 ZWMCUQCHIBTBPP-UHFFFAOYSA-N 333.174 4.901 0 50 EJAA C[C@@H](Nc1ncnc2ccc(Br)cc12)c1ccccc1 4056142 CHSGMSKKQNWQKP-LLVKDONJSA-N 328.213 4.565 0 50 EJAA O=C(Nc1ccc(Cl)cn1)c1sc2cc(F)ccc2c1Cl 13746885 BYVFYGWZFDGBTQ-UHFFFAOYSA-N 341.194 4.995 0 50 EJAA CCCc1cc2c(cc1OC)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2 71770677 YWUKWMSDEZJCQR-HJNYFJLDSA-N 344.495 4.831 0 50 EJAA CCc1ccccc1NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 823536707 JJTVNKCMLAKIFP-UHFFFAOYSA-N 325.387 4.533 0 50 EJAA COc1ccc(C[C@H](C)CC(=O)Nc2cccc(Cl)c2C)cc1 301911 FPZFXWIJEOOLTP-ZDUSSCGKSA-N 331.843 4.864 0 50 EJAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 358637 FSRIEKMURQGFJR-UHFFFAOYSA-N 346.883 4.764 0 50 EJAA O=Cc1cn(-c2ccccc2)nc1-c1cc(F)c(Cl)cc1Cl 732185 WQXXGWPSDPMUKP-UHFFFAOYSA-N 335.165 4.798 0 50 EJAA COc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 2742204 GLFBNTASGYQFBG-UHFFFAOYSA-N 331.415 4.856 0 50 EJAA COc1cc(C=O)ccc1OCCCCOc1c(C)cc(C)cc1C 2983918 TWQIVCUCRZXJJB-UHFFFAOYSA-N 342.435 4.671 0 50 EJAA Cc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2n1 12915323 RVFTZAMMYYMKRC-UHFFFAOYSA-N 329.197 4.755 0 50 EJAA Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c1 35511456 QGCHFHZMCSBKCS-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA COc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1C(=O)O 65355230 HRSVGPNLAGDBJM-UHFFFAOYSA-N 334.371 4.639 0 50 EJAA in-vitro Cc1ccc2[nH]c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)c(C)c2c1 91445104 JBALIIYJBKFJPB-LBPRGKRZSA-N 341.480 4.691 0 50 EJAA O=C(COc1cccc(F)c1)Nc1ccc(Oc2ccccc2)cc1 243629049 OYTHCYJLKIYWOW-UHFFFAOYSA-N 337.350 4.636 0 50 EJAA Cc1ccccc1C(=O)Nc1nc2c(C(F)(F)F)cccc2s1 489332386 QBKXRMOLZQXHNL-UHFFFAOYSA-N 336.338 4.876 0 50 EJAA CC(C)CC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 849188228 WGHDXPQMIYTUFC-OAHLLOKOSA-N 341.238 4.521 0 50 EJAA CCCCC[C@@H](NC(=O)c1noc2c1CC(C)(C)CC2)C(C)(C)C 1456338240 KKZSWPXAAQCTBG-MRXNPFEDSA-N 334.504 4.914 0 50 EJAA C=CC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 1875384745 WDEXHWVFNBMASS-INIZCTEOSA-N 339.744 4.750 0 50 EJAA CC(C)C1CCC([C@](C)(O)CNCc2cccc3c2CCCC3)CC1 2325841758 FNWPGHZRJQFBNH-PSGUAHCZSA-N 343.555 4.868 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@@H](CC(C)C)c1ccc(F)cc1 2325842009 LVCFLXFTZMSQGB-AVRDEDQJSA-N 343.486 4.662 0 50 EJAA O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 297496 BCJMDIDQGYWIAO-NRFANRHFSA-N 326.399 4.678 0 50 EJAA Cc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1 433115 QPDVMAMZHSAFDB-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA CCSc1nc2ccccc2n1C(=O)c1cccc2ccccc12 450473 RVIKOGBPNQGQAH-UHFFFAOYSA-N 332.428 4.990 0 50 EJAA Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)c1ccco1 1077333 UTVJTJHLSIDAQP-CYBMUJFWSA-N 342.445 4.703 0 50 EJAA CCN(CC)CCCCCCOc1ccccc1Br 2885644 ZENBQKTUBKNPDB-UHFFFAOYSA-N 328.294 4.730 0 50 EJAA COc1cccc(OCCCOc2c(Cl)cccc2Cl)c1 2904708 FFUXXTCQJHHTON-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccco2)cc1 2906754 VVXKOPDSSHSZJY-NRFANRHFSA-N 345.442 4.519 0 50 EJAA COC(=O)C1=C(c2ccccc2)C2c3ccccc3C1c1ccccc12 4557409 VJUSXGQZNYNOSA-UHFFFAOYSA-N 338.406 4.904 0 50 EJAA CC[C@@H](C)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 6698269 YELSBTGBKLWILH-QGZVFWFLSA-N 337.467 4.554 0 50 EJAA Cc1cn[nH]c1[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1 12242434 YGXZXCJXRORJAI-OAQYLSRUSA-N 345.490 4.730 0 50 EJAA Cc1cc(Br)ccc1NC(=O)c1coc(C2CCCC2)n1 170597742 MNZUGOKGLCKXMV-UHFFFAOYSA-N 349.228 4.655 0 50 EJAA O=C(Nc1ccsc1Cl)N[C@@H](c1ccccc1)c1nccs1 189423396 ZADXEOXPMCJGTJ-LBPRGKRZSA-N 349.868 4.769 0 50 EJAA O=C(CCc1cccc2ccccc12)N1CCC(c2cccnc2)CC1 867141501 SAYBBHYQZZOLHM-UHFFFAOYSA-N 344.458 4.574 0 50 EJAA Cc1nc(N[C@H](C)c2ccnn2C)c2cc(-c3ccccc3)sc2n1 1187379493 BCSPOUCYFPSWMS-GFCCVEGCSA-N 349.463 4.573 0 50 EJAA C[C@H](Cc1ccccc1C(F)(F)F)NCc1cc(O)cc(Cl)c1 1461377599 LJMIHDIEFJQUEQ-LLVKDONJSA-N 343.776 4.785 0 50 EJAA c1ccc(CCC[C@@H]2CCCN(c3noc(-c4ccccc4)n3)C2)cc1 2325841703 DKKPQAVKRWRNHW-LJQANCHMSA-N 347.462 4.976 0 50 EJAA CC(C)C[C@H]1C[C@@](C)(c2csc(Nc3ccccc3)n2)OC1=O 330695 ZSJMLFXSUTZHQS-UGSOOPFHSA-N 330.453 4.711 0 50 EJAA CC(=O)Nc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1 398247 SMFRRAYQJLOVMU-UHFFFAOYSA-N 338.194 4.596 0 50 EJAA O=C(/C=C/c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 476250 SHKYVHLQCUWEQX-DTQAZKPQSA-N 331.390 4.745 0 50 EJAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)NC1CCCCC1 476328 DMSKPBGCGDDWKD-UHFFFAOYSA-N 335.860 4.918 0 50 EJAA Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 2906939 FIEOVIRMGLLWCZ-CVEARBPZSA-N 334.246 4.829 0 50 EJAA O=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 3898820 SQIBVJCFMCUNGG-JOCHJYFZSA-N 326.399 4.855 0 50 EJAA COc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 4542684 BAUQUFLKLHZHLQ-UHFFFAOYSA-N 341.794 4.539 0 50 EJAA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2Cl)o1 5047832 GKYYFQIATFDWIR-SFQUDFHCSA-N 349.773 4.945 0 50 EJAA CSc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10336576 ZLKMXWOIPIWABC-UHFFFAOYSA-N 340.492 4.647 0 50 EJAA c1ccc(Cn2s/c(=N/c3ccccc3)nc2-c2ccccc2)cc1 13831050 YWKXLWSLQFXBLS-QURGRASLSA-N 343.455 4.892 0 50 EJAA Cc1occc1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 16580156 WROBXWKFOYNGER-UHFFFAOYSA-N 332.812 4.926 0 50 EJAA O=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 24716676 TTWLMWSWSQUXDB-UHFFFAOYSA-N 341.454 4.643 0 50 EJAA biogenic,in-vitro S=C1O[C@H]2CC3C(c4ccccc4)C(C[C@@H]2O1)C3c1ccccc1 39381651 BFHMZFVZCQTIBF-ASJKBXNASA-N 336.456 4.663 0 50 EJAA Cc1ccc(COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 150955 QEPUHLFKRFRVTQ-UHFFFAOYSA-N 330.383 4.583 0 50 EJAA O=C(COc1ccc(F)cc1)N1c2ccccc2CCc2ccccc21 471328 TUDLQUXPHLQZOY-UHFFFAOYSA-N 347.389 4.668 0 50 EJAA c1ccc(-c2ccc(CN3CCC(N4CCCCC4)CC3)cc2)cc1 2497398 FPUWJBYHYRFGPG-UHFFFAOYSA-N 334.507 4.804 0 50 EJAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 4122442 VKMPCPRQQLAFOU-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA O=C(Nc1ccc(Oc2ccsc2C(=O)O)cc1)c1cccs1 12958590 LUJHABKJJVFWJJ-UHFFFAOYSA-N 345.401 4.552 0 50 EJAA COc1cccc(-c2ccccc2-n2ccnc2-c2cccnc2)c1 71714902 FKVSGDZVGOBBRL-UHFFFAOYSA-N 327.387 4.610 0 50 EJAA Cc1cc(C[C@H](C)n2ccnc2-c2ccccc2-c2ccco2)n[nH]1 72431371 QPFPAOFWFHEOBJ-HNNXBMFYSA-N 332.407 4.645 0 50 EJAA CCCCNC(=O)OC[C@@]12CO[C@@H](CCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 252693609 FGCOUMUUNRBVMZ-JGLNRKDHSA-N 337.504 4.546 0 50 EJAA biogenic CC1=C(O)[C@@H]2C=CC=C[C@@H]2[C@@](O)(c2ccccc2)[C@H]1c1ccccc1 253590521 ZCHJZBGEFBTBLF-SRUXOGRHSA-N 330.427 4.862 0 50 EJAA Cc1c(NCc2cn(C)nc2C2CCCC2)cccc1-c1ncco1 894583380 ZSPAMERISKMIAA-UHFFFAOYSA-N 336.439 4.653 0 50 EJAA COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1Cl 145328 RIKGRVPZHSGAQD-UHFFFAOYSA-N 347.842 4.664 0 50 EJAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(c1ccccc1)c1ccccc1 468688 UFUHJAURAOIODI-HRAATJIYSA-N 345.398 4.580 0 50 EJAA COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)c2ccco2)cc1 509949 DDXXSYMMCKOUIG-GOSISDBHSA-N 339.366 4.588 0 50 EJAA O=C(Nc1nc2c(Cl)cccc2s1)c1cc2ccccc2o1 567023 CSWNLYBAYUOCFW-UHFFFAOYSA-N 328.780 4.948 0 50 EJAA CN(C(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 615359 WARLRMGDKHFJDY-UHFFFAOYSA-N 346.455 4.505 0 50 EJAA O=C1NC(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)S1 1059885 RFSAWOQPBOWPJM-NTEUORMPSA-N 347.848 4.815 0 50 EJAA CC(=O)Oc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 4843051 QLEISLGJUIVTKR-UHFFFAOYSA-N 347.370 4.657 0 50 EJAA CCC[C@@H]1C[C@@](C)(c2csc(Nc3cccc(C)c3)n2)OC1=O 6783507 AWWCQCQLZUISCS-ACJLOTCBSA-N 330.453 4.774 0 50 EJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccsc3)C2)c1 20540165 NLHBBDNRJWIDIS-INIZCTEOSA-N 341.455 4.657 0 50 EJAA COc1ccc(CN2CCC[C@@H](C)C2)cc1OCc1ccccc1 23282062 VFFPPSBRWWWNFP-QGZVFWFLSA-N 325.452 4.506 0 50 EJAA Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc(Br)cc1 59227579 VKWOWAPXAQJGEG-UHFFFAOYSA-N 348.631 4.537 0 50 EJAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1C[C@@H]1CCCO1 65495551 WTGJRSDEUQDHKN-XAVZPLJISA-N 334.419 4.883 0 50 EJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC(c4ccncc4)CC3)[nH]c12 91770680 BTKLUUNREDTEKL-UHFFFAOYSA-N 347.462 4.508 0 50 EJAA CCn1c2ccccc2c2cc(N(C)Cc3cccc(F)n3)ccc21 1875309978 WZITXHNNQYIYMG-UHFFFAOYSA-N 333.410 4.985 0 50 EJAA O=C(c1ccc2ccccn12)N1CCC[C@@H]1c1nc2ccccc2s1 2356170790 QYFZROMEIOZHHA-MRXNPFEDSA-N 347.443 4.526 0 50 EJAA Cc1cccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1C 182284 DWCFSVMFXDWHHA-SFHVURJKSA-N 344.458 4.884 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 247251 JBHRJBDZLPOQKO-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl 4817023 NPQDUQXAEMBRPF-UHFFFAOYSA-N 349.139 4.968 0 50 EJAA Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2sccc2C)cn1 65426950 WJHYRDPZNVINBC-UHFFFAOYSA-N 346.459 4.734 0 50 EJAA CCc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100072419 PQCBUMUOEOTEOB-GOSISDBHSA-N 336.826 4.550 0 50 EJAA Cc1cc(C)cc(-n2cc(O)c(-c3nc4ccccc4s3)c2N)c1 409415662 VYWQFVBRWPOMDX-UHFFFAOYSA-N 335.432 4.659 0 50 EJAA Cc1noc(C)c1[C@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 926061043 MEOJTDMNRMNMEO-ZDUSSCGKSA-N 336.439 4.664 0 50 EJAA CC(=O)Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1 465230 UKHWAUKNXXKRAO-UHFFFAOYSA-N 339.398 4.922 0 50 EJAA Cc1cc(Br)cc(C)c1NC(=O)c1c(F)cccc1F 2848984 BNYLNWCKEVSBPK-UHFFFAOYSA-N 340.167 4.596 0 50 EJAA Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 2853434 DFXBLMRVZPFDQM-UHFFFAOYSA-N 348.296 4.672 0 50 EJAA COc1cccc(OCCCCCCOc2cccc(OC)c2)c1 2880318 MRVUOCXQEUNISW-UHFFFAOYSA-N 330.424 4.722 0 50 EJAA c1cc(NCc2ccc3c(c2)OCO3)cc(-c2nc3ccccc3[nH]2)c1 4810578 JDDUVIPVMGQYJT-UHFFFAOYSA-N 343.386 4.571 0 50 EJAA COc1cc(SC)ccc1C(=O)Nc1nc2ccc(C)cc2s1 8974421 RSBUUJBZHPSVCP-UHFFFAOYSA-N 344.461 4.588 0 50 EJAA Cc1oc(-c2cccc(F)c2F)nc1CN(C)Cc1ccccc1 19595274 ASLXDGZDMDLQGE-UHFFFAOYSA-N 328.362 4.560 0 50 EJAA O=C1CCC[C@H]1CCSc1nn(-c2ccccc2)c(=S)s1 170651980 JYJZNZPZBSNUPT-NSHDSACASA-N 336.507 4.515 0 50 EJAA CN(C(=O)c1coc(Br)c1)C1CCC(C(C)(C)C)CC1 410066574 ZRHZHMWBOGMMRN-UHFFFAOYSA-N 342.277 4.719 0 50 EJAA CCOc1ccccc1CN(C(=O)N[C@@H](C)c1ccsc1)C1CC1 534666122 XIMPSBHBJJQILY-AWEZNQCLSA-N 344.480 4.582 0 50 EJAA Cc1ccc([C@@H]2CCCCN2C(=O)NCCc2ccccc2C)cc1 1685376598 SOMVUETWMALBQO-NRFANRHFSA-N 336.479 4.783 0 50 EJAA COc1c(C)cccc1CNc1ccc(C(C)=O)c(C(F)(F)F)c1 1875337003 NCFFOLPDINLTFG-UHFFFAOYSA-N 337.341 4.837 0 50 EJAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCO1 234523 MWUQJNWOZSVCLP-OFNKIYASSA-N 349.474 4.687 0 50 EJAA COc1cc(C)c(CNc2ccc(C)cc2Br)cc1C 292645 AFZPBJUMCLCTIK-UHFFFAOYSA-N 334.257 4.995 0 50 EJAA CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc(C)cc1)N2 457440 DANNKEGZBGUVQJ-UHFFFAOYSA-N 331.529 4.517 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c(Cl)c1 464876 VADHELPATNLDAM-UHFFFAOYSA-N 328.843 4.891 0 50 EJAA CCOc1ccc(N2C(=O)S/C(=C\c3ccc(C)cc3)C2=O)cc1 1207988 HQWFCZGMVJWNII-ATVHPVEESA-N 339.416 4.635 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cccc(F)c2)s1 1297918 NUSWELGMOFUJOP-UHFFFAOYSA-N 348.790 4.642 0 50 EJAA CCCc1cc(N2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1 2349665 GALILXXDFJXMRY-UHFFFAOYSA-N 334.467 4.648 0 50 EJAA Cc1ccccc1CSCCNC(=O)Nc1ccc(Cl)cc1 2881676 YRKCZOHOIGCUNA-UHFFFAOYSA-N 334.872 4.703 0 50 EJAA Cc1cc(OCCOc2cccc3cccnc23)cc(C)c1Cl 2983634 JXRQZXBZIQEWOC-UHFFFAOYSA-N 327.811 4.963 0 50 EJAA aggregator COc1ccc(OCCCOc2cc(Cl)ccc2Cl)cc1 2984015 FIICJMXZLJHHCF-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccncc1 12383951 VUDRLYADWOHFCK-SECBINFHSA-N 334.803 4.580 0 50 EJAA CSC1=NC(C)(C)C=C(/C=C/c2ccc(Cl)cc2Cl)N1 13125368 UKETVPRKGSRQLQ-FNORWQNLSA-N 327.280 4.991 0 50 EJAA Cc1ccc(CNc2cccc(C(=O)N3CC=C[C@@H]3C(C)C)c2)s1 65393775 VNNVWZUGAJLKHN-LJQANCHMSA-N 340.492 4.705 0 50 EJAA Cc1ccc(F)c(C(=O)N2CCCC[C@H]2CCc2cccs2)c1F 91254741 PEHCQQSDAKQKTQ-AWEZNQCLSA-N 349.446 4.962 0 50 EJAA Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3ncsc3c2)o1 155393878 XIEKLSYOTMSPDC-HNNXBMFYSA-N 341.436 4.957 0 50 EJAA CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cc(F)ccc1F 179810840 NCKHJBNFSVHPAB-KRWDZBQOSA-N 330.378 4.803 0 50 EJAA O=C(Nc1ncccc1Cl)c1cc(-c2ccccn2)ccc1Cl 179887798 WETFZUXLFCSRFV-UHFFFAOYSA-N 344.201 4.703 0 50 EJAA C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-c2cccc(F)c2)cc1 215147931 NHBXNSPMRBVHTP-HNNXBMFYSA-N 334.394 4.721 0 50 EJAA Cc1ccccc1N(C(=O)c1csc(C(F)(F)F)n1)C(C)C 253416175 LZUBUDKJTJETAG-UHFFFAOYSA-N 328.359 4.526 0 50 EJAA CC(C)(C)c1coc(CN2CCCC[C@@H]2c2nc3ccccc3o2)n1 892162425 YTKYVAPDVIGLFS-OAHLLOKOSA-N 339.439 4.841 0 50 EJAA c1ccc([C@@H]2CN(Cc3ccc4ncccc4c3)C[C@H](C3CC3)O2)cc1 1875245002 GCGCDQITSJFLBY-XZOQPEGZSA-N 344.458 4.587 0 50 EJAA Cc1ccc(O)c(NC(=O)c2ccc(Cl)cc2-c2ccccc2)n1 2325852429 FLZVINFRSDGCNU-UHFFFAOYSA-N 338.794 4.668 0 50 EJAA Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3s2)c1 97873 XTZPSYDGMDUSEE-UHFFFAOYSA-N 328.462 4.644 0 50 EJAA Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 449921 GAFFLBUMAKSOCL-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Cc1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1C 1428485 HOJFJMQDHQTLIN-UHFFFAOYSA-N 339.464 4.673 0 50 EJAA Cc1ccc(SCCOCCn2cnc3cc(C)c(C)cc32)cc1 2881282 PFAABJYJIYDQME-UHFFFAOYSA-N 340.492 4.770 0 50 EJAA O=C(O)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 5713502 YLRVNVFRKCEBEP-UHFFFAOYSA-N 331.582 4.924 0 50 EJAA C[C@@H](Oc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 6729347 SWYRRNWLPKTVLS-LLVKDONJSA-N 345.196 4.639 0 50 EJAA Fc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1 6859367 DCLFFJASADCESO-UHFFFAOYSA-N 331.803 4.623 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC[C@H]1CCCO1 10155756 IREGWBXWWBLUGA-OAHLLOKOSA-N 346.814 4.542 0 50 EJAA CCCN(Cc1ccc(OC)c(OCc2ccccc2)c1)CC1CC1 23281797 WMZHCLXNIFUXPW-UHFFFAOYSA-N 339.479 4.896 0 50 EJAA CSCc1ccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)o1 77406114 YALBLTUGTKFAJJ-INIZCTEOSA-N 333.428 4.649 0 50 EJAA COCc1ccc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)cc1 122041752 LPKHQQMYWARRNY-UHFFFAOYSA-N 347.462 4.645 0 50 EJAA Cc1noc(C)c1-c1cc(-c2ccccc2Cl)nc(C2CC2)n1 670456102 BONGKNZAOXOSJV-UHFFFAOYSA-N 325.799 4.946 0 50 EJAA Cc1nc([C@@H](C)N(C)C(=O)c2csc3c2CCCC3)c(C)s1 1506414306 OAPGTFDODXPYGH-SNVBAGLBSA-N 334.510 4.533 0 50 EJAA CCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1857524633 XTAARPJDFFXHGH-HMJACCDDSA-N 346.511 4.920 0 50 EJAA Cc1ccc(Sc2ccnc(N[C@@H]3CC[C@]4(C3)CC4(F)F)n2)cc1 1875408549 YVUYZCSYXKOVCE-DYVFJYSZSA-N 347.434 4.926 0 50 EJAA O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C1CCCCC1 91052 ZEZFNHJAXJEXGX-UHFFFAOYSA-N 348.398 4.946 0 50 EJAA CC(C)NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 1064321 QLUYYRWGGZNJJP-UHFFFAOYSA-N 331.721 4.757 0 50 EJAA aggregator Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)c1 19745649 HTJMGYQPIWUPNU-JOCHJYFZSA-N 344.414 4.614 0 50 EJAA Cc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 55544052 QNGGKCSNYQHDAO-UHFFFAOYSA-N 342.486 4.984 0 50 EJAA Cc1ccc(S[C@@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 55554140 CBOKMJAJUZMGEO-HNNXBMFYSA-N 325.477 4.993 0 50 EJAA CC(=O)c1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cs1 82100139 UOVCVBJTMIDSCL-OAHLLOKOSA-N 347.505 4.640 0 50 EJAA Nc1nc(-c2ccccc2)c2c(-c3ccc4ccccc4c3)ccnn12 169681444 XMGNGYDKFKCKCU-UHFFFAOYSA-N 336.398 4.799 0 50 EJAA CC(C)(C)n1cc(CNC2(c3ccc(Cl)cc3)CCCCC2)nn1 190926269 NBONKZRDAWEPEH-UHFFFAOYSA-N 346.906 4.636 0 50 EJAA CC(C)c1ccc(NC(=O)c2n[nH]nc2-c2cccc(Cl)c2)cc1 206652750 WUQUYENTBWDRLZ-UHFFFAOYSA-N 340.814 4.501 0 50 EJAA CCCCOc1ccc([C@H](C)N[C@H](C)c2cc(C)on2)cc1OC 225735010 KKXLUBLJXBRZLL-LSDHHAIUSA-N 332.444 4.582 0 50 EJAA Cc1ccc(-c2c(C)sc3nc(-c4cscn4)nc(O)c23)cc1 432496048 UNIZCCDBWNAHRR-UHFFFAOYSA-N 339.445 4.804 0 50 EJAA Cc1nc2ccc(CSc3ncc(-c4ccc(F)cc4)o3)cc2[nH]1 460426749 LAIXJXOLRBYDJB-UHFFFAOYSA-N 339.395 4.958 0 50 EJAA CC(C)c1c(NCc2ccncc2)cnn1-c1ccccc1Cl 480478774 UKPYVWWCLZNUOP-UHFFFAOYSA-N 326.831 4.656 0 50 EJAA C[C@@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)[C@@H](C)[C@H]1C 1310642293 HBWZTCUBXKXUEA-WOPDTQHZSA-N 333.819 4.503 0 50 EJAA Cc1cc(NCCCn2ccnc2C(C)C)c2cc(F)cc(F)c2n1 1529199192 YRSHOGROLWERES-UHFFFAOYSA-N 344.409 4.644 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1C 108730 OKJBRLXKGFEPJO-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA COc1ccc(NC(=O)COc2cccc3ccccc23)cc1Cl 441780 NPZFVGICMSHKCU-UHFFFAOYSA-N 341.794 4.519 0 50 EJAA Nc1ccccc1C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 3080755 IJMYKMHAVVYXOU-UHFFFAOYSA-N 333.231 4.537 0 50 EJAA Cc1ccnc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1 4370168 DVFMVZSPYIULMB-UHFFFAOYSA-N 335.436 4.522 0 50 EJAA O=C(c1ccccc1Cl)N(Cc1cccc(F)c1)c1ccccn1 28291431 IEYLUGZSPXIFJL-UHFFFAOYSA-N 340.785 4.721 0 50 EJAA C[C@@H](CCC(C)(C)C(=O)OC[C@@H]1CO1)c1c(Cl)cccc1Cl 43681896 VALBCASDXQVOLS-RYUDHWBXSA-N 345.266 4.845 0 50 EJAA COc1ccc(-c2csc(-c3c(F)cccc3F)n2)c(OC)c1 170597902 KGFJUSJRGWHEEL-UHFFFAOYSA-N 333.359 4.773 0 50 EJAA CCCO[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1 822975680 ODDYUOLKZKIIMG-GOSISDBHSA-N 338.451 4.777 0 50 EJAA CCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1 217842 DQXSPZPGYSAEQG-UHFFFAOYSA-N 346.430 4.537 0 50 EJAA CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 435797 XPFCNMQJNPXHKD-UHFFFAOYSA-N 349.477 4.506 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C(=O)O)=C[C@H]21 2568061 YOVRGSHRZRJTLZ-HOTGVXAUSA-N 344.451 4.801 0 50 EJAA biogenic,in-vitro CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Cl)c1O 3903961 LVTOGSYEVIGZRJ-SOFGYWHQSA-N 341.794 4.869 0 50 EJAA CCCCCc1c(C)nc(Nc2ccc(Cl)cc2Cl)[nH]c1=O 17027282 NZJFSEQRSPGATJ-UHFFFAOYSA-N 340.254 4.861 0 50 EJAA CCCCN(Cc1cccc(Oc2ncccn2)c1)Cc1ccco1 55385190 XIKGXMQBJMIEPM-UHFFFAOYSA-N 337.423 4.664 0 50 EJAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 244723566 MDUNPKZOBHMOBW-LNRXMEIDSA-N 342.571 4.708 0 50 EJAA CC(C)(C)N[C@@H]1C=C([Si](C)(C)C)Sc2nc3ccccc3n21 675010853 YNJZTAURWPMPBJ-AWEZNQCLSA-N 331.561 4.790 0 50 EJAA COc1cccc(-c2nc(N(C)[C@@H](C)CC3CC3)c3ccccc3n2)c1 1875359140 VYJYMQHUUCOSDT-HNNXBMFYSA-N 347.462 4.930 0 50 EJAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 75488 YGELMAGAUGHTDT-CRAIPNDOSA-N 332.403 4.872 0 50 EJAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 452692 OSZHIMVWMCPDOC-ZDUSSCGKSA-N 326.465 4.635 0 50 EJAA Oc1ccc(Cl)cc1-c1cc(-c2cccc(Br)c2)[nH]n1 13130421 HBIWZNFOGCRLEA-UHFFFAOYSA-N 349.615 4.865 0 50 EJAA O=C(c1ccc2occc2c1)N1CCCC[C@@H]1CCc1cccc(O)c1 91755410 RFHABPLXANWHTC-LJQANCHMSA-N 349.430 4.766 0 50 EJAA O=C(O)CC(=Cc1ccc(F)c(F)c1)c1nc2ccccc2s1 1857532148 IBMOSFNSPJJIDF-UHFFFAOYSA-N 331.343 4.590 0 50 EJAA COc1ccc([C@H](Nc2nc3cc(F)cc(F)c3o2)C(C)C)cc1 1875343248 VPPOZIZGJHNTID-MRXNPFEDSA-N 332.350 4.924 0 50 EJAA COC(=O)c1cc2cc(NCc3cccc(CC4CCC4)c3)ccc2[nH]1 2325841944 KRAYKODGHQUFQQ-UHFFFAOYSA-N 348.446 4.909 0 50 EJAA C[C@H](Cc1ccc2c(c1)CCCC2)NCC[C@](C)(O)C1CCCCC1 2325842480 ZUYBBYXNPXEOAT-JPYJTQIMSA-N 343.555 4.807 0 50 EJAA C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1 117134 BMGZFFBJAXYWAY-MRXNPFEDSA-N 330.431 4.774 0 50 EJAA COc1cccc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)c1OC 276240 DNGDLOYNSJWQLP-QGZVFWFLSA-N 333.387 4.597 0 50 EJAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 453980 BZPFKVOMVNJHDK-UHFFFAOYSA-N 346.883 4.764 0 50 EJAA Cn1c(SCc2cccc3ccccc23)nnc1-c1ccc(N)cc1 468004 DNRPRFRPFJWWAE-UHFFFAOYSA-N 346.459 4.510 0 50 EJAA O=C(COc1ccc2ccccc2c1)c1ccc(Br)cc1 476826 UXFUBINLFLWBFP-UHFFFAOYSA-N 341.204 4.864 0 50 EJAA CCOc1ccc(NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 611003 SOYLQNHGFWODAG-UHFFFAOYSA-N 343.496 4.740 0 50 EJAA CC1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)cc2)CC1 615612 ZIBMVQWVNRMNLQ-UHFFFAOYSA-N 343.467 4.812 0 50 EJAA Nc1nccc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 1389987 IMLUISSOPUJQJK-UHFFFAOYSA-N 346.217 4.612 0 50 EJAA Nc1nc(SC/C=C/c2ccccc2)nc2sc3c(c12)CCC3 1831798 MXLVSMOEHJVCAW-VMPITWQZSA-N 339.489 4.568 0 50 EJAA CCCCn1cnc2scc(-c3ccc(OCCC)cc3)c2c1=O 1911981 IJWZOLBUAVLANP-UHFFFAOYSA-N 342.464 4.714 0 50 EJAA COc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1 2501570 GSQCCBYWSCWWNX-UHFFFAOYSA-N 325.437 4.628 0 50 EJAA CCOC(C(=O)Nc1ccc(F)cc1)(c1ccccc1)c1ccccc1 2743397 UWMYGSRBSYTDMN-UHFFFAOYSA-N 349.405 4.745 0 50 EJAA C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2Cl)c1 2750713 FXWNSRDURXATQD-OAHLLOKOSA-N 343.854 4.934 0 50 EJAA CCCOc1cc(Cl)c(CNCCc2ccccc2)cc1OCC 20512376 CIRNUPCPNUNJFG-UHFFFAOYSA-N 347.886 4.860 0 50 EJAA Clc1ccccc1-c1cc2ncc3c(n2n1)-c1ccccc1OC3 45068560 IZQYOGRCXYHLMY-UHFFFAOYSA-N 333.778 4.609 0 50 EJAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ncoc1C1CC1 77453299 HYUSWVBQCOQCCQ-UHFFFAOYSA-N 348.402 4.617 0 50 EJAA Cc1ccc2c(c1)OCCC[C@@H]2Nc1cccc(NC(=O)C2CC2)c1 182958931 HYNOJPWWDJUOSQ-IBGZPJMESA-N 336.435 4.669 0 50 EJAA COCCC[C@@H]1CCCCN1C(=O)Nc1c(C)cc(C)cc1Cl 299792782 GWYHSBHPSDLDLK-HNNXBMFYSA-N 338.879 4.770 0 50 EJAA CC(C)c1c(NCc2cncs2)cnn1-c1ccccc1Cl 480479215 HOSVRIJXLPPNEL-UHFFFAOYSA-N 332.860 4.718 0 50 EJAA Cc1ccc(-c2nccn2[C@@H](C)CCCC(C)(C)O)c2cccnc12 1857705854 YSVYFHBUJWRLPM-INIZCTEOSA-N 337.467 4.909 0 50 EJAA CN(C(=O)C1CC(c2ccc(C(F)(F)F)cc2)C1)c1ccccc1 2325745757 RWZDVOKYRJSENM-UHFFFAOYSA-N 333.353 4.862 0 50 EJAA Clc1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 149816 RBTNVMZRDIIANW-OAHLLOKOSA-N 339.826 4.541 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)c(Cl)c1 308905 RPQYROLKTZUIGG-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA O=C(COc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 449506 WSVCJHJFWZEKPY-UHFFFAOYSA-N 344.370 4.512 0 50 EJAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1C 462034 SZYHEISUPZRUGS-HXUWFJFHSA-N 334.371 4.677 0 50 EJAA Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1 1548439 HGEYJZMMUGWEOT-UHFFFAOYSA-N 346.474 4.986 0 50 EJAA aggregator,in-man COC(=O)c1c(-c2ccco2)csc1NC(=O)CCC1CCCC1 2821400 AWJADGBBLODCJR-UHFFFAOYSA-N 347.436 4.704 0 50 EJAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 14951017 CEIGJLJPZNTIDK-HNNXBMFYSA-N 338.476 4.633 0 50 EJAA Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)c1 35511343 YTBVDAYURVSPER-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA Cc1nc([C@@H](C)N(C)C(=O)c2ccc(-c3ccco3)cc2)c(C)s1 82125964 ZFORBBRJTWRBBD-GFCCVEGCSA-N 340.448 4.853 0 50 EJAA O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC[C@H]1c1ccccc1 216398677 AGDWITGKGIFECJ-HOTGVXAUSA-N 327.449 4.577 0 50 EJAA Cc1ccccc1[C@@]1(O)CCN(c2cc(C)c3ccc(C)c(C)c3n2)C1 1704344447 QJCNSAVFCWCPEV-HSZRJFAPSA-N 346.474 4.566 0 50 EJAA Fc1cccc(-n2nc(-c3cccs3)nc2[C@@H]2[C@H]3CCC[C@H]32)c1 1875348735 AKLCPHJRACMXIJ-FOLVSLTJSA-N 325.412 4.648 0 50 EJAA CCc1cc2c(=O)c(Oc3ccc(Cl)cc3)coc2cc1OC 307979 FNCLBUNDRLUMDR-UHFFFAOYSA-N 330.767 4.810 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 4821357 PSAPAZYEQRVNIW-IIBYNOLFSA-N 337.463 4.600 0 50 EJAA O=C(Nc1ccccc1Cl)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4955900 IZNCOMVUSQSJNF-ZIAGYGMSSA-N 340.637 4.866 0 50 EJAA CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(Cl)c2)C1 6119486 JPMAGPPPDRBEJL-SNVBAGLBSA-N 334.872 4.751 0 50 EJAA CC(C)C(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 9230443 OKEXSVGNGJPONP-UHFFFAOYSA-N 331.803 4.579 0 50 EJAA Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36620379 BKMMCDZPSDVCJY-SFHVURJKSA-N 328.843 4.695 0 50 EJAA CN(Cc1cc(-c2ccncc2)no1)Cc1ccccc1-c1ccco1 72129201 YPLUOMZWURXRLH-UHFFFAOYSA-N 345.402 4.629 0 50 EJAA C[Si](C)(C)c1cc(Cl)c([Si](C)(C)C)c(Cl)c1Cl 169816950 NMVUAXIUMUBYJN-UHFFFAOYSA-N 325.815 4.737 0 50 EJAA CC[C@H]1C[C@@H](CC)C[C@H](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 239222120 UKEPHQPRNBAUJR-PIIMJCKOSA-N 329.484 5.460 0 50 EJAA CCCC[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@H](C(C)C)O1 1857736135 MGYIGXVRQYYUSZ-IAGOWNOFSA-N 341.854 4.535 0 50 EJAA Cc1cc(F)cc(CO)c1-c1nn(Cc2ccccc2)c2ccccc12 1875338552 BKECFEJRXKSYNM-UHFFFAOYSA-N 346.405 4.691 0 50 EJAA Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)nc1-c1ccccc1 28422 OIHCVXXZJIHZQS-IRXDYDNUSA-N 334.444 4.861 0 50 EJAA FC(F)(F)c1cc(-c2cccs2)nc(NCc2cccs2)n1 213289 ROPHWZDJYJNUJE-UHFFFAOYSA-N 341.383 4.898 0 50 EJAA Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1Cl 265726 IQISTWFONYRJMS-UHFFFAOYSA-N 345.023 4.569 0 50 EJAA CCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 443750 SKLDULOZPSHGNU-GFCCVEGCSA-N 335.856 4.858 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 450866 PXEKODSRJYWUSR-CQSZACIVSA-N 326.465 4.635 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1 466857 IYKNQEKJYRKROG-UHFFFAOYSA-N 345.398 4.604 0 50 EJAA Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2Cl)cc1 859389 FGDTZDNJYHKWAN-UHFFFAOYSA-N 336.218 4.903 0 50 EJAA O=C(NCCSCc1ccccc1Cl)c1ccccc1Cl 2071962 NLFHFSWOVIUEJB-UHFFFAOYSA-N 340.275 4.657 0 50 EJAA C[C@@H](NC(=O)NC1(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 4577439 OMSPNVOUALJYAS-NEFAXPCMSA-N 338.495 4.580 0 50 EJAA c1ccc(Oc2cccc(CN3CCC[C@@H](c4cc[nH]n4)C3)c2)cc1 19535739 RPOZBKSVZOZIQK-GOSISDBHSA-N 333.435 4.582 0 50 EJAA CCc1cccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 72139997 WQJNNPHFYYGSRP-UHFFFAOYSA-N 347.422 4.735 0 50 EJAA CN(Cc1cccc2cnccc12)C(=O)c1ccc(-c2ccco2)cc1 77343184 GICZKDDIBQNFAJ-UHFFFAOYSA-N 342.398 4.767 0 50 EJAA Clc1cc(-c2ccc(Br)cc2Cl)nc(Cl)n1 135062414 LGXLUWNKIMWYGZ-UHFFFAOYSA-N 338.419 4.866 0 50 EJAA CCCc1cncc(OC/C=C/c2ccc(Br)cc2)c1 2325823740 CIFTWMYRTUZMBF-HWKANZROSA-N 332.241 4.889 0 50 EJAA Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1C 452933 YMRDIFAFGUHXKD-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA Cc1ccc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)o1 12594156 MDVSHGPCBDXYNY-HNNXBMFYSA-N 343.452 4.735 0 50 EJAA CC[C@@H](C)N(Cc1ccsc1)Cc1c(Cl)nc2sccn12 55308115 TXWCROCSESTBCB-LLVKDONJSA-N 339.917 4.911 0 50 EJAA Cc1ccc(-c2noc(-c3cccn3Cc3ccc(F)cc3)n2)cc1 263618730 VFEWWNYPYXXPIX-UHFFFAOYSA-N 333.366 4.701 0 50 EJAA CC(C)/C=C(\CN1CCC(c2ccnc(O)c2)CC1)c1ccccc1 1772818996 DRBNLKSILFHTEJ-KGENOOAVSA-N 336.479 4.706 0 50 EJAA Cc1ccc(CN(C(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)C2CC2)o1 1875252157 YOWSECYBMJBMRB-LWWAGVBASA-N 325.408 4.509 0 50 EJAA CC1(C)CCC[C@H]([C@@](C)(O)CNCc2ccc3c(c2)CCCC3)C1 2325841575 AEZXDMUWAGRXCL-UNMCSNQZSA-N 329.528 4.622 0 50 EJAA CCOc1ccc2nc(SCc3ccc4c(c3)OCO4)sc2c1 33329 UGGDUWZZEZUTBV-UHFFFAOYSA-N 345.445 4.716 0 50 EJAA CC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 116648 GQITUCMOAGYWRO-UHFFFAOYSA-N 345.398 4.574 0 50 EJAA C[C@@H]1C[C@@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1 173883 FUJJYWHEWLAICE-DNVCBOLYSA-N 332.403 4.872 0 50 EJAA Cc1ccc(NC(=O)Nc2nnc(-c3cccc(F)c3)s2)cc1C 1296066 RFORSQUUZFHLBU-UHFFFAOYSA-N 342.399 4.605 0 50 EJAA COc1cc(C)c(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1C(C)C 2999452 NTVJECKTUYLQPR-OAHLLOKOSA-N 330.255 4.649 0 50 EJAA C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1Cl 6731623 RDJKHPVGIAOGJF-SECBINFHSA-N 331.641 4.509 0 50 EJAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1F 12059087 FLRIAKQAMXAMJY-UHFFFAOYSA-N 340.785 4.717 0 50 EJAA CCc1cn[nH]c1C1CCN(Cc2cccc(-c3ccco3)c2)CC1 19782119 ALKJVBLGSHBZBE-UHFFFAOYSA-N 335.451 4.612 0 50 EJAA Cc1ccc([C@@H](c2cccnc2)n2ccnc2-c2ccco2)c(C)c1 67724221 OPKXTTJVWFFQBJ-HXUWFJFHSA-N 329.403 4.793 0 50 EJAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc(C(F)F)nc2ccccc12 170631094 HTDTWJIGOROLGT-IUODEOHRSA-N 349.425 4.821 0 50 EJAA COc1ccc([C@H](C)Nc2ccc3nc(C4CC4)oc3c2)cc1OC 182892707 SJIKMVYPAJCYBO-LBPRGKRZSA-N 338.407 4.896 0 50 EJAA CC(C)(C)C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccnc1 223568821 ARBROZOSVQWWLI-QGZVFWFLSA-N 348.849 4.710 0 50 EJAA C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccsc1 252077333 DFNQUPKLYPIEHV-BBRMVZONSA-N 325.437 4.696 0 50 EJAA CC(C)(C)c1cc(-c2cccc(F)c2)nc(NCc2cccnc2)n1 826621347 IWYDFXWGNCSXBP-UHFFFAOYSA-N 336.414 4.587 0 50 EJAA Cc1ccc(F)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1F 1506417479 JXVHTDKQVMFFKD-KRWDZBQOSA-N 343.417 4.901 0 50 EJAA CO[C@@H]1CCC[C@@]12CCCN(Cc1cc(C(F)(F)F)ccc1F)C2 1704344554 SZJHFYBRLMHOMB-SJORKVTESA-N 345.380 4.626 0 50 EJAA Cc1ccc(-c2noc(-c3cccc(NC(=O)C4CCC4)c3)n2)s1 1857798637 SVXAHIGODAIRTI-UHFFFAOYSA-N 339.420 4.512 0 50 EJAA CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1OC 306622 RLCXJXJNDVSYIE-UHFFFAOYSA-N 328.339 4.604 0 50 EJAA CC(C)Cc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1 392290 LNGNTTDTWJWVTL-UHFFFAOYSA-N 332.827 4.745 0 50 EJAA O=c1c(O)c(-c2ccc(OCc3ccccc3)cc2)oc2ccccc12 1120265 HYCPSIKUWOEHAR-UHFFFAOYSA-N 344.366 4.745 0 50 EJAA biogenic COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2493660 PJZWQTXESADMGT-UHFFFAOYSA-N 329.705 4.620 0 50 EJAA CC1(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 4550717 BCELIFGNQPVMHG-UHFFFAOYSA-N 330.225 4.753 0 50 EJAA Clc1ccc(-c2ccc(CNCc3ccccn3)o2)c(Cl)c1 7365348 DIFMQOKMMKCHKW-UHFFFAOYSA-N 333.218 4.938 0 50 EJAA COc1cccc([C@@H]2CCCN2Cc2nc(-c3ccco3)oc2C)c1 12431026 QTXNPZMUSQHGKM-SFHVURJKSA-N 338.407 4.589 0 50 EJAA Cc1cnc(NC(=O)c2sc3cccc(F)c3c2Cl)s1 13329628 WUSVYONSHYTYFN-UHFFFAOYSA-N 326.805 4.711 0 50 EJAA CC(=O)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1 14973159 YWWWTBVJYSZJGL-UHFFFAOYSA-N 341.426 4.696 0 50 EJAA CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1F 16647797 ZSDCQCKZQFMUKU-KRWDZBQOSA-N 340.423 4.883 0 50 EJAA Cc1csc(Cn2ccc(-c3cccc(-c4ncccc4C)c3)n2)n1 19641931 PHTRHOLOQFQTGV-UHFFFAOYSA-N 346.459 4.734 0 50 EJAA CCC(CC)n1ncc(C)c1NC(=O)[C@@H](c1ccccc1)C(C)C 65434182 URXFFJPNKDKESA-GOSISDBHSA-N 327.472 4.931 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)c1C 331677307 RVECKRDEDNMBBA-CXAGYDPISA-N 340.471 4.707 0 50 EJAA CC(C)(C)C[C@@H](NC(=O)c1conc1-c1ccccc1)c1cccnc1 670457204 GAIDBLOHQZPYKZ-GOSISDBHSA-N 349.434 4.644 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H]1C=Cc1cccs1 1857528408 DDWJQLRYZGZNDX-AWEZNQCLSA-N 343.452 4.632 0 50 EJAA COc1ccc(F)cc1-c1csc(=Nc2cccc(Cl)c2)[nH]1 2325721583 ZWAIOHNVAWMNGP-UHFFFAOYSA-N 334.803 4.777 0 50 EJAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc2ccccc2o1 39388 YCBYNPXAELVCMC-UHFFFAOYSA-N 328.371 4.671 0 50 EJAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 198972 PXQFZJJATBETDB-OXQOHEQNSA-N 343.430 4.674 0 50 EJAA CCOC(=O)[C@@H](C(=O)Nc1cccc2ccccc12)C1CCCCC1 235605 OVPURFJHCMJUBS-LJQANCHMSA-N 339.435 4.538 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OCC 434690 PFDWGASXXXBYID-UHFFFAOYSA-N 333.815 4.698 0 50 EJAA Cc1cc2n(n1)[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1-2 817690 PSRGKHDIYHLUEE-KRWDZBQOSA-N 329.325 4.850 0 50 EJAA Cc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1C 4056266 AWYKZUKWGIIURC-UHFFFAOYSA-N 346.455 4.790 0 50 EJAA CCc1cc(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12 4724587 KFTSZPHBQAUDIW-UHFFFAOYSA-N 328.795 4.896 0 50 EJAA Cc1ccccc1-n1nc(-c2ccc(CC(C)C)cc2)cc1C(=O)O 25762341 XDKBIRZZHAQDFE-UHFFFAOYSA-N 334.419 4.744 0 50 EJAA Cc1ccc(C[C@H]2CCCN2C(=O)c2cc3ccc(C)cc3[nH]2)cc1 170626438 SYTXZKBMLJRLOW-LJQANCHMSA-N 332.447 4.632 0 50 EJAA CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cs1 252510653 BBUQAZZAZYJWQI-TUKIKUTGSA-N 348.899 4.901 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)CO[C@@H]2CCCC[C@H]2C)cc1C 252516924 XXMMUDTYLUWUJX-LSTHTHJFSA-N 329.484 4.562 0 50 EJAA O=C(O)C1CCC(NCC2(c3ccccc3Cl)CCCCC2)CC1 263411594 LORXUYMIVSCQPU-UHFFFAOYSA-N 349.902 4.775 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C)cc1 448740 WHRYVNCQERPMBN-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA Fc1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 615471 OEOHINWMPCBHGT-UHFFFAOYSA-N 332.378 4.803 0 50 EJAA CCN(CC)CCC[C@H](C)Nc1nc(C)nc2cc(Cl)ccc12 2268142 AJYXURRZDRISPR-ZDUSSCGKSA-N 334.895 4.514 0 50 EJAA CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc(Cl)cc1Cl 2679976 LGSFGFSFIHSWAC-ZDUSSCGKSA-N 348.314 4.538 0 50 EJAA O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCCC1 2753197 JCCXUSIIDHFTRQ-UHFFFAOYSA-N 335.403 4.638 0 50 EJAA CSc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 2875337 JXDNTBMLUPQWFW-UHFFFAOYSA-N 337.897 4.584 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccncc2)no1 3250957 YPQLBYYWOADFLQ-VIFPVBQESA-N 336.178 4.578 0 50 EJAA CCn1c(Cc2cccs2)nnc1SCc1ccc(Cl)cc1 6961570 JPNNIHLSVITLLQ-UHFFFAOYSA-N 349.912 4.896 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10328165 PONXDIJYCNLRNK-UHFFFAOYSA-N 342.870 4.887 0 50 EJAA O=C(O)CCCCCCCCCCCCCCCP(=O)(O)O 45074620 JVXYHUCXFLBBGA-UHFFFAOYSA-N 336.409 4.710 0 50 EJAA COc1ccc(/C=C(/C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)cc1 105239605 INBRIWJLYGLCAS-HBZASJCJSA-N 347.458 4.541 0 50 EJAA O=C(O)c1ccc(CN(CCc2cccc(F)c2)C2CCCC2)cc1 263570795 IPKHCLUDFFYYJP-UHFFFAOYSA-N 341.426 4.511 0 50 EJAA Cc1ccccc1C1CC(N(C(=O)c2ccc([C@H](C)N)cc2)C2CC2)C1 423225278 MADHIZSOBGTMDX-YQHFOJDRSA-N 348.490 4.566 0 50 EJAA Cc1cc2cccc(C(=O)Nc3cccc(N4C(=O)CC[C@@H]4C)c3)c2o1 822376088 MAOUUTJCJJMPDU-ZDUSSCGKSA-N 348.402 4.509 0 50 EJAA CCc1noc(C)c1NC(=O)N1CCC(c2cc(C)ccc2C)CC1 930546301 SASOGUPLDORMLG-UHFFFAOYSA-N 341.455 4.574 0 50 EJAA Cc1nn(C)c(-n2cnc3ccccc32)c1-c1ccc(F)cc1Cl 2325880431 HYSNFLDIDOHKSV-UHFFFAOYSA-N 340.789 4.527 0 50 EJAA O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 20920 WFGFEOLNELJISV-UHFFFAOYSA-N 338.410 4.832 0 50 EJAA O=C(CCc1ccccc1)Oc1ccc(OCc2ccccc2)cc1 149066 ROBBAEHOOIWETD-UHFFFAOYSA-N 332.399 4.804 0 50 EJAA COc1ccc(CN2CCCC[C@H]2c2cccnc2)c2ccccc12 4982694 NAHNPQKHHDCWMN-NRFANRHFSA-N 332.447 4.971 0 50 EJAA Cc1ccccc1-c1c(C(F)(F)F)oc2c(C)c(O)ccc2c1=O 5730810 QFAARRNOSOYPBS-UHFFFAOYSA-N 334.293 4.801 0 50 EJAA biogenic Cc1cccc(NC(=O)CCC2CCN(C[C@@H]3CC=CCC3)CC2)c1 15070021 QRHWFSGFRBHOBQ-HXUWFJFHSA-N 340.511 4.782 0 50 EJAA CC[C@]1(C)C[C@@H]([C@@H]2CCCN(CCC(=O)c3ccccc3)C2)CCO1 22340212 VRGOUTDKDGPPII-TUNNFDKTSA-N 343.511 4.567 0 50 EJAA Cc1nc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)cs1 72143435 DWOGNRKSOKSTJP-CQSZACIVSA-N 336.451 4.575 0 50 EJAA O[C@@H](c1cc2ccccc2s1)c1cc(Br)ccc1F 131188169 BUUJMMYEBTVSHQ-OAHLLOKOSA-N 337.213 4.885 0 50 EJAA in-vitro Cc1ccc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 241132941 JNKKQLUMHXVIAJ-MRXNPFEDSA-N 335.472 5.118 0 50 EJAA Cc1ccc(CNCc2nc(-c3ccc(F)cc3)cs2)c(F)c1 2325853320 LJUMTXFDKFMHKZ-UHFFFAOYSA-N 330.403 4.687 0 50 EJAA CCc1c(C(=O)c2ccc(C)cc2)oc2ccc3c(C)cc(=O)oc3c12 82519 BITTUQPFWHJUJT-UHFFFAOYSA-N 346.382 4.949 0 50 EJAA biogenic Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 459719 ZWAAVWQTDJULSJ-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA Cc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)cc1 563419 TZMBEPMPIPAJJT-UHFFFAOYSA-N 338.432 4.798 0 50 EJAA CCOc1ccc(OCCCCOc2cccc3cccnc23)cc1 2983732 OGUCVCBFQIOHGH-UHFFFAOYSA-N 337.419 4.872 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4903262 XTIBUUCCWIKJEO-XUYIKJJZSA-N 341.495 4.565 0 50 EJAA Cc1cc(F)c(F)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl 5050108 MOCLIXJDRRLQEG-UHFFFAOYSA-N 339.813 4.625 0 50 EJAA O=C(Nc1ccccc1Br)N[C@@H]1CCCc2ccccc21 13746070 YWKVPHBDWYTFED-OAHLLOKOSA-N 345.240 4.648 0 50 EJAA Cc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 55543989 YGCZJAFVNVFPFR-UHFFFAOYSA-N 335.278 4.624 0 50 EJAA COc1ccc2[nH]c(CN3CCCC[C@@H]3c3ccccn3)c(C)c2c1 72154852 YLOAEOYOZHBBRQ-OAQYLSRUSA-N 335.451 4.607 0 50 EJAA C[C@@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccncc1F 340514403 LQCPAKZUJANKRP-CQSZACIVSA-N 336.414 4.594 0 50 EJAA COCCC1(CN[C@@H](C)c2ccc(Oc3ccccc3)cn2)CCC1 453131114 GFRBQGATIUPWNR-KRWDZBQOSA-N 340.467 4.731 0 50 EJAA CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1OC 302011 KPAMTUAWBXIJCN-UHFFFAOYSA-N 328.339 4.604 0 50 EJAA Cc1oc2ccc(OCc3ccc(F)cc3Cl)cc2c1C(=O)O 307888 KTSIOAREDUQAOH-UHFFFAOYSA-N 334.730 4.811 0 50 EJAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCCc3ccccc32)c1 6844514 KPQDVRVIISRAGC-UHFFFAOYSA-N 343.854 4.785 0 50 EJAA Cc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 43125012 CJCZLTJXYMEFAS-LJQANCHMSA-N 349.453 4.904 0 50 EJAA CC[C@H](c1cccnc1)N(C)C(=O)CCCc1ccc(Cl)cc1 77343839 MIMJKDZPRUGRHZ-GOSISDBHSA-N 330.859 4.667 0 50 EJAA Cc1cc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 184949903 IJESCCQRVNGLED-NSHDSACASA-N 347.871 4.919 0 50 EJAA CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 309799 PLUDLPGLMZPHBZ-UHFFFAOYSA-N 328.170 4.784 0 50 EJAA O=C(Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2o1 342219 XJABTLQAFZZRLR-UHFFFAOYSA-N 328.780 4.948 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1C 359604 KTQWBORPCRWFIU-UHFFFAOYSA-N 328.843 4.809 0 50 EJAA COc1ccc(OC)c(C=C2c3ccccc3C(=O)c3ccccc32)c1 396230 PNFUAKUEYGBPKK-UHFFFAOYSA-N 342.394 4.837 0 50 EJAA O=C(Nc1cccc2ccccc12)c1ccc(C(=O)c2ccccc2)o1 446511 GRPKRMUULVOWHV-UHFFFAOYSA-N 341.366 4.916 0 50 EJAA Clc1ccc2nc(NCc3ccccn3)nc(-c3ccccc3)c2c1 547505 OALAEYCECSPWAZ-UHFFFAOYSA-N 346.821 4.957 0 50 EJAA O=c1[nH]c(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 5072891 IHNWXFNDISMGIL-UHFFFAOYSA-N 342.442 4.862 0 50 EJAA biogenic C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccncc2)nc2ccccc12 17072022 RPXVZWKOTCPEBI-IYBDPMFKSA-N 345.446 4.700 0 50 EJAA COc1ccc(CC[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1 23282411 RLKWKVKOCBLNRI-IBGZPJMESA-N 337.507 4.971 0 50 EJAA Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1C 119854482 QRXUUJYHSWLWDW-BEFAXECRSA-N 339.483 4.501 0 50 EJAA O=C(Nc1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1 152498991 HHGVAEMMWHIZBH-UHFFFAOYSA-N 348.805 4.554 0 50 EJAA Cc1ccc2oc(SCc3csc(C4CCCC4)n3)nc2n1 329671007 TXJDDMXBSYBZCD-UHFFFAOYSA-N 331.466 4.938 0 50 EJAA Nc1cccc(-c2noc(-c3ccccc3Oc3ccccc3)n2)c1 795719600 AWWVWELLOXXAGZ-UHFFFAOYSA-N 329.359 4.778 0 50 EJAA CCCCCc1nc(C(=O)NCC23CCC(CC2)C3(C)C)cs1 1875357520 KILRBFXPDCWNBN-UHFFFAOYSA-N 334.529 4.822 0 50 EJAA CCOc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C)oc2c1 307431 XODIQYDQOFAARG-UHFFFAOYSA-N 330.767 4.946 0 50 EJAA CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1 372362 YSUCHCHXVZIELC-CABCVRRESA-N 341.451 4.708 0 50 EJAA C[C@@H](NC[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 406582 FOINBVXLWLHZNX-MJGOQNOKSA-N 344.458 4.506 0 50 EJAA CCN(CC)c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 13483134 TVIYXXFKSQTYGQ-ZROIWOOFSA-N 328.843 4.838 0 50 EJAA COc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 36620389 FLAASPYWUYJSDI-INIZCTEOSA-N 330.815 4.718 0 50 EJAA Cc1ccccc1-c1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 44126769 YVDMKKLMVYSEIN-INIZCTEOSA-N 338.451 4.781 0 50 EJAA Cc1c(NC(=O)c2ccc(Cl)c3cccnc23)cccc1N(C)C 181927307 JWLPTRAGKMAWFQ-UHFFFAOYSA-N 339.826 4.515 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1cccc(CC(C)C)c1 2325842002 LRJBGNMLFGRUBN-PZJWPPBQSA-N 339.523 4.695 0 50 EJAA CC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 104198 GMKXAECWEHSRLC-UHFFFAOYSA-N 344.823 4.765 0 50 EJAA CCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 173609 VHPMXIAITVEOMD-UHFFFAOYSA-N 345.196 4.606 0 50 EJAA O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(F)cc3)cc2o1 497832 ZFLZYBFJGVRDRL-UHFFFAOYSA-N 338.256 4.530 0 50 EJAA O=C(CCC1CCCCC1)Nc1ccc(C(=O)c2ccncc2)cc1 1058336 NHSWSMWHILARJG-UHFFFAOYSA-N 336.435 4.612 0 50 EJAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCSc2ccccc21 1390803 UTOITBDHLVCDJB-UHFFFAOYSA-N 338.354 4.850 0 50 EJAA CCOCc1ccccc1NC(=O)c1cncc(-c2cccc(C)c2)c1 122092885 CBLGKOHAXGTJEH-UHFFFAOYSA-N 346.430 4.846 0 50 EJAA Clc1cccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1 253489407 FDDGVKWNNYKGKF-VQTJNVASSA-N 332.919 4.569 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 184338 YBKKPWCYQHZBOW-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 317355 VANFTVWGTZRBKI-UHFFFAOYSA-N 347.414 4.917 0 50 EJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1 519983 RPLBYGPCGJRPFT-OAHLLOKOSA-N 329.469 4.599 0 50 EJAA CCCCc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1 2276595 GYDVBQQSLHHJAA-UHFFFAOYSA-N 328.415 4.882 0 50 EJAA CCCCOc1c(Cl)cc(CNCc2ccccc2)cc1OC 2745781 NQFVNOMPSDHYGE-UHFFFAOYSA-N 333.859 4.817 0 50 EJAA CCCN1CCC(NCCC(c2ccccc2)c2ccccc2)CC1 4612609 BFROMXVPJLPZJN-UHFFFAOYSA-N 336.523 4.673 0 50 EJAA Cc1c(Cl)cccc1NC(=S)NCc1ccccc1Cl 8830246 JWEFANVNEHLLDH-UHFFFAOYSA-N 325.264 4.788 0 50 EJAA O=C(NCc1cccnc1)/C(=C/c1ccccc1Cl)c1ccccc1 22276259 ZJJKVLGLXSAALI-CPNJWEJPSA-N 348.833 4.592 0 50 EJAA NCCCn1cnc(-c2ccccc2)c1-c1cccc(Cl)c1Cl 65417741 GQFRYZXBVLGYCT-UHFFFAOYSA-N 346.261 4.873 0 50 EJAA Cc1cc2cc(NC(=O)N(CC3CCC3)C[C@@H]3CCCO3)ccc2o1 95516743 UQYBTNRHQGTPEU-SFHVURJKSA-N 342.439 4.554 0 50 EJAA Fc1ccc2oc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)cc2c1 170606898 IKWFCBKBLYVBDN-SFHVURJKSA-N 335.382 4.785 0 50 EJAA CC1=C[C@@H](C)[C@@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 239338591 KUFAUZJRIITNBN-RXGLGVBBSA-N 333.560 4.758 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC(=O)C[C@@]4(C)CC[C@H]32)C1 257346102 RAVPGOUPQFSNSA-APLKLUOQSA-N 332.484 4.530 0 50 EJAA O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1 262081 CLMYITQBZRLJIH-UHFFFAOYSA-N 326.248 4.865 0 50 EJAA COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC 432943 BBICUVDUPYBGLP-UHFFFAOYSA-N 348.402 4.700 0 50 EJAA Cc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1 2205726 VCXZUCYUBMBQHQ-UHFFFAOYSA-N 326.359 4.513 0 50 EJAA O=C(Nc1cccc(Cl)c1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 2907040 YYQHBZPYYSOYHE-UONOGXRCSA-N 340.637 4.866 0 50 EJAA COc1ccccc1OCC(=O)NC1CCCCCCCCCCC1 4037625 KRNCGENTUXTPNP-UHFFFAOYSA-N 347.499 4.864 0 50 EJAA O=C1C[C@@H](c2cccs2)Sc2nc(-c3ccc(Cl)cc3)nn21 4387876 LELXAROFFJXUIH-LBPRGKRZSA-N 347.852 4.537 0 50 EJAA Clc1ccc(COc2ccc(CNCc3ccccn3)cc2)cc1 6701454 RTEHTMVOSUREET-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(OCC)cc3)=NN12 25581863 FSVQBXUFAOCYLX-TZIWHRDSSA-N 336.435 4.755 0 50 EJAA C[C@H](c1ccncn1)N(C)Cc1ccc(-c2ccc(Cl)cc2F)o1 55284550 YMWVZEJSFVKDRI-GFCCVEGCSA-N 345.805 4.722 0 50 EJAA CC(C)c1ccc(-c2cc([C@@H]3CCN(Cc4ncc[nH]4)C3)ccn2)cc1 65429838 PUQAPAPDTOLPHA-HXUWFJFHSA-N 346.478 4.585 0 50 EJAA Cc1ccc2cc(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)[nH]c2c1 170634445 DGNZUULCKOTSNO-SJLPKXTDSA-N 332.447 4.803 0 50 EJAA Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)o1 173580899 SPFIFGJENYQTAQ-ZNFPLGDCSA-N 332.403 4.541 0 50 EJAA Cc1cc(C)c(NC(=O)c2cnc(-c3cccs3)s2)c(Cl)n1 225434407 XDTJMWDLLJZWOD-UHFFFAOYSA-N 349.868 4.789 0 50 EJAA C[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cc(F)cc(F)c1 242389505 ZXSVJCXXEVBMIH-SVIJTADQSA-N 347.405 4.820 0 50 EJAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@@H]1CC=Cc2ccccc21 1875305673 XILJAJWTFJKZLN-SYYKKAFVSA-N 347.458 4.694 0 50 EJAA Cc1ccc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nc1 1875328974 VRAAZEMUZQEEBG-MRXNPFEDSA-N 328.419 4.878 0 50 EJAA Cc1ccccc1C[C@H](NC[C@@H](CCO)CC(C)C)c1ccco1 2325841063 BSYGFILJLZDAJE-ICSRJNTNSA-N 329.484 4.506 0 50 EJAA Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1 75658 QNBNEVDEANWKFB-UHFFFAOYSA-N 325.803 4.629 0 50 EJAA biogenic COC(=O)c1ccccc1N(C(=O)c1ccc(C)cc1)c1ccccc1 402153 DGSCSENJQJGXCG-UHFFFAOYSA-N 345.398 4.760 0 50 EJAA Cc1ccc2c(Cl)c(C(=O)Nc3nc4ccccc4[nH]3)sc2c1 483447 YFPYDDFNEQWCHR-UHFFFAOYSA-N 341.823 4.992 0 50 EJAA Cc1ccc(-n2nc(C)c(C(=O)O)c2-c2ccc(Cl)cc2)c(C)c1 4237729 LIQGKCANZRDQPC-UHFFFAOYSA-N 340.810 4.816 0 50 EJAA CCOc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1 4622790 INXDXHICQRWWAX-UHFFFAOYSA-N 344.524 4.588 0 50 EJAA Clc1ccccc1COc1cccc(CNCc2ccccn2)c1 6703254 GPAHNRPLVORPEM-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA Oc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1Br 15015612 LYRHKHXPDLTBIP-QPJJXVBHSA-N 342.192 4.579 0 50 EJAA CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)O 27639693 DPNOTBLPQOITGU-JYYURTCRSA-N 338.488 4.504 0 50 EJAA in-vitro O=C(c1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1ccccn1 28292143 ISNYALMGFBJYMQ-UHFFFAOYSA-N 340.785 4.721 0 50 EJAA Cc1c([C@@H](NCc2cn(C(C)(C)C)nn2)C(C)C)oc2ccccc12 191013658 BXIKHVJVMAQDIY-SFHVURJKSA-N 340.471 4.575 0 50 EJAA CC(C)CCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@H](C)[C@H]1C 239203320 SDCUDEZNTYGSGW-LNKGRISISA-N 328.500 4.601 0 50 EJAA Fc1cccnc1NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1875335732 DZXOXCOIAACQMR-QGZVFWFLSA-N 331.394 4.946 0 50 EJAA O=C(CCCCCc1c[nH]c2ccccc12)OCc1cncc(F)c1 2325726186 FLSHCVPHSVJAJJ-UHFFFAOYSA-N 340.398 4.548 0 50 EJAA O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 521643 RQHMSZNYEXXTBQ-GFCCVEGCSA-N 344.486 4.863 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccccc2C(=O)OC)cc1 611693 JSXYEMIWMXPUEE-CYBMUJFWSA-N 342.464 4.796 0 50 EJAA CC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 1185087 QPZWOVZJKFZTKS-UHFFFAOYSA-N 345.398 4.721 0 50 EJAA O=C(CSCc1c(F)cccc1Cl)NCCC1=CCCCC1 2872224 JSNDGELAABSSBS-UHFFFAOYSA-N 341.879 4.719 0 50 EJAA Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 4821062 DGXJTLFVSOAZKX-UHFFFAOYSA-N 348.398 4.508 0 50 EJAA Cc1oc(-c2ccc(F)cc2)nc1CN1CC[C@@H]2CCCC[C@H]2C1 12583912 XGRAWCOJNHDWHT-RDJZCZTQSA-N 328.431 4.801 0 50 EJAA CC[C@@H](O)Cn1ccc(-c2cccc(-c3cnc4ccccc4c3)c2)n1 82039468 PLPXFQJTHUMAHT-HXUWFJFHSA-N 343.430 4.536 0 50 EJAA CC1(C)Cc2ccccc2C(/C=C2\NC(C)(C)Cc3ccccc32)=N1 100098765 YPHNGCITQWHXHK-MOSHPQCFSA-N 330.475 4.776 0 50 EJAA Oc1cccc(C2CCN(Cc3cc(C4CCCCC4)no3)CC2)c1 1506428213 OHBXRZNEOQYSMW-UHFFFAOYSA-N 340.467 4.808 0 50 EJAA Fc1cccc(Cl)c1CCSCc1cn2cccc(F)c2n1 1875329739 GRDXRFROZMRYFL-UHFFFAOYSA-N 338.810 4.742 0 50 EJAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1[C@H](C)CCC2 151137 HOOIMJQJOQDEGF-SNVBAGLBSA-N 349.477 4.678 0 50 EJAA COc1cc(NC(=O)Nc2cccc(Cl)c2)c(OC)cc1Cl 293991 LZATTWZTNNNYBS-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA CC[C@@H](C(=O)Nc1ccccc1NC(=O)c1ccco1)c1ccccc1 367915 UTDKDTBADHFDLJ-MRXNPFEDSA-N 348.402 4.664 0 50 EJAA COc1ccc2c(Cl)cc(NC(=O)Nc3ccc(C)cc3)nc2c1 397199 UOWOSBOBMBIGIJ-UHFFFAOYSA-N 341.798 4.849 0 50 EJAA Cc1cc(C)cc(NC(=O)CSCc2c(F)cccc2Cl)c1 581188 MDKSAZCLOIWPOK-UHFFFAOYSA-N 337.847 4.968 0 50 EJAA O=C(c1ccc2ccccc2c1)N1CCC(Cc2ccccc2)CC1 1179173 KDGNDTLMHGFDSL-UHFFFAOYSA-N 329.443 4.935 0 50 EJAA COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 1389609 AGTVVKPZONUBMZ-UHFFFAOYSA-N 347.201 4.633 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2c(Cl)cccc2Cl)c(C)c1 2835751 WGTWVNCYCJOONF-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN12 13616604 DTKVSVBSSIOTDD-PBHICJAKSA-N 332.856 4.927 0 50 EJAA CSc1ccc2nc(NCc3ccc4c(c3)OCO4)cc(C)c2c1 23550126 MUMWGWDGDGORCM-UHFFFAOYSA-N 338.432 4.606 0 50 EJAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254046654 IQGZWLYDESGLID-XXWNAYEUSA-N 330.512 4.905 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257345598 CGMZETDGTMDEAD-YLMBYVEPSA-N 332.528 4.841 0 50 EJAA Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(ccn3C)c2)s1 888088457 AUDHIQORZWDJIH-UHFFFAOYSA-N 347.443 4.863 0 50 EJAA C[C@H]1CCc2sc3ncnc(Nc4ccc(N(C)C)cc4)c3c2C1 85743 IHNPNYIENBLEFY-LBPRGKRZSA-N 338.480 4.626 0 50 EJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCCC1 183850 OZZIGUCEIWXPIA-UHFFFAOYSA-N 339.222 4.583 0 50 EJAA O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12 204787 ORLRJBZVPFJGRE-UHFFFAOYSA-N 346.361 4.564 0 50 EJAA CC(C)CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 310906 GIRUUFLCWMHXSJ-UHFFFAOYSA-N 339.258 4.557 0 50 EJAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Br)cc1 443715 SHYHOCFISRJXSQ-LLVKDONJSA-N 336.254 4.568 0 50 EJAA O=C(Nc1ccc(Br)cc1)c1ccccc1C(F)(F)F 449922 RVHMDMYLBOXPGB-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA Cc1ccc(-c2nc(NC(=O)c3ccc(F)cc3)sc2C)cc1 450859 FLQUBZNAEMCWSG-UHFFFAOYSA-N 326.396 4.818 0 50 EJAA S=C(NCCc1ccccc1)Nc1ccc(Cl)cc1Cl 459781 QSPHYELBTCKGID-UHFFFAOYSA-N 325.264 4.523 0 50 EJAA CC1(C)C[C@@]2(C)OC(=O)N(Cc3ccccc3)[C@]2(C)c2ccccc21 1430479 YKHFUHFZOPAGCY-FGZHOGPDSA-N 335.447 4.994 0 50 EJAA CCCCNCCCOc1ccc2ccccc2c1Br 3000588 IQKUXJUWVDTDHF-UHFFFAOYSA-N 336.273 4.761 0 50 EJAA C[C@H]1CN(CCCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 16247821 KJVYOTNIJSFCAY-KDURUIRLSA-N 339.479 4.622 0 50 EJAA CCc1ccc(-c2cc(C(F)(F)F)c3cnn(CC)c3n2)s1 20605881 MOVAEELIWBKGPN-UHFFFAOYSA-N 325.359 4.761 0 50 EJAA C[C@@H](N[C@H](C)c1cnccn1)c1ccc(Oc2ccccc2)c(F)c1 119183847 IHOZGPTZRJMATD-HUUCEWRRSA-N 337.398 4.820 0 50 EJAA CC(C)(C)[C@@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 136066148 NUFMXUVBRHSLPS-SJORKVTESA-N 330.497 4.872 0 50 EJAA O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 239425963 VNZBMYOFBVVHJR-JEOQOABZSA-N 337.394 4.820 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CCC[C@H]2c2ccccc2)c1C 331496394 HAQZWQLSEYLAJY-KSSFIOAISA-N 326.444 4.532 0 50 EJAA CC(C)Oc1ccc(C(F)(F)F)cc1Nc1ccc(CCO)cc1 2356167917 IVBOSKFDMGKSQA-UHFFFAOYSA-N 339.357 4.771 0 50 EJAA C[C@H]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c23)C1 302461 LVJLRIIHIKELQF-NSHDSACASA-N 341.505 4.691 0 50 EJAA C[C@H](CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 303240 GMXKIOFYCSUYLU-LLVKDONJSA-N 336.204 4.721 0 50 EJAA O=C(NCc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1 307049 YEEGECWQZVQRSA-UHFFFAOYSA-N 347.201 4.578 0 50 EJAA O=C(CCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 362705 HPALZGZHLFNVMM-UHFFFAOYSA-N 327.733 4.930 0 50 EJAA O=Cc1ccc(COc2ccc3cc(Br)ccc3c2)o1 373426 PAHMLEYFTPPIPW-UHFFFAOYSA-N 331.165 4.587 0 50 EJAA CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(F)cc1 451278 KELOIRLYJOUQJR-UHFFFAOYSA-N 341.411 4.549 0 50 EJAA Cc1ccc(Cl)cc1NC(=O)Cc1ccc(Br)cc1 456974 IUSOMAZCGBCCPS-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1 529782 CVPDNPWTJBHFSU-UHFFFAOYSA-N 339.848 4.628 0 50 EJAA CCCCOC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1801396 CJHSDEGGVVUWFK-UHFFFAOYSA-N 331.799 4.549 0 50 EJAA CCCOc1ccc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc1OC 2727184 DNUDNJGSZBXILE-INIZCTEOSA-N 339.435 4.575 0 50 EJAA CCCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 2910853 HGGVKBCLOQKVFT-UHFFFAOYSA-N 348.240 4.880 0 50 EJAA CCOCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 4808388 JOLPWVMUXIFPFN-UHFFFAOYSA-N 340.448 4.637 0 50 EJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc2ccc(F)cc2s1 5064260 RXTAKYBVOLKSMY-UHFFFAOYSA-N 344.455 4.980 0 50 EJAA Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1-c1ccncc1 794717223 KDKPTTBZXNQAGM-LEWJYISDSA-N 328.415 4.799 0 50 EJAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccco1 188969 WIXKQUJAAZMYGS-UHFFFAOYSA-N 338.750 4.994 0 50 EJAA CCOc1ccccc1C(=S)N1CCC(Cc2ccccc2)CC1 515503 JGYOWFOPMNBMPE-UHFFFAOYSA-N 339.504 4.716 0 50 EJAA CCCOc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 2997437 MQQRMZAGHRVJKY-UHFFFAOYSA-N 348.240 4.799 0 50 EJAA O=C(NCc1ccncc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 6615099 YYZNHLHKOSMFHU-UHFFFAOYSA-N 347.201 4.578 0 50 EJAA Cc1cc(F)ccc1CN1CC[C@@H](c2ccnc(-c3cccnc3)c2)C1 65407499 AUVHVPSRGIEXGK-HXUWFJFHSA-N 347.437 4.581 0 50 EJAA Cc1ccc(NC(C)C)cc1-c1ccccc1OC[C@@H]1CCOC1 665145032 XTRWSPJASUEGNA-QGZVFWFLSA-N 325.452 4.898 0 50 EJAA CCCN(Cc1cccc(Cl)c1)C(=O)c1c(C)[nH]c(C(C)=O)c1C 952967184 YZNUZIOJSMNBPP-UHFFFAOYSA-N 346.858 4.540 0 50 EJAA C[C@@H](Cc1ccccc1Cl)Nc1nncc2cc(Cl)ccc12 2325814957 BUCTZIKNMOKQFG-NSHDSACASA-N 332.234 4.980 0 50 EJAA CCN(CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 76010 ZBXHFTAFUQTTJP-UHFFFAOYSA-N 346.883 4.811 0 50 EJAA CCc1cc(C(=O)COc2ccc(-c3ccccc3)cc2)c(O)cc1O 308158 TUCIJRYGMPIFPE-UHFFFAOYSA-N 348.398 4.589 0 50 EJAA Cc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)oc2cc1C 848953 WDDYTBFDSBSKOU-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA Cc1cc(Cl)ccc1NC(=O)CSc1cccc2cccnc12 859623 DGSAQCYGZPYKJL-UHFFFAOYSA-N 342.851 4.927 0 50 EJAA CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)O)c2c[nH]c3ccccc23)cc1 3107842 XBFFWUXQRIRPCQ-KRWDZBQOSA-N 349.430 4.907 0 50 EJAA CCCCCOc1ccc(/C=C(/C(=O)O)c2ccccc2)cc1OC 4136942 ZMGMTCOCLHXFAP-NBVRZTHBSA-N 340.419 4.889 0 50 EJAA O=C(CCc1cccs1)Nc1cc(C(F)(F)F)ccc1Cl 4540248 FTYXMOUWPDUMEH-UHFFFAOYSA-N 333.762 4.992 0 50 EJAA C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 12380918 FGEKDDAHXLCDKZ-JTQLQIEISA-N 343.732 4.765 0 50 EJAA CCc1csc(Cn2cnc(-c3ccccc3)c2-c2ccco2)n1 65419736 URVBLXQVHIQZBK-UHFFFAOYSA-N 335.432 4.877 0 50 EJAA O=C(c1ccc2scnc2c1)N1CCCC[C@@H]1c1ccc(F)cc1 77470933 PENCWHPACRMAMQ-QGZVFWFLSA-N 340.423 4.803 0 50 EJAA Cc1nnc(-c2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)cc2)o1 96150785 BHUBJMAKFPHXLA-OAHLLOKOSA-N 333.435 4.869 0 50 EJAA O=C(O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)c1ccccc1 104327689 DKWBQLNOCXTUPX-UAFMIMERSA-N 338.447 4.877 0 50 EJAA COc1cc(Cl)cc2cc(C(=O)N3CC[C@H]3c3cccs3)oc12 215562081 FBZJJMKGABIVOP-LBPRGKRZSA-N 347.823 4.744 0 50 EJAA C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1772491619 NPBNRBWMDNZEBN-MKOVCXAOSA-N 346.511 4.647 0 50 EJAA Cc1ccccc1Oc1nc2ccccc2nc1N1CCC(C)CC1 1848442326 XMCMKLUBGFJSIM-UHFFFAOYSA-N 333.435 4.967 0 50 EJAA Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2c2ccccc21 244824 VRAVGONSKLKQHA-GOSISDBHSA-N 345.442 4.851 0 50 EJAA Clc1ccc2c(c1)sc[n+]2Cc1cccc(Br)c1 272691 ASCYZPLKFCJAIE-UHFFFAOYSA-N 339.665 4.653 0 50 EJAA Clc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1 516070 YNZFIDQDCMAKCF-UHFFFAOYSA-N 349.615 4.743 0 50 EJAA O=C(CSc1ccccc1)NC(c1ccccc1)c1ccccc1 860501 PQJWJJORGRGNJW-UHFFFAOYSA-N 333.456 4.685 0 50 EJAA Nc1nc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)ns1 1099716 IRYHHEKUUCURIC-CYBMUJFWSA-N 333.869 4.655 0 50 EJAA Cc1ccc([C@@]2(CCNCc3ccco3)CCO[C@H](C(C)C)C2)cc1 1867330 LWJUFUPLTBOXHQ-VXKWHMMOSA-N 341.495 4.841 0 50 EJAA biogenic CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C 2040955 ALEROMXYYSQFLX-UHFFFAOYSA-N 334.456 4.873 0 50 EJAA in-vitro O=C(CCSc1ccccc1)Nc1nc(-c2ccccc2)cs1 2877416 IOPWHJYLSFHLKH-UHFFFAOYSA-N 340.473 4.931 0 50 EJAA Clc1ccc(CSc2nnc(-c3ccccn3)o2)c(Cl)c1 4488125 OZOJLMHQLJBOJJ-UHFFFAOYSA-N 338.219 4.731 0 50 EJAA CCOc1ccccc1Nc1nc(-c2ccc(OC)cc2)cs1 4661292 YZZWPOVINIIIAW-UHFFFAOYSA-N 326.421 4.961 0 50 EJAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cccc(O)c2)[C@H]3CCC1 22078009 BUNIMTDBWYULEB-QFIPXVFZSA-N 346.474 4.939 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 33270598 LCZOKRHRPDQVAE-CQSZACIVSA-N 333.819 4.568 0 50 EJAA CC(C)(C)C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccnc1 223568871 ARBROZOSVQWWLI-KRWDZBQOSA-N 348.849 4.710 0 50 EJAA CCCSCc1nnc2sc(-c3oc4ccccc4c3C)nn12 1776110978 DOMQZCKKKFXLEK-UHFFFAOYSA-N 344.465 4.551 0 50 EJAA C[C@H](NC(=O)c1cccnc1S)c1ccccc1-c1ccccc1 2325720889 JPGAYGUDKGNRBE-AWEZNQCLSA-N 334.444 4.528 0 50 EJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1F 106554 RZWHHHRYLFLYFT-UHFFFAOYSA-N 342.197 4.929 0 50 EJAA O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccccc1F 235478 QVGXQDJYVQXPSV-UHFFFAOYSA-N 347.392 4.566 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12 400127 PPLNRTPNYCWODC-UHFFFAOYSA-N 336.778 4.932 0 50 EJAA CCOc1c(Cl)cc(C(=O)NCc2ccc(C)cc2)cc1Cl 463270 KJRBKXLNKFYWKO-UHFFFAOYSA-N 338.234 4.631 0 50 EJAA Cc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2nc1C 1428810 INILYVOWVYBUCH-UHFFFAOYSA-N 345.324 4.518 0 50 EJAA O=C(NCCSCc1c(F)cccc1Cl)Nc1ccccc1 2817264 BHJYAIKXIIXHJD-UHFFFAOYSA-N 338.835 4.534 0 50 EJAA CC(C)CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 10119486 MPSXSZPTKCKJPE-UHFFFAOYSA-N 336.391 4.670 0 50 EJAA O=C(Nc1cccc(Cl)c1)Nc1cccc(OC[C@H]2CCCO2)c1 10297260 IGLLDTGOOGHOML-QGZVFWFLSA-N 346.814 4.542 0 50 EJAA CCCc1nc(C(=O)NC2c3ccccc3-c3ccccc32)cs1 91997105 RTXYQHJAZCOQKJ-UHFFFAOYSA-N 334.444 4.595 0 50 EJAA O=C([C@@H]1CCCC(F)(F)C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 241173070 KFTXICLFHAGTRC-CRAIPNDOSA-N 346.421 5.047 0 50 EJAA CCCCC(=O)Nc1ccc(NC(=O)C2(C)CCCC2)cc1Cl 952868007 VVJCZXYRHHSTSP-UHFFFAOYSA-N 336.863 4.988 0 50 EJAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1cc2occc2s1 1875305131 HWTGBEAGUXUHKP-CTYIDZIISA-N 341.432 4.614 0 50 EJAA S=C(NCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 472412 TVSGDFITMSQBAN-UHFFFAOYSA-N 333.460 4.917 0 50 EJAA CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 1104119 JNDMYANIYCBLTQ-ZROIWOOFSA-N 333.796 4.656 0 50 EJAA COc1ccccc1Nc1nc(-c2ccccc2O)nc2ccccc12 13124863 XXDWHCBZRZWMFZ-UHFFFAOYSA-N 343.386 4.755 0 50 EJAA COc1cc(CNC2CCC(c3ccccc3)CC2)cc(OC)c1 23283439 HUVIGBSBKUINHE-UHFFFAOYSA-N 325.452 4.520 0 50 EJAA Cc1cc(C)n(C[C@@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 65409309 HGUUFPDEPSKCIQ-QGZVFWFLSA-N 346.434 4.885 0 50 EJAA CSc1ccccc1[C@](C)(O)[C@H](c1ccccc1)c1ccccn1 71767239 GVVIRGZGDVHMFR-RTWAWAEBSA-N 335.472 4.843 0 50 EJAA FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3ccncc3)C2)c1 71774986 UDBHGHCHSNJGCM-QGZVFWFLSA-N 348.412 4.945 0 50 EJAA Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1C 170623533 HEROVLSUZRABDQ-AAEUAGOBSA-N 326.387 4.639 0 50 EJAA Cc1cccn2cc(-c3ccc(N[C@H](C)c4ccncc4)cc3)nc12 182876580 QUYKUKQIGPQGDY-MRXNPFEDSA-N 328.419 4.878 0 50 EJAA CN1CCC[C@H](O[C@H]2c3ccccc3CSc3ccccc32)CC1 252490104 KJDWUCZKWFAWFB-UWJYYQICSA-N 339.504 4.883 0 50 EJAA CC(C)(C)[C@H](CCc1cccc(F)c1)N[C@@H]1C[C@H](N)c2ccccc21 1875344044 CJCCICWRMOKUOB-HBMCJLEFSA-N 340.486 4.907 0 50 EJAA c1cc(CN[C@H]2CCOCC23CCCCC3)cc(CC2CCC2)c1 2325841890 ITXOMGMQFHDPMH-NRFANRHFSA-N 327.512 4.858 0 50 EJAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1 198974 PXQFZJJATBETDB-JXFKEZNVSA-N 343.430 4.674 0 50 EJAA Cc1nc2ccc(NC(=S)NC(C)(C)CC(C)(C)C)cc2nc1C 445664 FZTUGFDLPGKXLG-UHFFFAOYSA-N 344.528 4.748 0 50 EJAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 464015 USSDUQRRNHDEKA-UHFFFAOYSA-N 338.451 4.975 0 50 EJAA O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(Cl)cc1 1173007 BZJYNYJWZBYIGZ-JYRVWZFOSA-N 335.837 4.638 0 50 EJAA Cc1ccc[n+](CCCCCCCCCC[n+]2cccc(C)c2)c1 1665659 FWOBPYUZXYLINY-UHFFFAOYSA-N 326.528 4.699 0 50 EJAA Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccccc3)n2)cc1 3110425 XGENNWJCOQVWER-UHFFFAOYSA-N 338.414 4.642 0 50 EJAA F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2 28968414 XNDCPFTULXRWQH-HNENSFHCSA-N 336.410 4.649 0 50 EJAA in-vitro O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccc(F)c1 36620898 QNAYKNQTTOYZDK-INIZCTEOSA-N 336.769 4.987 0 50 EJAA Fc1c(CN2CCCC2)cccc1Oc1ncccc1C(F)(F)F 67851643 SBNXSYKYRWFPPH-UHFFFAOYSA-N 340.320 4.628 0 50 EJAA CC(C)c1ccc2ncnc(N[C@@H](C)c3ccc4nc(O)[nH]c4c3)c2c1 1162177073 PZPFPVPXZTXEQX-LBPRGKRZSA-N 347.422 4.508 0 50 EJAA CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O 125868 HHGLCIVVJISXCA-UHFFFAOYSA-N 346.473 4.736 0 50 EJAA CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 150809 ZSAQXEKXWDNWKD-CQSZACIVSA-N 331.843 4.925 0 50 EJAA Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)no2)c1 21790961 YVLSQUXWMHLIKH-IBGZPJMESA-N 332.403 4.627 0 50 EJAA Brc1csc(CN2CCc3c([nH]c4ccccc34)C2)c1 22779656 JWSNBPCIWTUCPS-UHFFFAOYSA-N 347.281 4.550 0 50 EJAA O=C(c1cccc(F)c1F)N1CCC[C@H](CCc2ccc(F)cc2)C1 71763101 KVMBHFXISRSQEQ-OAHLLOKOSA-N 347.380 4.589 0 50 EJAA O=C1[C@@H](c2ccccc2)c2ccccc2N1Nc1ccc(Cl)cc1 100347071 RKYSHDDNTKSXQU-IBGZPJMESA-N 334.806 4.846 0 50 EJAA CC(C)c1noc([C@@H](C)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 195528965 NRRWEHNEJWEKSD-OXQOHEQNSA-N 347.462 4.902 0 50 EJAA CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](C(C)C)O2 216147648 NXTMWQFQILLCDW-PZJWPPBQSA-N 336.435 4.611 0 50 EJAA CC(C)c1cc([C@@H]2CCCN2Cc2cncn2C2CCCCC2)no1 244584336 CXMFVFXMQKAYMR-IBGZPJMESA-N 342.487 4.837 0 50 EJAA c1ccc(-c2ncc(COc3ccc4c(c3)OCCCO4)s2)cc1 1252915012 BYWYOIVLXAXFMI-UHFFFAOYSA-N 339.416 4.550 0 50 EJAA CC(C)(CN[C@H]1CCCc2cccnc21)c1coc(-c2ccccc2)n1 2325773933 AYOXSQMXIMYFKO-SFHVURJKSA-N 347.462 4.681 0 50 EJAA COc1cc(C)c(CNc2ccc(Br)c(C)c2)cc1C 435785 LRRBHGTWDWAIJN-UHFFFAOYSA-N 334.257 4.995 0 50 EJAA Cc1c(C)c2ccc(OCc3ccc(F)cc3Cl)cc2oc1=O 459072 LTCYYYJUAUVWTR-UHFFFAOYSA-N 332.758 4.781 0 50 EJAA COc1cc(C=O)ccc1OCCCOc1cccc2ccccc12 2983816 GYYKCPLADGKRCO-UHFFFAOYSA-N 336.387 4.509 0 50 EJAA CC(C)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 3684237 VKBFCXCSLDNQRM-UHFFFAOYSA-N 328.887 4.786 0 50 EJAA Cc1oc(-c2cccc3ccccc23)nc1CN(C)[C@@H](C)c1ccon1 12717673 NAFSXYXQLFOTKH-AWEZNQCLSA-N 347.418 4.984 0 50 EJAA O=S(=O)(c1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 39247182 UXBRMSHTEPIPIZ-ATKRNPRHSA-N 346.451 4.510 0 50 EJAA CSc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)cc1 71639012 AGYNQXLUMLJYTM-UHFFFAOYSA-N 338.423 4.603 0 50 EJAA CCCc1cc(O)nc(/C(=C/c2ncc(C(F)(F)F)s2)CC)n1 279451086 LRRYQSQUMHFZSJ-RMKNXTFCSA-N 343.374 4.561 0 50 EJAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1F 808005047 JRULKGKWCGFZCS-UHFFFAOYSA-N 349.390 4.750 0 50 EJAA CC(C)c1nc(CN(C)Cc2cc(C3CCCCC3)no2)cs1 1506397885 YTGPWACSRFOOBM-UHFFFAOYSA-N 333.501 4.934 0 50 EJAA CCc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1 116536 LGORELYOSJJFKT-UHFFFAOYSA-N 331.415 4.934 0 50 EJAA Cc1c(Cl)cccc1NC(=O)COc1cc(Cl)ccc1Cl 130380 YPKJGURMZLQTGW-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 260360 JVMLYGNHRGLHDJ-UHFFFAOYSA-N 338.432 4.688 0 50 EJAA CCc1cc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)cc1OC 458980 TYQBFLLOBRFORS-UHFFFAOYSA-N 342.370 4.593 0 50 EJAA COc1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 459639 VKXBVMGKYBJYOJ-UHFFFAOYSA-N 328.799 4.957 0 50 EJAA O=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 2496616 QUVSDQMSXPVLJB-FCHUYYIVSA-N 327.427 4.885 0 50 EJAA C[C@@H]1CC(C)(C)N(C(=S)Nc2ccccc2)N1c1ccccc1 4011667 XQVIBMGKKZSFPC-OAHLLOKOSA-N 325.481 4.678 0 50 EJAA CC(C)(C)c1ccc(NC[C@@](C)(O)COc2ccc(Cl)cc2)cc1 4054636 BEPCCEDJGNCXHZ-HXUWFJFHSA-N 347.886 4.879 0 50 EJAA Cc1cc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)cc(C)c1Cl 5924854 PPBDFZXKCALXBB-OAHLLOKOSA-N 341.923 4.501 0 50 EJAA CC[C@@H](C)Nc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 7636199 NQNHFKMPWRHYTD-LLVKDONJSA-N 348.372 4.934 0 50 EJAA Cc1ccc(/C=C/C(=O)Nc2ccc(-c3cncnc3)cc2)cc1Cl 2325732878 XPRWSJOZGDHKCL-RUDMXATFSA-N 349.821 4.757 0 50 EJAA CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)c1 457984 SVWNUPTUQQVZCJ-UHFFFAOYSA-N 337.206 4.513 0 50 EJAA O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1Cl 464353 FAIYCPIBCTYLTG-UHFFFAOYSA-N 340.835 4.814 0 50 EJAA Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCCC2 2558514 YDQDOBHYNADTPF-UHFFFAOYSA-N 334.872 4.895 0 50 EJAA Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 6913819 RENCUPQIPLETEZ-UHFFFAOYSA-N 333.819 4.567 0 50 EJAA CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 9259123 VXITUESWUVZISN-UHFFFAOYSA-N 345.830 4.969 0 50 EJAA CC(C)N(CC[C@@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C 13905196 DUXZAXCGJSBGDW-FQEVSTJZSA-N 341.495 4.525 0 50 EJAA in-vitro C[C@@H](c1ccccc1)N(C(=O)[C@@H]1CCC(=O)C[C@H]1C)C1CCCC1 328595357 SEDNSHWZWNUFOC-GQIGUUNPSA-N 327.468 4.524 0 50 EJAA FC(F)(F)c1cc(NCC[C@H]2CCCCN2)cc(C(F)(F)F)c1 68073 UMLGDRGOZSHCMY-GFCCVEGCSA-N 340.311 4.668 0 50 EJAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 303013 YBDFAOFLQHRXFN-UHFFFAOYSA-N 330.815 4.639 0 50 EJAA COc1ccc(OC(=O)Nc2ccc(Cl)cc2OC)c(Cl)c1 397741 CQIOZZRWHHMSMA-UHFFFAOYSA-N 342.178 4.622 0 50 EJAA C[C@H]1CCc2c(sc3nc(-c4ccccc4Cl)oc(=O)c23)C1 453365 FVTOJLCKLLWKLY-VIFPVBQESA-N 331.824 4.695 0 50 EJAA Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)O)c2c1 4227678 NSINEIFLWDUHLP-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA Cc1ccc(F)cc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 20350852 PBWOVNMSSGKYMM-UHFFFAOYSA-N 344.393 4.503 0 50 EJAA CCOc1ccc(CN(Cc2csc(C(C)=O)c2)C2CC2)cc1 55575907 CGGNWRIDSRZDTJ-UHFFFAOYSA-N 329.465 4.514 0 50 EJAA CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC)c1cccc(F)c1 188461659 JDQVEGNYXMLJAD-GOSISDBHSA-N 326.415 4.688 0 50 EJAA COc1ccc(CNc2ccnc3cc(Br)ccc23)cc1 242750297 ZKNLTOUJRWSDFE-UHFFFAOYSA-N 343.224 4.618 0 50 EJAA CCC[C@H](C(=O)Nc1cc(C(C)C)c(O)cc1C)c1ccccn1 253407981 QWEQBOVFNDIRCY-HNNXBMFYSA-N 326.440 4.741 0 50 EJAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1 1875296608 GBQZHSCJYYQWBE-UHFFFAOYSA-N 345.851 4.911 0 50 EJAA C[C@H](NCCc1ccc2[nH]ccc2c1)c1ccccc1Br 1875341443 UAALPQIYFXGQMS-ZDUSSCGKSA-N 343.268 4.824 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](CC(C)C)c1ccc(F)cc1 2325842010 LVCFLXFTZMSQGB-GCJKJVERSA-N 343.486 4.662 0 50 EJAA Cc1ccccc1-c1cc(=O)oc(-c2ccc(Cl)cc2Cl)n1 456837 KZBANUNUNDRFDA-UHFFFAOYSA-N 332.186 4.984 0 50 EJAA CC1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 528240 PQBVQXOFBMXUFQ-UHFFFAOYSA-N 334.419 4.921 0 50 EJAA Clc1cc(Cl)c(Cl)c(I)c1Cl 2169169 OUOGYOBZKZJEQN-UHFFFAOYSA-N 341.790 4.905 0 50 EJAA Cc1c(C=O)[nH]c([C@H]2CCC[C@@H](c3[nH]c(C=O)c(C)c3C)C2)c1C 2519495 KDNCCTGOYLFGDC-IYBDPMFKSA-N 326.440 4.643 0 50 EJAA CCc1cn[nH]c1C1CCN(Cc2cc3ccccc3s2)CC1 19938824 QAJDTLDTGSJGHB-UHFFFAOYSA-N 325.481 4.566 0 50 EJAA Oc1cc(CC[C@H]2CCCCN2)cc(-c2cccc3cccnc23)c1 72150962 XHCDZLPSBKKWAG-LJQANCHMSA-N 332.447 4.682 0 50 EJAA COCCC[C@H]1CCCN(C(=O)Nc2c(C)ccc3ccccc23)C1 95519816 ZNJYRUPLASNDKE-QGZVFWFLSA-N 340.467 4.819 0 50 EJAA C[C@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 101800166 LEQQCEPSIRJURM-CYDGBPFRSA-N 342.430 4.817 0 50 EJAA CCCN(C(=O)c1cc2ccc(C)cc2[nH]1)[C@H]1CCCc2cccnc21 170598916 KRUIPFOTDISQPM-FQEVSTJZSA-N 347.462 4.801 0 50 EJAA Cc1ccccc1-c1ccccc1C(=O)N(C)[C@@H](C)c1ccncc1 215840954 IMPMLQJBBRORNE-KRWDZBQOSA-N 330.431 4.890 0 50 EJAA Clc1cncc(N2CCC[C@H]2c2nc(C3CCCCC3)co2)n1 366012382 UGVHOOJYUPMVQN-AWEZNQCLSA-N 332.835 4.507 0 50 EJAA CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc3ncsc3c2)c1 481280889 IZMSDZGJOYJISM-ZDUSSCGKSA-N 340.448 4.575 0 50 EJAA COc1ccc2c(OCc3ccc(F)c4cccnc34)ccnc2c1 1875260458 VBLZEZVGSZTYRD-UHFFFAOYSA-N 334.350 4.510 0 50 EJAA C[C@@H](CCc1cncc2ccccc12)Nc1ccc(N2CCCC2)nc1 1875342005 SSPYLKVKDBSLJV-KRWDZBQOSA-N 346.478 4.663 0 50 EJAA Cc1ccccc1-n1nc(-c2cccnc2)nc1[C@@H]1CC[C@H]2C[C@H]2CC1 1875349443 XETXQZTZHVWRTK-BCDXTJNWSA-N 344.462 4.931 0 50 EJAA O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCCc2ccccc2C1 2356169044 JUBMNBDCWNLUJE-UHFFFAOYSA-N 343.426 4.648 0 50 EJAA Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2s1 55164 CNULANXYAJNNBJ-UHFFFAOYSA-N 328.462 4.644 0 50 EJAA COc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 2936220 AOXLCAKTXFYVIK-UHFFFAOYSA-N 347.370 4.612 0 50 EJAA Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1NC(=O)C(C)C 6746203 BJAKFNVDPXFYBY-UHFFFAOYSA-N 345.830 4.887 0 50 EJAA CC(C)(C)C(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 12381330 BJYRVIURVSKVQI-UHFFFAOYSA-N 345.830 4.969 0 50 EJAA CC(=O)Nc1ccc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)cc1 182189588 PKDMKXVEOZTLDB-GFCCVEGCSA-N 335.407 4.837 0 50 EJAA FC(F)(F)c1cc(NCC[C@@H]2CCCCN2)cc(C(F)(F)F)c1 68075 UMLGDRGOZSHCMY-LBPRGKRZSA-N 340.311 4.668 0 50 EJAA O=C(O)c1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1 98572 RSVXIAMPUXUVBC-UHFFFAOYSA-N 347.399 4.800 0 50 EJAA CCN(CC)CCSc1nc2ccccc2n1Cc1ccccc1 191606 QUJNKGCDRGOWDG-UHFFFAOYSA-N 339.508 4.519 0 50 EJAA CC(=O)Oc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 302935 YVTJSYILFMDIJI-UHFFFAOYSA-N 347.370 4.657 0 50 EJAA O=c1oc(-c2ccc(Cl)cc2Cl)nc2cc(Cl)ccc12 410284 XFWCTWKNBAKJOG-UHFFFAOYSA-N 326.566 4.815 0 50 EJAA O=C(Nc1cccc(F)c1)c1cc(-c2ccccn2)nc2ccccc12 1068323 KQCLHSCHVLIYRG-UHFFFAOYSA-N 343.361 4.688 0 50 EJAA CC(=O)c1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 1075184 ILLSRLIOBHYOTH-UHFFFAOYSA-N 330.383 4.699 0 50 EJAA Nc1ncc2c(n1)-c1ccccc1[C@@H](c1ccc(Cl)c(Cl)c1)C2 1386312 SQMXGNUOHXNMKE-CQSZACIVSA-N 342.229 4.721 0 50 EJAA Cc1cccc(CSCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 4363636 YPBGWOIYLVRDGO-UHFFFAOYSA-N 341.520 4.956 0 50 EJAA Cc1ccccc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 12138323 WGSZJFNIFIVAKQ-UHFFFAOYSA-N 344.414 4.524 0 50 EJAA CCc1ccc([C@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1 13327784 VKIIBSNUJYEVKI-AWEZNQCLSA-N 334.419 4.703 0 50 EJAA Cc1ccc2[nH]c(C)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(=O)c2c1 138741464 ZVQPHRCZKRHKQI-ZHRRBRCNSA-N 338.495 4.546 0 50 EJAA biogenic CCOC[C@H]1CCCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 302028421 REKJNSYZKXJEEU-LBPRGKRZSA-N 339.266 4.795 0 50 EJAA Clc1ccc2nc([C@H]3CCCN3c3nc4ccccc4o3)[nH]c2c1 428694982 UPQNFXLOSQLGRQ-OAHLLOKOSA-N 338.798 4.699 0 50 EJAA CC1(C)Cc2cc(C(=O)Nc3conc3-c3ccccc3)sc2C1 1875408339 TYSMOLSPDUHPTE-UHFFFAOYSA-N 338.432 4.780 0 50 EJAA CCC1CCC([C@@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 2325841077 CCPNUTZQBHGWDA-IVXJCAOYSA-N 329.528 4.622 0 50 EJAA COc1ccc(-c2ccccc2)cc1NCc1ccc(OC)c(OC)c1 280282 LYYSLSFJEMCHDP-UHFFFAOYSA-N 349.430 4.992 0 50 EJAA COc1ccccc1OCc1ccc(C(=O)OCc2ccccc2)cc1 482382 MAFUHHZGLRMXJT-UHFFFAOYSA-N 348.398 4.631 0 50 EJAA CCOc1ccccc1NC(=O)Nc1ccc(C)cc1OC(F)F 611086 HSUKACSWYQWTAY-UHFFFAOYSA-N 336.338 4.639 0 50 EJAA O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1F 619977 UEHCQPJHJCVKRP-UHFFFAOYSA-N 329.371 4.849 0 50 EJAA O=C(NCCC1=CCCCC1)c1cc(Br)ccc1Cl 621197 HSURRYNOCBTHHA-UHFFFAOYSA-N 342.664 4.723 0 50 EJAA C[C@H](NC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2)c1ccncc1 2749588 OJKKOMHCXGITHT-DZGCQCFKSA-N 342.508 4.785 0 50 EJAA Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 4542135 SPVTZECUMYLGRA-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA CC(=O)CCc1ccc(OCCCOc2cccc3cccnc23)cc1 4868421 WOTGOZLZWXRNTP-UHFFFAOYSA-N 349.430 4.604 0 50 EJAA O=c1[nH]c(SCc2c(Cl)cccc2Cl)nc2ccccc12 18083194 BSQBPNNVNUWWKY-UHFFFAOYSA-N 337.231 4.522 0 50 EJAA Cc1cccc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)n1 65525970 JMXYBKJYDFGHTB-UHFFFAOYSA-N 340.430 4.558 0 50 EJAA Cc1nnc([C@H](C)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)o1 230141424 WJNPRXMYDZXCND-QWQRMKEZSA-N 329.444 4.646 0 50 EJAA CC[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccc(C)cn1 299778821 HSHQGSPPOCOHOK-KRWDZBQOSA-N 330.859 4.634 0 50 EJAA Cc1cc([C@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)no1 1506420942 FAHSPRMOTWYSBV-GOSISDBHSA-N 339.464 4.752 0 50 EJAA Cc1ncccc1-c1csc([C@@H]2CCN(Cc3ccccc3)C2)n1 2325761698 LCEFYZDTOYENOT-QGZVFWFLSA-N 335.476 4.503 0 50 EJAA Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)c(C)c2)cc1C 143604 OGUDQAGKEYJXFK-UHFFFAOYSA-N 338.451 4.668 0 50 EJAA CCOc1ccccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 303122 PZAVABVJCBRXHW-UHFFFAOYSA-N 340.206 4.653 0 50 EJAA O=C(Cc1cccs1)Nc1ccc2nc(-c3ccccc3)oc2c1 367901 FYMRCKXAYWHKGU-UHFFFAOYSA-N 334.400 4.738 0 50 EJAA COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CCC1 476382 FAULPLUQSFDPEJ-UHFFFAOYSA-N 349.839 4.594 0 50 EJAA Oc1ccccc1-c1cc(C(F)(F)C(F)F)nn1-c1ccccc1 1122595 SVVNXFBJVPDRDP-UHFFFAOYSA-N 336.288 4.602 0 50 EJAA Cc1nn2c(N3CCCCC3)cc(C(C)C)nc2c1-c1ccccc1 2205455 DANKBHNJXNIMBV-UHFFFAOYSA-N 334.467 4.818 0 50 EJAA Cc1ccc(CN(Cc2ccco2)C(=S)Nc2ccccc2)cc1 2882319 DJIJDBDNZVDOJE-UHFFFAOYSA-N 336.460 4.987 0 50 EJAA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 6067490 UWBICEKKOYXZRG-XQAJHESWSA-N 342.479 4.594 0 50 EJAA CN(CCCSc1ccccc1)Cc1ccc(C(F)(F)F)nc1 55393235 GXJSUVHDLHESJT-UHFFFAOYSA-N 340.414 4.715 0 50 EJAA CC(C)C[C@H](O)C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 95519071 CAIXMKAWAQBHAE-SFHVURJKSA-N 332.875 4.512 0 50 EJAA COc1ccccc1-c1ccc(C(=O)N[C@H](C)c2ccc(C)cn2)cc1 220486712 ZYMNYWKLNXRPDZ-MRXNPFEDSA-N 346.430 4.557 0 50 EJAA CC(C)n1ccc2ccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)cc21 223223500 ULWPZCHWXJZVFJ-CQSZACIVSA-N 346.434 4.590 0 50 EJAA Cc1cnn(C2CCCC2)c1NC(=O)[C@H](C)c1ccc(Cl)cc1 1529151915 HEEQYVSYNJQKCZ-CYBMUJFWSA-N 331.847 4.702 0 50 EJAA O=c1c2cc(-c3ccccc3)sc2ncn1CCCc1ccccc1 132472 PSEOBJPEBJQLJE-UHFFFAOYSA-N 346.455 4.758 0 50 EJAA S=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 609735 GFRPRAXGEUBIEC-UHFFFAOYSA-N 348.427 4.891 0 50 EJAA Cc1cc(=O)oc2c(C)c(OCc3c(F)cccc3Cl)ccc12 616554 ODDCXDIIXGNDLR-UHFFFAOYSA-N 332.758 4.781 0 50 EJAA C[C@H](C(=O)OCc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 1396651 KAMVZPJAIUQSHQ-JTQLQIEISA-N 343.732 4.601 0 50 EJAA CCC(CC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 2961491 OSLSOKIKXASWMF-UHFFFAOYSA-N 325.437 4.733 0 50 EJAA O=C(Nc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 3127975 DGKLPJSPVJYNKY-ORFBVSJDSA-N 325.411 4.922 0 50 EJAA COc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)c2ccco2)cc1 4318613 DDXXSYMMCKOUIG-SFHVURJKSA-N 339.366 4.588 0 50 EJAA CCCCCc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72432037 FMDLINMTPSCEEK-UHFFFAOYSA-N 343.902 4.532 0 50 EJAA COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253499625 LLKUOQXUUFDONQ-VOSWSFSHSA-N 334.500 4.587 0 50 EJAA biogenic COc1cc(-c2cccc([C@@H](C)N3CCCC3)c2)cc(OC)c1OC 534583221 DKIGCUMCXZZRSN-OAHLLOKOSA-N 341.451 4.536 0 50 EJAA Cc1ncc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)s1 679002835 SVMPIVAMZOMZRI-ZDUSSCGKSA-N 334.448 4.939 0 50 EJAA CCOc1ccccc1[C@H](CC)NC[C@H](O)c1ccc(Cl)cc1 775089049 YTHWBYGXVITNHS-ROUUACIJSA-N 333.859 4.513 0 50 EJAA Cc1ccc(-c2nccn2[C@H](C)CCCC(C)(C)O)c2cccnc12 1857705855 YSVYFHBUJWRLPM-MRXNPFEDSA-N 337.467 4.909 0 50 EJAA O=C(/C=C/c1cccc(-c2ccccc2)c1)OCCc1cccnc1 2325721738 UYIXFPXFKCALNR-VAWYXSNFSA-N 329.399 4.548 0 50 EJAA COC(=O)c1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1 277148 WHZKRWHWSZIEFS-UHFFFAOYSA-N 347.414 4.761 0 50 EJAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCO1 315055 MWUQJNWOZSVCLP-NZQKXSOJSA-N 349.474 4.687 0 50 EJAA O=C(Nc1ccccc1)N(C1=NCCCCS1)c1ccccc1 336320 GDFHIKDWYBDGOJ-UHFFFAOYSA-N 325.437 4.608 0 50 EJAA COc1cccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 465203 IMGBUGPDHGGJKK-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA O=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl 528894 QRJSGOWRBQNHBU-UHFFFAOYSA-N 337.231 4.533 0 50 EJAA CCOc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1OCC 618390 RNDGYIILNQXRQT-UHFFFAOYSA-N 339.435 4.615 0 50 EJAA CCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 2055952 IMYRQEAFINPPLO-UHFFFAOYSA-N 344.267 4.564 0 50 EJAA Cc1cc(Br)ccc1OCCCCN1CCC(C)CC1 3003492 VKEYFEWCJZVRRA-UHFFFAOYSA-N 340.305 4.648 0 50 EJAA CCCC(=O)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 4008106 MEPYCFLDZVYGIM-UHFFFAOYSA-N 331.419 4.668 0 50 EJAA biogenic Cc1ccc(-c2csc(SCC(=O)NC3CCCCC3)n2)cc1 4816055 RZGVQJFSEOKRIL-UHFFFAOYSA-N 346.521 4.660 0 50 EJAA Cc1ccccc1-c1cn[nH]c1[C@H]1CCCN(Cc2ccsc2)C1 19229264 HOALIXAEBHDZBJ-KRWDZBQOSA-N 337.492 4.826 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1 36620882 JTWSJHWRKFUVLM-GOSISDBHSA-N 328.387 4.593 0 50 EJAA COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)O[C@@H]1CCCC[C@@H]21 169678483 YCLLGORVUPSCES-RRMPHLOHSA-N 342.410 4.989 0 50 EJAA CC[C@@H](c1nc(-c2ccc(N3CCCCC3)cc2)no1)N(CC)CC 170606784 PLIUMSYUMWDKLM-SFHVURJKSA-N 342.487 4.520 0 50 EJAA C[C@H](c1ccccc1)n1cccc1C(=O)Nc1ncc(C2CC2)s1 2325871388 JTSBSXZVHCIHLI-CYBMUJFWSA-N 337.448 4.684 0 50 EJAA Cc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 366308 OYLJOPNFRSOQHR-SNVBAGLBSA-N 342.197 4.847 0 50 EJAA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1 445178 SRJFWTCFEHCHBX-JLHYYAGUSA-N 339.803 4.899 0 50 EJAA O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(Cl)c1 474296 OUHVNCKHCTXFJL-UHFFFAOYSA-N 329.758 4.650 0 50 EJAA COc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 813383 YJSYKAYVGIFPQQ-UHFFFAOYSA-N 339.420 4.521 0 50 EJAA CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 1077164 DYRCVZOHLWEVRH-QGZVFWFLSA-N 333.218 4.691 0 50 EJAA CCOC(=O)c1c(-c2ccc(Br)cc2)cn2ccccc12 3883735 KUSFLFNCMBHEDY-UHFFFAOYSA-N 344.208 4.546 0 50 EJAA Cc1c(C(=O)NCc2ccc(Cl)cc2Cl)oc2ccccc12 5443412 ZUNYKRYQKCNQOY-UHFFFAOYSA-N 334.202 4.978 0 50 EJAA Cc1ccc(S(=O)(=O)Cc2ccc(-c3ccccc3Cl)o2)cc1 6426881 PZFNPAIBVSNMFM-UHFFFAOYSA-N 346.835 4.882 0 50 EJAA Cc1ccccc1-c1cn[nH]c1C1CCN(C[C@@H]2CC=CCC2)CC1 11912187 WHYRMLCSKINLCF-GOSISDBHSA-N 335.495 4.921 0 50 EJAA Clc1ccc([C@H](c2ccccc2)n2ccnc2-c2c[nH]cn2)cc1 71721634 NZXWXCUPHHNLFB-SFHVURJKSA-N 334.810 4.564 0 50 EJAA Cc1cccc(-c2nc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)c(C)o2)c1 102161541 AAEUVOQEFULXCX-NXWIVVFCSA-N 336.479 4.969 0 50 EJAA Cc1ccc(N[C@@H](C)c2cn3ccccc3n2)cc1Br 225411115 GFYFGXKZLJZVLF-LBPRGKRZSA-N 330.229 4.578 0 50 EJAA CC(C)C1CCC([C@](C)(O)CNCc2csc(Cl)c2)CC1 2325842036 MWULTHHIHBQNTJ-VMBOVVBDSA-N 329.937 4.705 0 50 EJAA Cc1ccc2[nH]c(SCC(=O)Nc3cccc(Cl)c3C)nc2c1 97942 DDJOWMRBXMMJQT-UHFFFAOYSA-N 345.855 4.564 0 50 EJAA O=C(Nc1ccc(F)cc1F)C1c2ccccc2Oc2ccccc21 182637 WUKRPIJGFNEUGB-UHFFFAOYSA-N 337.325 4.841 0 50 EJAA O=C(Nc1cc(Cl)ccc1O)C(c1ccccc1)c1ccccc1 313340 XBAOBWXDXRQZLC-UHFFFAOYSA-N 337.806 4.816 0 50 EJAA Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1Br 482476 KHIOBQJJUJKMJU-UHFFFAOYSA-N 341.208 4.558 0 50 EJAA CCOc1ccc2cc([C@H](NC(N)=O)C3CCCCC3)ccc2c1 532505 CFEIUVPFPXEVTR-LJQANCHMSA-N 326.440 4.528 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)NC3CCCC3)cc2)cc1 582132 IBOUXDFJYYHMCE-UHFFFAOYSA-N 325.477 4.960 0 50 EJAA CCCSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 3668504 KIBRQLXISPHVRI-UHFFFAOYSA-N 334.448 4.530 0 50 EJAA O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccccc1 5875097 ZVZWEMCVNWEQJK-OUKQBFOZSA-N 330.412 4.618 0 50 EJAA O=c1[nH]c(-c2ccc(-c3ccccc3)o2)nc2sc3c(c12)CCCC3 8553780 TVTUJYIKYNZETG-UHFFFAOYSA-N 348.427 4.790 0 50 EJAA C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccncc1 12383955 WWOCZJVVEUTKBN-SECBINFHSA-N 334.803 4.580 0 50 EJAA Cc1ccccc1-c1nc(CN(C)[C@@H](C)c2nccs2)c(C)o1 12470659 ACNXYSWFROXMEH-ZDUSSCGKSA-N 327.453 4.608 0 50 EJAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)cc1 36619695 WBSWUBYJAZPGFD-GOSISDBHSA-N 328.387 4.512 0 50 EJAA c1cncc(CN(Cc2ccsc2)Cc2cccc3cnccc23)c1 55284005 WHLLEPUSBPHTCL-UHFFFAOYSA-N 345.471 4.894 0 50 EJAA c1ccc(-c2ncn(CCCOc3cccnc3)c2-c2ccco2)cc1 65385791 MVOBVYYYSVQSQV-UHFFFAOYSA-N 345.402 4.674 0 50 EJAA CCCc1cc2c(cc1OC)[C@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1CC2 71770679 YWUKWMSDEZJCQR-BVSLBCMMSA-N 344.495 4.831 0 50 EJAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c(C)c2c1 216203092 PVZAGNCXWDYHTK-OAQYLSRUSA-N 347.462 4.711 0 50 EJAA O=C(c1cc(Cl)nc(Cl)c1)N1CCCC[C@@H]1c1ccccc1 225601990 NNDXBTKREJXTPI-CQSZACIVSA-N 335.234 4.756 0 50 EJAA CCOc1ccccc1-c1nc(-c2c(C)[nH]c3ccccc23)cs1 241720873 QSXXFFKHVMPVRL-UHFFFAOYSA-N 334.444 5.666 0 50 EJAA c1ccc(-c2nc(CN3CC4(CCC4)c4ccccc43)cs2)nc1 483643732 OORFOEXKQWFABS-UHFFFAOYSA-N 333.460 4.647 0 50 EJAA c1cc(CNc2cccc3ccccc23)cc(OCCn2ccnc2)c1 2325726755 ADMZMNOHLCCOFV-UHFFFAOYSA-N 343.430 4.727 0 50 EJAA Cc1ccc(-c2ccc(/C=C3\N=C(c4cccc(F)c4)OC3=O)o2)cc1 2325809551 IQKKEOAHPUYJNT-PDGQHHTCSA-N 347.345 4.739 0 50 EJAA O=C(Nc1ccccc1)Nc1ccc(Br)c(Cl)c1 46411 RPQAFSUOQKXFMS-UHFFFAOYSA-N 325.593 4.747 0 50 EJAA O=C(Nc1ccc(-c2ccccc2)cc1)c1cc2ccccc2oc1=O 187294 CUOCEWDCAYRACC-UHFFFAOYSA-N 341.366 4.712 0 50 EJAA CC(=O)c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 204986 MYGSHQUKVSDWCB-UHFFFAOYSA-N 343.382 4.766 0 50 EJAA Cc1ccccc1Nc1nc(-c2c(C)nc3sccn23)cs1 209876 QVAAOUCFDMZHNM-UHFFFAOYSA-N 326.450 4.880 0 50 EJAA COc1ccc(CNCC[C@H](c2ccc(C)cc2)c2ccco2)cc1 2117755 PRZCURDAEIBKLV-OAQYLSRUSA-N 335.447 4.908 0 50 EJAA aggregator C[C@H]1CCCCN1C(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541853 UGTKXERFWCSHEX-AWEZNQCLSA-N 331.843 4.934 0 50 EJAA O=C(NC1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 4810968 RPVOWRMFVHCVHR-UHFFFAOYSA-N 343.854 4.982 0 50 EJAA CC(=O)N(c1ccc(Br)cc1)C1C2CC3CC(C2)CC1C3 4989995 LYEJHQCPCMLCKG-UHFFFAOYSA-N 348.284 4.627 0 50 EJAA COc1cccc([C@@H]2CCN2Cc2c[nH]nc2-c2ccc(C)c(C)c2)c1 72409445 IKJVEXWJHOFMAX-NRFANRHFSA-N 347.462 4.649 0 50 EJAA COC(=O)c1ccc(F)c(-c2cccc(OCc3ccccc3)c2)c1 95495651 CRDZIVNDFFSPQW-UHFFFAOYSA-N 336.362 4.858 0 50 EJAA COc1ccc(Cl)c(NC(=O)c2csc(-c3ccc(C)o3)n2)c1 121166010 VFLOUYCJRJTFBQ-UHFFFAOYSA-N 348.811 4.626 0 50 EJAA O=C(Nc1ccc2sncc2c1)N1CCC[C@@H]1c1cccc(F)c1 194221470 FRDWAWPABTXKNT-MRXNPFEDSA-N 341.411 4.804 0 50 EJAA Cc1ccc(CN(C(=O)c2cc(F)c(F)cc2Cl)C2CC2)s1 952974428 VVJCYLGDCKCCDN-UHFFFAOYSA-N 341.810 4.793 0 50 EJAA C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1cnc2ccccc2c1 2325789941 XUFULMDGTXXFFJ-OAHLLOKOSA-N 335.451 4.658 0 50 EJAA CCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 94868 QMYPMOXLBOFXRG-UHFFFAOYSA-N 340.206 4.653 0 50 EJAA COc1ccc(Br)cc1CNc1ccc2c(c1)CCC2 280270 IQBDKYFYIGTNQB-UHFFFAOYSA-N 332.241 4.559 0 50 EJAA Cc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1 375885 MQFQRMHMBCVPPL-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA CCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)C)n1 498554 IIISNWRYNYSOSC-UHFFFAOYSA-N 343.814 4.974 0 50 EJAA O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 1016481 MMINBKMQQKYAAE-JOCHJYFZSA-N 341.454 4.835 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)c2ccccc2)c1 1164260 IEGOXQQBZWGMSY-UHFFFAOYSA-N 349.817 4.752 0 50 EJAA CCCCc1ccccc1OCC(=O)N(c1ccccc1)C(C)C 3131320 XUFAWTXXXLMWRC-UHFFFAOYSA-N 325.452 4.850 0 50 EJAA COC(=O)c1ccc2nc(-c3ccc(C4CCCCC4)cc3)cn2c1 4002956 JPRJISIWZBJFLC-UHFFFAOYSA-N 334.419 4.836 0 50 EJAA CC(C)(C)c1cn2c3ccccc3nc2n1CCNC1CCCCC1 4855359 CTBRYTHTGPPXSH-UHFFFAOYSA-N 338.499 4.509 0 50 EJAA COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 5670614 LLWSLPLDHNDQAO-GHTZIAJQSA-N 346.386 4.531 0 50 EJAA O=C(O)c1cccc(-c2ccc(CNCCC3=CCCCC3)o2)c1 13724054 ZACVTDOHMJIUOI-UHFFFAOYSA-N 325.408 4.625 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 33674565 CGMZETDGTMDEAD-VYHMOFMVSA-N 332.528 4.841 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1c(C)c2ccccc2n1C 215470136 CJUHNNQOVAINKH-IBGZPJMESA-N 349.478 4.885 0 50 EJAA CCCN(C(=O)C1=CCOCC1)[C@@H](C)c1ccc(Cl)c(Cl)c1 408515363 ODQRMVYDCKSPBI-LBPRGKRZSA-N 342.266 4.640 0 50 EJAA CN1Cc2cc(-c3cc(Cl)c(Cl)cc3Cl)ccc2C1=O 1242785403 PJKQHTRCDNQEFL-UHFFFAOYSA-N 326.610 4.899 0 50 EJAA O=C(c1cc2ccc(Cl)cc2o1)N1Cc2ccccc2C2(CC2)C1 2325827845 RQWQSKRDZSNGBZ-UHFFFAOYSA-N 337.806 4.774 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1F 72704 GVVRUHOKCBAIKW-UHFFFAOYSA-N 331.350 4.621 0 50 EJAA CC(C)(C)Cc1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)s1 374488 UROWBTAOEQYJAP-OLZOCXBDSA-N 349.887 4.522 0 50 EJAA CCN(CC)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 443689 AARSGQTWYCUKDH-UHFFFAOYSA-N 336.357 4.804 0 50 EJAA CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 444510 MLIYUJPSZPLPNV-UHFFFAOYSA-N 337.206 4.594 0 50 EJAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)cc1 451161 RQTSZRRKSSGUER-UHFFFAOYSA-N 338.632 4.972 0 50 EJAA CN(C(=O)c1cccc2ccccc12)c1nnc(-c2ccccc2)s1 476017 PXHROHQPZJGGMK-UHFFFAOYSA-N 345.427 4.635 0 50 EJAA COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 499779 ALDBZDLDKUKLOD-AWEZNQCLSA-N 330.472 4.830 0 50 EJAA O=C(Nc1nccs1)c1ccccc1OCc1ccccc1Cl 613787 UEUJEIVOYLOMME-UHFFFAOYSA-N 344.823 4.628 0 50 EJAA Clc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1 1431617 DBSIYSDSRCYYRY-UHFFFAOYSA-N 346.777 4.858 0 50 EJAA CN(C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 4294181 ZOMKLEROOLDRCF-UHFFFAOYSA-N 331.371 4.553 0 50 EJAA O=C(CNc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2 4757967 HUUAICHREOHYIR-UHFFFAOYSA-N 345.354 4.610 0 50 EJAA Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)c1ccccc1 16650549 JDCOCHQQXIZJMR-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA C[C@@H](c1nccs1)N(C)C(=O)c1cccc(Oc2ccccc2)c1 215947324 MYVJFGJWIXEGES-AWEZNQCLSA-N 338.432 4.769 0 50 EJAA CCOc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)c(F)c1 1436876608 ZJIJAEANSDYHLV-UHFFFAOYSA-N 342.395 4.600 0 50 EJAA C[C@@H]1CCCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 194958 UXTFMAAQXOVMCR-APWZRJJASA-N 325.477 4.779 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Br 275333 DEGYMMIWUNLOAR-UHFFFAOYSA-N 325.593 4.747 0 50 EJAA Cc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)c(C)c1 433742 GFNBBKLSRROIDB-UHFFFAOYSA-N 332.447 4.904 0 50 EJAA Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 455423 SAPWEKWFYKXLEY-UHFFFAOYSA-N 344.625 4.973 0 50 EJAA COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C)C 476420 MJWBVCGMBNWBCG-UHFFFAOYSA-N 345.464 4.920 0 50 EJAA Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 1114904 TVVNAPRLJCXICX-GFCCVEGCSA-N 339.218 4.983 0 50 EJAA CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc(Cl)cc1Cl 2679977 LGSFGFSFIHSWAC-CYBMUJFWSA-N 348.314 4.538 0 50 EJAA Oc1cc(-c2ccc3sc4ccccc4c3c2)cc2c1OCCNC2 67879517 BYAPHMPWVQHPPU-UHFFFAOYSA-N 347.439 4.909 0 50 EJAA Cc1noc(C(C)C)c1NC(=O)Nc1cc(C)n(C2CCCCC2)n1 931491061 FCIDQGAMFNVGDZ-UHFFFAOYSA-N 345.447 4.761 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@H](CC(C)C)c1ccc(F)cc1 2325842011 LVCFLXFTZMSQGB-PGRDOPGGSA-N 343.486 4.662 0 50 EJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)(C)C 141072 ASZAIMWKUMRMNW-UHFFFAOYSA-N 331.437 4.576 0 50 EJAA CCc1ccc(OC(=O)c2ccccc2Cl)c(Br)c1 358944 OXBTVHYQLFMXHB-UHFFFAOYSA-N 339.616 4.884 0 50 EJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1cccc(Cl)c1 370774 IIPZXQNBLUWECZ-UHFFFAOYSA-N 337.828 4.564 0 50 EJAA Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1C 385907 IYVRPHFVFYPMIM-GOSISDBHSA-N 345.442 4.851 0 50 EJAA COc1ccc(Oc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 466616 IQFYBAPRKHIXJK-UHFFFAOYSA-N 349.386 4.748 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)NCc3cccnc3)cc2)cc1 1050707 CKVWCYUAKNMBLM-UHFFFAOYSA-N 348.471 4.612 0 50 EJAA Cc1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1C 4955920 SIGDMDPKDYWZES-HZPDHXFCSA-N 334.246 4.829 0 50 EJAA CC(C)N(CCOC(=O)[C@H](c1cccs1)[C@H]1C=CCCC1)C(C)C 33639062 QTMYUJVVJGBKNX-HKUYNNGSSA-N 349.540 4.850 0 50 EJAA COc1cc(SC)ccc1NC(=O)c1c(Cl)cccc1Cl 192970841 MRSBWKABHXUKDB-UHFFFAOYSA-N 342.247 4.976 0 50 EJAA Cc1nc(C2CC2)oc1C(=O)N1CCCCC[C@H]1C1CCCCC1 252539013 NSDRHRROSVJTHY-KRWDZBQOSA-N 330.472 4.826 0 50 EJAA Cc1ccc([C@H](C)n2ccnc2-c2ccc(CC(F)(F)F)cc2)cn1 1857689174 HXXAHFXURRAEHC-AWEZNQCLSA-N 345.368 4.968 0 50 EJAA CCCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H](C(C)C)O1 1857712636 JXPDZKOBGAGODK-RHSMWYFYSA-N 341.854 4.535 0 50 EJAA CCc1oc2ccc(Nc3ccc(CC(=O)N(C)C)cc3)cc2c1C 2100539452 IXZQOVNZIRJNQY-UHFFFAOYSA-N 336.435 4.678 0 50 EJAA O=C(Nc1cccc2ccccc12)C1(c2ccccc2)CCOCC1 195245 AFIWIXZWGAKSQU-UHFFFAOYSA-N 331.415 4.527 0 50 EJAA COc1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 618612 RPRHEEFOPODUSV-UHFFFAOYSA-N 327.236 4.811 0 50 EJAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cc(-c3ccco3)on2)C1 91725005 MIDRVOBLLIWJHY-FQEVSTJZSA-N 342.439 4.810 0 50 EJAA CSc1ccc(C(=O)Nc2ccccc2Cc2cccnc2)cc1 170597723 FUFQVRSETGKTDG-UHFFFAOYSA-N 334.444 4.647 0 50 EJAA CO[C@H](C)c1nc(C)c(C(=O)N2CCCCC[C@H]2CC(C)C)s1 176849474 POVIWYLCSOSZFF-CABCVRRESA-N 338.517 4.590 0 50 EJAA CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)CC1=O 257345751 IBJSQLOPRJPKPB-LVMMLMLSSA-N 332.484 4.530 0 50 EJAA CC(C)c1ccccc1NC(=O)N(C)Cc1ccc(-n2cccn2)cc1 827884260 PJCMVYGMMNHSMF-UHFFFAOYSA-N 348.450 4.660 0 50 EJAA c1ccc2[nH]c(CNCc3cc(CN4CCCCC4)cs3)cc2c1 952960278 XDULQPYHOPODKP-UHFFFAOYSA-N 339.508 4.505 0 50 EJAA Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c(C)c1 36103 CKWVOYDXVGANLE-CQSZACIVSA-N 339.464 4.607 0 50 EJAA O=C(c1ccccc1Br)c1cc(Cl)cc(Cl)c1O 58216 SAXJQZKMFCUNDE-UHFFFAOYSA-N 346.007 4.693 0 50 EJAA COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 72570 GXHDSIKFNYDCCZ-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1C 144594 DKSPFWDRPKGDSY-UHFFFAOYSA-N 337.341 4.648 0 50 EJAA Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1C 191340 MJXWRLYQSQTYDW-UHFFFAOYSA-N 338.190 4.561 0 50 EJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 475027 LQNKCMODUIRGHU-CVEARBPZSA-N 345.870 4.553 0 50 EJAA O=C(NCc1ccccc1Cl)C1(c2ccccc2)CCCCC1 619222 MLZKJCRFESPBIS-UHFFFAOYSA-N 327.855 4.858 0 50 EJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 4081559 FDCINQSOYQUNKB-QFWYRGITSA-N 332.484 4.530 0 50 EJAA biogenic Cc1ccc(NC(=O)c2sccc2Br)cc1Cl 4542006 NZHDJIZEBNERBX-UHFFFAOYSA-N 330.634 4.725 0 50 EJAA Cc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 43125010 CJCZLTJXYMEFAS-IBGZPJMESA-N 349.453 4.904 0 50 EJAA Cc1cc(C)c2[nH]c(C(=O)N3CCCC[C@@H]3c3ccccn3)c(C)c2c1 91724956 FMSPQLDHOYWLCV-LJQANCHMSA-N 347.462 4.856 0 50 EJAA Cc1cccc(OC(F)F)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1C 170623532 HEROVLSUZRABDQ-WCQYABFASA-N 326.387 4.639 0 50 EJAA Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 170630489 QDRDOBUIQPZTCB-IBGZPJMESA-N 325.456 4.599 0 50 EJAA CSc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 363447 APHGHUOSODOIJD-UHFFFAOYSA-N 342.247 4.733 0 50 EJAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(F)cc2)c2ccccc2)cc1 477771 DYYFLWJSVAZPGZ-NRFANRHFSA-N 348.373 4.915 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1 2052357 KEIPKWGSBDDJSW-UHFFFAOYSA-N 326.440 4.574 0 50 EJAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(Cl)(Cl)Cl 2141554 KMRPWDJHWKHRKQ-UHFFFAOYSA-N 340.943 4.668 0 50 EJAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 2907038 YYQHBZPYYSOYHE-KBPBESRZSA-N 340.637 4.866 0 50 EJAA CCC(=O)Nc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 3832992 ODAGDJRNTYZRDK-UHFFFAOYSA-N 334.206 4.885 0 50 EJAA O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H]1c1cccs1 21525279 ULMHGCBVGVXLFZ-OAHLLOKOSA-N 342.395 4.520 0 50 EJAA CCc1c(C)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)F 43203621 OMXGOGXEWUCLFI-UHFFFAOYSA-N 342.748 4.569 0 50 EJAA in-vivo CC[C@@H](C)N(Cc1ccsc1)C(=O)C1(c2ccc(F)cc2)CC1 55343112 PKCIUPJPXBISQU-CQSZACIVSA-N 331.456 4.746 0 50 EJAA Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1 64984645 YPYXDRBKQXVCBE-KRWDZBQOSA-N 327.428 4.784 0 50 EJAA C=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1 67833490 VDXLAPAXQMANMH-UHFFFAOYSA-N 348.377 4.586 0 50 EJAA Cc1ccc2oc(-c3nccn3[C@H](C)Cc3cnccn3)c(C)c2c1 71746820 KFKBEDOTGXELJN-CQSZACIVSA-N 332.407 4.507 0 50 EJAA CN(Cc1cnc(C2CCCCC2)nc1)Cc1cccc2cnccc12 72463161 NRNPOJUXOMWGFF-UHFFFAOYSA-N 346.478 4.705 0 50 EJAA CC(C)CC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 849188227 WGHDXPQMIYTUFC-HNNXBMFYSA-N 341.238 4.521 0 50 EJAA Cc1cc(Oc2ccccc2)nc(N2CC(C)(C)[C@H]2c2cccnc2)n1 1875334067 WUYPVXCYSPTINB-LJQANCHMSA-N 346.434 4.560 0 50 EJAA O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccc(F)cc1 235403 PMYHRLOLKAFCSR-UHFFFAOYSA-N 347.392 4.566 0 50 EJAA O=S(=O)(Nc1ccc2ccccc2c1)c1ccc2ccccc2c1 383606 JXLOZDQXXPLHKC-UHFFFAOYSA-N 333.412 4.794 0 50 EJAA CCOC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 551487 LAQGUIOKBUYJOA-UHFFFAOYSA-N 344.208 4.774 0 50 EJAA CCOc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 1061323 PSRNDKHMJUARMK-UHFFFAOYSA-N 325.339 4.737 0 50 EJAA COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)oc1ccccc12 5014177 NLOCJMUHGNILHT-UHFFFAOYSA-N 347.370 4.856 0 50 EJAA Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)c1ccccc1 12866093 FNCORADQHDXXNO-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA C[C@H]1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 20167513 XLYSZANINBJJJD-GJZGRUSLSA-N 339.907 4.516 0 50 EJAA CC(C)c1noc([C@H]2CCCN2Cc2ccccc2-c2ccco2)n1 77288089 WOYYGUBJHSEEBU-QGZVFWFLSA-N 337.423 4.790 0 50 EJAA COCCC[C@H]1CCCN(C(=O)c2cc(Cl)c(C)c(Cl)c2)C1 91503989 WHZKEONSFAPNNN-CYBMUJFWSA-N 344.282 4.581 0 50 EJAA C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 101641309 QQKRIDPKLWUPHG-ZPFDUUQYSA-N 327.255 4.940 0 50 EJAA O=C(Cc1cc(F)c(F)cc1F)Nc1ccccc1-c1ccccc1 157147190 XRXJXKKJMHIPBP-UHFFFAOYSA-N 341.332 4.952 0 50 EJAA COc1cc(Cl)cc2cc(C(=O)N3CC[C@@H]3c3cccs3)oc12 215562030 FBZJJMKGABIVOP-GFCCVEGCSA-N 347.823 4.744 0 50 EJAA Cc1nnc(SCc2ncoc2C(F)F)n1[C@@H]1CCC[C@H](C)C1 1775990949 IIYQJSQDSGOADG-GXSJLCMTSA-N 342.415 4.556 0 50 EJAA CC1(C)C[C@H](O)c2cc(NCc3conc3Cc3ccccc3)ccc21 1875391770 CMLLXTNTHNVTDC-NRFANRHFSA-N 348.446 4.592 0 50 EJAA C[C@@H](c1ccccc1SCc1nc2cccnc2s1)N(C)C 2325788065 JVPXNIZGCMJTSC-LBPRGKRZSA-N 329.494 4.606 0 50 EJAA COc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1 189965 PSJOYEWKHMBINH-UHFFFAOYSA-N 334.293 4.796 0 50 EJAA Cc1ccnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 337722 ZTRIVMALCWBZBC-IBGZPJMESA-N 334.444 4.862 0 50 EJAA O=C(NC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 451060 YLWQTJWGTPZXCO-UHFFFAOYSA-N 327.383 4.952 0 50 EJAA O=C(c1ccc(Br)cc1)c1cnc(-c2ccccc2)s1 1395940 CLVWADSICSDSDL-UHFFFAOYSA-N 344.233 4.804 0 50 EJAA O=C(Nc1nc(Cl)cc(Cl)n1)Oc1ccc2ccccc2c1 3102040 GOKRKRYOXPAEEW-UHFFFAOYSA-N 334.162 4.548 0 50 EJAA CCN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 4858285 NQZNTSXJHCQBBI-UHFFFAOYSA-N 344.414 4.606 0 50 EJAA Cc1ccnc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 13320491 VGBNFPMACRXFDK-UHFFFAOYSA-N 329.709 4.706 0 50 EJAA Cc1cccc2cc(CN(C)Cc3ccno3)c(-c3cccs3)nc12 72475031 DREYYFZUARSOCZ-UHFFFAOYSA-N 349.459 4.892 0 50 EJAA COc1ccc2oc([C@H](C)NCc3cccc(OC)c3F)c(C)c2c1 192681067 JFQCWRHYBZHIMM-ZDUSSCGKSA-N 343.398 4.748 0 50 EJAA COCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 272488683 HMBCUUUIGDPOFJ-OXQOHEQNSA-N 325.452 4.566 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CC3(CCCCC3)[C@H]2C(C)C)c1C 333830858 LFGDFHYRGBHSRM-MAUKXSAKSA-N 346.519 4.985 0 50 EJAA CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCC)cc1 98396 KABBCYNLZSKLOF-UHFFFAOYSA-N 336.391 4.554 0 50 EJAA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 463543 RSCURJNAAIZKEE-UHFFFAOYSA-N 346.883 4.671 0 50 EJAA COc1ccc(-c2noc(-c3cccc4ccccc34)n2)cc1OC 6743706 RLTABRGOZVTRML-UHFFFAOYSA-N 332.359 4.574 0 50 EJAA Cc1ccc([C@@H](NC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 15839723 OEBGYJJPFVIZIQ-LJQANCHMSA-N 336.822 4.563 0 50 EJAA Cc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2C)cc1 16603274 QTERVCQQEUIKTF-UHFFFAOYSA-N 344.386 4.957 0 50 EJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1C 18241432 RZYNNRJDLAHMIO-OALUTQOASA-N 349.430 4.775 0 50 EJAA Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c1 32639530 IYZMYJOKUORQJH-PFONDFGASA-N 338.410 4.865 0 50 EJAA CC(C)c1noc([C@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)n1 77301795 XGTPYVDYXBAAJI-LJQANCHMSA-N 348.450 4.592 0 50 EJAA c1csc([C@@H]2CCCCN2Cc2cnc(C3CCCCC3)nc2)n1 215341862 OZTRHDIUXJVNAT-KRWDZBQOSA-N 342.512 4.708 0 50 EJAA CN(Cc1cc(F)cc(F)c1)C(=O)CC1CCC(C(F)(F)F)CC1 470059939 YBGCGSICPCRSJP-UHFFFAOYSA-N 349.343 4.682 0 50 EJAA COc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 129848 DLSSTBHCWCLGNE-UHFFFAOYSA-N 331.415 4.733 0 50 EJAA O=C(Nc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 409026 JTBDQDFUQGNSBW-UHFFFAOYSA-N 346.390 4.975 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl 442455 IZHZRGMFWRNUIO-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA CC(=O)c1sc2nc(-c3ccc(C)cc3)c3c(c2c1N)CCCC3 521860 ZHSCIBUUPZLMQV-UHFFFAOYSA-N 336.460 4.935 0 50 EJAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 610219 SUCPHTSQDHZEGV-UHFFFAOYSA-N 348.358 4.852 0 50 EJAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)Cc1ccccc1 12612503 LBKGODUNGYIDJF-UHFFFAOYSA-N 328.362 4.560 0 50 EJAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 14257200 KGBLBTGSXJQABE-ZDUSSCGKSA-N 335.494 4.723 0 50 EJAA Cc1noc(C2CC2)c1NC(=O)c1ccc(OC2CCCCC2)cc1 154189112 ZABWGCCLEPPAMC-UHFFFAOYSA-N 340.423 4.824 0 50 EJAA CCOP(=O)(Cc1cccc(NC(=O)OC(C)(C)C)c1)OCC 1776004666 XJKVTQRRQSSMAW-UHFFFAOYSA-N 343.360 4.800 0 50 EJAA O=C(O)c1ccccc1CC1CCN(Cc2ccc3occc3c2)CC1 1875270606 GLNYKVXFRNTRGL-UHFFFAOYSA-N 349.430 4.586 0 50 EJAA CC(C)c1ccc(O)c(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1 1875335862 JKMCEHDOGPREJG-SFHVURJKSA-N 339.435 4.662 0 50 EJAA c1ccc(-c2cc3c(N4CCc5ccccc5C4)ncnc3s2)cc1 89468 CAUKDQAEFAFFOK-UHFFFAOYSA-N 343.455 4.921 0 50 EJAA CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1 617253 HQVXNHKMAGIJNN-UHFFFAOYSA-N 336.391 4.569 0 50 EJAA CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC)cc1 1946099 RMGYJIUZVOUBGC-IZZDOVSWSA-N 345.826 4.789 0 50 EJAA COc1ccccc1Oc1ccccc1C(=O)N1CCCCCC1 4842720 MOFSZAJGITVANZ-UHFFFAOYSA-N 325.408 4.504 0 50 EJAA Cc1ccc(N2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 5017455 FOJYMYWMWRVCDK-XNTDXEJSSA-N 329.808 4.889 0 50 EJAA COc1ccccc1-c1cnn2c(Nc3ccc(C)cc3)cc(C)nc12 7572481 VCHJSNLIZITECI-UHFFFAOYSA-N 344.418 4.765 0 50 EJAA Cc1ccc2nc(-c3cccc(NC(=O)c4cccs4)c3)[nH]c2c1 18220102 BDHYTOROWXHRFW-UHFFFAOYSA-N 333.416 4.852 0 50 EJAA Brc1ccc(CN2CCc3c([nH]c4ccccc34)C2)s1 22779580 NEAQQFKEJRCCMJ-UHFFFAOYSA-N 347.281 4.550 0 50 EJAA C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(C)nn2C1CCCCC1 65531860 GGOWNZGOWRXNLD-MLFXKNMZSA-N 339.439 4.819 0 50 EJAA Cc1ccccc1[C@H]1CCCN(C(=O)c2sc(C(C)C)nc2C)C1 77517181 ZZRWJIIUVYYCBG-INIZCTEOSA-N 342.508 4.903 0 50 EJAA CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)C[C@@](C)(N)C1 100734829 DTOUUUZOYKYHEP-WKCHPHFGSA-N 339.612 4.712 0 50 EJAA world Fc1ccc([C@H]2CCCCN2Cc2cc(-c3ccncc3)no2)cc1 244723526 MDFOIGYZHRNVPF-HXUWFJFHSA-N 337.398 4.603 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257345970 NTPXXNCDCQTPIF-XHOBZQISSA-N 332.484 4.530 0 50 EJAA CCc1nc(C)c(C(=O)Nc2ccc3c(c2)cc(C)n3CC)s1 952989155 SWDQBMPEYBKNRZ-UHFFFAOYSA-N 327.453 4.549 0 50 EJAA Cc1sc2nc(-c3ccsn3)nc(O)c2c1-c1ccc(F)cc1 1875303903 ROWAJCFLGSOADH-UHFFFAOYSA-N 343.408 4.635 0 50 EJAA Cc1cccc(CN2N=C(c3csc4ccccc34)CCC2=O)c1 1875354952 VAMMZJOYKWINSQ-UHFFFAOYSA-N 334.444 4.736 0 50 EJAA Clc1nc2ccsc2cc1CN1CCC(n2cccc2)CC1 2325719928 VTDKEDXYKGVIHI-UHFFFAOYSA-N 331.872 4.588 0 50 EJAA O=c1n(Cc2ccc(C3CCC3)cc2)ccn1-c1ccc(Cl)cc1 2325863851 YYMLPWWKEGLGFQ-UHFFFAOYSA-N 338.838 4.608 0 50 EJAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 438966 YXPZCKQOHCYWJJ-KRWDZBQOSA-N 338.432 4.606 0 50 EJAA Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc1 459224 NSMRYECPRXPHPB-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA c1ccc(CNCC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 4677215 DXIZNVHVLWVQIJ-OAQYLSRUSA-N 345.442 4.727 0 50 EJAA CCOc1cc(CNCc2ccco2)ccc1OCc1cccs1 4942825 PWEYTMTYLJRBOJ-UHFFFAOYSA-N 343.448 4.609 0 50 EJAA Cc1ccc(-c2cnn3c(N4CCCC4)cc(C(C)(C)C)nc23)cc1 5348900 SRYWANBBSVZXAF-UHFFFAOYSA-N 334.467 4.602 0 50 EJAA CSc1ccc(CNCc2cccnc2Oc2ccccc2)cc1 12076647 PKTMIMJFRAZBQQ-UHFFFAOYSA-N 336.460 4.886 0 50 EJAA Cc1nc(Cn2ccc(-c3cccc(-c4cnccc4C)c3)n2)cs1 19223838 FCJMJWSJFWKAHF-UHFFFAOYSA-N 346.459 4.734 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 38139216 CUTARBNEDWEWAS-UHFFFAOYSA-N 334.444 4.935 0 50 EJAA C[C@@H]1[C@@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCC[C@H]1C 239203380 SFZFJLNLICHCTF-CTOYSFNJSA-N 348.490 4.756 0 50 EJAA CCOc1ccc(C[C@@H](C)CNCc2ccc(C(F)(F)F)o2)cc1 2325793546 ZWXKQFCTCDPCEN-CYBMUJFWSA-N 341.373 4.666 0 50 EJAA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(F)c2)cc1 183487 VKZRQMPERUOMOZ-HXUWFJFHSA-N 348.377 4.605 0 50 EJAA CC(C)Oc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 316519 CLNRVUDTATWOQC-UHFFFAOYSA-N 331.415 4.978 0 50 EJAA biogenic CC(C)(C)c1cc(Cl)ccc1OCCCSc1ncccn1 5013542 UUZMGQFMXCQBNN-UHFFFAOYSA-N 336.888 4.989 0 50 EJAA CCCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 8393412 WTYIFMCFIOSNBD-UHFFFAOYSA-N 346.430 4.714 0 50 EJAA CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 13326555 QCCFNESQEBHSHO-GFCCVEGCSA-N 335.806 4.756 0 50 EJAA O=C(/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 14658236 PKLGRWSJBLGIBF-JMQWPVDRSA-N 341.451 4.558 0 50 EJAA endogenous,in-man CCCO[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 15065539 SUICCMIAVPLTFM-QGZVFWFLSA-N 348.874 4.694 0 50 EJAA CCSc1ccccc1NC(=O)c1ccc([C@@H]2CCCO2)s1 952970110 QAMQQCFRKQUFBM-ZDUSSCGKSA-N 333.478 4.964 0 50 EJAA COc1cc(OC)cc(C(=O)Nc2ccccc2-c2ccccc2)c1 3603780 QFLSDCBSOWPQCO-UHFFFAOYSA-N 333.387 4.623 0 50 EJAA COc1ccc(OC)c(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 4857937 XJXIUTKBVCYRNF-UHFFFAOYSA-N 347.370 4.856 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C(=O)O)=C[C@@H]21 5821086 YOVRGSHRZRJTLZ-CVEARBPZSA-N 344.451 4.801 0 50 EJAA biogenic CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)CC1 16697228 UEOHLUHRQWYQRT-UHFFFAOYSA-N 340.261 4.564 0 50 EJAA in-vitro Fc1cccc2c(N(Cc3ccco3)Cc3cccs3)ncnc12 170606576 CUKISSHQIFURMX-UHFFFAOYSA-N 339.395 4.630 0 50 EJAA Cc1c(NC(=O)[C@H](C)c2cccc(CC(C)C)c2)n[nH]c1C1CC1 796092755 IHPNDXUILSRHQA-CYBMUJFWSA-N 325.456 4.536 0 50 EJAA O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 197927 UQLJEOCABMCPFW-UHFFFAOYSA-N 328.820 4.840 0 50 EJAA COc1cc(NC(=O)Nc2ccccc2Cl)c(OC)cc1Cl 398804 JBHIRUFJLHGFBZ-UHFFFAOYSA-N 341.194 4.655 0 50 EJAA CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 442477 ATYCCOLSGSBFIZ-LLVKDONJSA-N 338.234 4.962 0 50 EJAA CSc1ccccc1C(=O)Nc1ccc(Br)c(C)c1 1051580 PZWWCWOWEWOCCE-UHFFFAOYSA-N 336.254 4.732 0 50 EJAA COc1ccc(C(=O)Nc2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1 1076274 HQEHSLRUAMVVQG-HNNXBMFYSA-N 336.218 4.609 0 50 EJAA COc1ccccc1[C@H](CCNCc1ccccc1F)c1ccco1 1820871 LPSASRYAMPFRQZ-SFHVURJKSA-N 339.410 4.739 0 50 EJAA COc1ccccc1[C@@H](CC(=O)c1ccccc1)[C@H]1CCCCC1=O 5016798 ZVJXAYGMMPCTCX-MJGOQNOKSA-N 336.431 4.811 0 50 EJAA Cc1ccc(-c2nc(CN3CCC[C@H]3c3nccs3)c(C)o2)s1 12209612 NSRLQNJAIVHQKW-AWEZNQCLSA-N 345.493 4.814 0 50 EJAA CCn1ccnc1CN1CCc2c([nH]c3ccccc23)[C@@H]1CC(C)C 12307129 QVRWXYBODPTNQQ-IBGZPJMESA-N 336.483 4.530 0 50 EJAA COc1c(F)cccc1CN1CCCC[C@H]1CCc1cccc(O)c1 216462669 OMZOXTMKSWAMNR-SFHVURJKSA-N 343.442 4.527 0 50 EJAA O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245240206 NLTXPOMUPHQBKJ-OYQDBORRSA-N 342.241 4.620 0 50 EJAA Cc1ccc(Sc2ccnc(NCc3c(C)cccc3F)n2)cc1 1875332178 MXIDASFKXRARRK-UHFFFAOYSA-N 339.439 4.996 0 50 EJAA Cc1ccc(-c2cc3c4c(c2)CC(=O)N4CCC3)cc1C(F)(F)F 2325776465 PAJYFQLKZQBOJK-UHFFFAOYSA-N 331.337 4.516 0 50 EJAA CC(C)Oc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl 35992 USNHYHYWWQDOAV-UHFFFAOYSA-N 325.742 4.658 0 50 EJAA Cc1oc2ccc(OC(=O)c3cccs3)cc2c1C(=O)OC(C)C 96579 BZZMDFGKDWTUJH-UHFFFAOYSA-N 344.388 4.587 0 50 EJAA C[C@H]1CCc2c(-c3n[nH]c(=S)n3Cc3ccccc3)csc2C1 374711 OUYIHEQAPFOZLC-LBPRGKRZSA-N 341.505 4.842 0 50 EJAA Cc1ccc(C)c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 859313 JCOAWYQSMZBAAO-UHFFFAOYSA-N 331.415 4.988 0 50 EJAA CCCOc1ccc(OCCOc2cccc3ccc(C)nc23)cc1 2824125 PNGIHJUAOMUJTM-UHFFFAOYSA-N 337.419 4.790 0 50 EJAA C[C@@H](NC(=O)c1sc2ncccc2c1-n1cccc1)c1ccccc1 8610691 TWQGRZGVDKDURX-CQSZACIVSA-N 347.443 4.578 0 50 EJAA CC(C)CCN1CCC[C@H](c2[nH]ncc2-c2c(F)cccc2F)C1 12242242 FHWNZUNVFPJRJQ-AWEZNQCLSA-N 333.426 4.580 0 50 EJAA Clc1cccc(-c2noc(-c3ccc(-c4ccncc4)nc3)n2)c1 72119505 BKBOZDZYXIWYFC-UHFFFAOYSA-N 334.766 4.514 0 50 EJAA Cc1cc(F)ccc1-c1ccc(CNc2ccc([S@](C)=O)cc2)o1 121569199 DVEUSNYNKYZHNG-XMMPIXPASA-N 343.423 4.744 0 50 EJAA C[C@H]1CN(Cc2cnc(O)c3ccccc23)CC[C@H]1c1ccccc1 1167500121 RSZHDZZECXVGFL-QFBILLFUSA-N 332.447 4.566 0 50 EJAA Clc1cc2cc(-c3nc(Cc4ccncc4)no3)[nH]c2cc1Cl 1775986395 APOWALCNRSHPMM-UHFFFAOYSA-N 345.189 4.511 0 50 EJAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 1066782 ANNJLWLCBAPCCP-GFCCVEGCSA-N 345.830 4.512 0 50 EJAA Cc1ccc(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)cc1C 1162702 FVYBLEUZGZFDLR-UHFFFAOYSA-N 345.398 4.775 0 50 EJAA CC1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)CC1 2326161 FRSHJFBGVUYPMW-UHFFFAOYSA-N 348.494 4.930 0 50 EJAA Cc1ccc2cc(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)[nH]c2c1 170634446 DGNZUULCKOTSNO-AEFFLSMTSA-N 332.447 4.803 0 50 EJAA c1ccc(-c2nccs2)c(OCc2csc([C@@H]3CCCO3)n2)c1 183174751 ZDMMRXFHKCDALB-HNNXBMFYSA-N 344.461 4.697 0 50 EJAA CC(=O)c1ccc(O)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1 436874946 WZYBSRZTMHWKDG-UHFFFAOYSA-N 347.370 4.639 0 50 EJAA CC(C)(c1ccccc1)c1noc(COc2ccc(F)cc2Cl)n1 1875321342 FDNDNUFKBROPFY-UHFFFAOYSA-N 346.789 4.767 0 50 EJAA COc1cccc(-c2nc(N(C)[C@H](C)CC3CC3)c3ccccc3n2)c1 1875359141 VYJYMQHUUCOSDT-OAHLLOKOSA-N 347.462 4.930 0 50 EJAA O=C(Cc1ccccc1)Nc1nc2c(Cl)c(Cl)ccc2s1 2862447 GTWMMXMWNWTZFS-UHFFFAOYSA-N 337.231 4.784 0 50 EJAA COc1ccc(-c2cc3cc4c(C)coc4cc3oc2=O)cc1OC 4540420 HOBIGLRLFWIOLP-UHFFFAOYSA-N 336.343 4.532 0 50 EJAA biogenic O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2cccs2)s1 9169448 DNESWUHKXBFNST-UHFFFAOYSA-N 336.829 4.564 0 50 EJAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1C 12210670 IXIQVGXOKJTBOW-LJQANCHMSA-N 348.446 4.766 0 50 EJAA Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2C)c2cccnc2)c1 15839812 AOTNHWKIRWJVGG-NRFANRHFSA-N 330.431 4.526 0 50 EJAA Cc1ccc(C)c(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1 22203902 KEUIVKVBOWMPOF-QGZVFWFLSA-N 334.246 4.758 0 50 EJAA CCc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 239432944 WYKHZCQTFQGUQH-NHUSPQTBSA-N 347.458 5.244 0 50 EJAA CC[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3F)cc2)CC1 426511818 UYMFFBXPFRUWCN-HNNXBMFYSA-N 326.415 4.540 0 50 EJAA Cc1nc(Cl)c(C(=O)NCc2ccc(Cl)cc2)c(C)c1Cl 111544 XXHKKHOPXZFIKD-UHFFFAOYSA-N 343.641 4.589 0 50 EJAA COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 296734 ORPUOLDQJHHXPM-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA c1ccc(-c2ncc(CN3CCC(c4ccncc4)CC3)s2)cc1 72438502 MPQANKGTWZTEEM-UHFFFAOYSA-N 335.476 4.585 0 50 EJAA Cc1cc(C)c(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c(C)c1 121517316 DPRAMZJFKAMSJG-OAQYLSRUSA-N 347.462 4.603 0 50 EJAA CO[C@@H](C)c1nc(C)c(C(=O)N2CCCCC[C@@H]2CC(C)C)s1 176849460 POVIWYLCSOSZFF-LSDHHAIUSA-N 338.517 4.590 0 50 EJAA Cc1nc(-c2ccccc2)oc1C(=O)OCCCCC(F)(F)F 179251192 QIGIMSQYFOLGSL-UHFFFAOYSA-N 327.302 4.539 0 50 EJAA O=C(Nc1ccc2cc[nH]c2c1)C1(c2ccc(F)cc2F)CCC1 194805941 YRWPMYHCJBPWDH-UHFFFAOYSA-N 326.346 4.507 0 50 EJAA COc1cc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c(C)c1C 253420091 LYBLSVDSRNHLDD-CVEARBPZSA-N 345.389 4.641 0 50 EJAA CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1OC 145216 XWETZCOMXFKUAG-UXBLZVDNSA-N 345.826 4.708 0 50 EJAA CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Cl)c3)nc2c1 238156 AABFKSCBTOPMRY-UHFFFAOYSA-N 344.798 4.895 0 50 EJAA O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCCCC1 425705 VHQOJPUDIVDKTB-UHFFFAOYSA-N 339.222 4.665 0 50 EJAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(C)(C)C)c1 469603 YLMGYDWOBPOLDQ-UHFFFAOYSA-N 325.452 4.927 0 50 EJAA C[C@@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 1192845 KVJIMMQVXHIWBU-IBGZPJMESA-N 343.470 4.956 0 50 EJAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 2858536 AIDDVBBTAHODAX-UHFFFAOYSA-N 348.805 4.860 0 50 EJAA CCCCSC[C@@H](COC(C)C)OC(=O)c1ccc(Cl)cc1 2977916 VRMGWWHCHOPVHS-MRXNPFEDSA-N 344.904 4.824 0 50 EJAA COc1ccccc1CNc1ccc(-c2nc3ncccc3o2)cc1 8644172 LDNMAPCQSSFFHL-UHFFFAOYSA-N 331.375 4.511 0 50 EJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)oc2c1 215789954 CYAKIVHTCXVNGZ-SFHVURJKSA-N 337.423 4.535 0 50 EJAA Cc1noc(C2CC2)c1C(=O)N=c1c(C(C)C)c(C)[nH]c2ccccc12 408514440 UJDSWHUJRQSPLI-UHFFFAOYSA-N 349.434 4.515 0 50 EJAA C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 726334408 YVOGJCURXKEVAX-VIFPVBQESA-N 335.190 4.788 0 50 EJAA COc1cc(C(C)=O)ccc1OC(=O)c1ccc(-c2ccccc2)cc1 129401 WVBIOANPZQLFRG-UHFFFAOYSA-N 346.382 4.784 0 50 EJAA Cc1ccc2c(c1)c1c3n2CC(=O)N([C@H](C)c2ccccc2)[C@H]3CCC1 190456 SVWIFMOPOCWQOQ-IERDGZPVSA-N 344.458 4.931 0 50 EJAA biogenic COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1OC 308760 OPCGRXOOCVTOMP-UHFFFAOYSA-N 341.794 4.763 0 50 EJAA COc1c(Br)cc(-c2ccccc2)cc1Br 405077 ADHLXWXIHZFYMC-UHFFFAOYSA-N 342.030 4.887 0 50 EJAA COc1ccccc1Oc1ccc(NC(=O)c2cccs2)cc1 11516432 MEJUHQPBOMIJOM-UHFFFAOYSA-N 325.389 4.801 0 50 EJAA Cc1cccc([C@H](NCc2cnc3nc(C)cc(C)n23)C(C)(C)C)c1 157443075 AZPOUILNWFKQCX-IBGZPJMESA-N 336.483 4.532 0 50 EJAA C[Si](C)(C)CCOCn1ccc2c(Br)cccc21 218228894 VWHAPXWTXSCOTG-UHFFFAOYSA-N 326.310 4.716 0 50 EJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 239425718 VBRKHYVVZHWUSP-GMAHTHKFSA-N 340.426 5.237 0 50 EJAA O=C([C@H]1CCCC(F)(F)C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 241173073 KFTXICLFHAGTRC-YJBOKZPZSA-N 346.421 5.047 0 50 EJAA COc1cc2c(cc1NC(=O)[C@@H](C)c1ccccn1)oc1ccccc12 253405581 OFIUYHHYPDSQAN-ZDUSSCGKSA-N 346.386 4.732 0 50 EJAA C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)nc2)C1 796611411 DXVZOBAPPSAHCF-XJKSGUPXSA-N 329.831 4.740 0 50 EJAA O=C(/C=C/c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 265187 GMIIBLUETWDOTO-OFYULWLWSA-N 342.394 4.867 0 50 EJAA biogenic COc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC 276238 GKVLKQQITBVGCF-KRWDZBQOSA-N 333.387 4.597 0 50 EJAA CCOC(=O)C(C)(C)Oc1ccc(C(C)(C)c2ccccc2)cc1 1459472 MQURRSVWDUCOGT-UHFFFAOYSA-N 326.436 4.733 0 50 EJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC1CCCCC1 6885233 BCMQDJRAZRBXOF-DTQAZKPQSA-N 335.447 4.728 0 50 EJAA C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 49600032 ITDOFWOJEDZPCF-SZJIHULOSA-N 326.392 4.680 0 50 EJAA biogenic,in-vitro COc1ccccc1CN(Cc1cccnc1)Cc1sccc1C 55370212 DTLNTKYWJIHQAM-UHFFFAOYSA-N 338.476 4.663 0 50 EJAA CCCc1nc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)cs1 92002586 NGDANPBULYGXSR-INIZCTEOSA-N 332.444 4.602 0 50 EJAA Clc1ccc(-c2cn3nc(NC4CCCCC4)sc3n2)cc1 117612566 OVZTTXVEBKNNBR-UHFFFAOYSA-N 332.860 4.856 0 50 EJAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2C)c1C 163942291 PQNZAGINEBDISV-UHFFFAOYSA-N 344.842 4.948 0 50 EJAA O=C(Nc1ccc2sncc2c1)N1CCC[C@H]1c1cccc(F)c1 194221454 FRDWAWPABTXKNT-INIZCTEOSA-N 341.411 4.804 0 50 EJAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 257345567 BQNVVPPVBZECMC-FZAOWKRDSA-N 332.484 4.530 0 50 EJAA C[C@H](c1ccc(-c2cccc(C(=O)N(C)C)c2)cc1)N1CCCCC1 426661370 RHBOUZWMLBMWAZ-QGZVFWFLSA-N 336.479 4.602 0 50 EJAA Cc1cc(NC(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)cc2n[nH]cc12 1476295493 LWWLKKNDERJWCR-XCLFUZPHSA-N 348.450 4.707 0 50 EJAA O=C(N[C@H](c1cccs1)C1CC1)c1csc(-c2ccsc2)n1 1875254753 XGPJFFUOLWTMDK-AWEZNQCLSA-N 346.502 4.814 0 50 EJAA C[C@@H](NC1CC(n2ccnc2)C1)c1ccc(Cl)c2ccccc12 2325797875 ZSDWCMQQAXEAQA-WLYUNCDWSA-N 325.843 4.744 0 50 EJAA CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1nccc(F)c1Cl 2325826816 NFLWYZDIKYSOKA-INIZCTEOSA-N 347.865 4.587 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccccc1 105925 FEYJGIMRZKUZQS-UHFFFAOYSA-N 346.411 4.921 0 50 EJAA COc1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 185683 FRQKOWGQFVARTL-UHFFFAOYSA-N 346.308 4.544 0 50 EJAA O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 372196 FNILJGXXUSUJBN-UHFFFAOYSA-N 328.626 4.506 0 50 EJAA COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 556507 PBBPSYLYUJYXGO-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)NCCc1ccc(F)cc1 860521 UWGRRGLRVISNHI-UHFFFAOYSA-N 347.433 4.707 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 3301283 UYQAKHCPXAGDGM-UHFFFAOYSA-N 328.843 4.512 0 50 EJAA COc1ccc(Nc2nc(-c3ccccc3)c(C)s2)c(OC)c1 4757829 INVJXCNVYQISCR-UHFFFAOYSA-N 326.421 4.879 0 50 EJAA O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 17146334 HEKWYKKSUKJUEY-UHFFFAOYSA-N 330.800 4.503 0 50 EJAA CCCc1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 77487501 MEUJSFHKWGYTOU-MRXNPFEDSA-N 332.444 4.602 0 50 EJAA C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(N2CCCC2)nc1 126015735 WDXMJIXLUXHEIA-MRXNPFEDSA-N 335.451 4.621 0 50 EJAA COc1cccc(OC)c1-c1cccc2c1P(C(C)(C)C)CO2 140674047 BWPDUHMFZCEKIP-UHFFFAOYSA-N 330.364 4.626 0 50 EJAA CCOc1cc2c(cc1CN1CCC[C@@H]1c1c(C)noc1C)CCC2 215939363 GKVZWNQEUKMUGC-LJQANCHMSA-N 340.467 4.516 0 50 EJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(OC)c(C)c1 242292557 YNFTVFVBKKDVTB-UHFFFAOYSA-N 337.423 4.539 0 50 EJAA FC(F)(F)c1ccc2nnc(-c3c(Cl)cccc3Cl)n2c1 49410 AFAYPICZDGXMBY-UHFFFAOYSA-N 332.112 4.722 0 50 EJAA O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F 438229 SMUDWMSMOGGQDM-UHFFFAOYSA-N 348.151 4.761 0 50 EJAA O=C(Nc1ccccc1O)c1cccc2c(Br)cccc12 442291 WYWFMPNXDRWOAL-UHFFFAOYSA-N 342.192 4.560 0 50 EJAA CCCN1C(=O)S/C(=C\c2cc(C(C)C)c(OCC)cc2C)C1=O 1012676 VVNXZRZRFICKMV-BOPFTXTBSA-N 347.480 4.963 0 50 EJAA Cc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1 28290846 SDDVWEFQKVBEFA-UHFFFAOYSA-N 336.822 4.890 0 50 EJAA FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2ccncc2)C1 71738814 ULYZWVAGBKJAQQ-MRXNPFEDSA-N 348.412 4.945 0 50 EJAA O=C(c1cc2c(s1)CCCCC2)N1CC[C@@H](c2ccccc2)C1 499756416 KCOCPOVQMJNZDM-QGZVFWFLSA-N 325.477 4.647 0 50 EJAA FC(F)(F)c1ccc(-c2noc(C(Cl)(Cl)Cl)n2)cc1 526056086 RMLXZYKFPVPHMW-UHFFFAOYSA-N 331.508 4.582 0 50 EJAA O=C(O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 98569 CVIWYDGUEMBIQR-UHFFFAOYSA-N 347.399 4.800 0 50 EJAA O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1 138872 BUXRDXMSBNLPFR-UHFFFAOYSA-N 334.400 4.738 0 50 EJAA CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 465507 XCSJGPLVLDHYPQ-UHFFFAOYSA-N 345.192 4.621 0 50 EJAA biogenic COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 5014074 YQGHYKQSWMLODW-NRFANRHFSA-N 349.405 4.995 0 50 EJAA CC(C)C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 12120233 SJYDIOMNSCHAHO-QGZVFWFLSA-N 330.403 4.580 0 50 EJAA Cc1ccc(-c2cncnc2[C@H]2CCCN(Cc3cccs3)C2)cc1 20785793 CIVZJCGLRFTDQU-SFHVURJKSA-N 349.503 4.893 0 50 EJAA Cc1ccc(-c2ccccc2CN2CCC3(CCOCC3)CC2)o1 97642320 JIQKHUZBRHCDNX-UHFFFAOYSA-N 325.452 4.648 0 50 EJAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(C[C@H]3CC=CCC3)C2)c1 200584565 YRRPHZLSHVEERK-AZUAARDMSA-N 335.495 4.921 0 50 EJAA COc1ccc(-c2cnc(CN3CCC[C@@H]4CCCC[C@H]43)o2)cc1 230145362 HULCOLKOTPWQNK-MAUKXSAKSA-N 326.440 4.505 0 50 EJAA COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(C)C)cc1 319226 HFAQYUVTWNJDBC-UHFFFAOYSA-N 347.842 4.798 0 50 EJAA Cc1cc(Br)ccc1NC(=O)CCCc1ccccc1 458246 SFRWWIUXQFRTRQ-UHFFFAOYSA-N 332.241 4.719 0 50 EJAA COc1cc(OC)c2c(C(F)(F)F)cc(-c3cccs3)nc2c1 3369687 YMQCQXDNOPBCFU-UHFFFAOYSA-N 339.338 4.999 0 50 EJAA CCCCC[C@H](C)OC(=O)COc1ccc(Cl)c2cccnc12 4073695 COYBRKAVBMYYSF-ZDUSSCGKSA-N 335.831 4.779 0 50 EJAA biogenic,in-vitro Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)c1 4820307 QVKDTYFYNKAJBE-UHFFFAOYSA-N 349.434 4.623 0 50 EJAA O=c1[nH]c(Cc2cccc3ccccc23)nc2sc3c(c12)CCCC3 8576684 LHZOFZLJKMPZAU-UHFFFAOYSA-N 346.455 4.607 0 50 EJAA Cn1ncc2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 20604875 FBSZXJHMCCJGIY-UHFFFAOYSA-N 327.309 4.807 0 50 EJAA CCc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)s1 27268236 UJFRNOVBIZPWFL-UHFFFAOYSA-N 330.453 4.547 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2cccc(C)c2C)no1 64984603 WPEGAJYSNQTNLP-GOSISDBHSA-N 327.428 4.613 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N1CCCCC[C@@H]1c1ccco1 91830265 GYEZYLSTXCAGRF-CQSZACIVSA-N 332.469 4.925 0 50 EJAA C[C@H](C1CC1)N(C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 170620757 IEZROHBAMXOHRN-CQSZACIVSA-N 342.414 4.667 0 50 EJAA C[C@@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H]1c1ccccc1 186067260 ZTBCMXQXLOXLJI-YJYMSZOUSA-N 347.418 4.930 0 50 EJAA CC(C)n1ccc2c(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)cccc21 223214137 ZADOLLDBDSWQNQ-CQSZACIVSA-N 346.434 4.590 0 50 EJAA CC1(C)CN(Cc2cnc(C(F)(F)F)s2)Cc2c(F)cccc21 2325828348 FCWCACRJVJBWPH-UHFFFAOYSA-N 344.377 4.594 0 50 EJAA Cc1c(C(=O)Nc2ccccc2)oc2ccc(Br)cc12 1057168 XKVNAVJNNZYYEE-UHFFFAOYSA-N 330.181 4.756 0 50 EJAA c1ccc(-n2ncc3c(Nc4ccc5ccccc5c4)ncnc32)cc1 1303970 VTGOGRUKALNOLJ-UHFFFAOYSA-N 337.386 4.712 0 50 EJAA O=C1C(Nc2ccc(F)cc2)=C2CCCC=C2N1c1ccc(F)cc1 1423030 JRCXRMJENMJVHH-UHFFFAOYSA-N 338.357 4.745 0 50 EJAA O=C(CSc1ccc(Cl)cc1)NCCSC1CCCCC1 2815384 TXUIUZSGHOVGMA-UHFFFAOYSA-N 343.945 4.614 0 50 EJAA O=c1[nH]c(SCc2ccc(Cl)c(Cl)c2)nc2ccccc12 5042202 HYDKDXKEVLDPEC-UHFFFAOYSA-N 337.231 4.522 0 50 EJAA Sc1nnc(CSCc2ccc(Cl)cc2)n1-c1ccccc1 5757245 VOZMJLMYELCLMF-UHFFFAOYSA-N 347.896 4.643 0 50 EJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 18175820 CXLNWCZPHHMXAP-KRWDZBQOSA-N 330.815 4.718 0 50 EJAA Cc1c(-c2c(-c3ccccc3)ncn2[C@@H]2CCNC2)oc2ccccc12 65505920 JCUNGEVQEITLCW-QGZVFWFLSA-N 343.430 4.806 0 50 EJAA c1ccc(C2CCC(N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)CC2)cc1 102956680 LRFGDHOYBPTOBR-PIPIEWNZSA-N 338.539 4.519 0 50 EJAA Cc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc43)[nH]2)s1 170620855 DSMGLWNTNCGLEB-UHFFFAOYSA-N 334.444 4.963 0 50 EJAA CSCc1nnc(SC[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 253432581 LKNGCJIIJSWXAR-SECBINFHSA-N 348.415 4.847 0 50 EJAA Clc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1 291732 YQOJJUNVCIZYMI-UHFFFAOYSA-N 332.194 4.666 0 50 EJAA COc1ccccc1CC(=O)Nc1ccc(Nc2ccccc2)cc1 311395 KKFNCVFKOSBJCJ-UHFFFAOYSA-N 332.403 4.620 0 50 EJAA Cc1ccc2c(c1)CN(C)c1c(cc(C=O)c3ccccc13)CN2C 336986 STFOICRWVHGMMF-UHFFFAOYSA-N 330.431 4.547 0 50 EJAA CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 469801 RBGOCYGNCINHHD-UHFFFAOYSA-N 345.855 4.708 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1F 475182 PTHNCVSAJLDKDY-SECBINFHSA-N 328.170 4.539 0 50 EJAA COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O2 2554900 VOCGSQHKPZSIKB-FQEVSTJZSA-N 338.403 4.616 0 50 EJAA biogenic,in-vitro CCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 2754499 HORNCWRJQRBORP-UHFFFAOYSA-N 342.395 4.600 0 50 EJAA CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1 4020027 BTJBQISFHKZXRD-UHFFFAOYSA-N 337.206 4.513 0 50 EJAA O=C1CCCCc2ccc(cc2)Cc2ccc(cc2)CCCC[C@@H]1O 4787954 XQCHFPADVQGJCQ-QFIPXVFZSA-N 336.475 4.647 0 50 EJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@@H]1CCOC1 12456572 CIKIRRFWSMBYHX-HXUWFJFHSA-N 348.446 4.538 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 16597803 OHSPDFFBYCOUCA-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CSc1nc3ccccc3o1)C2 100624384 GCRQOKVKSBBEHO-HGQUKEQDSA-N 345.464 4.678 0 50 EJAA Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c(C)n1 184952297 AHQXHXISQUNUOJ-UHFFFAOYSA-N 342.748 4.931 0 50 EJAA S=C1O[C@H]2CC3[C@H](c4ccccc4)C(C[C@H]2O1)[C@@H]3c1ccccc1 245482275 BFHMZFVZCQTIBF-ICDVORIESA-N 336.456 4.663 0 50 EJAA COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 251150035 HYCPIHNPNGVLPJ-JUKWXOASSA-N 339.435 4.611 0 50 EJAA Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1 60296 IFZZINHKFFAFDG-INIZCTEOSA-N 348.265 4.536 0 50 EJAA c1ccc(-c2cc3c(Nc4ccc5c(c4)OCO5)ncnc3s2)cc1 90093 RNLATLDOMSBRAC-UHFFFAOYSA-N 347.399 4.831 0 50 EJAA C=CC(=O)N1c2ccccc2Sc2ccc(NC(=O)OCC)cc21 225037 HWRCYGVQASLSKP-UHFFFAOYSA-N 340.404 4.570 0 50 EJAA Cc1cc(OCC(=O)Nc2cccc3ncccc23)cc(C)c1Cl 360601 SMVNOZBHVTZTEN-UHFFFAOYSA-N 340.810 4.523 0 50 EJAA Cc1ccn2c(C(=O)CSc3ccccc3Cl)c(C)nc2c1 4003151 UWXKFDRJWQDCEZ-UHFFFAOYSA-N 330.840 4.580 0 50 EJAA CCc1cccc(C)c1NC(=O)COc1c(Cl)cccc1Cl 4542110 YSLDQAHXMASWKY-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccccc2)c1 10287580 WYTQYFZTPBNNHI-UHFFFAOYSA-N 331.803 4.723 0 50 EJAA Cc1ccc(C)c([C@@H](C)NC(=S)NCc2ccc(Cl)cc2)c1 17068486 OQLPHKPQDZWNCX-CQSZACIVSA-N 332.900 4.682 0 50 EJAA COc1ccc(-c2cc(C(F)F)c3c(N)c(C(C)=O)sc3n2)cc1 44921505 XYFXBASSTJHEDH-UHFFFAOYSA-N 348.374 4.694 0 50 EJAA CCOc1cc(CN2CCCC2)ccc1Oc1cc(F)ccc1C 67967514 ZYQVMPQWBLGFOZ-UHFFFAOYSA-N 329.415 4.921 0 50 EJAA FC(F)(F)CCOc1c(Br)cccc1C(F)(F)F 169725669 SFGNELLYEVFULT-UHFFFAOYSA-N 337.057 4.799 0 50 EJAA Cc1ccc2nc(-c3ccc(NC(=O)c4conc4C)cc3)sc2c1 1351526424 JQBGFQSBZHWCFI-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772492758 XXSFRYVGIQYVIQ-ROBAUEJRSA-N 330.512 4.761 0 50 EJAA CCOc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 42863 PLPAJKCRFHSBJT-TZMCWYRMSA-N 328.239 4.615 0 50 EJAA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1F 46477 JYFXGIKONLHFIA-JTQLQIEISA-N 342.197 4.847 0 50 EJAA Clc1ccccc1-c1noc(-c2ccc(Br)cc2)n1 296021 RWJMMAKBLOAFTO-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2)c(C)c1 364247 NKICUOZFDGXZBT-UHFFFAOYSA-N 346.858 4.512 0 50 EJAA CCCc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1 371588 HKEXEDIIBNKERH-UHFFFAOYSA-N 326.421 4.916 0 50 EJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1 471190 IKFOAEUCGZDJGK-UHFFFAOYSA-N 337.206 4.594 0 50 EJAA Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccccc1)CCCC3 478781 DPXLWKUCXHGPNK-UHFFFAOYSA-N 331.341 4.602 0 50 EJAA Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1Cl 2865522 MQJYVMLIBNCVQY-JXMROGBWSA-N 341.867 4.941 0 50 EJAA Cc1ccc(S(=O)(=O)[C@H]2C(c3ccccc3)=Nc3ccccc32)cc1 107253735 SLVIAVIKIFHJFC-OAQYLSRUSA-N 347.439 4.644 0 50 EJAA C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 619411 MOXYDDRBTKFGNW-LBPRGKRZSA-N 339.382 4.966 0 50 EJAA Cc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1 1428916 VZIZHLKECMWUSI-OAQYLSRUSA-N 344.458 4.792 0 50 EJAA CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12 2581407 HDOIPCLEKCEANF-UHFFFAOYSA-N 334.463 4.608 0 50 EJAA in-vitro Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1 2880844 DOPWPSNAJKTDFP-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2907039 YYQHBZPYYSOYHE-KGLIPLIRSA-N 340.637 4.866 0 50 EJAA COc1ccc([C@@H](C)N(C)C(=O)c2cccc3c(C)c(C)[nH]c23)cc1 96164871 YBSRJBPPBQDKHC-OAHLLOKOSA-N 336.435 4.627 0 50 EJAA Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)c2ccc(Cl)cc2n1 216251589 MONRXNDLVPCSBS-KRWDZBQOSA-N 340.810 4.767 0 50 EJAA CCC(CC)(CC)S(=O)(=O)Cc1cccc(Br)c1C 225458814 FSYYBCPAXBRLIO-UHFFFAOYSA-N 347.318 4.641 0 50 EJAA O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 146818 HKLSQOGOFOPFCR-UHFFFAOYSA-N 349.817 4.620 0 50 EJAA COc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1 149406 AMROKPOQUCNJMD-UHFFFAOYSA-N 342.247 4.733 0 50 EJAA Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2ccccc2[nH]1 174163 XINUYYAYZXEBBB-UHFFFAOYSA-N 341.414 4.720 0 50 EJAA Cc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)o1 1200458 WIPPFINLZJWLQJ-UHFFFAOYSA-N 342.398 4.733 0 50 EJAA CCN(CC)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1598982 GUCKWJMXZIEVDV-UHFFFAOYSA-N 336.262 4.994 0 50 EJAA CCCNC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 2750371 XNKSCKHCGVGCMC-UHFFFAOYSA-N 338.234 4.712 0 50 EJAA O=Cc1ccc(OCCOc2cccc(C(F)(F)F)c2)c(Cl)c1 2866751 DKDLEDRTCYIADG-UHFFFAOYSA-N 344.716 4.629 0 50 EJAA O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 2891082 WOQAXIVJWJTGNV-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA CCCCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 2960843 NXAZTRFCFWWVCP-UHFFFAOYSA-N 326.421 4.728 0 50 EJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3cccs3)oc2C)c1 12713956 WSVGXQMJHFXMOB-CYBMUJFWSA-N 342.464 4.913 0 50 EJAA COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCCc2ccccc21 17067913 KKRDVLGBILXQHB-OAHLLOKOSA-N 330.815 4.548 0 50 EJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)cc1 36619696 WBSWUBYJAZPGFD-SFHVURJKSA-N 328.387 4.512 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c1C 333830860 LFGDFHYRGBHSRM-YJBOKZPZSA-N 346.519 4.985 0 50 EJAA CSc1ccc(CSc2cc(C)nc(-c3ccccn3)n2)cc1 480823299 DZMVYMHELMRAFW-UHFFFAOYSA-N 339.489 4.861 0 50 EJAA Cc1c(C(=O)N(C)c2ccc(C(C)(C)C)cc2)nc(O)c2ccccc12 847377121 QFCHBTLGGORZHO-UHFFFAOYSA-N 348.446 4.823 0 50 EJAA CC[C@@H](c1cccnc1)N(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 952869613 KCQPIRKVSVZFKI-SFHVURJKSA-N 342.870 4.766 0 50 EJAA CCCC[C@@H](COC)NC[C@@H](c1ccc(F)cc1Cl)C(F)F 2325855565 GLEXQTSYHHWMCG-JSGCOSHPSA-N 337.813 4.623 0 50 EJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c1C 132026 KSQIUWQPYPFJMV-UHFFFAOYSA-N 338.234 4.936 0 50 EJAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1C[C@@H]1c1ccccc1 475851 AEIJUXXVEWCNGC-CVEARBPZSA-N 338.407 4.691 0 50 EJAA Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 509753 BQEJDARZQZLIBA-UHFFFAOYSA-N 343.386 4.759 0 50 EJAA O=C(Nc1ccccc1Cl)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4955902 IZNCOMVUSQSJNF-KGLIPLIRSA-N 340.637 4.866 0 50 EJAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C2CCCC2)C1 11814129 LJUSLOSRJYQGGC-CQSZACIVSA-N 325.374 4.543 0 50 EJAA C1=CC[C@H](CN2CCN(C3CCC(c4ccccc4)CC3)CC2)CC1 19361688 BNMBNFNEQOPLIN-RBKXMNCYSA-N 338.539 4.687 0 50 EJAA Cc1nn(C)c(C)c1-c1nc2c(cnn2C(C)C)cc1-c1ccccc1 20119602 DTGGSYDKHLEUKA-UHFFFAOYSA-N 345.450 4.697 0 50 EJAA Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)cc1 20615289 JQGWEPVFESMAKW-UHFFFAOYSA-N 327.378 4.911 0 50 EJAA COc1ccc(CN2CCC[C@H](C)C2)cc1OCc1ccccc1 23282064 VFFPPSBRWWWNFP-KRWDZBQOSA-N 325.452 4.506 0 50 EJAA c1ccc(Cn2cc(-c3ncc[nH]3)c(-c3cc4ccccc4o3)n2)cc1 72462966 XNLHZFCPNOVSNU-UHFFFAOYSA-N 340.386 4.735 0 50 EJAA CN(Cc1ccc2cccc(Cl)c2n1)Cc1cc(C(C)(C)C)n[nH]1 97713586 KFIYPIJBBSLKEI-UHFFFAOYSA-N 342.874 4.541 0 50 EJAA C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1Br 379663 AEEIBMZRWSCNHT-NSHDSACASA-N 336.254 4.568 0 50 EJAA CCOC(=O)c1cc2ccccc2c(-c2ccccc2)c1C(=O)OCC 450063 VMDCGPAWPGYJSI-UHFFFAOYSA-N 348.398 4.860 0 50 EJAA Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 998831 JOLHAGZYGBJFBE-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA Cc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2[nH]1 1049552 YQLZEXUQGUMAHX-UHFFFAOYSA-N 347.443 4.755 0 50 EJAA COc1cc2c(cc1NC(=O)Cc1ccc(F)cc1)oc1ccccc12 2874633 RTUFJHLFQYSUPN-UHFFFAOYSA-N 349.361 4.915 0 50 EJAA Clc1ccc([C@H]2CN(c3nccc4occc34)CCO2)cc1Cl 71747009 JGRQRGTZWDHPBF-MRXNPFEDSA-N 349.217 4.713 0 50 EJAA CCCOc1ccc(NC(=O)N[C@@H](CC)c2cccnc2)cc1Cl 96148490 YIMILWRCKHPRNE-INIZCTEOSA-N 347.846 4.797 0 50 EJAA c1ccc(COB(OCc2ccccc2)OCc2ccccc2)cc1 169808212 IJJNTMLAAKKCML-UHFFFAOYSA-N 332.208 4.622 0 50 EJAA in-vitro Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H](C)n1cccc1 1324298993 QTTUAUDWBZAJMY-WMZOPIPTSA-N 338.476 4.519 0 50 EJAA Cc1cc(C)nc(Sc2nnc(-c3ccccc3)c3ccccc23)n1 188642 XIFHDEBNJRQXSU-UHFFFAOYSA-N 344.443 4.855 0 50 EJAA O=C(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 267320 YJOYLHFZAHHYAL-UHFFFAOYSA-N 328.371 4.676 0 50 EJAA CC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 287727 JQHNGSCLHBREIS-UHFFFAOYSA-N 330.387 4.564 0 50 EJAA O=C(/C=C/c1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 475641 GUNGIZRKOPSLHE-MDZDMXLPSA-N 339.866 4.835 0 50 EJAA CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 617608 LNLJZTDDDXPJFB-ZWKOTPCHSA-N 338.842 4.640 0 50 EJAA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)NCc2ccco2)c1 2906928 NRWGATJXNCKLQX-NRFANRHFSA-N 345.442 4.519 0 50 EJAA CCCC[C@H](CC)C(=O)O[C@H](C)C(=O)N(CCCC)CCCC 4428343 KMCZEAHLLDORIG-SJORKVTESA-N 327.509 4.563 0 50 EJAA COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CCC=C(C)C 15253754 NLNMITFNBJXRRP-XNTDXEJSSA-N 328.408 4.873 0 50 EJAA biogenic,in-vitro CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 36620308 TUMXZLJMZZQURE-GOSISDBHSA-N 328.387 4.593 0 50 EJAA CC(C)[C@@H](CSc1ccccc1)CS(=O)(=O)c1ccccc1 43762998 YMXUZQWDGRBBFP-INIZCTEOSA-N 334.506 4.525 0 50 EJAA Cc1cc([C@H]2CCCCN2C(=O)CC23CC4CC(CC(C4)C2)C3)no1 91830735 DGVLQQKWSMDMMH-WRUMOOJNSA-N 342.483 4.643 0 50 EJAA Cc1nn(C)c2nc(N3CCCCC[C@H]3c3cccc(F)c3)sc12 96162468 SVFRJDPDZPMUOI-HNNXBMFYSA-N 344.459 4.599 0 50 EJAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1cccnc1 263588637 WLNYBYZZLKSEMC-OAQYLSRUSA-N 341.414 4.655 0 50 EJAA O=C(NC[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1775975490 BLIUXXYCURSWGF-KLIQENQMSA-N 343.829 4.503 0 50 EJAA Cc1ccc(Cc2noc(-c3cccc(-c4cccs4)n3)n2)s1 1875332123 MEVOAGNSKVTYNC-UHFFFAOYSA-N 339.445 4.821 0 50 EJAA Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C)c1 59915 SVXXMMUKZOAHCZ-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA COC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3)cc12 407215 OTRZHDFJLQBGHD-UHFFFAOYSA-N 330.767 4.760 0 50 EJAA biogenic Cc1ccc(Cl)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2083820 NMZSDLXTNOLXTD-UHFFFAOYSA-N 335.659 4.596 0 50 EJAA Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 65409311 HGUUFPDEPSKCIQ-KRWDZBQOSA-N 346.434 4.885 0 50 EJAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)c2ccc(Cl)cc2n1 216251553 MONRXNDLVPCSBS-QGZVFWFLSA-N 340.810 4.767 0 50 EJAA CC[C@H]1CCCCN1C(=O)c1ccnc(N2c3ccccc3C[C@H]2C)c1 240770080 AVJMTTRNABMBFS-APWZRJJASA-N 349.478 4.569 0 50 EJAA CC(C)C1CCC([C@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 1875345312 VZZINIRRIDRNTJ-ZUEZHPSSSA-N 343.555 4.868 0 50 EJAA Cc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C(=O)O 83671 QNTZJGUJLUFVFQ-UHFFFAOYSA-N 334.730 4.811 0 50 EJAA biogenic O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2c2nc3ccccc3n21 107180 YKWULJVVXOGHSJ-XABBQPORSA-N 348.405 4.681 0 50 EJAA O=C(Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1 318047 LSCCXLKGIYZWDD-UHFFFAOYSA-N 335.378 4.586 0 50 EJAA O=C(/C=C/c1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)O 552107 MBZMPNGHYYLKTD-VAWYXSNFSA-N 349.411 4.765 0 50 EJAA Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C)c(F)c2)n1 1431861 QLVUDYRHFAUCGY-UHFFFAOYSA-N 347.397 4.623 0 50 EJAA c1ccc(C(CCN[C@@H]2COc3ccccc32)c2ccccc2)cc1 4072722 NAGLGNADMULCCZ-JOCHJYFZSA-N 329.443 4.932 0 50 EJAA CC(C)(C)[S@@](=O)OC[C@H]1CC2c3ccccc3C1c1ccccc12 4800650 MWRRWLFNSUKCMC-HOSFRTPHSA-N 340.488 4.763 0 50 EJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C4CCCC4)C3)ccc2c1 12431160 JNSVKSRNLAOUJI-LJQANCHMSA-N 337.463 4.686 0 50 EJAA C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)C(=O)CC 43762388 ANCHGALOVXDQRM-CVDLLHPYSA-N 332.484 4.659 0 50 EJAA Nc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1 95100107 LPZANDXNFFSJNE-UHFFFAOYSA-N 328.586 4.898 0 50 EJAA Cc1cccnc1[C@@H](NC(=O)c1ccc2oc(C(C)C)nc2c1)C1CC1 95511310 XSQLIRLWARQCSM-IBGZPJMESA-N 349.434 4.536 0 50 EJAA Cc1ccccc1-c1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704302954 FQYFWUHNWQMNHR-DHIUTWEWSA-N 335.491 4.789 0 50 EJAA Cc1ccc2c(c1)c1c3n2CC(=O)N([C@@H](C)c2ccccc2)[C@@H]3CCC1 190452 SVWIFMOPOCWQOQ-HRAATJIYSA-N 344.458 4.931 0 50 EJAA biogenic O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)C1CCCCC1 313120 NROOFBBBUVTGQU-UHFFFAOYSA-N 337.379 4.515 0 50 EJAA O=C(Nc1cccc(Cl)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2976790 OEIPBGWWNVVPDU-HNNXBMFYSA-N 340.637 4.794 0 50 EJAA Cc1cc(C(F)(F)F)c2c(C)nn(-c3cccc(Cl)c3)c2n1 4828254 JXWJHKGILYIBNU-UHFFFAOYSA-N 325.721 4.710 0 50 EJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC(C)(C)C 4868046 QQJIRIHHATZTHN-UHFFFAOYSA-N 349.862 4.563 0 50 EJAA CCCCSc1nc(C)c(Cc2cccc3ccccc23)c(=O)[nH]1 8769810 GDFUAWSFZJDGCM-UHFFFAOYSA-N 338.476 4.715 0 50 EJAA Cc1ccc(NC(=S)Nc2cc(-c3ccccc3)n[nH]2)cc1Cl 13543682 JWJDJPZLPIOLEG-UHFFFAOYSA-N 342.855 4.847 0 50 EJAA c1ccc(CN2CC[C@@H]([C@H](c3ccccc3)c3ccccn3)C2)cc1 101359244 BLHARDLNGUCJNB-GGAORHGYSA-N 328.459 4.736 0 50 EJAA CCOc1ccccc1[C@@H](CC)NC[C@@H](O)c1cccc(Cl)c1 775087835 RROIKMYBNIGNAX-QZTJIDSGSA-N 333.859 4.513 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1cc(Cl)ccc1Cl)C2 1704343594 KSOBUCGRGBELMT-IAGOWNOFSA-N 328.283 4.775 0 50 EJAA CCN(CC)Cc1ccccc1NCc1cccc(-c2cn[nH]c2)c1 1875349655 HPSRQDYFCOBVKP-UHFFFAOYSA-N 334.467 4.531 0 50 EJAA CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1 84856 KLMLBDOMNGIKIL-UHFFFAOYSA-N 348.431 4.712 0 50 EJAA CCc1nc2sc(C(=O)c3ccccc3)c(N)c2c2c1CCCC2 86793 HERBZEKDABIINI-UHFFFAOYSA-N 336.460 4.551 0 50 EJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)c(Cl)c1 258923 KLSAWPUBDYHAEF-UHFFFAOYSA-N 348.588 4.803 0 50 EJAA CCCCCCc1cc2c3c(c(=O)oc2cc1OC(C)=O)CCCC3 1797647 MUIVLAPQXLIOGQ-UHFFFAOYSA-N 342.435 4.720 0 50 EJAA Clc1ccc(Cl)c(SCn2cc(Br)cn2)c1 2785001 DIJAMIZJTNHTPU-UHFFFAOYSA-N 338.057 4.702 0 50 EJAA CSc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 2816849 KGKLPZKSERCZRJ-UHFFFAOYSA-N 331.506 4.897 0 50 EJAA COc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 2904803 QBIHMAHOTJKICK-UHFFFAOYSA-N 327.207 4.850 0 50 EJAA Cc1oc(-c2cccc(F)c2F)nc1CN(C)C(C1CC1)C1CC1 12193749 AGQWVGUOEOBBDY-UHFFFAOYSA-N 332.394 4.549 0 50 EJAA Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]1c1nccs1 12303912 QAIOYSVAMAGJPX-AWEZNQCLSA-N 331.466 4.505 0 50 EJAA Cc1cc(F)ccc1CN1CC[C@H](c2ccnc(-c3cccnc3)c2)C1 65407497 AUVHVPSRGIEXGK-FQEVSTJZSA-N 347.437 4.581 0 50 EJAA Clc1ccc([C@@H](c2ccccc2)n2ccnc2-c2c[nH]cn2)cc1 71721635 NZXWXCUPHHNLFB-GOSISDBHSA-N 334.810 4.564 0 50 EJAA Cc1cc(C[C@@H](C)n2ccnc2-c2ccccc2-c2ccco2)n[nH]1 72431370 QPFPAOFWFHEOBJ-OAHLLOKOSA-N 332.407 4.645 0 50 EJAA C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 101737048 BAQRJTWSAPHMNM-ASHKBJFXSA-N 326.362 4.652 0 50 EJAA O=C(/C=C/c1ccccc1)Nc1cc(Cl)ccc1Br 132383297 RUIJPFQMMFRZMP-RMKNXTFCSA-N 336.616 4.754 0 50 EJAA C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)c2ccccc2F)c2nccn21 297918920 XBNUKCMTYGUGJO-CDHQVMDDSA-N 335.426 4.602 0 50 EJAA Cc1cc(CN(C)C(=O)N[C@H](c2cccs2)C2CCCCC2)on1 584904229 AJJBGXJBNUKCDC-KRWDZBQOSA-N 347.484 4.508 0 50 EJAA COc1ccc(-c2nc(C)c(Cc3cccc(Cl)c3F)s2)nc1 1875305720 ZJFGXYXVXOQKNW-UHFFFAOYSA-N 348.830 4.905 0 50 EJAA c1ccc(CCn2c(COc3ccccc3)nc3ccccc32)cc1 56280 HNWDMKNFJLMIDC-UHFFFAOYSA-N 328.415 4.858 0 50 EJAA CCOc1ccc(CNCC2(c3ccccc3)CCCC2)cc1OC 174638 LIOOOHDVCJZSIK-UHFFFAOYSA-N 339.479 4.696 0 50 EJAA COc1ccc([C@@H](CC(=O)NC2CCCCC2)c2ccccc2)cc1 319584 RVABJCMSUQAKLU-NRFANRHFSA-N 337.463 4.666 0 50 EJAA Cc1c(C(=O)Nc2nnc(C3CCCCC3)s2)oc2ccccc12 1055722 KSIHWNXYDLURCN-UHFFFAOYSA-N 341.436 4.893 0 50 EJAA O=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 2989844 PHMNKSAWJPPRFI-UHFFFAOYSA-N 349.455 4.996 0 50 EJAA aggregator O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1F 3016817 HTUYDXOABNURSW-UHFFFAOYSA-N 347.695 4.515 0 50 EJAA Cc1nn(-c2ccc(F)cc2)c(N)c1-c1cccc(C(F)(F)F)c1 3883284 ODEUMXCRZXKWOL-UHFFFAOYSA-N 335.304 4.588 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)nc1 36646407 TULDZCDDNZYQSO-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA C=CC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 1338394085 IYQOYAVNTCHQQU-UHFFFAOYSA-N 336.160 4.505 0 50 EJAA COc1ccc(CO[C@H]2C(=O)CCCC=C3CC[C@H]2C3(C)C)cc1 1501069301 FYEFUXJOEIFKLT-UYAOXDASSA-N 328.452 4.696 0 50 EJAA Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1C 1776003043 RPUJVXGRBLFALR-UHFFFAOYSA-N 344.263 4.719 0 50 EJAA CN(C)c1nccc(Oc2ccc(-c3nc4ccccc4s3)cc2)n1 1875260062 XAXSDUDXDCWUBA-UHFFFAOYSA-N 348.431 4.612 0 50 EJAA O=c1cc(-c2cc(Cl)cc3c2OCOC3)oc2ccc(Cl)cc12 49571 HHNWTRDHNGWBEM-UHFFFAOYSA-N 349.169 4.633 0 50 EJAA biogenic O=C(c1ccc(Cl)cc1)c1ccc(OC(=O)N2CCCCC2)cc1 465946 VRBOKCBQDBUCLV-UHFFFAOYSA-N 343.810 4.556 0 50 EJAA CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 531472 KXOCFNLXACBBKO-UHFFFAOYSA-N 337.807 4.643 0 50 EJAA COc1cc(C)c2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 569876 ITVGRRCYIXHBQP-UHFFFAOYSA-N 334.293 4.796 0 50 EJAA Cc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2531729 GEBVTSWQBUIMSQ-UHFFFAOYSA-N 325.355 4.745 0 50 EJAA CCc1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 2763346 RVHPPXIAARPMOX-UHFFFAOYSA-N 339.366 4.812 0 50 EJAA CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCC(C)C 2863730 RYZWVKQXCBSJIL-KRWDZBQOSA-N 327.468 4.971 0 50 EJAA Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccs1 4421742 NRCGEBLKAFIXIF-UHFFFAOYSA-N 336.416 4.561 0 50 EJAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCC1 4842236 YETWTEDKONXHTI-UHFFFAOYSA-N 333.391 4.532 0 50 EJAA Cc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1C 5060268 OXYJFAZQWLNRBR-UHFFFAOYSA-N 332.241 4.751 0 50 EJAA CCc1c(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)csc1C 13809663 MMCWLAUYJWFLFH-INIZCTEOSA-N 328.525 4.638 0 50 EJAA C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 17067187 OPRZMNMSKRRJBT-BDJLRTHQSA-N 328.283 4.745 0 50 EJAA COc1cc(CNc2cc(-c3ccccc3)ccc2OC)cc(OC)c1 23283450 MFFGANHGVCKDFL-UHFFFAOYSA-N 349.430 4.992 0 50 EJAA O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCCCCC2)cc1 38853620 HGZFDVUOQCKWSM-UHFFFAOYSA-N 344.405 4.593 0 50 EJAA COc1cc(NC(=O)C2(c3cccs3)CCCCC2)cc(OC)c1 170634141 GKJBXNAJYDIHKD-UHFFFAOYSA-N 345.464 4.606 0 50 EJAA C[C@H]1CCCN(c2nc(-c3ccccc3)c3ccc(Cl)cc3n2)C1 240900717 ITKZBOWZRKDSPD-AWEZNQCLSA-N 337.854 5.187 0 50 EJAA Cc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccccc1 103933 FSBPCZWNLMRHIE-UHFFFAOYSA-N 341.414 4.645 0 50 EJAA O=C(CSc1nc2ccccc2o1)Nc1ccc2ccccc2c1 350432 OAUXJXJFRIIKSD-UHFFFAOYSA-N 334.400 4.712 0 50 EJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 562762 ULOIHBIBKLJZHH-VIFPVBQESA-N 327.783 4.738 0 50 EJAA O=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 572091 YRRBTQQCYGGWER-UHFFFAOYSA-N 343.593 4.687 0 50 EJAA CC(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3)n2)c1 2860567 JFOUDUSFWKUQAC-UHFFFAOYSA-N 327.384 4.651 0 50 EJAA Cc1cc(N(C)C)cc(C)c1NC(=O)c1scnc1C1CCCC1 185247586 BPXFCIZHTXMCED-UHFFFAOYSA-N 343.496 4.736 0 50 EJAA COc1cccc(CO[C@@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c1 221673501 TUBWQLBEFSFOMZ-FCRVUTKVSA-N 336.884 4.783 0 50 EJAA C[C@@]1(c2ccccc2)Nc2ccccc2-c2nc(-c3ccccc3)nn21 240244236 DLDCBSFVQPITLF-JOCHJYFZSA-N 338.414 4.759 0 50 EJAA CCCCSCc1cc(C(=O)N(C)[C@H](C)c2ccccn2)oc1C 1506424986 ALZNJFZWPTYVRV-CQSZACIVSA-N 346.496 4.850 0 50 EJAA COC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3F)cn2)c1 2356163977 ZBYDAYRODTYHLW-UHFFFAOYSA-N 340.329 4.557 0 50 EJAA CCOC(=O)c1sc2ncnc(Nc3cccc(Cl)c3)c2c1C 98350 RCJCWWMBDNXLHB-UHFFFAOYSA-N 347.827 4.573 0 50 EJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(OC(C)C)cc2)c1 144450 WVZQAEFEOUSZCQ-UHFFFAOYSA-N 341.451 4.923 0 50 EJAA CCc1cccc(CC)c1NC(=O)c1ccccc1Br 145138 XUIXKSAWKVGVDQ-UHFFFAOYSA-N 332.241 4.826 0 50 EJAA Clc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1 149812 OFTMIYIWFUKDSK-UHFFFAOYSA-N 346.821 4.957 0 50 EJAA Cc1ccccc1Nc1nc(-c2cc3ccccc3oc2=O)cs1 313953 IGYRJJQNIUTGEU-UHFFFAOYSA-N 334.400 4.969 0 50 EJAA Cc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 396266 CCUAUPRDUUYEBX-OAQYLSRUSA-N 330.383 4.776 0 50 EJAA O=C(CCSc1ccc(Br)cc1)c1ccc(O)cc1 2519802 XKRQCXFHCLCIBC-UHFFFAOYSA-N 337.238 4.520 0 50 EJAA O=C(OCc1cccc(F)c1)c1c2c(nc3ccccc13)CCCC2 3105033 JZEWCGAZPDRVDT-UHFFFAOYSA-N 335.378 4.610 0 50 EJAA CCOC(=O)c1sc(SC(C)C)c2c1CC(C)(C)CC2=O 4284546 MKYKSCSPJSZFRF-UHFFFAOYSA-N 326.483 4.580 0 50 EJAA Cc1ccc(Cc2cnc(NC(=O)c3cc(C)oc3C)s2)cc1 7990483 LJSMJVLXBFLTHU-UHFFFAOYSA-N 326.421 4.504 0 50 EJAA Cc1cc(OC(F)F)ccc1NC(=O)Nc1ccc(F)cc1F 17067184 VGBMKYVPIGFMAF-UHFFFAOYSA-N 328.265 4.519 0 50 EJAA Cc1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 20166845 QABLTKMPCIUMRR-QZTJIDSGSA-N 333.516 4.561 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)cc(C)c2)no1 64984657 WQSGYMJGZSXKKV-GOSISDBHSA-N 327.428 4.613 0 50 EJAA Clc1cccc2ccc(-c3nccn3CC[C@@H]3CCCCO3)nc12 1857695924 FEKLFYAOOSOMPO-HNNXBMFYSA-N 341.842 4.711 0 50 EJAA O=C(CC[C@@H]1CCCOC1)Oc1ccc(-c2cccnc2)cc1Cl 2325760299 AUAJEJUXCBAQQC-AWEZNQCLSA-N 345.826 4.514 0 50 EJAA COc1ccc(OC)c(-c2nc3ccccc3nc2-c2ccccc2)c1 260773 VDQIONNGXRXRQK-UHFFFAOYSA-N 342.398 4.981 0 50 EJAA C[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2Cl)c1 2750712 FXWNSRDURXATQD-HNNXBMFYSA-N 343.854 4.934 0 50 EJAA O=C(CSCc1c(F)cccc1Cl)Nc1ccc(F)cc1F 2870642 OFIGMVWFFWDLQU-UHFFFAOYSA-N 345.773 4.629 0 50 EJAA CC(C)(C)c1ccc(OCCOC(=O)Nc2ccc(F)cc2)cc1 3086128 WPSXFZGWFJPVMG-UHFFFAOYSA-N 331.387 4.751 0 50 EJAA COc1ccccc1Nc1nc(-c2c(C)nc3ccccn23)cs1 4125593 ILKSGPGCWWKYTM-UHFFFAOYSA-N 336.420 4.518 0 50 EJAA CC(C)(C)c1ccc(C2=N/C(=C\C=C/c3ccccc3)C(=O)O2)cc1 4793841 MXTGPXDCCIJKAT-KMAMYUHFSA-N 331.415 4.885 0 50 EJAA O=C(O)c1ccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 4868592 ASEQUUZPUHVCLM-UHFFFAOYSA-N 341.794 4.588 0 50 EJAA Brc1cccc(-c2noc(CSc3ccccc3)n2)c1 6730348 RXHYLBRRCYHQIY-UHFFFAOYSA-N 347.237 4.791 0 50 EJAA Cc1ccc2oc(C(=O)N(C)Cc3cccc4cccnc34)c(C)c2c1 12300085 KSRVBKHNRGTQJU-UHFFFAOYSA-N 344.414 4.870 0 50 EJAA Cc1c(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cnn1C 13961039 BNAFECJKLGPZSC-UHFFFAOYSA-N 339.251 4.902 0 50 EJAA COc1ccccc1-c1cccc(-c2ccn(Cc3cc(C)on3)n2)c1 20538517 GIXCXNHSAKECHL-UHFFFAOYSA-N 345.402 4.570 0 50 EJAA Cc1nn(C)c(Cl)c1-c1c(-c2ccccc2)ncn1C1CC=CC1 65396756 RJAXMCCQQAPPNW-UHFFFAOYSA-N 338.842 4.804 0 50 EJAA c1ccc(-c2ccc(CN3CCC(c4ccncc4)CC3)cc2)nc1 72477144 RWEIWSLSTGFFHJ-UHFFFAOYSA-N 329.447 4.523 0 50 EJAA COc1cc(Br)cc(Cl)c1OCc1ccccc1 74937852 PSGRAIZMYQRZSL-UHFFFAOYSA-N 327.605 4.690 0 50 EJAA O=C(c1sc2ccccc2c1Cl)N1CC[C@@H](c2ccccn2)C1 225600061 QNHJOJIOLFUPPX-GFCCVEGCSA-N 342.851 4.579 0 50 EJAA O=C(Nc1ccccc1NC(=O)c1ccoc1C1CC1)c1ccccc1 390833939 PEKPHDURHYRKOQ-UHFFFAOYSA-N 346.386 4.662 0 50 EJAA Cc1nc2ccccc2n1CCCCCN(C)C(C1CC1)C1CC1 408516946 QSKOLKAFVSKFMH-UHFFFAOYSA-N 325.500 4.635 0 50 EJAA COc1ccc([C@H]2CCCN(C(=O)C3CCC4(CCC4)CC3)C2)cc1 1875333530 AENOTZUKOBNIFR-IBGZPJMESA-N 341.495 4.762 0 50 EJAA CCOc1cccc(=O)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12 54455 PTQJXFLYSQXYEP-UHFFFAOYSA-N 341.838 4.719 0 50 EJAA in-vitro CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)cc1C 145189 HOMWDDHZBDHSNN-UHFFFAOYSA-N 331.843 4.791 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(F)cc1 176010 YKAGLLQPIHHRDC-UHFFFAOYSA-N 348.333 4.592 0 50 EJAA O[C@@H](COc1ccc(Cl)cc1)CSCc1ccc(Cl)cc1 300432 KGCRSQDWRXBLBW-HNNXBMFYSA-N 343.275 4.667 0 50 EJAA COc1ccc(-c2nnc(Nc3ccccc3O)c3ccccc23)cc1 449507 AXYNCFYVVYMKSK-UHFFFAOYSA-N 343.386 4.755 0 50 EJAA C[C@@H](c1ccccc1)n1cnc2cc(NC(=O)c3cccs3)ccc21 614261 CNZQAIAPXZMPMT-AWEZNQCLSA-N 347.443 4.959 0 50 EJAA CC(C)(c1ccc(C=O)o1)c1ccc(C(C)(C)c2ccc(C=O)o2)o1 1618069 PDHONJAMSMZDIB-UHFFFAOYSA-N 340.375 4.742 0 50 EJAA COc1ccc(OCCCC(=O)Nc2ccc3ccccc3c2)cc1 1778301 TUNKMUXFHRTQMT-UHFFFAOYSA-N 335.403 4.646 0 50 EJAA COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 2546565 LQAYLAGDOWZEOS-VQHVLOKHSA-N 335.325 4.674 0 50 EJAA C[C@@H](NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccccc1 11904175 KFELMZYCZIVOKG-CQSZACIVSA-N 347.443 4.554 0 50 EJAA O=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 22781623 QUVSDQMSXPVLJB-FGZHOGPDSA-N 327.427 4.885 0 50 EJAA Oc1c(Sc2ccccc2)c(C(F)(F)F)nn1-c1ccccc1 101075641 HCYXEOUPPZXLBN-UHFFFAOYSA-N 336.338 4.748 0 50 EJAA C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 101703427 XBIOQKJAUYGCAY-SQBLYHGDSA-N 333.475 4.759 0 50 EJAA CCC(CC)[S@](=O)Cc1ccc(OC)c(SC(F)(F)F)c1 170643315 ISNLDBVUDAFPSI-OAQYLSRUSA-N 340.432 4.744 0 50 EJAA CCC[C@@H]1OC[C@@]2(COC(=O)c3ccccc3)[C@H](C)C=C(C)[C@H]1[C@H]2C 251156917 NXYZFNXQKYPHHD-AMVAKQTESA-N 342.479 4.877 0 50 EJAA O=C(Nc1ccc(-c2ccco2)cc1)c1ccncc1C(F)(F)F 253394931 QECGEWYTSSYFIM-UHFFFAOYSA-N 332.281 4.613 0 50 EJAA CC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1 253406987 JKXPWDWUHQNTSR-GOSISDBHSA-N 338.455 4.714 0 50 EJAA Cc1noc(C(C)C)c1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 932848938 WPKALRNHYKDANF-CTYIDZIISA-N 347.846 4.828 0 50 EJAA CCOc1cc([C@@H]2Nc3ccccc3C(CC)(CC)O2)ccc1O 54351 PEZZIPUWNQQLKD-LJQANCHMSA-N 327.424 4.947 0 50 EJAA O=c1oc2cc(OCc3ccccc3)c(Cl)cc2c2c1CCC2 278311 HEGRSHXYQKVCOC-UHFFFAOYSA-N 326.779 4.514 0 50 EJAA FC(F)(F)c1cc(-c2cccs2)nc(-n2cnc3ccccc32)n1 426668 RFLCUAUTHCFTAP-UHFFFAOYSA-N 346.337 4.563 0 50 EJAA CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 460706 NFRPCUGPCWAAFU-LFYBBSHMSA-N 342.826 4.586 0 50 EJAA CC(C)N(Cc1ccccc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 463004 QQMOJICKKQMORC-UHFFFAOYSA-N 345.870 4.935 0 50 EJAA c1ccc(Cc2ccc(OCCn3cnc4ccccc43)cc2)cc1 527831 BLAISEDTHHUALY-UHFFFAOYSA-N 328.415 4.706 0 50 EJAA COc1ccc(-c2nn(-c3ccccc3)c3nc(C)cc(C)c23)cc1 620248 YADPYVGIBWSHQB-UHFFFAOYSA-N 329.403 4.713 0 50 EJAA Cc1ccc([C@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1C 1055547 OXZPHYWXQKNMSW-HNNXBMFYSA-N 334.419 4.758 0 50 EJAA CCCCc1cc(=O)oc2c(C)c(OC(=O)C3CCCCC3)ccc12 1806211 WYZKNEOJXVWZGV-UHFFFAOYSA-N 342.435 4.930 0 50 EJAA O=C(Nc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1-2 4989754 DMVFIBJLCNHZEW-UHFFFAOYSA-N 333.774 4.804 0 50 EJAA CC(C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12246252 MCILGKIXFGOKMZ-KRWDZBQOSA-N 347.462 4.592 0 50 EJAA Cc1ccccc1CN1CCC(CCC(=O)Nc2ccccc2)CC1 12385517 HIBQOHPIJSCWCH-UHFFFAOYSA-N 336.479 4.626 0 50 EJAA Cc1cc(NCc2ccccc2)n2ncc(-c3ccccc3Cl)c2n1 23114939 PQKFEZUGDLJWKJ-UHFFFAOYSA-N 348.837 4.970 0 50 EJAA CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2cccc3c(C)c(C)[nH]c23)C1 67677897 BXQVVVGQFVWTBM-UWVAXJGDSA-N 342.483 4.556 0 50 EJAA C[C@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1cnccn1 119183621 IHOZGPTZRJMATD-CABCVRRESA-N 337.398 4.820 0 50 EJAA C[S@](=O)c1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1 121647809 WJVZBOREZIFIBL-XMMPIXPASA-N 347.386 4.574 0 50 EJAA CC(C)c1cc([C@H]2CCCN2Cc2cncn2C2CCCCC2)no1 244584337 CXMFVFXMQKAYMR-LJQANCHMSA-N 342.487 4.837 0 50 EJAA Cc1ccc(CSc2nc(N)c3c4c(sc3n2)CCC4)c(C)c1 73365 OCBGSQZAPPBIGM-UHFFFAOYSA-N 341.505 4.671 0 50 EJAA O=C(Nc1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl 456684 IGKPCNQTSKQQDL-UHFFFAOYSA-N 344.625 4.574 0 50 EJAA O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1 1011100 JQPQEKTZQFEFMD-DHDCSXOGSA-N 347.798 4.716 0 50 EJAA O=C(CCSc1ccc(F)cc1)c1ccc(Br)cc1 2531683 NHUHOSJSMLQAKA-UHFFFAOYSA-N 339.229 4.953 0 50 EJAA C[C@H](Cc1cccc(C(F)(F)F)c1)NCCc1c[nH]c2ccccc12 23279949 GJHPMNWDFONTSR-CQSZACIVSA-N 346.396 4.950 0 50 EJAA Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccccc2)c1 170615250 KGDSMYCZTAICEY-LJQANCHMSA-N 330.387 4.580 0 50 EJAA C[C@H](C(=O)Nc1cccc2ccccc12)N1CC[C@@H](c2ccccc2)C1 229789382 RPHWWOWWZLDZEY-YLJYHZDGSA-N 344.458 4.656 0 50 EJAA O=C(C[C@@H]1CCCC1(F)F)Nc1n[nH]c(C2CC2)c1-c1ccccc1 828300639 ZXNWELQLWCTIPA-AWEZNQCLSA-N 345.393 4.718 0 50 EJAA FC(F)c1nc(-c2ccc(N3CCCCC3)cc2)n(C2CCCC2)n1 1875340630 LEVUKMVTMPQTLD-UHFFFAOYSA-N 346.425 4.988 0 50 EJAA COc1cc(CO)cc(Cl)c1OCc1cccc2ccccc12 461410 JWWXVTWLECMOAP-UHFFFAOYSA-N 328.795 4.573 0 50 EJAA Cc1ccc(CSc2nc3c(c(NC4CC4)n2)CCCC3)cc1 1393088 WFCADMDLKQZUPC-UHFFFAOYSA-N 325.481 4.530 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 2054769 XZGLRWOUJCXTDZ-UHFFFAOYSA-N 342.197 4.930 0 50 EJAA O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1ccccn1 6703789 XMTDCJRKXQARQM-UHFFFAOYSA-N 330.412 4.741 0 50 EJAA Cc1ccccc1-c1cc(C(=O)O)c2ccc(Br)cc2n1 6861257 OGDSVVIPGYAVFB-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 12138256 OEKFGJXOOUDYJY-UHFFFAOYSA-N 338.451 4.544 0 50 EJAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(CN2CCCC2)cc1 13325226 OUZNNXBIMBVIRF-UHFFFAOYSA-N 343.858 4.888 0 50 EJAA O=C(NCCc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 13327877 NSKAGHIBCGPLDS-UHFFFAOYSA-N 328.626 4.619 0 50 EJAA C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCc1c[nH]c2ccccc12 23279946 GJHPMNWDFONTSR-AWEZNQCLSA-N 346.396 4.950 0 50 EJAA COc1ccc(Br)cc1COc1ccc(Cl)cc1 70245625 LVLBAPWHXOLIEE-UHFFFAOYSA-N 327.605 4.690 0 50 EJAA C[C@H]1CCCCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 170598800 YUEYDLABPLJROX-KBPBESRZSA-N 327.390 4.848 0 50 EJAA CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2Br)C1 238090540 ITRBRONTRUBWCP-LBPRGKRZSA-N 340.261 4.564 0 50 EJAA Cc1nc(C(F)(F)F)c(CN2CC(C)(C)[C@H]2c2cccs2)s1 241139448 JQZZMPLYMIKOFY-CYBMUJFWSA-N 346.443 5.115 0 50 EJAA C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccsc1 669864734 DBJOXGFXNYVCNI-QWRGUYRKSA-N 325.886 4.760 0 50 EJAA Cc1ccc(-c2nnc(SCC3([C@@H]4CCCCO4)CC3)o2)c(C)c1 1875281114 PVKZZLHEJKWJFK-INIZCTEOSA-N 344.480 4.795 0 50 EJAA CCCc1c2c(nn1-c1ccccc1F)C[C@@H](c1ccccc1)CC2=O 111205 QGFBOLHMTMRFTJ-MRXNPFEDSA-N 348.421 4.877 0 50 EJAA O=C(N[C@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 158324 HLHWLASXUWHLRM-CYBMUJFWSA-N 328.626 4.528 0 50 EJAA CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(C)=O 260553 BWARYGHRIRQXMS-UHFFFAOYSA-N 349.257 4.943 0 50 EJAA in-vitro CC(C)(C)c1cc(Cn2nnc3ccccc32)cc(C(C)(C)C)c1O 392162 GWSPSHZOUXLFPN-UHFFFAOYSA-N 337.467 4.780 0 50 EJAA CCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 453395 IUIYZOPQYFOCOA-UHFFFAOYSA-N 329.252 4.779 0 50 EJAA Cc1cccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c1 468025 YXBSCBUNVWKUEE-UHFFFAOYSA-N 329.484 4.868 0 50 EJAA O=C(OCc1c(F)cccc1Cl)c1ccccc1Br 616076 ZTHNQSRBNTWGCC-UHFFFAOYSA-N 343.579 4.599 0 50 EJAA COC(=O)c1cc(-c2ccc(SC)cc2)n(C2CCCCC2)n1 2527273 VWRRCWBPCLKKTA-UHFFFAOYSA-N 330.453 4.564 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C 2764700 FVUXMUSUZSCIKM-QGZVFWFLSA-N 333.431 4.713 0 50 EJAA Cc1ccccc1-c1cc(C(=O)n2cccn2)c2cc(Cl)ccc2n1 2867572 LGNYEVSVKAXBIW-UHFFFAOYSA-N 347.805 4.749 0 50 EJAA CC(C)(C)c1cc(Nc2ccncc2)n2ncc(-c3ccccc3)c2n1 8657902 MQTSFEBDZIHFFB-UHFFFAOYSA-N 343.434 4.832 0 50 EJAA c1ccc(C(c2ccccc2)c2noc(-c3ncoc3C3CC3)n2)cc1 20210996 IQQQSLPNAPTGIM-UHFFFAOYSA-N 343.386 4.782 0 50 EJAA CCCN(Cc1ccc(OCc2ccccc2)c(OC)c1)CC1CC1 23281237 LYZSWUFQMAGINW-UHFFFAOYSA-N 339.479 4.896 0 50 EJAA C[C@H]1CC[C@@H]2CC(=O)[C@@]3(C)C=CC[C@H]3[C@@]2(C)[C@@H]1CCC1(C)OCCO1 71786284 LBLHUWSRAPAKNS-NXEFMFLDSA-N 346.511 4.753 0 50 EJAA Cc1nc(CN(C)C(=O)c2csc(C)c2-c2ccccc2)cs1 217142028 ZWKKVFPNDHFTIH-UHFFFAOYSA-N 342.489 4.761 0 50 EJAA c1ccc2cc(CN3CCN4CCC[C@H]4[C@H]3C3CCCCC3)ccc2c1 239310416 IKAFQONNWBCPOP-BJKOFHAPSA-N 348.534 5.069 0 50 EJAA ClC1(Cl)[C@@H]2C[C@@H]3[C@H]([C@@H]4[C@@H]([C@@H]21)C4(Cl)Cl)C3(Cl)Cl 239339255 LXFGXVWBHKKGFX-ZGGPPPIHSA-N 340.892 4.650 0 50 EJAA c1ccc(-c2ncco2)c(-c2ccc(OC[C@H]3CCCCO3)cc2)c1 871073786 KOIXKHRSDUOZGI-GOSISDBHSA-N 335.403 4.957 0 50 EJAA COc1ccc(OC)c(-c2c(CCC(C)=O)c(C)nc3ccccc23)c1 952970918 QFNGNAFMCYKSDK-UHFFFAOYSA-N 349.430 4.749 0 50 EJAA O=C(Nc1ccccc1)Nc1ccc(Oc2ncncc2Cl)cc1 1875264950 CWTZULDMUNZIBI-UHFFFAOYSA-N 340.770 4.566 0 50 EJAA CCOC(=O)N1CCCc2ccc(NC[C@@H]3CCC[C@H](F)C3)cc21 2325874593 SQBOJBZIWBHCQC-ZBFHGGJFSA-N 334.435 4.536 0 50 EJAA CCCC[C@@H](CC)CNC(=O)COc1cc(C)c(Cl)c(C)c1 1750495 AOSOOJVADHHKEY-OAHLLOKOSA-N 325.880 4.668 0 50 EJAA CCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 2843673 XHGKYGMUTQPQOL-UHFFFAOYSA-N 336.391 4.691 0 50 EJAA CCOc1ccccc1OCCCOc1cccc(C(F)(F)F)c1 4701796 LHPBOMYVTSUGKA-UHFFFAOYSA-N 340.341 4.952 0 50 EJAA Cc1c([C@H](C)NCc2cccc(Cl)c2)cnn1-c1ccccc1 12710095 BCMIAPXOEBTJCQ-AWEZNQCLSA-N 325.843 4.685 0 50 EJAA COc1ccc2nc(S[C@@H](C)C(=O)c3cccc(Cl)c3)[nH]c2c1 147821215 CWKDQVITTAMHQI-JTQLQIEISA-N 346.839 4.588 0 50 EJAA COc1ccc([C@@H](Nc2ncnc3ccccc23)c2ccccc2)cc1 170591712 WZTTYVCMGOLYLG-NRFANRHFSA-N 341.414 4.840 0 50 EJAA CC1(C)CC[C@H](N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 1258601790 DXLNUJBSSIDMOY-INIZCTEOSA-N 341.417 4.568 0 50 EJAA O=C(NCC1(Cc2cccc(Cl)c2)CC1)N1CCCC2(CCC2)C1 1875342298 JYIDVHVXMFZNSC-UHFFFAOYSA-N 346.902 4.638 0 50 EJAA COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1Cl 94909 WALLREHNIRSAJO-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)NC1CCCCC1 261038 ZWJHXOWIJBMOKO-UHFFFAOYSA-N 328.456 4.739 0 50 EJAA Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 423591 PHHJLPOELHPMTE-UHFFFAOYSA-N 330.746 4.695 0 50 EJAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccccc3F)nc2c1 444392 DTJZKOOGAYWMEN-CSKARUKUSA-N 348.333 4.879 0 50 EJAA CCCCOCCCNC(=O)CC(c1ccccc1)c1ccccc1 2991590 CVTWWLPWBHWBNA-UHFFFAOYSA-N 339.479 4.532 0 50 EJAA C/C=C/c1c(F)c(F)c(Oc2ccc(C(=O)O)cc2)c(F)c1F 4986196 JPLMUUCPIHXJTA-NSCUHMNNSA-N 326.245 4.767 0 50 EJAA COc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c1 15866961 FMNVAFDAVHJWJG-MRXNPFEDSA-N 330.453 4.906 0 50 EJAA Cc1noc(C)c1CN1CCCC(c2ccccc2)(c2ccccc2)C1 95517689 QMVGTQHMDIBMNJ-UHFFFAOYSA-N 346.474 4.874 0 50 EJAA COc1ccccc1-c1cccc(NC(=O)c2cccc(F)c2F)c1 110925913 GTFQCLQHWBJMKW-UHFFFAOYSA-N 339.341 4.893 0 50 EJAA O=C(Cc1cccc(F)c1)Nc1c(F)cc(F)cc1-c1ccccc1 124436762 HJHPBFGSINNCHM-UHFFFAOYSA-N 341.332 4.952 0 50 EJAA C[C@H](Sc1ccc(O)cc1)c1nnc(-c2ccccc2F)s1 170600470 MRTCJRHIZKFTSJ-JTQLQIEISA-N 332.425 4.903 0 50 EJAA CCc1ccc2oc(C(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c2c1 334162053 IVJJFHOKAARBFO-UHFFFAOYSA-N 347.370 4.662 0 50 EJAA O=C(NC[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1775975491 BLIUXXYCURSWGF-PIKADFDJSA-N 343.829 4.503 0 50 EJAA O=C(NC[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 1775975492 BLIUXXYCURSWGF-VLQPXKRTSA-N 343.829 4.503 0 50 EJAA CC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 90977 KOYRPWCJHWSCQR-UHFFFAOYSA-N 337.286 4.809 0 50 EJAA O=C(Nc1cc(Br)ccc1O)c1cccc2ccccc12 206985 JFVYKBGYXDRPLX-UHFFFAOYSA-N 342.192 4.560 0 50 EJAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(Cl)c1 1382835 VFMZOWHFOARGLN-UHFFFAOYSA-N 335.790 4.823 0 50 EJAA COc1cccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)c1 71375370 WHWRLHPKPSRKPH-UHFFFAOYSA-N 335.794 4.725 0 50 EJAA O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 71769576 PWHFIZFIFPLEOA-UHFFFAOYSA-N 343.597 4.609 0 50 EJAA COc1cccc2ccc(N3CCC(Oc4ccccc4C)CC3)nc12 95497129 HXFPRLJDYKTMMA-UHFFFAOYSA-N 348.446 4.600 0 50 EJAA CSc1ccc(NCc2noc(-c3ccccc3C)n2)cc1F 134001463 XRRBELFXBXVQGC-UHFFFAOYSA-N 329.400 4.518 0 50 EJAA Cc1ccccc1[C@@H](Sc1nc(CO)cs1)c1ccccc1 1307404879 YSARPPOFCICWRT-KRWDZBQOSA-N 327.474 4.826 0 50 EJAA C[C@@H](CCc1nccs1)N[C@@H](C)c1cn(C)c2cc(Cl)ccc12 1875388204 QNBTZKLMYMWIHK-STQMWFEESA-N 347.915 4.960 0 50 EJAA O=C(c1ccc2ccccn12)N1CCC[C@H]1c1nc2ccccc2s1 2356170789 QYFZROMEIOZHHA-INIZCTEOSA-N 347.443 4.526 0 50 EJAA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(F)cc1Cl 111952 MNBCWUARJKSYPG-CQSZACIVSA-N 338.806 4.623 0 50 EJAA COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 265168 IAVRSLAYOVTONM-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA COc1ccc(OC)c(NC(=O)Oc2cc(C)ccc2C(C)C)c1 400303 JRYAVRCMTRVWFO-UHFFFAOYSA-N 329.396 4.747 0 50 EJAA Cc1c([C@@H](C)NCc2ccccc2Cl)cnn1-c1ccccc1 12704483 GWLTYQRVWIREDS-CQSZACIVSA-N 325.843 4.685 0 50 EJAA Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1N 139945354 XOULWKLERMPLGV-UHFFFAOYSA-N 328.721 4.502 0 50 EJAA C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@H]2c2nccs2)o1 257365069 DWVHNQYVENTWOU-BMFZPTHFSA-N 344.480 4.546 0 50 EJAA O=C(Nc1ccc(O)cc1Cl)c1cccnc1SC1CCCC1 1875267944 MKCJXMZUUKOYHO-UHFFFAOYSA-N 348.855 4.728 0 50 EJAA COc1cc(NC(=S)Nc2cccc3ccccc23)cc(OC)c1 611932 AMGAQQFTIIQOLD-UHFFFAOYSA-N 338.432 4.666 0 50 EJAA CC(C)OC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 2842983 GKVMRFXSZUUSHG-UHFFFAOYSA-N 347.414 4.586 0 50 EJAA Cc1ccc(NC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 6922996 ZRLHSFHJWGNFQB-UHFFFAOYSA-N 329.709 4.706 0 50 EJAA O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl 25762391 RSKMJAFPWSZYCB-UHFFFAOYSA-N 333.174 4.544 0 50 EJAA Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2cnn(C)c2)c(C)c1 65468859 HEHDSMVXQPVAEQ-UHFFFAOYSA-N 342.446 4.616 0 50 EJAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 100572515 MDUNPKZOBHMOBW-CBPXPLCBSA-N 342.571 4.708 0 50 EJAA C[C@@H]1[C@@H](N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCC[C@H]1C 239203381 SFZFJLNLICHCTF-XKPGHWPRSA-N 348.490 4.756 0 50 EJAA C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1nc(C2CCCCC2)no1 329602105 FOJPOSMSMWFVOB-WBAXXEDZSA-N 325.456 4.572 0 50 EJAA CCCC[C@H](c1cccnc1)N(C)C(=O)COc1ccc(Cl)cc1 952871715 CEJSESQAFGBSAI-GOSISDBHSA-N 346.858 4.504 0 50 EJAA Cc1sc(C)c2sc(C(=O)N3CC(F)(c4ccccc4)C3)cc12 1875407726 GRWJUDGBCPFCHF-UHFFFAOYSA-N 345.464 4.900 0 50 EJAA COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 291673 PSIOHXDQQZMKGE-UHFFFAOYSA-N 344.370 4.756 0 50 EJAA CCOc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 300716 VHEFYIAPZLQTLU-UHFFFAOYSA-N 329.446 4.670 0 50 EJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 474394 HKAVWZFEFHLUMR-SNVBAGLBSA-N 343.732 4.765 0 50 EJAA COc1ccccc1OCCn1cc(C(=O)C(C)C)c2ccccc21 560890 VFUIGWSHTLVJFQ-UHFFFAOYSA-N 337.419 4.568 0 50 EJAA COc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1 572627 PZWQZBJQGIBBSN-UHFFFAOYSA-N 332.378 4.899 0 50 EJAA C/C=C/c1ccc(OCCCCOc2ccc(C=O)cc2)c(OC)c1 2986790 VGJJGDJHQCJQFS-ZZXKWVIFSA-N 340.419 4.779 0 50 EJAA CCC(=O)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 4842606 HBXPHXYZKKHSBI-UHFFFAOYSA-N 338.190 4.561 0 50 EJAA CC(C)C(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 9231706 QWTTVWCWYSZBMO-UHFFFAOYSA-N 331.803 4.579 0 50 EJAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(CC(C)C)C2 15004102 MAOROZMHUHLHIU-UHFFFAOYSA-N 331.481 4.583 0 50 EJAA Cc1ccc(S[C@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 55554141 CBOKMJAJUZMGEO-OAHLLOKOSA-N 325.477 4.993 0 50 EJAA COc1ccc(C)cc1Nc1nc(C(F)(F)F)nc2ccccc12 72240712 XCUHOHIJGROQFU-UHFFFAOYSA-N 333.313 4.709 0 50 EJAA CC(C)c1noc([C@@H]2CCCN2Cc2ccccc2-c2ccco2)n1 77288088 WOYYGUBJHSEEBU-KRWDZBQOSA-N 337.423 4.790 0 50 EJAA CC(C)=C1[C@H]2CC[C@H]1C1=C2[C@@H]2C[C@H](S(=O)(=O)c3ccccc3)[C@@H]1C2 216472720 HZQZDBCTWMOUSK-IASZTOCISA-N 340.488 4.542 0 50 EJAA Clc1ccccc1[C@H]1CCCN1c1nnc(-c2ccccn2)s1 225585238 DYXIDZCUKZCZKO-OAHLLOKOSA-N 342.855 4.595 0 50 EJAA Clc1ccc2c(c1)C[C@H](NCc1cccc(CC3CCC3)c1)C2 1474292581 MTRDIASMOPQDTL-OAQYLSRUSA-N 325.883 4.940 0 50 EJAA COc1ncccc1[C@@H](C)Nc1ccc(-c2cn3ccccc3n2)cc1 1875329001 XBWJERXDMAFFEE-OAHLLOKOSA-N 344.418 4.578 0 50 EJAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccco1 293818 CWMMQIHHDLMBAQ-UHFFFAOYSA-N 336.372 4.514 0 50 EJAA Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Br 452642 HSQBLNLCNBYUOE-RUDMXATFSA-N 334.188 4.549 0 50 EJAA Cc1ccc2[nH]cc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c2c1 2241164 LAKGMAYEECMGEJ-UHFFFAOYSA-N 334.463 4.746 0 50 EJAA Cc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2F)c1 2506080 ITURUOLDLYYIMV-VMPITWQZSA-N 334.188 4.549 0 50 EJAA Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1 15839899 JVBBQGFMGOULOR-LJQANCHMSA-N 336.822 4.563 0 50 EJAA CCc1cc(C(F)(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 20604298 LIRTUGLIVCQJQK-UHFFFAOYSA-N 331.341 4.879 0 50 EJAA Cn1ccnc1Cn1cnc(-c2ccccc2)c1-c1ccc(Cl)cc1 65375294 NRXJCLRLJCDPGL-UHFFFAOYSA-N 348.837 4.652 0 50 EJAA c1ccc([C@H](Cn2ccnc2-c2cccnc2)N2CCCCCC2)cc1 71747019 JWVCZFJLQHSLCT-NRFANRHFSA-N 346.478 4.562 0 50 EJAA Cc1cccc(C)c1-c1cc(NCc2ccncc2)nc2[nH]ccc12 72165816 XZPXDMVZMVVKJZ-UHFFFAOYSA-N 328.419 4.854 0 50 EJAA CC[C@H]1CCCCN1C(=O)c1ccnc(N2c3ccccc3C[C@@H]2C)c1 240770082 AVJMTTRNABMBFS-LPHOPBHVSA-N 349.478 4.569 0 50 EJAA CC(C)(CC(=O)N1CC[C@@H](CSc2ccccc2)C1)C(F)(F)F 281620098 ZVNLBPQWTIGSGS-CYBMUJFWSA-N 345.430 4.606 0 50 EJAA O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Cl)c2cccnc12 303944863 XYKRHWFHOMKTMV-UHFFFAOYSA-N 336.700 4.558 0 50 EJAA Nc1c2c(nn1-c1ccccc1)-c1ccccc1CC21CCCCC1 305799 VZLLSOVEHFTWMF-UHFFFAOYSA-N 329.447 4.880 0 50 EJAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 444701 NNSLCGMHQLZVSG-UHFFFAOYSA-N 346.361 4.815 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1 447791 LTVWSMZJEOGPIG-UHFFFAOYSA-N 336.822 4.896 0 50 EJAA aggregator CC(=O)c1cccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c1 463242 OVQCRNCTCCLHNK-UHFFFAOYSA-N 343.426 4.834 0 50 EJAA c1ccc2c(c1)CCCN2CCOCCOc1cccc2ccccc12 4759134 AEWUOYMKJFPKSK-UHFFFAOYSA-N 347.458 4.688 0 50 EJAA Cc1nn(C(=O)c2sc3cccc(F)c3c2Cl)c(C)c1Cl 6824944 QMYLFKAMKFLFAD-UHFFFAOYSA-N 343.210 4.849 0 50 EJAA Cc1ccc(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)cc1 12132997 YSJAPYIIGAZPGR-UHFFFAOYSA-N 349.474 4.979 0 50 EJAA Cc1nn(C)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 13960891 AQNOIPXWCRNKSI-UHFFFAOYSA-N 331.410 4.682 0 50 EJAA COc1ccccc1CCNc1cc(C)c2ccc(Cl)cc2n1 23550079 KBFNEILJKVDVDE-UHFFFAOYSA-N 326.827 4.860 0 50 EJAA ON1C(c2ccccc2Cl)=NNc2cc(Cl)c(Cl)cc21 25759464 NRZPMZMBKKPIFM-UHFFFAOYSA-N 328.586 4.630 0 50 EJAA Cc1c(OCc2cccc(F)c2)ccc2c3c(c(=O)oc12)CCCC3 55416890 DILFNWMWIYWQNB-UHFFFAOYSA-N 338.378 4.698 0 50 EJAA c1ccc2c3c([nH]c2c1)CCN(Cc1ccc([C@@H]2CCCCO2)o1)C3 77300522 RWSGQCXTWFCRFO-FQEVSTJZSA-N 336.435 4.561 0 50 EJAA FC(F)(F)CCOc1ccc(C(F)(F)F)c(Br)c1 169725652 VKDKPQDFSPQWEC-UHFFFAOYSA-N 337.057 4.799 0 50 EJAA COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 197188553 GAHFOJIJYCNZSE-AQJGMREQSA-N 349.430 4.690 0 50 EJAA CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1C 331526727 GRNFKSYLOVJRNU-MLGOLLRUSA-N 332.473 4.593 0 50 EJAA CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21 2264 HDOZVRUNCMBHFH-UHFFFAOYSA-N 331.868 4.881 0 50 EJAA world O=C1C(Nc2ccccc2)=C[C@H](c2ccccc2F)N1c1ccccc1 35085 VZUHRYUJXRMROA-OAQYLSRUSA-N 344.389 4.910 0 50 EJAA CCOc1ccc(-c2nc(NC(=O)c3ccccc3)sc2C)cc1 260296 QSZYUXVECDPVQS-UHFFFAOYSA-N 338.432 4.770 0 50 EJAA COc1cccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc12 309143 PPMRBNUTESYHOR-UHFFFAOYSA-N 335.384 4.592 0 50 EJAA Cc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 472077 ZQMZQXTWSRUGRO-UHFFFAOYSA-N 348.246 4.680 0 50 EJAA NCc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2386704 LEMJNIFCYZYXCG-UHFFFAOYSA-N 335.247 4.975 0 50 EJAA Cc1cc(Br)ccc1OCCCN1C[C@@H](C)C[C@@H](C)C1 2824873 VWMVMSIKIGCBCD-OKILXGFUSA-N 340.305 4.504 0 50 EJAA O=C(NCCc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 2980730 MMIVCKNQIPBTIR-RELWKKBWSA-N 327.427 4.586 0 50 EJAA Cc1cccc2c(C(=O)O)cc(-c3ccc(OCC(C)C)cc3)nc12 4652230 ZBAVSUIDASGRSF-UHFFFAOYSA-N 335.403 4.943 0 50 EJAA Cc1ccc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 18105668 SLWFWUODGLTSSD-UHFFFAOYSA-N 338.436 4.774 0 50 EJAA Cl/C(=C\c1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1 19633354 HLFFMLKSXHMNEH-JXAWBTAJSA-N 347.289 4.742 0 50 EJAA COc1ccc2nc(S[C@H](C)C(=O)c3cccc(Cl)c3)[nH]c2c1 147821372 CWKDQVITTAMHQI-SNVBAGLBSA-N 346.839 4.588 0 50 EJAA Clc1ccc2oc(-c3ccccc3)cc(=Nc3nccs3)c2c1 238901398 LZHAASWQLSQANP-UHFFFAOYSA-N 338.819 5.442 0 50 EJAA O=C(Nc1ccc(Cl)nc1)N1CCC(=Cc2cccs2)CC1 1875277344 GKNLPUFJPRXREC-UHFFFAOYSA-N 333.844 4.508 0 50 EJAA O=S(=O)(c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 225759 XEARXWSVSONHPB-UHFFFAOYSA-N 344.819 4.965 0 50 EJAA O=C(CSc1ccc(Cl)cc1)Nc1cccc2cccnc12 438077 QPNXVNVEPHLVGT-UHFFFAOYSA-N 328.824 4.619 0 50 EJAA COc1cccc(C(=O)Nc2ccccc2[C@@H]2CC2(Cl)Cl)c1 1078953 NTYQUJZBKZOAQX-AWEZNQCLSA-N 336.218 4.609 0 50 EJAA Cc1ccc(SCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4845691 LUUNFXJXNHGCIA-UHFFFAOYSA-N 329.509 4.562 0 50 EJAA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 5535000 UWBICEKKOYXZRG-HCWGXPEJSA-N 342.479 4.594 0 50 EJAA O/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 9486360 MTPNKJNLYOJGGR-LSDHQDQOSA-N 339.435 4.629 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@H]1C 13329535 MDLHMQLVNKTFKS-ABAIWWIYSA-N 332.831 4.612 0 50 EJAA O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1775976137 KAZALZGXUHNVTH-CHWSQXEVSA-N 346.814 4.831 0 50 EJAA C[C@H](Cc1ccccc1Cl)Nc1nncc2cc(Cl)ccc12 2325814956 BUCTZIKNMOKQFG-LLVKDONJSA-N 332.234 4.980 0 50 EJAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccco1 27292 YGELMAGAUGHTDT-MAUKXSAKSA-N 332.403 4.872 0 50 EJAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1O 401677 DCHMTYGZNUWTJR-UHFFFAOYSA-N 331.586 4.996 0 50 EJAA CCOc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 443433 KILXOZQLQWDBNS-IZZDOVSWSA-N 335.325 4.756 0 50 EJAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 444538 LPCKYWHDWOZGSR-UHFFFAOYSA-N 346.361 4.815 0 50 EJAA O=C(COc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1 531366 NXLHVKXDGHJBLN-UHFFFAOYSA-N 340.382 4.559 0 50 EJAA O=C(c1ccc(Cl)cc1)N(Cc1cccs1)c1ccc(O)cc1 4689501 AZDKTHIDSKTJAW-UHFFFAOYSA-N 343.835 4.954 0 50 EJAA COc1ccc2c(Cl)cc(NC(=S)Nc3ccccc3)nc2c1 5550327 HZVNREMABNFFPU-UHFFFAOYSA-N 343.839 4.706 0 50 EJAA in-vitro O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1F 20435906 AYMLJCAJDSCNPJ-UHFFFAOYSA-N 336.838 4.817 0 50 EJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 20605145 ISECZPLUUOGBBR-UHFFFAOYSA-N 349.356 4.844 0 50 EJAA CSc1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71283288 CWZLMCLMWHCXDX-HNNXBMFYSA-N 327.453 4.844 0 50 EJAA O=C(NCCCC[C@H]1CCCO1)c1ccc(-c2cccc(F)c2)cc1 220747000 QBFTZOKBOJDVPU-FQEVSTJZSA-N 341.426 4.572 0 50 EJAA CCCn1c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc21 438828091 KZEWCVGIOCTXJM-UHFFFAOYSA-N 330.391 4.696 0 50 EJAA Fc1cc(-c2ccc(OCCN3CCCC3)cc2)c2ncccc2c1 1506397588 PGFMCXJOQSMYNC-UHFFFAOYSA-N 336.410 4.516 0 50 EJAA Fc1ccc(CN=c2[nH]c(-c3ccc(F)c(Cl)c3)cs2)cc1 1875326218 MRODPMYBWDTWBM-UHFFFAOYSA-N 336.794 4.776 0 50 EJAA C[C@H]1C[C@H](N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1 173887 FUJJYWHEWLAICE-KXBFYZLASA-N 332.403 4.872 0 50 EJAA CC(C)Oc1nc(-c2ccc(Br)cc2)nc2ccccc12 435169 QBBKANXZXPNQHW-UHFFFAOYSA-N 343.224 4.847 0 50 EJAA CCc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 2813561 XAMABYFLXPTALU-JKSUJKDBSA-N 334.246 4.775 0 50 EJAA O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 2841446 QTAIFNCQQGESCU-UHFFFAOYSA-N 343.835 4.808 0 50 EJAA CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(F)(F)F)c2)CC1 4050216 ZIXSGRNDXGVFRZ-UHFFFAOYSA-N 344.377 4.517 0 50 EJAA CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 4309631 NPPONDPRBOWTBX-PKOBYXMFSA-N 326.827 4.866 0 50 EJAA CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 4842104 DPZCVLIGOATDSK-UHFFFAOYSA-N 336.391 4.814 0 50 EJAA Cc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)cc1F 67850365 FDTATBDCURIMDG-UHFFFAOYSA-N 346.409 4.630 0 50 EJAA Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cccnc3)cc2c1 124143787 PFGKEMXLUUZJOY-UHFFFAOYSA-N 346.386 4.572 0 50 EJAA COc1ccc([C@H](Nc2ncnc3ccccc23)c2ccccc2)cc1 170591711 WZTTYVCMGOLYLG-OAQYLSRUSA-N 341.414 4.840 0 50 EJAA COc1cccc(C)c1NC(=O)c1[nH]c2ccc(F)cc2c1Cl 170614991 BMUNKEWCIMXGFV-UHFFFAOYSA-N 332.762 4.530 0 50 EJAA Cc1nc2ccc(C(=O)N(Cc3ccsc3)C3CCCC3)cc2o1 216177964 YMHACNIGCTUODW-UHFFFAOYSA-N 340.448 4.783 0 50 EJAA Cc1cccc(C[n+]2cn(Cc3ccc(Cl)cc3)c3ccccc32)c1 252499906 SIPZARZFFNWCLH-UHFFFAOYSA-N 347.869 4.987 0 50 EJAA CC1(C)CCc2ccccc2[C@H](NCc2nc(-c3ccoc3)no2)C1 685041394 FPIRPVIWBKIUKI-QGZVFWFLSA-N 337.423 4.523 0 50 EJAA Cc1ccnc(NC(=O)c2nc3ccccc3cc2C2CC2)c1C1CC1 906026901 CBCGECVOOTUYIK-UHFFFAOYSA-N 343.430 4.945 0 50 EJAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCC(C)(C)CC3)cc2F)n1 1264704691 LJWOCXKTJIITBG-UHFFFAOYSA-N 343.446 4.783 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2cc(Cl)ccc2Cl)c(C)c1 1474782624 MZGGBJQNJRQODD-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA Cc1ccc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cn1 1875306455 HDYKUMWDOQWMHC-MRXNPFEDSA-N 332.451 4.763 0 50 EJAA O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccccc1Cl 227526 NIWLUIYEFZWWQH-UHFFFAOYSA-N 349.839 4.621 0 50 EJAA Cc1ccc([C@H](CC(=O)NC2CCCCC2)c2ccccc2)c(O)c1 285589 HLFKTUFUIIWQQN-HXUWFJFHSA-N 337.463 4.672 0 50 EJAA O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 371222 WDGYIOWPTPHUON-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c(Cl)c1 406784 JONCMRSPKDOGRU-JKSUJKDBSA-N 345.233 4.731 0 50 EJAA O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CCCc1ccccc1 1150317 JFCSRCYWNXMOMS-DEJPRBEVSA-N 349.455 4.912 0 50 EJAA Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)o1 9667357 AQSCTDAVXVHARM-LLVKDONJSA-N 342.464 4.704 0 50 EJAA O=C(CC[C@@H]1CCCN(C2CCCCCC2)C1)Nc1ccccc1F 12430677 DAUPPGIDKHZHPJ-KRWDZBQOSA-N 346.490 4.979 0 50 EJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(C)cc(C)c1 33087345 STNOALZPVXNJDT-MRXNPFEDSA-N 327.428 4.531 0 50 EJAA CC1=C(C)C[C@](Cc2ccccc2)(S(=O)(=O)c2ccccc2)CC1 39247185 GPYUHTUELILMOS-OAQYLSRUSA-N 340.488 4.962 0 50 EJAA Cc1nc2ccccc2nc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 170593759 NAHQSVSQWIZWNM-FXAWDEMLSA-N 333.435 4.518 0 50 EJAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc2[nH]ccc12 263588591 WBBVCDHFTCPJNX-GOSISDBHSA-N 335.432 4.649 0 50 EJAA CC(C)c1ccc(O)c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 1875335861 JKMCEHDOGPREJG-GOSISDBHSA-N 339.435 4.662 0 50 EJAA Cc1cc(C)c(NC(=O)[C@H]2CCCCN2C2CCCCC2)c(C)c1 186692 KBOMNCDLICXPTM-LJQANCHMSA-N 328.500 4.738 0 50 EJAA COc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 280502 IPMWWFWWAZNLSX-UHFFFAOYSA-N 344.611 4.862 0 50 EJAA O=C(NCCc1ccc(F)cc1)c1ccccc1Oc1ccccc1 319031 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Clc1ccccc1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 825596833 WVVWSXNZBQNCQQ-VQTJNVASSA-N 332.919 4.569 0 50 EJAA Cc1cccc(CN(C(=O)C[C@H](C)n2ccnc2)C2CCCCC2)c1 952988329 PZSSKSPWTRGLKI-SFHVURJKSA-N 339.483 4.504 0 50 EJAA Cc1sc2nc(-c3nccs3)nc(O)c2c1-c1ccc(F)cc1 1875252359 DCJUAGARGASIBB-UHFFFAOYSA-N 343.408 4.635 0 50 EJAA CC(CNC(=O)[C@H]1CCC2(CC2)C1)(c1ccccc1)c1ccccc1 1875336142 SUOLKILBHBXHII-SFHVURJKSA-N 333.475 4.689 0 50 EJAA C[C@H](N[C@H](C)[C@H](O)C1CCCCC1)c1ccc(-c2ccncc2)cc1 1875339231 XPASQPYHKCSWOB-JKSBSHDWSA-N 338.495 4.729 0 50 EJAA Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl 150819 WVEAECCTPHJIKY-HUUCEWRRSA-N 331.843 4.602 0 50 EJAA Cc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1C 358821 NFYSAGLQAYKYBG-UHFFFAOYSA-N 348.471 4.512 0 50 EJAA O=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 453622 PLTGTYBEEUOCKG-UHFFFAOYSA-N 343.579 4.633 0 50 EJAA CCOc1ccccc1CNC(=O)c1sc2ccccc2c1Cl 2762326 HLLHKNCUTIJCGJ-UHFFFAOYSA-N 345.851 4.883 0 50 EJAA Cc1cc(Cl)ccc1OCCCC(=O)NCCCc1ccccc1 4904805 NABLESREYPSHIG-UHFFFAOYSA-N 345.870 4.556 0 50 EJAA C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 6701624 AEGVGQYNOULHPX-AWEZNQCLSA-N 349.434 4.525 0 50 EJAA O=C(c1cccs1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 14997866 WZHSOZJDLGZRPM-UHFFFAOYSA-N 341.476 4.732 0 50 EJAA CC(=N/Nc1nc2ccccc2s1)/N=N/c1ccc(C(=O)O)cc1 22016755 VCMUOVONKMRBJR-MNJINHJASA-N 339.380 4.524 0 50 EJAA O=C(c1cccc2cnccc12)N1CCCC[C@H]1c1ccc(F)cc1 77287876 PNJBQYXFRNYKQV-FQEVSTJZSA-N 334.394 4.741 0 50 EJAA CCCc1nc(C(=O)N(Cc2ccco2)Cc2cccs2)cs1 92081228 QTEOBGYXEMLNTB-UHFFFAOYSA-N 346.477 4.593 0 50 EJAA Cc1c(CNC(=O)NCc2oc3ccccc3c2C)oc2ccccc12 170627477 PBNWPDLCJIPZBL-UHFFFAOYSA-N 348.402 4.795 0 50 EJAA Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1CC(F)(F)F 241439927 NNMSCPOLZDXWHQ-UHFFFAOYSA-N 340.345 4.539 0 50 EJAA C=CC(=O)Nc1ccccc1CSc1ccc(C(F)(F)F)cn1 1775997488 LCLURGTYWTYAOE-UHFFFAOYSA-N 338.354 4.517 0 50 EJAA c1ccn2cc(-c3ccc(NCc4cnc(C5CC5)s4)cc3)nc2c1 1875263986 CPOYYDHGOCIZPL-UHFFFAOYSA-N 346.459 4.947 0 50 EJAA C[C@H]1C[C@H]1c1ccc(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)o1 1875305247 NQBVAOFPTQVYFJ-UOVPBQLFSA-N 339.435 4.523 0 50 EJAA Cc1csc(-c2ccc(NCc3cc(-c4ccncc4)n[nH]3)cc2)n1 1875317407 WXQTZOKEEBCXJQ-UHFFFAOYSA-N 347.447 4.516 0 50 EJAA CCC[C@H](N[C@H]1COC[C@@H]1C)c1ccc(Oc2ccccc2)cc1 2325822347 RKGSTSJWVWVSBK-NDXORKPFSA-N 325.452 4.945 0 50 EJAA CCOC(=O)Cc1c(SC)c2ccccc2n1Cc1ccccc1 453205 NSTJSTCLFGMKNU-UHFFFAOYSA-N 339.460 4.517 0 50 EJAA Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)oc2ccccc12 461108 AMDUSDNBVDCIBC-UHFFFAOYSA-N 333.431 4.836 0 50 EJAA Cc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 476226 POINFGWWQKTLCK-FNORWQNLSA-N 329.705 4.912 0 50 EJAA Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)c1 484147 JFEWZAAEDZGRBA-UHFFFAOYSA-N 330.359 4.649 0 50 EJAA COc1ccc2c(c1)N(C(=O)NC1CCCCC1)C(C)(C)C[C@@H]2C 528589 MCTHDOCIKHEIJZ-AWEZNQCLSA-N 330.472 4.830 0 50 EJAA CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 610544 AQEGAECEIZFNBM-UHFFFAOYSA-N 338.194 4.596 0 50 EJAA S=C(NCCSCc1ccccc1Cl)Nc1ccccc1 2927156 ZYVNVSXHLQNSKF-UHFFFAOYSA-N 336.913 4.560 0 50 EJAA Cc1cc(OCCOc2cccc3cccnc23)c(C)cc1Cl 2985686 UHZNJMPEZDPXFV-UHFFFAOYSA-N 327.811 4.963 0 50 EJAA CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(C)(C)C)cc2)CC1 3883323 RNVSJDANLAJUQF-UHFFFAOYSA-N 332.488 4.796 0 50 EJAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1csc2ccccc12 4893634 SBGBEWUZSRRNDK-UHFFFAOYSA-N 325.477 4.848 0 50 EJAA Cc1csc([C@H](C)N(C)Cc2nc(-c3ccsc3)oc2C)n1 12761082 YRCFMZAXHNAIDY-NSHDSACASA-N 333.482 4.669 0 50 EJAA Cc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)cc1 20605757 UVFUSOAJSMMXLT-UHFFFAOYSA-N 345.368 4.993 0 50 EJAA Cc1ccc2nc(-c3ccccc3OCCCn3ccnc3)[nH]c2c1C 67803040 ZEBYVWHGITYWDR-UHFFFAOYSA-N 346.434 4.512 0 50 EJAA O=C1Nc2ccc(F)cc2/C1=C\c1ccc(-c2ccncc2)cc1F 751542614 JGHGLFKICRQJCO-RQZCQDPDSA-N 334.325 4.520 0 50 EJAA Cc1cc(=O)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12 407124 XVOHLKXOXIWZDG-UHFFFAOYSA-N 335.186 4.987 0 50 EJAA O=C(NCCc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 475118 UWCVZMXTANJZNP-UHFFFAOYSA-N 335.834 4.980 0 50 EJAA COc1cccc(C(=O)Nc2ccccc2[C@H]2CC2(Cl)Cl)c1 1078951 NTYQUJZBKZOAQX-CQSZACIVSA-N 336.218 4.609 0 50 EJAA O=C(NC1CCCCC1)[C@H]1CC2c3ccccc3C1c1ccccc12 1214733 AKNPMBKQINBFQN-ORFBVSJDSA-N 331.459 4.733 0 50 EJAA Cc1ccc2c(CN3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1 2238339 ANXBKWLIELIIGL-UHFFFAOYSA-N 347.458 4.556 0 50 EJAA CCOc1cc(C=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 2834718 YBWNSAQUXOPCKG-UHFFFAOYSA-N 348.826 4.626 0 50 EJAA Clc1cc(Br)ccc1OCCCCN1CCCCC1 3002062 CQCLNRWZCUFRKR-UHFFFAOYSA-N 346.696 4.747 0 50 EJAA Cc1cccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)c1 4983223 JXFMESFTPPTKDU-UHFFFAOYSA-N 325.481 4.706 0 50 EJAA Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)o1 5014008 JEGSUALWYVZNRK-UHFFFAOYSA-N 343.430 4.731 0 50 EJAA Cc1ccccc1-c1nc(-c2cccc(NC(=O)c3ccco3)c2)no1 6703685 WTXFRYSRQWRMBE-UHFFFAOYSA-N 345.358 4.557 0 50 EJAA FC(F)(F)c1cccc(-c2ccc(CNCc3cccnc3)o2)c1 10315373 XMHOPRIBBXBCIE-UHFFFAOYSA-N 332.325 4.650 0 50 EJAA CN(Cc1c[nH]nc1-c1cccc2ccccc12)C(C1CC1)C1CC1 12437578 BIONIYZNDHUMHE-UHFFFAOYSA-N 331.463 4.850 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 64984553 UGCLRDCVVFERSZ-KRWDZBQOSA-N 343.427 4.566 0 50 EJAA Cc1cc2cc(C(=O)N(C)Cc3cccc4ncccc34)ccc2o1 77287750 IWHWSKWNJZWESI-UHFFFAOYSA-N 330.387 4.562 0 50 EJAA Cc1cc(Oc2ccncc2)ccc1NC(=O)NCC1CCCCC1 1875338732 JHAYHMYHKGXVFQ-UHFFFAOYSA-N 339.439 4.884 0 50 EJAA Cc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1 432555 SZLWGBFNRNZZGW-UHFFFAOYSA-N 328.213 4.687 0 50 EJAA O=C(Nc1ccncc1)c1ccc(COc2ccccc2Cl)cc1 465798 VAHVWEIUWRWGMO-UHFFFAOYSA-N 338.794 4.566 0 50 EJAA S=C(NCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 468022 AXOHIEYMEXOWCO-UHFFFAOYSA-N 334.444 4.966 0 50 EJAA CCc1cccc2c(C=O)cn(CCOc3ccc(Cl)cc3)c12 618855 CQICQXIGEGLGQC-UHFFFAOYSA-N 327.811 4.749 0 50 EJAA Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3Cl)c2c1 2237789 ISDDVWTZKGZCTB-UHFFFAOYSA-N 347.245 4.756 0 50 EJAA biogenic Cc1ccc2[nH]c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc2c1 2879350 XCTBWOASQJFCPF-UHFFFAOYSA-N 341.414 4.720 0 50 EJAA Clc1ccc(OCCOc2cccc3cccnc23)c(Cl)c1 2984956 AAFHSIABNBCTGD-UHFFFAOYSA-N 334.202 4.999 0 50 EJAA Cc1cc(Cl)c(OCCCCN2CCCC2)c(Br)c1 3003732 ILNKOAGUUFEOOP-UHFFFAOYSA-N 346.696 4.666 0 50 EJAA O[C@H](COCc1ccccc1)CN(C1CCCCC1)C1CCCCC1 4819910 DTEMPXLYQBOHLH-QFIPXVFZSA-N 345.527 4.532 0 50 EJAA C=C[C@](C)(C[C@@H](OC)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C(=O)CC 43762389 ANCHGALOVXDQRM-XVPDYNCKSA-N 332.484 4.659 0 50 EJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 91656360 KHNTWFIMTYPPAG-CQSZACIVSA-N 347.484 4.664 0 50 EJAA COC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl 97756943 LDDXGICCQWOCBQ-UHFFFAOYSA-N 330.689 4.692 0 50 EJAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccco5)(C4)C2)C3)cc1 100650116 QDNQQKVGBNNLDE-YUOVDFJASA-N 349.474 4.742 0 50 EJAA O=C(CCC1CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 176033350 AVQPGRHSFJCJOL-UHFFFAOYSA-N 346.858 4.768 0 50 EJAA CC[C@H]1c2ccsc2CCN1C(=O)CCc1ncc(C(C)(C)C)o1 187073371 DAMIQFCYHIKYEK-AWEZNQCLSA-N 346.496 4.502 0 50 EJAA C[C@@H](NCc1cccc(O)c1Cl)c1ccccc1C(F)(F)F 815119873 IZGWQVZUNGLUMS-SNVBAGLBSA-N 329.749 4.915 0 50 EJAA FC(F)(F)c1ccc(CCCN2CCC[C@H](c3cccnc3)C2)cc1 1460304818 SGVMPZJITMBZLA-SFHVURJKSA-N 348.412 4.913 0 50 EJAA Cc1ccccc1C[C@@H](NC[C@H](CCO)CC(C)C)c1ccco1 2325841065 BSYGFILJLZDAJE-UYAOXDASSA-N 329.484 4.506 0 50 EJAA O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1Cl 128106 QAQHEFSLNDSQLL-UHFFFAOYSA-N 328.824 4.640 0 50 EJAA C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 312082 GDYUGYCZGJDVJH-QGZVFWFLSA-N 331.415 4.757 0 50 EJAA O=C1OC(c2ccccc2)=NC1=C1c2ccccc2Oc2ccccc21 1506841 PKVLLCKVPHSQES-UHFFFAOYSA-N 339.350 4.555 0 50 EJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=C[C@@H]21 2572326 YOVRGSHRZRJTLZ-HZPDHXFCSA-N 344.451 4.801 0 50 EJAA biogenic,in-vitro CCc1ccccc1-n1c(S)nnc1CSCc1ccccc1 6388257 PKYRMADNFNGJJY-UHFFFAOYSA-N 341.505 4.552 0 50 EJAA O=C(Nc1ccccc1)c1ccc(-c2cccc(-c3cc[nH]n3)c2)o1 20784329 UAFDKSCCECFELX-UHFFFAOYSA-N 329.359 4.589 0 50 EJAA Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1NC(=O)C1CC1 30831066 SVDRENNUIOOQAO-UHFFFAOYSA-N 343.814 4.641 0 50 EJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 33087342 PSDKRYBHURSPFL-INIZCTEOSA-N 327.428 4.531 0 50 EJAA CC1=C(C)C[C@@](Cc2ccccc2)(S(=O)(=O)c2ccccc2)CC1 39247184 GPYUHTUELILMOS-NRFANRHFSA-N 340.488 4.962 0 50 EJAA c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1 225684753 GOWACXPZKVVISS-PXNSSMCTSA-N 332.428 4.990 0 50 EJAA Nc1nc(CCCNCc2ccc(C3CCCCC3)s2)cs1 1506405372 ZWHZWERSSJKLQK-UHFFFAOYSA-N 335.542 4.557 0 50 EJAA COc1cccc2scc(-c3nc(-c4cccc(F)c4)no3)c12 1875315556 ZJWLZHRMPWTRGA-UHFFFAOYSA-N 326.352 4.766 0 50 EJAA CC[C@H](N[C@H]1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1 1875358786 JVYCAIGUNGYYRU-PMACEKPBSA-N 337.511 4.813 0 50 EJAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(F)c1 309415 OCQNOPUHTQJORJ-UHFFFAOYSA-N 348.588 4.803 0 50 EJAA CCc1cccc(C)c1NC(=O)Cc1ccc(Br)cc1 455947 NFVOOOCJOGKWNK-UHFFFAOYSA-N 332.241 4.501 0 50 EJAA O=C(NCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 1218317 KSRSMDNYJFNTHG-FQEVSTJZSA-N 333.456 4.836 0 50 EJAA Cc1cccc(-c2nnc(-c3cccc(NC(=O)CC(C)C)c3)o2)c1 6701124 NLNWZCDFAQXOIM-UHFFFAOYSA-N 335.407 4.697 0 50 EJAA Cc1cccc(Cc2cnc(NC(=O)c3cc(C)oc3C)s2)c1 9910689 ZCRWRBCZSXETTC-UHFFFAOYSA-N 326.421 4.504 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(CN2CCCC2)cc1 13325208 HNMMEZIIPKMOHR-UHFFFAOYSA-N 329.831 4.580 0 50 EJAA Cc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)c(C)c1 16602917 RDFAGQUWHBMHFL-UHFFFAOYSA-N 326.421 4.889 0 50 EJAA COc1ccc(CC[C@@H](C)NCc2cccc(C(F)(F)F)c2)cc1 23282593 GLGUJWXQPAOYNK-CQSZACIVSA-N 337.385 4.825 0 50 EJAA Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 155627 XWSBTBHNERIRTD-UHFFFAOYSA-N 339.192 4.993 0 50 EJAA c1ccc(Oc2cccc(CN3CCC(N4CCCC4)CC3)c2)cc1 317446 MGPBJDPGBWZQJM-UHFFFAOYSA-N 336.479 4.539 0 50 EJAA Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccco4)c3)oc2c1 353012 NZOXGVKOHPPDBZ-UHFFFAOYSA-N 332.359 4.957 0 50 EJAA O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)C1CCCC1 609140 FRDJDPOXGFUVPI-FQEVSTJZSA-N 343.854 4.767 0 50 EJAA COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 1575300 MJBQMCJAENKSEC-UHFFFAOYSA-N 330.431 4.721 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 8708763 XBUJFJBGIDSIAX-JTQLQIEISA-N 343.732 4.765 0 50 EJAA Brc1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1 22023190 XJPFNFYDIOHZMJ-QGZVFWFLSA-N 331.257 4.571 0 50 EJAA Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 25762878 ZOVRBHYAISZQDK-PXNSSMCTSA-N 334.350 4.661 0 50 EJAA COc1cc2c(cc1O)[C@H](c1ccccc1-c1ccccc1)CC(=O)N2 65423651 OEGQZLJLVWBZAS-KRWDZBQOSA-N 345.398 4.542 0 50 EJAA Cc1ccc2[nH]c3c(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c2c1 252693093 AQZQOIMXUHPLBV-SZNDQCEHSA-N 334.467 4.825 0 50 EJAA biogenic CO[C@@H]1CCC[C@]12CCCN(Cc1cc(C(F)(F)F)ccc1F)C2 1704345009 SZJHFYBRLMHOMB-IAGOWNOFSA-N 345.380 4.626 0 50 EJAA Cc1cnn(-c2ccc(N[C@@H](C)c3ccc(C(F)F)nc3)cc2F)c1 1875328940 UDZXGGSMAISNSJ-LBPRGKRZSA-N 346.356 4.826 0 50 EJAA COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 577226 MGOPHTUKYAUZDG-UHFFFAOYSA-N 331.415 4.851 0 50 EJAA COC(=O)c1ccccc1OC(=O)c1sc2ccccc2c1Cl 2834395 VWCLQZYFILSWAW-UHFFFAOYSA-N 346.791 4.561 0 50 EJAA CCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@@H]1CN(C)C 4566966 YAVCUODFBOMBEB-SJLPKXTDSA-N 348.487 4.534 0 50 EJAA CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccoc2)nc1 65534680 WYQTYQWUNQMRGA-UHFFFAOYSA-N 329.403 4.816 0 50 EJAA CC(C)Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12 1875388363 YIQKPRJGVXDOJZ-UHFFFAOYSA-N 347.871 4.861 0 50 EJAA COc1ccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 136938 QOUFFHKCYRJDLV-NSHDSACASA-N 325.437 4.568 0 50 EJAA CC(=O)Nc1ccc(OC(=O)Nc2cccc(Cl)c2Cl)cc1 400361 YCAYFFOMOTZHIG-UHFFFAOYSA-N 339.178 4.563 0 50 EJAA O=C(CC(c1ccccc1)c1ccccc1)Nc1ncccc1Cl 5094443 RSZBKMKPJDMUPO-UHFFFAOYSA-N 336.822 4.896 0 50 EJAA CCc1c(C)sc2[nH]c(=S)n(CCCc3ccccc3)c(=O)c12 5928403 QTJBTKMKVPYIOE-UHFFFAOYSA-N 344.505 4.624 0 50 EJAA Cc1c(Cl)cc(C(=O)N(C)[C@H](C)c2cncs2)cc1Cl 95364180 JYRCHNBDRFASFM-SECBINFHSA-N 329.252 4.592 0 50 EJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 238936990 SSDAMYPWBSRGJN-RXVVDRJESA-N 346.386 4.531 0 50 EJAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@H]1CC=Cc2ccccc21 1875305674 XILJAJWTFJKZLN-VCOUNFBDSA-N 347.458 4.694 0 50 EJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1C 471778 DTJNOIAPVQQAJS-MRXNPFEDSA-N 348.240 4.554 0 50 EJAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 1208938 VGISIVUXSHFHFB-UHFFFAOYSA-N 332.359 4.903 0 50 EJAA CC(C)(C)Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)s1 2735447 UROWBTAOEQYJAP-QWHCGFSZSA-N 349.887 4.522 0 50 EJAA C[C@H](Cc1ccsc1)n1ccnc1-c1ccc(-n2ccnc2)cc1 71776293 NLPYCWSGKWXLME-OAHLLOKOSA-N 334.448 4.601 0 50 EJAA CC(C)c1cc(=O)oc2cc(Oc3ncnc4ccsc34)ccc12 198106467 FNPRJRYIWFHXPS-UHFFFAOYSA-N 338.388 4.713 0 50 EJAA CC(C)(C)OC(=O)N1CCc2sc(-c3ccccc3C=O)cc2C1 857755705 QCAQTMASNSZYFE-UHFFFAOYSA-N 343.448 4.521 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1ccccc1C(C)C 2325841390 RTGLMTSCUXSEIS-RBUKOAKNSA-N 325.496 4.620 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 447499 UOGHFLFAJSMKPK-AWNIVKPZSA-N 340.854 4.982 0 50 EJAA aggregator CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1C 465130 XNIJWGTXRSRXBA-CYBMUJFWSA-N 326.465 4.635 0 50 EJAA Cc1ccc(-c2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 467758 LUMMCCKXDBPGGG-UHFFFAOYSA-N 340.426 4.615 0 50 EJAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)cc1 477775 COWYIKFWYVGOHS-IBGZPJMESA-N 336.412 4.838 0 50 EJAA O=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 1234718 KHDFIBIXXCAAKP-RTWAWAEBSA-N 327.427 4.696 0 50 EJAA Cc1cc2c3c(c1C)C(=O)C(=O)N3C(C)(C)c1ssc(=S)c1-2 1831708 KZORHESPUSHVFO-UHFFFAOYSA-N 347.486 4.601 0 50 EJAA CCCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2739612 HBHPXKVNDGXIHS-UHFFFAOYSA-N 345.830 4.514 0 50 EJAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)CC(=O)N2 17071124 HVLGKKAHRLHWBL-INIZCTEOSA-N 339.435 4.521 0 50 EJAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc21 20605140 AKEDQJFZAZUWFR-UHFFFAOYSA-N 337.320 4.975 0 50 EJAA CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(Cl)c2)cc1Cl 192304 SFGLMMLBVAJMJE-UHFFFAOYSA-N 337.206 4.577 0 50 EJAA COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1 615791 LOXIHNKXZLXORT-UHFFFAOYSA-N 335.856 4.696 0 50 EJAA O=C(OCc1c(Cl)cccc1Cl)c1ccc(-n2cccn2)cc1 1432522 UBBPRGNFQCLIMU-UHFFFAOYSA-N 347.201 4.536 0 50 EJAA CCCCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2534667 NHNLSVJCIIEDOA-UHFFFAOYSA-N 332.783 4.516 0 50 EJAA Cc1ccc(-c2cnn3c(NCc4ccccc4)cc(C)nc23)cc1 7636214 YEVGQBUJRAIBAT-UHFFFAOYSA-N 328.419 4.625 0 50 EJAA CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1C(C)C 13325857 SGURBTLQSPYBAT-UHFFFAOYSA-N 329.391 4.733 0 50 EJAA O=C(Nc1cccc(COCC2CC2)c1)N1CC2(CC2)c2ccccc21 225411886 ADNQWYXBWGYILV-UHFFFAOYSA-N 348.446 4.697 0 50 EJAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)O)cc1 263571876 KAPAFTKZXYALRS-KBPBESRZSA-N 331.843 4.662 0 50 EJAA COc1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)cc3)n2)cc1 328578956 BOBIYUQLYDGEHH-UHFFFAOYSA-N 339.778 4.776 0 50 EJAA CC(C)C[C@@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1 409413612 JKXPWDWUHQNTSR-SFHVURJKSA-N 338.455 4.714 0 50 EJAA Cc1[nH]c2ccccc2c1NC(=O)CCc1ccc2ccccc2n1 1875320329 PHBSMTJNQMNADR-UHFFFAOYSA-N 329.403 4.596 0 50 EJAA CC(C(=O)N[C@@H]1CC12CCCCC2)(c1ccccc1)c1ccccc1 1875335910 LDERXTXTZILYJW-HXUWFJFHSA-N 333.475 4.832 0 50 EJAA CCOc1ccccc1-c1csc(NC(=O)c2cccs2)n1 151135 IGAREGVQTHUWTC-UHFFFAOYSA-N 330.434 4.523 0 50 EJAA 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c1ccc(CC2(c3nnc([C@H]4CCO[C@@H]4c4ccccc4)o3)CC2)cc1 299739231 MDDQHAIKIUVIAU-RBUKOAKNSA-N 346.430 4.589 0 50 EJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1ccc(C(C)C)c(F)c1 2325841993 LOPIXUORVREWRA-ZWKOTPCHSA-N 343.486 4.759 0 50 EJAA Cc1ccc2nc(NC(=O)COc3ccc(Cl)cc3C)sc2c1 43109 MXZCRRVSVMTLPP-UHFFFAOYSA-N 346.839 4.584 0 50 EJAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 132043 WEXBVLIWYBLKIG-UHFFFAOYSA-N 345.398 4.775 0 50 EJAA COc1ccc2c(Cl)c(C(=O)N3CCCCC3)sc2c1Cl 176141 VGSJPIMJNWUOAI-UHFFFAOYSA-N 344.263 4.843 0 50 EJAA Brc1ccc(N2COc3ccc4ccccc4c3C2)cc1 192987 YKGNBGUROQRSLP-UHFFFAOYSA-N 340.220 4.959 0 50 EJAA CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccco1)c1ccccc12 266433 CNQUQHBPEUMMHV-UHFFFAOYSA-N 334.327 4.909 0 50 EJAA CC(C)(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 291736 FRFSJRVMCRJMBD-UHFFFAOYSA-N 334.427 4.569 0 50 EJAA CCOc1cc(-c2nc3ccccc3s2)cc(Cl)c1OC(C)=O 1058369 WVWRCNRFUZLMCF-UHFFFAOYSA-N 347.823 4.941 0 50 EJAA Cc1c(C=O)c2ccccc2n1CCOc1cccc2ccccc12 2846093 SQSLZJXPCYOEPO-UHFFFAOYSA-N 329.399 4.994 0 50 EJAA O=C(NCCSc1ccc(Cl)cc1)Nc1cccc(Cl)c1 2883202 SSGZHYJQUDVHMO-UHFFFAOYSA-N 341.263 4.907 0 50 EJAA Cc1ccc(SCCNC(=O)/C=C/c2ccccc2Cl)cc1 2947589 XNFFPAWMSVKDAH-DHZHZOJOSA-N 331.868 4.570 0 50 EJAA CC(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccc(Cl)cc12 3902843 FPZOAGJEHBGBJF-UHFFFAOYSA-N 327.767 4.584 0 50 EJAA CCOc1ccc2c(c1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 4503253 DOZXCWBGMOKMHX-ZDUSSCGKSA-N 335.325 4.578 0 50 EJAA CCC[C@@H]1Oc2ccc(OCC)cc2[C@@H]2CC(c3ccccc3)=NN12 6046049 XMSMRPZYNCKPPS-FPOVZHCZSA-N 336.435 4.755 0 50 EJAA O=C(CSc1ccccn1)Nc1ccc2c(c1)oc1ccccc12 17364047 WBLFHWXWXNSAHZ-UHFFFAOYSA-N 334.400 4.712 0 50 EJAA Fc1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 55543812 MDMGCXBMFLIKNU-UHFFFAOYSA-N 346.449 4.815 0 50 EJAA FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2ccncc2)C1 71738813 ULYZWVAGBKJAQQ-INIZCTEOSA-N 348.412 4.945 0 50 EJAA CC(C)n1ccnc1C1CCN(Cc2ccc(Cl)c(F)c2)CC1 91486027 VZXUCXKVGOLHGA-UHFFFAOYSA-N 335.854 4.636 0 50 EJAA Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1C 136229998 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COc1cccc(-c2noc([C@@H](C)Oc3cccc(Cl)c3)n2)c1 4851233 WDNGGFMFIDOUJG-LLVKDONJSA-N 330.771 4.539 0 50 EJAA O=C(c1ccsc1)N1Cc2ccccc2O[C@H](c2ccccc2)C1 14888333 AXLRMSDEGHEJBL-IBGZPJMESA-N 335.428 4.524 0 50 EJAA Clc1ccc2scc(Cn3ccnc3-c3cccnc3)c2c1 72476917 ALGJSPLADQEQQK-UHFFFAOYSA-N 325.824 4.862 0 50 EJAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(C[C@H](C)c2ccccc2)C1 104402049 XLIYENZIUOKTLX-PKOBYXMFSA-N 325.500 4.591 0 50 EJAA Cc1ccc(Cn2c[n+](Cc3ccc(Cl)cc3)c3ccccc32)cc1 252481956 CVYXVFQVPGKTPK-UHFFFAOYSA-N 347.869 4.987 0 50 EJAA C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCc1ccccc1 675050441 IYKUBWYGMWVVDO-OAHLLOKOSA-N 327.424 4.851 0 50 EJAA Cc1nc2cc(-c3ccccc3OCCn3ccnc3)ccc2s1 1875248568 YAYIRYMZFYDNKW-UHFFFAOYSA-N 335.432 4.547 0 50 EJAA COc1ccc(C(=O)NC[C@]2(C)CCC[C@H]2C)c(OCCC(C)C)c1 1875357358 DFRMTJQCQCJQBF-IERDGZPVSA-N 347.499 4.676 0 50 EJAA CC(C)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(C)(C)C)n1 1875357771 WIEJEJLODHAILK-CVEARBPZSA-N 332.488 4.594 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCCCC1 451753 VTUMROFDMGJTJI-LBPRGKRZSA-N 344.282 4.990 0 50 EJAA COc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1Cl 4542749 QDTGFJYXVSVAMR-VQHVLOKHSA-N 336.218 4.962 0 50 EJAA S=c1[nH]nc(-c2cccc(Br)c2)n1C1CCCCC1 14608560 NRGZENXMIHETMC-UHFFFAOYSA-N 338.274 4.875 0 50 EJAA c1cc(C2CCN(Cc3ccc([C@H]4CCCCO4)s3)CC2)ccn1 72428463 KWZNPPKAQQTKME-LJQANCHMSA-N 342.508 4.764 0 50 EJAA CC(C)c1cc(C(=O)N(C)[C@H](C)c2cccc3ccccc23)n(C)n1 82115901 CZIKZFSRVUEVEH-OAHLLOKOSA-N 335.451 4.530 0 50 EJAA C1=C[C@H](Sc2nnc(-c3ccncc3)n2Cc2ccccc2)CCC1 171791861 OKUSREBDKWDNEB-SFHVURJKSA-N 348.475 4.589 0 50 EJAA CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 257346141 SAOVUTZAPBDLOX-PTBBDUGRSA-N 346.511 4.920 0 50 EJAA COC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1 299802688 NKOHOTLLBOCZBZ-GFCCVEGCSA-N 346.883 4.741 0 50 EJAA O=C(O)Cc1csc2ccc(-c3ccc(C4(O)CCC4)cc3)cc12 1875356465 LJTYWDOULYEWFH-UHFFFAOYSA-N 338.428 4.567 0 50 EJAA CC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(Cl)c3)cc12 348367 PXFDQQAINZFTQC-UHFFFAOYSA-N 328.751 4.816 0 50 EJAA Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 449292 NTPDFGDUFLPTOY-UHFFFAOYSA-N 335.186 4.987 0 50 EJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 475025 LQNKCMODUIRGHU-HOTGVXAUSA-N 345.870 4.553 0 50 EJAA O=C(OCc1ccccc1Br)c1cccc2ccccc12 1066664 QTWZEVPFMGKTME-UHFFFAOYSA-N 341.204 4.959 0 50 EJAA Cc1c(C(=O)c2ccc(F)cc2)oc2ccc(Br)cc12 1385001 CADXZUKRPPUGFK-UHFFFAOYSA-N 333.156 4.874 0 50 EJAA Clc1ccccc1[C@H]1N=C(c2ccccc2)N=C(c2ccccc2)N1 2905529 FWOCDNNOGRNXIH-UHFFFAOYSA-N 345.833 4.835 0 50 EJAA COc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)C)cc2)c1 13931835 GBFKFFNDLLQLTQ-CQSZACIVSA-N 328.481 4.866 0 50 EJAA c1cncc(CCCn2ccc(-c3cccc(-c4cccnc4)c3)n2)c1 20661274 XHVOMFYOSAQWDW-UHFFFAOYSA-N 340.430 4.640 0 50 EJAA Clc1cccc(-c2nc(-c3ccccc3Br)no2)c1 38537045 OWRHRDZBLZWKSE-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA in-vitro COCc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@H]3CCC1 60050172 XXNVNCLJWPPPSH-QFIPXVFZSA-N 346.474 4.681 0 50 EJAA FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3ccccn3)C2)c1 71764408 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FC(F)(F)c1ccccc1NC(=S)Nc1ccc(Cl)cn1 612129 WJRVPVHCAPKCKW-UHFFFAOYSA-N 331.750 4.563 0 50 EJAA O=c1c2cccc3c2c(nn1Cc1ccccc1Cl)-c1ccccc1-3 2191367 LMMDIXJQNSEUHZ-UHFFFAOYSA-N 344.801 4.746 0 50 EJAA Cc1ccc2oc(=O)n(CCCOc3ccc(C(C)(C)C)cc3)c2c1 2668943 VOAGHPIMGMIZFP-UHFFFAOYSA-N 339.435 4.670 0 50 EJAA COc1ccc(CNc2ccc(-c3nc4ncccc4o3)cc2)cc1 4865953 DHIYMWYKASPOOB-UHFFFAOYSA-N 331.375 4.511 0 50 EJAA CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 13326557 QCCFNESQEBHSHO-LBPRGKRZSA-N 335.806 4.756 0 50 EJAA CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O 59047060 HYOGJHCDLQSAHX-UHFFFAOYSA-N 344.886 4.686 0 50 EJAA investigational Cc1cc(C)c2[nH]c(C(=O)N(Cc3ccccn3)CC(C)C)c(C)c2c1 92065535 FKEHYDHYBMIAGL-UHFFFAOYSA-N 349.478 4.787 0 50 EJAA Clc1ccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 185486990 JQUKSAXGOMEEME-HNNXBMFYSA-N 342.855 4.595 0 50 EJAA Cc1cc(Cl)nc(CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)c1 225736752 NSUIQMKOXCJBOU-UHFFFAOYSA-N 349.821 4.608 0 50 EJAA CN(C)CCCN=c1cc(-c2ccccc2)oc2ccc(Cl)cc12 238881681 AXNJKVXDLMYBNG-UHFFFAOYSA-N 340.854 4.606 0 50 EJAA CC1(C)C[C@@]1(C(=O)Nc1ccc2scnc2c1)c1cccs1 952977731 CXQULXSZUHIRFJ-KRWDZBQOSA-N 328.462 4.664 0 50 EJAA CSc1ccc2c(C)cc(NCc3cc(C(C)C)on3)nc2c1 1704313634 KQYWULUZRFRCNJ-UHFFFAOYSA-N 327.453 4.989 0 50 EJAA Cc1ccc2oc(CN3CCC(c4ccnc(O)c4)CC3)c(C)c2c1 1772814595 JAOTYLLYCATBGF-UHFFFAOYSA-N 336.435 4.530 0 50 EJAA Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 121403 VEOWDJDRBXNQBS-UHFFFAOYSA-N 335.378 4.819 0 50 EJAA Cc1cccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)c1 127366 OBBJCNTWAWBSOE-UHFFFAOYSA-N 330.362 4.500 0 50 EJAA C[C@@H](Oc1ccccc1C(=O)O)C(c1ccccc1)c1ccccc1 409728 NUCPTBPYDMFSQW-MRXNPFEDSA-N 332.399 4.984 0 50 EJAA Cc1c(Cl)cccc1NC(=O)Cc1ccc(Br)cc1 456804 IJQYXSCCPBHJSD-UHFFFAOYSA-N 338.632 4.592 0 50 EJAA COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)cc(C)c1C 460800 FYZFFOITCGTQIT-UHFFFAOYSA-N 347.842 4.600 0 50 EJAA FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12 2766626 VFEPPGMVXBUGRA-UHFFFAOYSA-N 332.112 4.722 0 50 EJAA COc1cc(Cl)c(/C=C/c2ccc3cccc(O)c3n2)cc1OC 4845184 RJUDGIRMFSJCJY-VQHVLOKHSA-N 341.794 4.781 0 50 EJAA Cc1cc(Cl)c(OCCN2CCC[C@@H](C)C2)c(Br)c1 4913696 QENZYTWVRBKUJJ-LLVKDONJSA-N 346.696 4.522 0 50 EJAA c1ccc2c(-c3noc4c3CN(Cc3nccs3)CC4)cccc2c1 19743081 ZNAIUFWTCDLKJL-UHFFFAOYSA-N 347.443 4.510 0 50 EJAA CCCc1ccc2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 139191950 PMERTGKWAHDNNW-UHFFFAOYSA-N 345.855 4.737 0 50 EJAA CC1(C)C[C@@H](NC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2O1 194308514 XZCULUMOGVLYGB-QGZVFWFLSA-N 335.407 4.592 0 50 EJAA O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)cc1 263640086 XAIHVVCWQJBGLD-UHFFFAOYSA-N 332.190 4.636 0 50 EJAA CC(C)CCN(CCC(C)C)C(=O)c1coc(Br)c1 378971590 IPGLNBUNTSOKBX-UHFFFAOYSA-N 330.266 4.577 0 50 EJAA Cc1ccc([C@H](C)NC(=O)N(Cc2ccsc2)C2CCCC2)cn1 426662529 VUEFAMXFGPKLFI-HNNXBMFYSA-N 343.496 4.667 0 50 EJAA CC(C)SCc1nnc2sc(-c3cccc4ccccc34)nn12 1776111026 NMBCXMFAYVFVGZ-UHFFFAOYSA-N 340.477 4.648 0 50 EJAA COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(C)n2)cc1Cl 10119516 SBIQAIZFZXDNRK-UHFFFAOYSA-N 345.613 4.611 0 50 EJAA Cc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c1 13331414 ILUWQAVERISVEB-UHFFFAOYSA-N 348.450 4.809 0 50 EJAA O=C(Nc1ccc(F)cc1OC(F)F)c1cc2c(s1)CCCC2 20606450 SIWDXZXUHWYEMG-UHFFFAOYSA-N 341.354 4.620 0 50 EJAA COc1ccccc1-c1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 109454636 CVJOQUNSFFYPLU-HUUCEWRRSA-N 326.783 4.670 0 50 EJAA O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3o2)c1 277294 BQZCUXREKWMQQW-ZHACJKMWSA-N 330.343 4.740 0 50 EJAA COc1ccc2c(c1)CCCN2C(=O)c1ccc2c3c(cccc13)CC2 306997 BMMWOIWDEXQQRV-UHFFFAOYSA-N 343.426 4.540 0 50 EJAA Cc1cccc(C(=O)Oc2ccc(Br)cc2Cl)c1 358971 CQOMHCLLEBGPDO-UHFFFAOYSA-N 325.589 4.630 0 50 EJAA Cc1ccc2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1 444348 BZZRZPFNPPACDQ-UHFFFAOYSA-N 342.398 4.984 0 50 EJAA Cc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3Cl)ccc12 608397 PJAXAJUCSPMNBF-UHFFFAOYSA-N 332.758 4.781 0 50 EJAA CC1(C)C[C@@H](CNCC[C@H](c2ccccc2)c2ccco2)CCO1 2139702 YLIFUTNQCPIQQY-PKOBYXMFSA-N 327.468 4.596 0 50 EJAA biogenic CCCCNCc1cc(OC)c(OCc2ccccc2)cc1Cl 2862287 IWYNVCQHOVLKFC-UHFFFAOYSA-N 333.859 4.817 0 50 EJAA CCCCN(Cc1ccccc1)Cc1ccc(OC)c(OCC)c1 2893955 FIKDGJNCQIQKFT-UHFFFAOYSA-N 327.468 4.896 0 50 EJAA CCN(CC)[C@@H]1C(O)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 6783631 VBMSIUSIEAGKMP-ROUUACIJSA-N 328.843 4.784 0 50 EJAA CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cccs4)[nH]c(=O)c23)C1 9667343 NPSOZJYHKMYEQH-JTQLQIEISA-N 344.505 4.864 0 50 EJAA CC(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 13304460 ITNCIGYKTVOSNI-IEBWSBKVSA-N 326.827 4.866 0 50 EJAA Cc1ccc(C)c([C@H](C)NC(=O)c2c(-c3ccccc3)noc2C)c1 13328713 WPPSTNZBUJROII-HNNXBMFYSA-N 334.419 4.758 0 50 EJAA C[C@@H](CCN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 19633065 HTIRYUDGMBVNBZ-MAIVGLDJSA-N 334.507 4.511 0 50 EJAA Cc1cccc(C)c1NC(=O)c1ccc(CN2CCCCCC2)cc1 38833495 QPAVCGCBWRJJFS-UHFFFAOYSA-N 336.479 4.932 0 50 EJAA c1ccc(C(OCCN2CC3CCC(CC3)C2)c2ccccc2)cc1 96027491 MYRYVUMGOCRRBG-UHFFFAOYSA-N 335.491 4.915 0 50 EJAA Cc1noc(C)c1[C@H](C)C(=O)Oc1ccccc1SC(F)(F)F 132019835 ZOBUHTYKFQROCS-QMMMGPOBSA-N 345.342 4.612 0 50 EJAA CO[C@@H](C)c1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1 170728992 HCLACDMHXFMNRZ-ZDUSSCGKSA-N 338.382 4.642 0 50 EJAA C[C@@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)[C@@H](C)[C@@H]1C 1310642292 HBWZTCUBXKXUEA-UTUOFQBUSA-N 333.819 4.503 0 50 EJAA C[C@@H]1CN(C(=O)c2cnc(-c3cccs3)s2)c2ccccc21 1875390373 ZOCVJXNSUCPMJD-LLVKDONJSA-N 326.446 4.636 0 50 EJAA CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C1CC1 151403 SHXLQWFLNMWEBC-UHFFFAOYSA-N 343.448 4.557 0 50 EJAA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1OC(F)F 557781 XDPHJRJDPMLWFG-UHFFFAOYSA-N 343.782 4.672 0 50 EJAA O=C(OCc1ccc2ccccc2c1)c1ccccc1Br 618115 UDEYUEPHVUWDRQ-UHFFFAOYSA-N 341.204 4.959 0 50 EJAA CCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2079454 OMGLQZXFTUNBIL-UHFFFAOYSA-N 335.403 4.867 0 50 EJAA C[C@H](NCCC(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1 6260392 BKUWJLSGSGRXBD-CYFREDJKSA-N 345.486 4.920 0 50 EJAA COc1cccc(N2CCN(CCC3=C(C)CCCC3(C)C)CC2)c1 6569649 GMNNWWYFVAEIBM-UHFFFAOYSA-N 342.527 4.734 0 50 EJAA COc1ccccc1-c1c(C)nn2c(C)cc(-c3ccccc3)nc12 22078914 VKBZGJSBYAHMLX-UHFFFAOYSA-N 329.403 4.689 0 50 EJAA COc1ccc(-c2csc(CNCc3ccc(F)cc3)c2)cc1 237452625 DYANEVNULGQSBY-UHFFFAOYSA-N 327.424 4.853 0 50 EJAA COC[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 299817919 ZJWVIZJOTTXJSA-VVIZTZINSA-N 334.500 4.747 0 50 EJAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 374831 LIAUUTUHJQBKJY-LBPRGKRZSA-N 334.529 4.544 0 50 EJAA Cc1ccc(-c2cn3c4ccccc4nc3n2CCNC(C)(C)C)cc1 4333246 UEBRYYCIINWDPW-UHFFFAOYSA-N 346.478 4.653 0 50 EJAA CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1csc(-c2ccccc2Cl)n1 465293885 GSOUIAAFSLOBMU-TZMCWYRMSA-N 348.899 4.653 0 50 EJAA c1cncc([C@@H]2N(c3ncnc4c3oc3ccccc34)CC23CCC3)c1 1336712139 FCCHFIYGPMMTPB-IBGZPJMESA-N 342.402 4.503 0 50 EJAA Cc1cc(NC(=O)[C@]23CCCC[C@@H]2CC(F)(F)C3)cnc1C(F)F 1875328872 PNRCVOUKUSHHTH-BZNIZROVSA-N 344.352 4.872 0 50 EJAA O=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 454237 UDDQQGTXCFGJPG-UHFFFAOYSA-N 343.593 4.687 0 50 EJAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 1234716 KHDFIBIXXCAAKP-NHCUHLMSSA-N 327.427 4.696 0 50 EJAA CCc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NNC2=O)cc1 1397723 DPAPWHAZVRBINK-CQSZACIVSA-N 347.245 4.564 0 50 EJAA CCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 2990795 KOQXUEKSTXXCNW-GHRIWEEISA-N 339.416 4.716 0 50 EJAA CCc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)csc1C 4651943 FZFNBVNNDVIVFH-UHFFFAOYSA-N 331.525 4.955 0 50 EJAA COc1cc(CN2C[C@@H](C)C[C@@H](C)C2)ccc1OCc1ccccc1 4988395 IPERKCREGVUCDW-HDICACEKSA-N 339.479 4.752 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)c1sc2cccc(F)c2c1Cl 13327198 AJHSXBGBNLFFCY-UHFFFAOYSA-N 349.770 4.675 0 50 EJAA C[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccccc1 170615126 IEZJKQCFVLIQDU-CYBMUJFWSA-N 345.851 4.533 0 50 EJAA Cc1csc([C@H]2CCCCN2C(=O)Nc2c(C)noc2C(C)C)n1 932833155 OZRKOWYUXLOTJI-CYBMUJFWSA-N 348.472 4.630 0 50 EJAA c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1 39389 QAIMUUJJAJBPCL-UHFFFAOYSA-N 340.430 4.854 0 50 EJAA in-vitro CCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)cc1 133528 IKVHHTGXGGLUHT-UHFFFAOYSA-N 341.451 4.709 0 50 EJAA Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 362629 DKEICYQEGILTPK-UHFFFAOYSA-N 343.732 4.685 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)NCc3ccco3)cc2)cc1 2875815 MXDWJEOBQJBNAQ-UHFFFAOYSA-N 337.444 4.810 0 50 EJAA COc1ccc(C)cc1NC(=O)N1C[C@H](C)Sc2ccccc21 6876965 WXMADPNTICTSAY-ZDUSSCGKSA-N 328.437 4.536 0 50 EJAA COc1ccc(/C=C(/C(=O)NC2CCCCC2)c2ccccc2)cc1 13895690 MHIYGPYQEOQTJD-LTGZKZEYSA-N 335.447 4.685 0 50 EJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 17988135 JMCJYXSZLBMTGE-PMACEKPBSA-N 349.430 4.775 0 50 EJAA Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1 64985026 JXSHYPIFHMCIDB-QGZVFWFLSA-N 327.428 4.784 0 50 EJAA O=C(COc1ccc2c(c1)CCCC2)Nc1ccc2ccccc2c1 312454 FUWGCPUWAADLRV-UHFFFAOYSA-N 331.415 4.736 0 50 EJAA CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 314135 HABVVNBRYSANIN-DHZHZOJOSA-N 342.826 4.586 0 50 EJAA Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1C 455052 GWQHPUZNLOQEAU-UHFFFAOYSA-N 345.398 4.921 0 50 EJAA CC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 3479750 KPYIXUQHMKFLCW-UHFFFAOYSA-N 333.840 4.664 0 50 EJAA CCOc1c(Cl)cc(Cl)cc1CNCc1ccc(OC)cc1 4841353 RFWGVJHOGNWQLY-UHFFFAOYSA-N 340.250 4.691 0 50 EJAA CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 9141843 MDHCOXYZUDBCBQ-UHFFFAOYSA-N 348.402 4.655 0 50 EJAA CCc1cc(C)c(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C)o1 151994950 PYCPFTKAMVYFED-UHFFFAOYSA-N 343.814 4.550 0 50 EJAA C[C@H]1C[C@H](CC(=O)N2CCC(OC3CCCC3)CC2)CC(C)(C)C1 170620588 KXRCRNJZKXINSK-DLBZAZTESA-N 335.532 4.789 0 50 EJAA Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)nc(Cl)c1Cl 1775955621 LINMJKWSOBRDMN-UHFFFAOYSA-N 342.535 4.826 0 50 EJAA COc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccccc2O)cc1 178467 LPVVIAKWGNRRDB-HXUWFJFHSA-N 347.414 4.562 0 50 EJAA COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1 396400 WCCHVYYZOCJPRL-UHFFFAOYSA-N 348.446 4.928 0 50 EJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 453122 BZOJPPQCOBVZCJ-QGZVFWFLSA-N 347.414 4.672 0 50 EJAA CC(C)c1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)cc1 467750 LBOFREDNKUUXQR-UHFFFAOYSA-N 336.391 4.629 0 50 EJAA Cc1c(C)n(C[C@@H](O)CNc2ccc(C(C)C)cc2)c2ccccc12 571483 SFXOVKWWFWTBEK-FQEVSTJZSA-N 336.479 4.855 0 50 EJAA Cc1cc(C)c(C)c(-c2csc(CC(=O)Nc3ccccc3)n2)c1 613218 DXSJYVIFWNKUNM-UHFFFAOYSA-N 336.460 4.917 0 50 EJAA COc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 619212 UDBWXHJORJLTDK-UHFFFAOYSA-N 327.236 4.811 0 50 EJAA CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 1535009 RVAKDGYPIVSYEU-UHFFFAOYSA-N 343.515 4.866 0 50 EJAA biogenic,investigational Cc1cc(C)cc(NC(=S)NC(=O)c2cccc3ccccc23)c1 2840185 RPWDWBCGCVVGOK-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 2841711 HIOBXSMGEGTBFK-UHFFFAOYSA-N 344.263 4.517 0 50 EJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1 4257231 KHLBUULYSSYOLM-UHFFFAOYSA-N 348.377 4.639 0 50 EJAA Cc1cccnc1CNC(=O)c1cc(-c2ccccc2Cl)oc1C 55036448 WUIUXSAJLONKPH-UHFFFAOYSA-N 340.810 4.542 0 50 EJAA Cc1ccc(Cl)c(CN2CCC(c3nccn3C(C)C)CC2)c1F 95385154 PZZYXYJJFOLXSI-UHFFFAOYSA-N 349.881 4.945 0 50 EJAA CO[C@H](C)c1nc(C)c(C(=O)N2CCCCC[C@@H]2CC(C)C)s1 176849444 POVIWYLCSOSZFF-HUUCEWRRSA-N 338.517 4.590 0 50 EJAA C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 229571933 BWZZFAIARHLJQN-KURKYZTESA-N 336.479 4.659 0 50 EJAA Cc1cccc(CN(C(=O)C[C@@H](C)n2ccnc2)C2CCCCC2)c1 952988327 PZSSKSPWTRGLKI-GOSISDBHSA-N 339.483 4.504 0 50 EJAA Cc1noc(CC2(N[C@@H](C)c3ccc(-c4cccs4)cc3)CC2)n1 2325829766 RZXMNBKHLLMZQF-ZDUSSCGKSA-N 339.464 4.532 0 50 EJAA O=c1cc[nH]c2ccc(Nc3ccc(-c4cccc(F)c4F)cn3)cc12 2356133945 OQTXEBFQWXOYDI-UHFFFAOYSA-N 349.340 4.612 0 50 EJAA CCCc1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 146486 AODQDRYTTGYNIY-UHFFFAOYSA-N 340.467 4.503 0 50 EJAA Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 449003 RVMQHAZVEUQQPA-QGZVFWFLSA-N 331.415 4.543 0 50 EJAA CCCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 2814558 STJUAAJWDYXPMS-GHXNOFRVSA-N 330.236 4.830 0 50 EJAA Cc1cc(N[C@@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 5576294 FAUYABAGAKLIGZ-INIZCTEOSA-N 328.419 4.878 0 50 EJAA Clc1ccccc1COc1ccc(CNCc2ccccn2)cc1 6704045 DBQVOHIQFCSZSA-UHFFFAOYSA-N 338.838 4.604 0 50 EJAA Cc1cc(C)c(-c2nccn2Cc2nncn2C2CCCCC2)cc1C 72119523 QEQINRBPHXJUHO-UHFFFAOYSA-N 349.482 4.620 0 50 EJAA c1ccc2nc(N3CCC[C@H](c4nccn4CC4CCC4)C3)ccc2c1 95379257 QJBBEGKBWRXUHO-IBGZPJMESA-N 346.478 4.615 0 50 EJAA CC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cc(F)ccc1F 740799819 WHTCUHHXKGYATA-LBPRGKRZSA-N 345.176 4.548 0 50 EJAA Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 104556 HZOFORLMMGWSQR-OAQYLSRUSA-N 328.415 4.762 0 50 EJAA Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)O 218826 DLRRYGJBGBBQBK-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA Cc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1 253252 YFYQAOBVHCSVDP-UHFFFAOYSA-N 342.395 4.628 0 50 EJAA CC(C)NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 468276 YHTDHMVLQCMHSP-UHFFFAOYSA-N 338.234 4.711 0 50 EJAA COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)c1 620823 WZWYSHPCOURSJD-QFIPXVFZSA-N 345.442 4.831 0 50 EJAA Cc1ccc(SCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 1062684 FXGNCNSLYLFSBG-UHFFFAOYSA-N 348.471 4.612 0 50 EJAA Brc1c(OCCCN2CCCCC2)ccc2ccccc12 3002251 JQSXEGBSIANEPF-UHFFFAOYSA-N 348.284 4.857 0 50 EJAA CSc1cccc(NC(=O)N2CCC(Cc3ccccc3)CC2)c1 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4.570 0 50 EJAA C[C@@H](NC[C@@H](O)c1cc2ccccc2s1)c1ccc(C(F)F)nc1 850441452 ZAGGZFQPDISTGE-IAQYHMDHSA-N 348.418 4.618 0 50 EJAA O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)OCC(F)F 1875360936 MMTMCEGOCAFWMZ-QGZVFWFLSA-N 331.318 4.514 0 50 EJAA O=C(Nc1ccccc1)Nc1ccccc1NC(=O)Nc1ccccc1 28416 JTFHVFVJOFNNCI-UHFFFAOYSA-N 346.390 4.975 0 50 EJAA CCOc1ccccc1Nc1ncnc2ccc(Br)cc12 84945 VWLSZPJZTQLOJS-UHFFFAOYSA-N 344.212 4.535 0 50 EJAA Cc1cccc(C)c1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 174537 QDIBROZJVKGXOA-JOCHJYFZSA-N 330.383 4.754 0 50 EJAA Cc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 304216 LXANXEZGYAETHP-UHFFFAOYSA-N 326.783 4.864 0 50 EJAA O=C1C[C@@H](c2ccc(Cl)cc2)CN1C(=O)Nc1ccc(Cl)cc1 435549 IOZXNQQOZUNCNP-GFCCVEGCSA-N 349.217 4.541 0 50 EJAA CCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 1220020 URPZHIIVMJVDHN-UHFFFAOYSA-N 337.206 4.594 0 50 EJAA Oc1ccccc1-c1nc(Nc2cccc(F)c2)c2ccccc2n1 1302734 MUBZHTSGAUKMLB-UHFFFAOYSA-N 331.350 4.885 0 50 EJAA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1 2987933 HFQAKYAHERVUPT-SECBINFHSA-N 336.178 4.578 0 50 EJAA O=C(Nc1ccc(Cc2ccncc2)cc1)C12CC3CC(CC(C3)C1)C2 4798039 RXYQMANQWJVPLZ-UHFFFAOYSA-N 346.474 4.827 0 50 EJAA CC1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1 4998905 NPNQFLZQGZLOBC-UHFFFAOYSA-N 334.419 4.921 0 50 EJAA COc1ccc(-c2nc(CN3CC[C@@H]4CCCC[C@H]4C3)c(C)o2)cc1 14980288 ZMSWCRJLLFTFTL-WMZOPIPTSA-N 340.467 4.671 0 50 EJAA Cc1nc([C@H](C)Nc2ccc(SCc3ccccc3)cn2)cn1C 241810051 SCSJJKSGFXLQPB-AWEZNQCLSA-N 338.480 4.589 0 50 EJAA CCCC[C@@H](CCC)NC(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1469181702 GCFOSTTWCTWQBZ-LZWOXQAQSA-N 334.426 4.719 0 50 EJAA O=C(Nc1ccc2ccccc2c1)c1cccc(Br)c1 58943 QYNIRMPFRLVBEI-UHFFFAOYSA-N 326.193 4.855 0 50 EJAA Cc1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1 858556 MQAVYCUOCYJPDJ-UHFFFAOYSA-N 331.415 4.573 0 50 EJAA aggregator Cc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc(C)c1O 4649480 NPRRZUQQVVUABQ-NRFANRHFSA-N 344.414 4.780 0 50 EJAA CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OCC)cc3)=NN12 6046045 FSVQBXUFAOCYLX-FPOVZHCZSA-N 336.435 4.755 0 50 EJAA COc1ccccc1C(=O)Nc1ccc2c(c1)COc1ccccc1O2 6668565 JVUZOOJQUHUMJZ-UHFFFAOYSA-N 347.370 4.632 0 50 EJAA CC(C)=CCN1CCC[C@H](c2[nH]ncc2-c2cc(F)ccc2F)C1 11912260 KUTXTNKUJILMOZ-AWEZNQCLSA-N 331.410 4.501 0 50 EJAA COc1cc(-c2c(-c3ccccc3)ncn2CCF)cc(Cl)c1O 65470513 STUVQFINLZBJDW-UHFFFAOYSA-N 346.789 4.554 0 50 EJAA C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 170620756 IEZROHBAMXOHRN-AWEZNQCLSA-N 342.414 4.667 0 50 EJAA CSc1cccc(C)c1NC(=O)N1CCC(c2nccs2)CC1 253427498 BXOUHLBDVCGPSR-UHFFFAOYSA-N 347.509 4.585 0 50 EJAA CCOc1ccccc1[C@H](CC)NC[C@@H](O)c1cccc(Cl)c1 775087838 RROIKMYBNIGNAX-ZWKOTPCHSA-N 333.859 4.513 0 50 EJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1C 1776004157 LOSFWEBUQXYVLX-UHFFFAOYSA-N 347.480 4.545 0 50 EJAA CCOc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1172631 BEPGIOMMGIGEOL-OAHLLOKOSA-N 325.452 4.874 0 50 EJAA COc1ccc(CCNCc2ccc(-c3ccccc3)cc2)cc1OC 2181823 GUJLSPBIMKSORO-UHFFFAOYSA-N 347.458 4.703 0 50 EJAA Cc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)s1 2810377 PORPLPLTSDMRCT-JYRVWZFOSA-N 335.837 4.951 0 50 EJAA Cc1ccc2occ(CN3CC=C(c4ccc(F)cc4)CC3)c(=O)c2c1 6667500 WOGMCGRSBYEMQY-UHFFFAOYSA-N 349.405 4.530 0 50 EJAA COc1ccc2cc(-c3n[nH]cc3CNC3CCCCC3)ccc2c1 11936657 BNFOJAJSZLFDDY-UHFFFAOYSA-N 335.451 4.661 0 50 EJAA CCc1ccc([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1 13327782 VKIIBSNUJYEVKI-CQSZACIVSA-N 334.419 4.703 0 50 EJAA COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)cc1 14398445 HVLJHYMDJLOWQZ-UHFFFAOYSA-N 344.842 4.591 0 50 EJAA Cc1nn(C)cc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 189723892 QINQKWDDSJPUBG-QGZVFWFLSA-N 346.862 4.531 0 50 EJAA CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2o1 326793847 QRRBZVZYPXITFF-UHFFFAOYSA-N 333.391 4.614 0 50 EJAA COCCC[C@H]1CCCN(C(=O)c2ccc(-c3cccs3)cc2)C1 426535353 ZLDABIHDKOEMMY-MRXNPFEDSA-N 343.492 4.694 0 50 EJAA Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(N(C)C)c1 1442642391 UBRBYPSPPRTMQZ-UHFFFAOYSA-N 344.458 4.658 0 50 EJAA CC1(C)CN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CC(=O)O 2325788068 JXFUBEATVQZDGH-CQSZACIVSA-N 347.842 4.533 0 50 EJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(C)c2)c1 467696 YERLPDRILJQTIF-UHFFFAOYSA-N 330.815 4.639 0 50 EJAA CCCCOc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2)c1 2052358 OEPQXGHLHUIHQZ-UHFFFAOYSA-N 340.467 4.964 0 50 EJAA Cc1cc(Cl)c(OCCCNC2CCCC2)c(Br)c1 2845194 YHNQYEQBWINYML-UHFFFAOYSA-N 346.696 4.712 0 50 EJAA CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1 2861354 RVPRJTOEUWYJDA-UHFFFAOYSA-N 346.427 4.593 0 50 EJAA CCOc1ccc2nc(NC(=S)Nc3ccccc3)sc2c1 3468727 XWTHFARYIFHYHK-UHFFFAOYSA-N 329.450 4.504 0 50 EJAA CC1(C)CC[C@H](NC(=O)CCc2ccco2)[C@@H](c2ccccc2)C1 1462374938 ZQRXVWBZRFTCTB-MOPGFXCFSA-N 325.452 4.691 0 50 EJAA Cc1cc(Oc2ccccc2)nc(N2CC[C@@H]2c2cccc(F)c2)n1 1875333992 SSSOIGRJUGCJMD-GOSISDBHSA-N 335.382 4.668 0 50 EJAA COCCn1cc(-c2cccc(Oc3ccc(Cl)cc3)c2)cn1 1875340217 QPKNIEHGJBASDR-UHFFFAOYSA-N 328.799 4.642 0 50 EJAA O=C(O)c1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 54641 GENNKIPKBYUMBY-UHFFFAOYSA-N 344.581 4.597 0 50 EJAA CC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2472236 NZVMBLBTOFAPPJ-UHFFFAOYSA-N 344.414 4.589 0 50 EJAA Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)o1 9667355 AQSCTDAVXVHARM-NSHDSACASA-N 342.464 4.704 0 50 EJAA COc1ccc([C@@H](CC(=O)N2CCCCCC2)c2ccccc2)cc1 12030396 UVQSQWFIWVQTMJ-NRFANRHFSA-N 337.463 4.620 0 50 EJAA CCOc1ccccc1-c1nc(CN(C)Cc2ccccc2)c(C)o1 12385585 NLXAKALIBPONIQ-UHFFFAOYSA-N 336.435 4.681 0 50 EJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1C 13329539 MDLHMQLVNKTFKS-IAQYHMDHSA-N 332.831 4.612 0 50 EJAA Cc1cccc(NC(=O)CCC2CCN(C[C@H]3CC=CCC3)CC2)c1 15070019 QRHWFSGFRBHOBQ-FQEVSTJZSA-N 340.511 4.782 0 50 EJAA COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2SC)c1 43318750 XAMRAHZDVBGASF-KRWDZBQOSA-N 342.464 4.786 0 50 EJAA CC(=O)c1csc(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1 154178701 PYGXVEQZTHPCFP-OAHLLOKOSA-N 331.437 4.610 0 50 EJAA O=c1c(CN2CCC[C@H]3CCCC[C@H]32)coc2ccc(Cl)cc12 230136201 UGFOCSQYKWFHRV-CXAGYDPISA-N 331.843 4.601 0 50 EJAA CCCc1cnc(C)nc1NCc1cc(-c2cccc(Cl)c2)no1 1704339782 MFXQHCRIKLFTCC-UHFFFAOYSA-N 342.830 4.658 0 50 EJAA CCc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1 1875318054 BTCLJNIBVLNWDS-UHFFFAOYSA-N 345.247 4.632 0 50 EJAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 305271 STMOQJIPEGYFOJ-VQHVLOKHSA-N 348.333 4.879 0 50 EJAA CN(Cc1ccccc1NC(=O)N(C)c1ccccc1)c1ccccc1 399078 NPVXQHLZCKDYLD-UHFFFAOYSA-N 345.446 4.991 0 50 EJAA Cc1cccc(NC(=O)Oc2cc(C)c(Br)cc2C)c1 399306 XHITWGYMUQFDRS-UHFFFAOYSA-N 334.213 4.985 0 50 EJAA COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 451773 DUFKPNHMODYJCC-UHFFFAOYSA-N 343.732 4.549 0 50 EJAA Cc1cccc(C)c1NC(=S)NC(=O)c1cccc2ccccc12 453811 AMYQBAPHCDXMHU-UHFFFAOYSA-N 334.444 4.583 0 50 EJAA CCc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1 459599 OIVLJYJJCCKHCN-UHFFFAOYSA-N 338.234 4.882 0 50 EJAA O=C(COc1cccc2ccccc12)c1ccc(Br)cc1 473544 BSZVCDXJIAYDDD-UHFFFAOYSA-N 341.204 4.864 0 50 EJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 476025 FZZQDIDKXOQRRZ-JTQLQIEISA-N 343.732 4.765 0 50 EJAA CCOc1cccc(C(=O)Nc2ccccc2N2CCC(C)CC2)c1 1115793 VNLAKMCHJVERRQ-UHFFFAOYSA-N 338.451 4.574 0 50 EJAA COc1ccccc1OCCCOc1c(Cl)cccc1Cl 2904273 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Cc1c(NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)n[nH]c1C1CC1 796092756 IHPNDXUILSRHQA-ZDUSSCGKSA-N 325.456 4.536 0 50 EJAA CC(C)O[C@H](CN[C@@H]1CCSc2ccccc21)c1ccccc1 2325829396 IXLZJZGTFMMRLU-RTBURBONSA-N 327.493 4.979 0 50 EJAA CCOc1cccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1 2526034 PFAGEXLXCWDYDH-UHFFFAOYSA-N 327.767 4.652 0 50 EJAA C/C=C/c1ccc(OCCCCn2cnc3ccccc32)c(OC)c1 2868388 PBEQJRYCXKAJRV-FPYGCLRLSA-N 336.435 4.937 0 50 EJAA CCc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 4723335 MPIKLFFYHIWWSV-UHFFFAOYSA-N 343.386 4.705 0 50 EJAA CCc1noc([C@H](C)n2cnc(-c3ccccc3)c2-c2ccc(C)o2)n1 65465392 OELDGNMLVWZSAN-AWEZNQCLSA-N 348.406 4.673 0 50 EJAA COCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccccc1 71385151 DCZGIQRMZAHTSO-UHFFFAOYSA-N 349.821 4.863 0 50 EJAA COc1cc(C)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c(C)c1C 253420098 LYBLSVDSRNHLDD-HOTGVXAUSA-N 345.389 4.641 0 50 EJAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254046652 IQGZWLYDESGLID-OAWXYTOASA-N 330.512 4.905 0 50 EJAA COc1cccc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1 888103951 NNLCGHCKGOHSBD-UHFFFAOYSA-N 342.395 4.519 0 50 EJAA Cc1ccn(-c2cccc(N[C@H]3CCC[C@H](c4cccnc4)C3)c2)n1 2325700448 SNYSZLRMDFUVBR-HKUYNNGSSA-N 332.451 4.714 0 50 EJAA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccnc1 315816 HPJSUNWOFGGLLJ-UHFFFAOYSA-N 349.777 4.796 0 50 EJAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1F 472749 FIDUJOGRAORYTC-UHFFFAOYSA-N 327.783 4.739 0 50 EJAA CC(C)Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)o1 1061600 SRFCYZJENPGQEV-UHFFFAOYSA-N 347.414 4.961 0 50 EJAA O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 2544935 VBWSZGWXULBGMI-UHFFFAOYSA-N 343.597 4.609 0 50 EJAA C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 4098822 ITDOFWOJEDZPCF-FNINDUDTSA-N 326.392 4.680 0 50 EJAA biogenic,in-vitro O=C(COc1ccc(Cl)cc1Cl)OC/C=C\c1ccccc1 5101883 QFDJGEDXDLZVNB-DAXSKMNVSA-N 337.202 4.629 0 50 EJAA Cc1cc(Nc2ccc(F)cc2)n2nc(C)c(-c3ccccc3)c2n1 5562920 IADSCBRTAOTNAX-UHFFFAOYSA-N 332.382 4.896 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1 5699288 ODPIQHFTFVKLNE-UHFFFAOYSA-N 346.308 4.921 0 50 EJAA CCCc1nnc(NC(=O)Cc2coc3ccc(C(C)C)cc23)s1 6809913 GQKRWVLKTNRCFU-UHFFFAOYSA-N 343.452 4.541 0 50 EJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3cccs3)oc2C)c1 12713962 WSVGXQMJHFXMOB-ZDUSSCGKSA-N 342.464 4.913 0 50 EJAA CCOc1ccccc1NC(=S)N[C@H](C)c1cc(C)ccc1C 13931263 QYFMQDRFQWQQTM-OAHLLOKOSA-N 328.481 4.750 0 50 EJAA COCc1ccc(NC(=O)Nc2ccc(-c3nccs3)cc2)cc1 252482137 CZMUDUOTOHBDFZ-UHFFFAOYSA-N 339.420 4.601 0 50 EJAA CC1(C)CC[C@@H](NC(=O)CCc2ccco2)[C@@H](c2ccccc2)C1 1462374959 ZQRXVWBZRFTCTB-RTBURBONSA-N 325.452 4.691 0 50 EJAA O=C(Nc1ccccc1-c1cnn(-c2ccccc2)c1)c1ccccc1 1495396 UUGGUVXABPWODI-UHFFFAOYSA-N 339.398 4.792 0 50 EJAA CCc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2281619 CYSQBFQKLMKXSG-GOSISDBHSA-N 344.458 4.830 0 50 EJAA COc1ccc(Cl)cc1NC(=O)Cc1ccc(Cl)cc1Cl 2794883 DQQAQYTUBLSKOM-UHFFFAOYSA-N 344.625 4.837 0 50 EJAA Oc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 6669561 LZBUNVKDSYQTBV-UHFFFAOYSA-N 331.419 4.507 0 50 EJAA Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1 13122319 HJBOXJGETYZTCL-FOCLMDBBSA-N 339.398 4.810 0 50 EJAA aggregator Cc1ccc(C)c([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 225585835 BJYMSRBNKVCHQP-KRWDZBQOSA-N 336.464 4.558 0 50 EJAA Cc1cccc(F)c1NC(=O)N[C@H](c1ccccc1)c1nccs1 253429731 UZTWUMBYQKCBOQ-MRXNPFEDSA-N 341.411 4.502 0 50 EJAA C[C@H](c1nc(-c2ccoc2)nn1C1CCCC1)N1CCCCCC1 1875348203 JDAMNBKLCRTFIG-OAHLLOKOSA-N 328.460 4.590 0 50 EJAA Fc1c(N2CCC[C@@H]2c2cccnc2)ccc2c(Cl)ccnc12 2325743757 ANUZGRJASQDFDO-OAHLLOKOSA-N 327.790 4.764 0 50 EJAA CC(C)c1ccccc1NC(=O)[C@@H](C)NCC1CC(=C2CCC2)C1 2325850105 LYZOBFXKMFMREJ-OAHLLOKOSA-N 326.484 4.617 0 50 EJAA CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 458685 JFVNWZZWPRBXNV-VGOFMYFVSA-N 336.435 4.594 0 50 EJAA CCOC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1C 465805 GBTWWLUTNGXGIU-UHFFFAOYSA-N 331.224 4.679 0 50 EJAA COc1ccc(-c2csc3nc(-c4ccc(C)cc4)oc(=O)c23)cc1 572666 XFLKTBBJDSHHTJ-UHFFFAOYSA-N 349.411 4.901 0 50 EJAA CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 1077165 DYRCVZOHLWEVRH-KRWDZBQOSA-N 333.218 4.691 0 50 EJAA Cc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320429 ITNSYYDBHYASPB-UHFFFAOYSA-N 342.748 4.989 0 50 EJAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 64985004 IQIYDKKYXBQKKM-HNNXBMFYSA-N 333.819 4.820 0 50 EJAA CC(C)c1nc(CN(C)Cc2cc(CN3CCCC3)cs2)cs1 77419432 KONBMQBDWIPSMS-UHFFFAOYSA-N 349.569 4.556 0 50 EJAA CO[C@@H]1CCC[C@@]12CCCN(c1nc3ccc(Cl)cc3s1)C2 1704339280 PYEWRHXPUZNKAW-WBVHZDCISA-N 336.888 4.735 0 50 EJAA CO[C@@H]1CCC[C@]12CCCN(Cc1[nH]c3c(C)cccc3c1C)C2 1704358198 FHYGSVQYAJULFM-TZIWHRDSSA-N 326.484 4.566 0 50 EJAA Cc1ccc(CN(C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)o1 1875252160 YOWSECYBMJBMRB-VYLDAASFSA-N 325.408 4.509 0 50 EJAA COc1ccc(NC(=O)c2c(N)sc(-c3ccccc3)c2C)cc1 127318 XZQQJTYZNVAWRS-UHFFFAOYSA-N 338.432 4.567 0 50 EJAA CCCc1cc(=O)oc2c(C)c(OCc3cccc(F)c3)ccc12 317152 AQORIADXMZZNAU-UHFFFAOYSA-N 326.367 4.772 0 50 EJAA O=C(NCCC(c1ccccc1)c1ccccc1)NC1CCCCC1 376557 WTOAQUSOOSSPTF-UHFFFAOYSA-N 336.479 4.841 0 50 EJAA Cc1cc(C)c(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C 2836449 ZWARGTRWIVKLDL-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA COc1cc(CN2CCC[C@@H](C)C2)ccc1OCc1ccccc1 4989095 MPWOWXODBGEVGT-QGZVFWFLSA-N 325.452 4.506 0 50 EJAA Clc1ccccc1[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 225585213 DYXIDZCUKZCZKO-HNNXBMFYSA-N 342.855 4.595 0 50 EJAA CC1(C)CN(C(=O)c2cnoc2-c2ccccc2)C[C@H]1c1ccccc1 426602515 NXMPPKVKZGYYCJ-IBGZPJMESA-N 346.430 4.607 0 50 EJAA C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCc1ccccc1 675050438 IYKUBWYGMWVVDO-HNNXBMFYSA-N 327.424 4.851 0 50 EJAA Cc1ccc2c(C)cc(N3CCC(Oc4cccnc4)CC3)nc2c1C 1529189135 ICUAMNRAYUXFJF-UHFFFAOYSA-N 347.462 4.603 0 50 EJAA Cc1ccc(-c2cnccn2)cc1N[C@H](C)CCCc1cccnc1 2325750932 CELPUWLAUMIGSK-QGZVFWFLSA-N 332.451 4.670 0 50 EJAA CCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 2332237325 YUTBANUSNJNURQ-YPKPFQOOSA-N 333.387 4.881 0 50 EJAA O=C(NCc1ccccn1)N1c2ccccc2Sc2ccccc21 88012 BTXOHFJHZWJHLC-UHFFFAOYSA-N 333.416 4.594 0 50 EJAA Clc1ccccc1-c1nnc(-c2ccccc2Br)o1 296042 ANMKKVSWWFVLAG-UHFFFAOYSA-N 335.588 4.820 0 50 EJAA COc1cccc(OC)c1C(=O)Nc1ccc(-c2ccccc2)cc1 297371 LUWWVQKAGKHMLP-UHFFFAOYSA-N 333.387 4.623 0 50 EJAA CCc1cc(Br)ccc1NC(=O)CCCc1ccccc1 372467 GFYSREZTKOHIEJ-UHFFFAOYSA-N 346.268 4.973 0 50 EJAA O=C(/C=C/c1cccs1)Nc1ncc(Cc2ccc(F)cc2)s1 448816 HVJJGHMSCRNRTO-BQYQJAHWSA-N 344.436 4.586 0 50 EJAA CCn1c(SCc2cccc3ccccc23)nnc1-c1ccccn1 532353 KNWZLOJBNBFDND-UHFFFAOYSA-N 346.459 4.806 0 50 EJAA Fc1ccccc1COc1ccc(C(=S)N2CCCC2)cc1Cl 615583 FYSDABYDQCSYCU-UHFFFAOYSA-N 349.858 4.829 0 50 EJAA COc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1 1123469 RQNFTPCBLDEVRC-UHFFFAOYSA-N 330.384 4.710 0 50 EJAA CCOc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 2544848 JEMJGNPGJJRDRN-UHFFFAOYSA-N 325.191 4.749 0 50 EJAA CCc1cccc(CC)c1NC(=O)c1ccc(Br)s1 13326545 UIIQULWDPRACLZ-UHFFFAOYSA-N 338.270 4.888 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(C(C)(C)C)cs1 13330695 AVBIJCXWANKDCU-UHFFFAOYSA-N 341.436 4.656 0 50 EJAA CSc1cccc(CN(C(=O)c2ccc(F)cc2F)C(C)C)c1 1506395098 CCZITYUWNDDDDH-UHFFFAOYSA-N 335.419 4.738 0 50 EJAA Cc1ccccc1C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 203148 SYMDGFPOQUNZIR-UHFFFAOYSA-N 327.387 4.562 0 50 EJAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1Br 2755351 LHBKEJQTVQLMPZ-UHFFFAOYSA-N 325.593 4.747 0 50 EJAA CCc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 4341509 WOPDFABNNZWVRV-UHFFFAOYSA-N 328.213 4.698 0 50 EJAA CCCCCOc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O 4956048 USZGBMPKONCLGV-OBGWFSINSA-N 335.403 4.600 0 50 EJAA CCCN(CCC)C(=O)c1cc(-c2ccccn2)nc2ccccc12 8048313 QQWMZGQBDAJZRX-UHFFFAOYSA-N 333.435 4.559 0 50 EJAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(C[C@@H](C)c2ccccc2)C1 12244014 XLIYENZIUOKTLX-IEBWSBKVSA-N 325.500 4.591 0 50 EJAA CC(=O)c1cccc(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 12307992 ZERXAFGEKLQTFD-QFIPXVFZSA-N 336.479 4.583 0 50 EJAA FC(F)(F)c1cc(Br)cc(Br)c1Cl 66312885 YPISBIZKLWHNPX-UHFFFAOYSA-N 338.348 4.884 0 50 EJAA COC[C@H]1CCCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 96141801 MBLZPTLPNCCNME-LJQANCHMSA-N 342.414 4.526 0 50 EJAA CC(C)c1ccc(CNCc2nn(-c3ccccc3)c3c2CCC3)cc1 170630990 BKNIVXVTJOLSDT-UHFFFAOYSA-N 345.490 4.774 0 50 EJAA Oc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 215850271 UYRKZXFQSGTXST-UHFFFAOYSA-N 349.615 4.661 0 50 EJAA CN1CCC[C@@H](O[C@H]2c3ccccc3CSc3ccccc32)CC1 252490103 KJDWUCZKWFAWFB-UTKZUKDTSA-N 339.504 4.883 0 50 EJAA Clc1cccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)c1 252508635 XQCJHYDOWHNOSY-UHFFFAOYSA-N 333.842 4.679 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1C 332130003 BSTFFQHPNXMBSZ-RLFYNMQTSA-N 340.471 4.572 0 50 EJAA Cc1sc2nc(-c3cncs3)nc(O)c2c1-c1ccc(F)cc1 426087573 FKMPQFHCUFUOMM-UHFFFAOYSA-N 343.408 4.635 0 50 EJAA C[C@@H]1CN(Cc2cnc(O)c3ccccc23)CC[C@@H]1c1ccccc1 1167500118 RSZHDZZECXVGFL-APWZRJJASA-N 332.447 4.566 0 50 EJAA CC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(F)(F)F)cc1 53821 SUWNPQDHHDOQMK-UHFFFAOYSA-N 347.292 4.907 0 50 EJAA C[C@H]1CCc2c(sc3ncn4c(C5CCCCC5)nnc4c23)C1 98624 OVQSTBBQVMKGFM-NSHDSACASA-N 326.469 4.512 0 50 EJAA Cc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@H](C)C(C)(C)C)c2c1 477186 RYFWAHWGBAEBBN-OAHLLOKOSA-N 347.462 4.770 0 50 EJAA CCCOC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 1771329 SCZDTMQPXWHGFE-UHFFFAOYSA-N 332.787 4.551 0 50 EJAA CCOC(=O)c1c(N)sc(C)c1-c1ccc(Cl)cc1Cl 5796776 NPZCPQRLAGXFLH-UHFFFAOYSA-N 330.236 4.789 0 50 EJAA O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 6927876 NUCLDLOABHOOOA-UHFFFAOYSA-N 328.824 4.645 0 50 EJAA COCCN(Cc1nc(-c2cccc3ccccc23)oc1C)C(C)C 12387447 QGFNONGYSZEYGX-UHFFFAOYSA-N 338.451 4.660 0 50 EJAA Cc1cccnc1[C@H](C)n1cc(-c2ccccc2-c2ccco2)nn1 91914815 SWJJECGTMVIQBB-HNNXBMFYSA-N 330.391 4.518 0 50 EJAA CC(=O)N1c2cc(C)cc(C)c2[C@@H]2OCC[C@H]2[C@@H]1c1cccs1 222417509 NOCGPOGIVZUDDQ-GDIGMMSISA-N 327.449 4.550 0 50 EJAA O=C(O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@H]1C(=O)c1ccccc1 239296815 DKWBQLNOCXTUPX-MTQWCTHYSA-N 338.447 4.877 0 50 EJAA CN1C(=O)N(c2cccc(-c3cccs3)c2)C(=O)[C@H]1c1ccccc1 445901458 XDOAUYOTSKWDDB-GOSISDBHSA-N 348.427 4.555 0 50 EJAA Cc1ccc2c(CC(=O)Nc3ccc4oc(C(C)C)nc4c3)c[nH]c2c1 726158932 JUUZYVRFAIKVEO-UHFFFAOYSA-N 347.418 4.922 0 50 EJAA S=C(Nc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 96761 UCIYYZVCWTXJKJ-HXUWFJFHSA-N 332.472 4.957 0 50 EJAA O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1 106730 ZLEFCCOOOKVKQS-UHFFFAOYSA-N 325.195 4.526 0 50 EJAA CCOc1ccc(-c2nc([C@H]3COc4ccccc4O3)cs2)cc1 197698 GSFWNYXUHRKUPD-GOSISDBHSA-N 339.416 4.721 0 50 EJAA CC1(C)Nc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O 267415 JYPCNPRHNHLGQY-UHFFFAOYSA-N 335.234 4.731 0 50 EJAA COc1ccc(/C=C/C2=CCN(Cc3ccc(OC)cc3)CC2)cc1 283421 NBQRFXCCXHXRCS-ONEGZZNKSA-N 335.447 4.549 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccncc2)cc1 335352 MISGYSWXLAXQAX-NRFANRHFSA-N 342.442 4.643 0 50 EJAA O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)cc1 372166 RUDBCCJWNHZMMC-UHFFFAOYSA-N 344.823 4.628 0 50 EJAA Cc1ccc2c(c1)CCCN2C(=O)c1csc2c1CC[C@H](C)C2 1460322 VVKPTLHCNAWMNH-AWEZNQCLSA-N 325.477 4.774 0 50 EJAA CCCCOC(=O)c1ccc(NC(=O)Nc2c(C)cccc2C)cc1 1741826 IJVXNYXRCUJAGT-UHFFFAOYSA-N 340.423 4.904 0 50 EJAA Cc1cccc2c(C(=O)n3cccn3)cc(-c3ccccc3Cl)nc12 2867593 ACENVHMHQIXQNE-UHFFFAOYSA-N 347.805 4.749 0 50 EJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)C(C1CC1)C1CC1 12385259 MKALWLAOBJAOEA-UHFFFAOYSA-N 330.859 4.924 0 50 EJAA Cc1ccc([C@@H](C)CCN2CCC(O)(c3ccc(Cl)cc3)CC2)o1 22077760 MWAJZRWGOUSUHX-HNNXBMFYSA-N 347.886 4.719 0 50 EJAA CCc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 64984999 PZHLVQHPONWFGW-KRWDZBQOSA-N 327.428 4.729 0 50 EJAA NCCCCCCCCCCCCNC(=O)OCc1ccccc1 225822524 ACMMAQCKZDNEIQ-UHFFFAOYSA-N 334.504 4.773 0 50 EJAA Cc1c(C2CCCCC2)noc1NC(=O)c1noc2c1CCCCC2 297675243 GQJIQVYZSIJCHV-UHFFFAOYSA-N 343.427 4.540 0 50 EJAA CC(C)(C)c1ccc(C(=O)NCCc2coc(-c3ccccc3)n2)cc1 1321166116 NLLMOYGEOYUDJT-UHFFFAOYSA-N 348.446 4.612 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl 176130 NICDJGKGFNFYTN-UHFFFAOYSA-N 331.780 4.536 0 50 EJAA CCOc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 194238 XODPTEDFIKTXCZ-UHFFFAOYSA-N 332.812 4.601 0 50 EJAA CCSc1ccc2nc(-c3ccc(Br)cc3)cn2c1 337766 MHSTZOUFFVHSFQ-UHFFFAOYSA-N 333.254 4.876 0 50 EJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc(C)c1C 441746 NGIDOOVGAOSVPN-ZHACJKMWSA-N 343.448 4.502 0 50 EJAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 460355 FHFCAGKROYCAGE-SECBINFHSA-N 327.783 4.738 0 50 EJAA Cc1ccc(CSc2nc3c(c(NC(C)C)n2)CCCC3)cc1 1393089 LJGNDEUZCLXCKA-UHFFFAOYSA-N 327.497 4.776 0 50 EJAA C/C=C/c1ccc(OCCCCOc2ccccc2C=O)c(OC)c1 2984225 YZRNDWVNJNYUSU-FPYGCLRLSA-N 340.419 4.779 0 50 EJAA O=C(O)c1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1 4638908 YLVAVAKKAHNAKE-UHFFFAOYSA-N 332.331 4.530 0 50 EJAA Cc1occc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 4805906 UTVCEPZCFHCTIV-UHFFFAOYSA-N 342.464 4.765 0 50 EJAA CC(C)c1nc2cc(C(=O)N(C)Cc3ccccc3Cl)ccc2o1 12373414 ABMYGVOJUPOXIW-UHFFFAOYSA-N 342.826 4.877 0 50 EJAA C[C@@H]1C[C@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 239667374 BPTPWNQCCVWLBB-AUJRIZCKSA-N 348.402 4.763 0 50 EJAA Cc1ccc([C@@H](C)NC(=O)c2cccnc2SC2CCCC2)cc1 1875253694 LVGOCKPROJVEPC-OAHLLOKOSA-N 340.492 4.916 0 50 EJAA Cc1ccc(CNc2ccc(-c3cn4cccc(C)c4n3)cc2)c(C)n1 1875328672 GIEJCILTIXBNLG-UHFFFAOYSA-N 342.446 4.934 0 50 EJAA COCc1cccc(CN2CCCCC[C@@H]2c2ccc(OC)cc2)c1 2332239387 OTYJXLPYNZAQPF-JOCHJYFZSA-N 339.479 4.959 0 50 EJAA COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1cccs1)N2 35080 RXFUIFJLKCASDT-SJORKVTESA-N 331.437 4.554 0 50 EJAA Cc1cc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 318734 XANGYKWDAZIBGN-UHFFFAOYSA-N 325.433 4.566 0 50 EJAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccccc2F)c1 388960 SAONBNMMRFLQDG-UHFFFAOYSA-N 333.362 4.617 0 50 EJAA COc1cccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1 2526029 XIWQXISCPBZRCZ-UHFFFAOYSA-N 327.767 4.570 0 50 EJAA O=Cc1cn(CCCCn2cc(C=O)c3ccccc32)c2ccccc12 2838212 XFEHFUQYNZVPII-UHFFFAOYSA-N 344.414 4.701 0 50 EJAA CCOC(Cn1c(/C=C/c2ccccc2)nc2ccccc21)OCC 4115921 GUVSUSHWJSWITJ-CCEZHUSRSA-N 336.435 4.606 0 50 EJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1 35511338 LOKFDLKNRADKOV-MRXNPFEDSA-N 333.819 4.650 0 50 EJAA Cc1cc([C@@H]2CCCCN2C(=O)CC23CC4CC(CC(C4)C2)C3)no1 91830734 DGVLQQKWSMDMMH-ILCGBQQYSA-N 342.483 4.643 0 50 EJAA CCN(Cc1csc(-c2ccoc2)n1)[C@@H](C)c1cccc(O)c1 178377659 UYDXOHFYRHRCPL-ZDUSSCGKSA-N 328.437 4.692 0 50 EJAA Cc1cccc(CN(C(=O)c2ccn(C(C)C)n2)C2CCCCC2)c1 215910456 RNHYLOVQHGOEJM-UHFFFAOYSA-N 339.483 4.748 0 50 EJAA Fc1ccc2c(C3CCN([C@@H]4CCc5ccccc54)CC3)noc2c1 685591192 ACBRVAOCJUFVGE-LJQANCHMSA-N 336.410 4.834 0 50 EJAA Oc1nc([C@H]2CCCCO2)nc2scc(-c3ccccc3Cl)c12 1775985070 RFQIFUFNVMNYKF-CYBMUJFWSA-N 346.839 4.959 0 50 EJAA COc1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)cc1OC 2356164816 HYZWRMLMRKSRGH-UHFFFAOYSA-N 342.345 4.788 0 50 EJAA CCCC(CCC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 313121 QFRBRGWYFCPTME-UHFFFAOYSA-N 345.468 4.550 0 50 EJAA Cc1cc(C)cc(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 608489 VUQRANZXCJNBAT-UHFFFAOYSA-N 328.795 4.951 0 50 EJAA Cc1ccc(OCCOc2c(Cl)cc(C=O)cc2Cl)cc1 2873706 FWJUVRWSYRYBTR-UHFFFAOYSA-N 325.191 4.572 0 50 EJAA Oc1ccccc1-c1nc(/C=C/c2cccs2)nn1-c1ccccc1 5014282 GLGYKOVJGQBRTC-OUKQBFOZSA-N 345.427 4.872 0 50 EJAA C[C@@H](NCCC(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1 6267428 BKUWJLSGSGRXBD-DVECYGJZSA-N 345.486 4.920 0 50 EJAA CCc1ccccc1NC(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12206335 YJDUUISPHQVRJO-SFHVURJKSA-N 343.515 4.558 0 50 EJAA Cc1cccc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3nccnc3c2)n1 13980772 DKPQHFZUICCZHF-UHFFFAOYSA-N 343.434 4.688 0 50 EJAA in-vivo Cn1cc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2ccccc21 77452279 WHUIVAOLGBGKEO-LJQANCHMSA-N 336.410 4.685 0 50 EJAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C2 100399981 NGJIKNUKAYRYJI-IXBGWNDUSA-N 326.267 4.938 0 50 EJAA Cc1nc2ccccc2cc1C(=O)Nc1cccc(N(C)C(C)C)c1 170623458 UXNZZHTWWBGXAQ-UHFFFAOYSA-N 333.435 4.640 0 50 EJAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 242473232 FDCINQSOYQUNKB-JUPNMBMKSA-N 332.484 4.530 0 50 EJAA Clc1cc(C2CC2)ccc1Oc1nnc(-c2ccccn2)s1 432179687 RLJMDAKFUOASOH-UHFFFAOYSA-N 329.812 4.923 0 50 EJAA Cc1noc(C)c1C=C(CC(=O)O)c1nc2cc(Cl)ccc2s1 1857529977 SDBZJJPZUNDSFD-UHFFFAOYSA-N 348.811 4.570 0 50 EJAA O=C(CC1CCC(F)(F)CC1)Nc1cc2c(cc1Cl)CCC2 1875362563 KALLNXBNQWXGQT-UHFFFAOYSA-N 327.802 4.983 0 50 EJAA Cn1c(-c2ccc(OCc3cccnc3)cc2)nc2cc(Cl)ccc21 2325703003 ZXDMFBAPPMNOCV-UHFFFAOYSA-N 349.821 4.868 0 50 EJAA CCCc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 84230 MMIHTEOPCGVWEZ-UHFFFAOYSA-N 330.840 4.715 0 50 EJAA COc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC 615166 YXLSOKKMOMGXRV-UHFFFAOYSA-N 340.206 4.571 0 50 EJAA Cc1ccc([C@]2(CCNCc3ccco3)CCO[C@H](C(C)C)C2)cc1 1867331 LWJUFUPLTBOXHQ-FCHUYYIVSA-N 341.495 4.841 0 50 EJAA biogenic Cc1nc2c3cc(Cl)ccc3n(CCN3CCCCC3)c2s1 2365755 HRLXLJKVPAVREE-UHFFFAOYSA-N 333.888 4.699 0 50 EJAA CSc1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1 2764227 SUTLBTBKNCMCMS-UHFFFAOYSA-N 338.885 4.650 0 50 EJAA Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 6831530 DEGVXZZBCFHOPP-UHFFFAOYSA-N 339.398 4.858 0 50 EJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)C(C)(C)C 13744463 PJYOCGUCXDNKFO-JTQLQIEISA-N 338.810 4.607 0 50 EJAA O=C(NCCc1ccccc1)N1CCCCC[C@H]1c1cccs1 15867126 DLRKUUDNJOSLCQ-KRWDZBQOSA-N 328.481 4.618 0 50 EJAA C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(C(C)(C)C)cc1 17067192 OPRZMNMSKRRJBT-ZBEGNZNMSA-N 328.283 4.745 0 50 EJAA CC(C)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n1 72150645 NFXIXRIOIGRQKX-UHFFFAOYSA-N 343.434 4.755 0 50 EJAA Cc1cc(N2CC(c3ccccn3)C2)c2cc(C(F)(F)F)ccc2n1 72162461 HRZFQIXHPJMJGJ-UHFFFAOYSA-N 343.352 4.561 0 50 EJAA C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244817045 STMYRUWDJOTNRT-QWMFNBJCSA-N 347.930 4.580 0 50 EJAA CC1(c2cccc(Cl)c2)CCN(Cc2cccc(C(=O)O)c2)CC1 263378177 BBBVAOZVONQBQC-UHFFFAOYSA-N 343.854 4.592 0 50 EJAA Cc1ccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)(C)C)cc1 334161703 DOEIMCONNOCPEV-QGZVFWFLSA-N 349.434 4.562 0 50 EJAA CC(C)Cn1ccc2c(C(=O)N[C@@]3(C)CCC(C)(C)C3)cccc21 1875357412 FWTGADYQXDBBHL-NRFANRHFSA-N 326.484 4.996 0 50 EJAA O=C(CSc1ccncc1Cl)[C@H]1CC[C@@H](C(F)(F)F)CC1 2325772636 IPHAJKDCYAORGJ-AOOOYVTPSA-N 337.794 4.765 0 50 EJAA CSc1cccc2c1CN(C(=O)c1c(C)csc1Cl)CC2 2325823213 KDPDJRPQXBBEJU-UHFFFAOYSA-N 337.897 4.630 0 50 EJAA O=C(Nc1cccc2c1CCCC2)c1cccc(Br)c1 299845 IBURMKSZYDIVEV-UHFFFAOYSA-N 330.225 4.580 0 50 EJAA CC[C@@H](C(=O)Nc1ccc(Br)cc1C)c1ccccc1 455905 GPCGTSSPNKQHIV-OAHLLOKOSA-N 332.241 4.890 0 50 EJAA Cc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 1021561 YQHBLUYUWUWAQR-UHFFFAOYSA-N 329.443 4.947 0 50 EJAA Cc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1C 1064083 QPRORAHXDBTKOZ-UHFFFAOYSA-N 329.197 4.783 0 50 EJAA Cc1cccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 4005929 BEGXTYVGZUMBTC-NRFANRHFSA-N 327.427 4.940 0 50 EJAA COc1ccc(C(c2ccc(OC)cc2)c2ccccc2C(=O)O)cc1 5699204 HOTOZRAJHUEOJK-UHFFFAOYSA-N 348.398 4.582 0 50 EJAA Cc1cccnc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320503 VRVZKSIFZKAULM-UHFFFAOYSA-N 329.709 4.706 0 50 EJAA COc1ccc(OC)c2c(C)cc(N[C@@H]3CCC[C@H](C)[C@@H]3C)nc12 23634348 YFSFCGCONKORMP-AEGPPILISA-N 328.456 4.797 0 50 EJAA CC(=O)c1sccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72169496 XATJFDAOMJOSAR-UHFFFAOYSA-N 348.431 4.501 0 50 EJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1oc2c(C)c(C)ccc2c1C 77287929 YMQJAVMVGKZPHS-SFHVURJKSA-N 336.435 4.976 0 50 EJAA CC1(C)C[C@H]2C[C@@](C)(CN2C2CCN(CCc3ccccc3)CC2)C1 100421111 DKRIWTOXDBDWBD-JTHBVZDNSA-N 340.555 4.594 0 50 EJAA C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 239275172 BGOONDJWFCOMKF-WFASDCNBSA-N 334.872 4.566 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257359012 XXSFRYVGIQYVIQ-KLAVMKGYSA-N 330.512 4.761 0 50 EJAA CC1(c2ccccc2NC(=O)c2ccccc2Br)CC1 285692 XBNPFXXZZNAWES-UHFFFAOYSA-N 330.225 4.753 0 50 EJAA CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2s1 303017 PULVXWNSYLXSBF-UHFFFAOYSA-N 342.489 4.898 0 50 EJAA Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 558414 BEJDHOZVELQNRC-UHFFFAOYSA-N 328.843 4.809 0 50 EJAA CC(=O)Nc1cccc(NC(=S)Nc2cccc3ccccc23)c1 610849 RSLCHHVYDPFRJP-UHFFFAOYSA-N 335.432 4.607 0 50 EJAA CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC 615164 DYYHCBVHMWXQDU-UHFFFAOYSA-N 333.815 4.698 0 50 EJAA Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2Cl)s1 618099 XJLNLHBPADAPKQ-UHFFFAOYSA-N 347.802 4.558 0 50 EJAA COc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 2414552 QFSYWFLKAGTKFJ-FQEVSTJZSA-N 339.410 4.739 0 50 EJAA O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccccc1Cl 13325204 UCKJBNZIKOQVHA-UHFFFAOYSA-N 329.831 4.580 0 50 EJAA C[C@H]1CN(CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 20168419 KJVYOTNIJSFCAY-OALUTQOASA-N 339.479 4.622 0 50 EJAA C[C@@H](c1ccncn1)N(C)Cc1ccc(-c2ccc(Cl)cc2F)o1 55284547 YMWVZEJSFVKDRI-LBPRGKRZSA-N 345.805 4.722 0 50 EJAA O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@]2(CC=CCC2)C1 170626912 AJINTEZIGPGTJZ-INMHGKMJSA-N 344.421 4.639 0 50 EJAA CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1(C)C 170627099 SIWHGUZOEXLWNQ-MSOLQXFVSA-N 335.451 4.629 0 50 EJAA CC[C@H](C)n1ncc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1C 331526695 GRNFKSYLOVJRNU-BLLLJJGKSA-N 332.473 4.593 0 50 EJAA C[C@H](CC(c1ccccc1)c1ccccc1)NCc1cccc(CO)c1 828827559 BPLPEXBQHSMMIH-LJQANCHMSA-N 345.486 4.879 0 50 EJAA CC(C)c1nsc(CN2CCCC[C@H]2c2nc3ccccc3o2)n1 930039547 WTSCSVCDVRBAIK-AWEZNQCLSA-N 342.468 4.530 0 50 EJAA Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 364208 MRSYXSPFHZHEHF-UHFFFAOYSA-N 337.872 4.747 0 50 EJAA Cc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 375234 HAGRJEOUIUDYMV-UHFFFAOYSA-N 342.851 4.953 0 50 EJAA O=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 463729 SRVIQYAARRITDK-SDNWHVSQSA-N 348.833 4.982 0 50 EJAA CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 571710 NNBSSRFUGZFXEB-UHFFFAOYSA-N 348.276 4.516 0 50 EJAA CCOc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 1431560 RFWAHRNCGBZFGI-UHFFFAOYSA-N 339.222 4.714 0 50 EJAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 2978389 IMADFIRHOKFPQL-UHFFFAOYSA-N 346.883 4.809 0 50 EJAA Cc1cc(Cl)ccc1NC(=S)NCCc1ccc(Cl)cc1 4682532 CZTLMENWYKDRIV-UHFFFAOYSA-N 339.291 4.831 0 50 EJAA CCc1cc(-c2n[nH]c(C)c2Oc2ccccc2F)c(O)cc1OC 4864524 QWIKCEQXLVWSBD-UHFFFAOYSA-N 342.370 4.593 0 50 EJAA O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@@H]1c1cccs1 15867137 ALVKTGUPMWFKNT-CQSZACIVSA-N 344.436 4.626 0 50 EJAA CC(=O)N[C@H]1C[C@@H](c2[nH]c3ccc(Cl)cc3c2C)O[C@@H](C(C)C)C1 67804262 PYWMEOGSAOVNAV-OLMNPRSZSA-N 348.874 4.511 0 50 EJAA C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cn1 170605960 DJDXUMLLYGNZAR-NSHDSACASA-N 344.773 4.625 0 50 EJAA Cc1nn(C(C)C)c(C)c1NC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C 170630096 WTUOMKNZIGCFKE-YOEHRIQHSA-N 334.508 4.759 0 50 EJAA CCCCC[C@@H]1CC[C@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C 239231171 VBMOEUZKBIQGME-ZYKOEDHHSA-N 349.562 7.411 0 50 EJAA Cc1ccc(CNC(=O)NC2CCC(c3ccccc3)CC2)cc1F 1210929121 FNWKEMAJMKIOLV-UHFFFAOYSA-N 340.442 4.660 0 50 EJAA CC(C)c1cnc(NC(=O)c2cccn2Cc2ccccc2F)s1 2325871730 WSEBZXYOOPHDOI-UHFFFAOYSA-N 343.427 4.508 0 50 EJAA CC(C)CN(CC(C)C)C(=O)Nc1ccc(Br)cc1 397260 IIYBVRWCSMNMNM-UHFFFAOYSA-N 327.266 4.595 0 50 EJAA C[C@H](CCc1ccccc1)NC(=O)/C=C/c1c(F)cccc1Cl 476491 GMWHDGRCVUGDSJ-XTZCOPOCSA-N 331.818 4.630 0 50 EJAA O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(F)(F)F 1049050 VBRKIPZJBOEQRW-UHFFFAOYSA-N 331.696 4.679 0 50 EJAA CCOc1ccc(NC(=O)Nc2nnc(C3CCCCC3)s2)cc1 1300663 NOWNOZZSLYAFFI-UHFFFAOYSA-N 346.456 4.629 0 50 EJAA CCc1ccccc1-n1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S 5041300 CDHWSZFHYGQPBN-UHFFFAOYSA-N 339.508 4.960 0 50 EJAA COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1Cl 5065168 RCKJQLAJEJSTBV-UHFFFAOYSA-N 333.859 4.894 0 50 EJAA Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1 19537580 KQKPKQXJNNFTSB-UHFFFAOYSA-N 336.866 4.815 0 50 EJAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccnc3ccccc23)C1 77379868 DXIPFPJZBDLJLI-QGZVFWFLSA-N 330.431 4.563 0 50 EJAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3coc4ccccc34)[nH]c2c1 77564235 KTZZBRNMQKQKRA-GOSISDBHSA-N 345.402 4.595 0 50 EJAA O=C(Nc1ccc2sncc2c1)N1CCC(c2ccsc2)CC1 194247863 FJPGNFCTXUFDLF-UHFFFAOYSA-N 343.477 4.769 0 50 EJAA Fc1ccc2nc(CN3CCCC[C@@H]3c3nccs3)ccc2c1 216408395 QIVSOQZOPGKALX-QGZVFWFLSA-N 327.428 4.558 0 50 EJAA C/C=C/[C@@H]1OC[C@@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@H]1[C@H]2C 252693351 CSSJDGXKUUQMTC-SDSLTKSSSA-N 349.515 4.712 0 50 EJAA biogenic O=C(O)C1CCC(N[C@H](CC2CCCCC2)c2ccccc2)CC1 263450909 ZNLWXAOFGMBWQC-SOAGJPPSSA-N 329.484 4.931 0 50 EJAA Cc1onc(-c2cccc(F)c2)c1C(=O)NC1CCCCCCC1 1350666734 MUUXGTDODFGQGJ-UHFFFAOYSA-N 330.403 4.632 0 50 EJAA Cc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)c(C)c1 1776003119 VXMAYFYWNHQMEU-UHFFFAOYSA-N 345.247 4.686 0 50 EJAA CC1(c2nc(-c3cnc4sccc4c3)no2)CCC(F)(F)CC1 1875268493 XXQIFOLJJDAUFP-UHFFFAOYSA-N 335.379 4.813 0 50 EJAA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 72573 MTPOAIVWQFEYCP-UHFFFAOYSA-N 332.334 4.886 0 50 EJAA CN1CCC(N(C)Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 241864 OCDFCVHQVNEMMP-UHFFFAOYSA-N 344.886 4.658 0 50 EJAA C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1 301582 VNQBCWPHGDHBBP-HNNXBMFYSA-N 326.403 4.865 0 50 EJAA Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1Cl 341751 KQLIFSJMVVFUHJ-UHFFFAOYSA-N 325.795 4.819 0 50 EJAA Cc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)O)c2c1 373466 PLWOSTOUNYUDHX-UHFFFAOYSA-N 348.221 4.732 0 50 EJAA COc1cccc(OC)c1OC(=O)Nc1cccc(Cl)c1Cl 401882 XWIFNEYEXSVEMJ-UHFFFAOYSA-N 342.178 4.622 0 50 EJAA COc1ccc(C(=O)CCSc2ccc(Cl)cc2)cc1OC 2531708 NPRBLIFVYDAPJP-UHFFFAOYSA-N 336.840 4.722 0 50 EJAA Clc1ccccc1COc1cccc(CNCc2ccco2)c1 4842994 WIRASXJIUCCKIN-UHFFFAOYSA-N 327.811 4.802 0 50 EJAA C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1Br 13746055 RRKHOTHOPJEHFK-ZDUSSCGKSA-N 347.256 4.592 0 50 EJAA Clc1ccc([C@@H]2CN(c3nccc4occc34)CCO2)cc1Cl 71747008 JGRQRGTZWDHPBF-INIZCTEOSA-N 349.217 4.713 0 50 EJAA COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)O[C@H]1CCCC[C@@H]21 169678484 YCLLGORVUPSCES-UQASEVPWSA-N 342.410 4.989 0 50 EJAA Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)s1 170615594 ICMQTCZPENQRRN-AWEZNQCLSA-N 328.481 4.683 0 50 EJAA Cc1ccc(-c2noc([C@@H]3C[C@@H](C)CCO3)n2)c(OC2CCCC2)c1 952845635 JLDNATVHXXOXTI-KSSFIOAISA-N 342.439 4.854 0 50 EJAA C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1cccc(O)c1F 1875334208 DONMYDCUXJNCEM-LBPRGKRZSA-N 341.348 4.613 0 50 EJAA CCCc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 82714 LWZOPDOYKBLSFW-UHFFFAOYSA-N 328.795 4.978 0 50 EJAA CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3)ccc21 2051804 LTLRIQMYTJJFLH-UHFFFAOYSA-N 344.414 4.832 0 50 EJAA aggregator Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)c1 3906525 MYRYGQYFYQIWAD-UHFFFAOYSA-N 341.414 4.870 0 50 EJAA CC(CCCCCCCCCCCCCCCO)(C(=O)O)C(=O)O 4023232 RCYAPYHSCPWJQF-UHFFFAOYSA-N 344.492 4.616 0 50 EJAA biogenic COc1ccc(-n2c([C@@H]3C[C@@H]3c3ccc(C)cc3)n[nH]c2=S)cc1 6533849 SQYRRWLGSBFELZ-IAGOWNOFSA-N 337.448 4.518 0 50 EJAA O=C(Nc1ccc(N2CCCCC2)c(F)c1)OCc1ccccc1 140371781 SLNALVLQGYOZRD-UHFFFAOYSA-N 328.387 4.565 0 50 EJAA CC[C@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1cccs1 190381712 VVRUGYJCYGCLIG-GXTWGEPZSA-N 335.498 4.511 0 50 EJAA O=C(Nc1cccnc1)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 469050775 QLUSHJNBFRQICE-INIZCTEOSA-N 349.356 4.860 0 50 EJAA CC(C)(C)n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 549356 SFUOVOSLKWNKNU-UHFFFAOYSA-N 327.815 4.697 0 50 EJAA CCCN(CCC)CCCOC(=O)c1ccc(Cl)cc1Cl 3002770 OJIYCKBQGMYSRY-UHFFFAOYSA-N 332.271 4.662 0 50 EJAA CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3 39959796 JFIBVDBTCDTBRH-REZTVBANSA-N 330.560 4.683 0 50 EJAA investigational C[C@H](Cc1ccc(Cl)cc1)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244817044 STMYRUWDJOTNRT-KIROCZQCSA-N 347.930 4.580 0 50 EJAA Cc1cc(-c2nn(-c3ccccc3)cc2CN)ccc1OCCC(C)C 1857796733 CTRXTNWBAFCUMU-UHFFFAOYSA-N 349.478 4.731 0 50 EJAA Cc1cc(NC(=O)[C@@]23CCCC[C@H]2CC(F)(F)C3)cnc1C(F)F 1875328873 PNRCVOUKUSHHTH-MEDUHNTESA-N 344.352 4.872 0 50 EJAA Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(F)cc1 452888 PTPUNMXWCYKHAZ-RUDMXATFSA-N 334.188 4.549 0 50 EJAA CC(C)CN(CC(C)C)C(=O)COc1ccc(Cl)cc1Cl 473317 HFVOHWUBUXMXFW-UHFFFAOYSA-N 332.271 4.513 0 50 EJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1066937 NJEYMNJTVIJLJZ-INIZCTEOSA-N 333.387 4.885 0 50 EJAA Cc1ccc2c(c1C)NC(=O)C[C@H]2c1cc(Br)ccc1F 1067781 DYAYLAGCBWCTDX-CYBMUJFWSA-N 348.215 4.679 0 50 EJAA Cc1c(C(=O)Oc2ccccc2Br)oc2ccc(F)cc12 2883322 KTJUTTXJSXTYQG-UHFFFAOYSA-N 349.155 4.862 0 50 EJAA Cc1sc2[nH]c(=S)n([C@@H]3C[C@H]3Cc3ccccc3)c(=O)c2c1C 17071599 NSQDUKTXVNCURY-ZIAGYGMSSA-N 342.489 4.541 0 50 EJAA Cc1cccc(N2CCC(NCC[C@@H](C)CCCC(C)(C)O)CC2)c1 32587358 PPNRPQLOIYFVGZ-SFHVURJKSA-N 346.559 4.521 0 50 EJAA Fc1ccc([C@H]2CCCCN2Cc2cc(-c3ccccn3)no2)cc1 72163933 NGOYLEMZDXFGAT-HXUWFJFHSA-N 337.398 4.603 0 50 EJAA CN(C)N1C[C@@](Cc2ccccc2)(c2ccccc2)c2ccccc21 96027317 QDWTUUZBMWKFAT-QHCPKHFHSA-N 328.459 4.512 0 50 EJAA CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)/C=C(/C)O)cc1 102278119 WOMYTDHDLVSICM-AXUHNPFUSA-N 348.446 4.971 0 50 EJAA COc1ccccc1-c1ccc(-c2ccc(F)c3cccnc23)nn1 215422819 CBGLWUHATTZUOF-UHFFFAOYSA-N 331.350 4.507 0 50 EJAA CCc1ccc2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 298346 FRBVVQZGODWMBA-UHFFFAOYSA-N 332.359 4.903 0 50 EJAA COc1ccc(-c2cc(=O)oc3cc(OCC=C(C)C)ccc23)cc1 305551 MKTCJIPAQIDHGR-UHFFFAOYSA-N 336.387 4.814 0 50 EJAA biogenic CC(C)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 453372 FFOQCKGOBWWEEA-UHFFFAOYSA-N 329.252 4.635 0 50 EJAA O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(F)c1 483556 UOBRSRXZUBUNFA-UHFFFAOYSA-N 333.406 4.778 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(C)cccc2s1 1055012 OLXCORXPRGDJNF-UHFFFAOYSA-N 349.415 4.820 0 50 EJAA COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1Cl 2927776 QHFRBNQDGMCHQY-UHFFFAOYSA-N 330.598 4.908 0 50 EJAA Brc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1 4850606 CVFAOTCLEJHQQE-IZZDOVSWSA-N 327.181 4.670 0 50 EJAA CC[C@H](NC(=O)Nc1ccc(OC)cc1OC)c1ccc(Cl)cc1 13329045 MKGJYHWCAWRTRV-HNNXBMFYSA-N 348.830 4.630 0 50 EJAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 36621139 FJPRJFAUMBJLKW-SFHVURJKSA-N 328.387 4.593 0 50 EJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)no1 64984631 MMBMBLHNCJCCGK-SFHVURJKSA-N 327.428 4.613 0 50 EJAA Cc1cc(CN2CCCC2)cc(Oc2ccc(C(F)(F)F)cn2)c1 67769812 VVEYFIBRUILLKN-UHFFFAOYSA-N 336.357 4.797 0 50 EJAA Cc1nc2ccccc2c(NC(=O)CCC2CCOCC2)c1C(C)C 191955671 WQWDRNYGLYESFR-UHFFFAOYSA-N 340.467 4.812 0 50 EJAA C[C@H](Nc1cccc(OCc2cscn2)c1)c1cccc(O)c1 194953369 AXPLTDCYGHQAEL-ZDUSSCGKSA-N 326.421 4.601 0 50 EJAA O=C(O)c1c(O)cccc1/C=C/c1ccc(OCc2ccccc2)cc1 216296400 VWZWUULAXUNKKP-FMIVXFBMSA-N 346.382 4.840 0 50 EJAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257345969 NTPXXNCDCQTPIF-XEZPHNPWSA-N 332.484 4.530 0 50 EJAA CCc1ccccc1-c1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1 426712208 SXBTUMQMXHCEAD-UHFFFAOYSA-N 348.446 4.793 0 50 EJAA C/C(=C\CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1248484725 IWNPVBBKCLEUDB-VRJLOKJGSA-N 344.539 4.865 0 50 EJAA Cc1cc(C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 302222 LCOQUFNQUFGFHT-UHFFFAOYSA-N 337.341 4.648 0 50 EJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccco2)cc1 335360 VVXKOPDSSHSZJY-OAQYLSRUSA-N 345.442 4.519 0 50 EJAA C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 443766 WOLGSTSAZBJSIZ-NSHDSACASA-N 325.355 4.825 0 50 EJAA CCOc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 2881855 PKLJEOQSSSVFFF-QGZVFWFLSA-N 347.414 4.721 0 50 EJAA CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 12381472 BFAIRRDFLNUVKU-UHFFFAOYSA-N 345.830 4.512 0 50 EJAA Cc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)cc1 15070302 DZWWIQPQFQEWFE-IBGZPJMESA-N 349.453 4.904 0 50 EJAA COc1c(C(C)C)cc2c(c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 35455412 QQNSARJGBPMQDI-YCRPNKLZSA-N 346.467 4.619 0 50 EJAA biogenic,in-vitro C[C@@H](c1ccco1)N(C)C(=O)c1ccccc1NCc1cccs1 55226000 XWVPSTGWJRMJIO-AWEZNQCLSA-N 340.448 4.786 0 50 EJAA C[C@@H](c1ccccn1)N(C)Cc1c(-c2ccccc2)nc2ccccn12 67946915 HUNZIKNYEFDPFT-KRWDZBQOSA-N 342.446 4.589 0 50 EJAA FC(F)(F)c1cnc(-c2csc(-c3ccccn3)n2)c(Cl)c1 263639651 CBOODZLZYUZNDQ-UHFFFAOYSA-N 341.745 4.939 0 50 EJAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccsc1 669864732 DBJOXGFXNYVCNI-GHMZBOCLSA-N 325.886 4.760 0 50 EJAA Cc1ccc(Sc2ccnc(N[C@H]3CC[C@@]4(C3)CC4(F)F)n2)cc1 1875408551 YVUYZCSYXKOVCE-SUMWQHHRSA-N 347.434 4.926 0 50 EJAA COc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 202654 VEHYORIYWVIAQA-UHFFFAOYSA-N 344.414 4.672 0 50 EJAA CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccco1 460165 GGOKQDCYXSYLEP-FQEVSTJZSA-N 337.419 4.752 0 50 EJAA biogenic CC(C)n1c(C(O)(c2ccccc2)c2ccccc2)nc2ccccc21 3876387 OQTPVZRVAHFGLH-UHFFFAOYSA-N 342.442 4.901 0 50 EJAA COc1ccc(CC[C@@H](C)NCc2ccccc2Br)cc1 23280221 HORALTXJBPFJMB-CQSZACIVSA-N 348.284 4.569 0 50 EJAA Cc1ccccc1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 55543557 AUYJCFQITYROAL-UHFFFAOYSA-N 335.278 4.624 0 50 EJAA Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2cc(C)c(C)o2)cn1 65404567 RSDLKKKPYJEMSS-UHFFFAOYSA-N 344.418 4.574 0 50 EJAA c1ccc(CN2CC[C@H]([C@@H](c3ccccc3)c3ccccn3)C2)cc1 71769335 BLHARDLNGUCJNB-JTHBVZDNSA-N 328.459 4.736 0 50 EJAA COC(=O)Cc1cccc(-c2cccc(OCc3ccccc3)c2)c1 97757012 LOKQELQEYPUBKD-UHFFFAOYSA-N 332.399 4.648 0 50 EJAA S=C1O[C@]2(C[C@@H]3CC[C@@H]4CC[C@H]2[C@@H]34)[C@@]2(C[C@@H]3CC[C@@H]4CC[C@@H]2[C@H]34)O1 257357063 LVXICQLAEIUOJT-BLNMDXJNSA-N 344.520 4.708 0 50 EJAA CCn1c(SCCOc2cc(C)ccc2C)nc2ccccc21 334161010 QWHXEVAEVIUEBU-UHFFFAOYSA-N 326.465 4.844 0 50 EJAA CC(C)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(OC(C)(C)C)n1 1875357774 WIEJEJLODHAILK-JKSUJKDBSA-N 332.488 4.594 0 50 EJAA C[C@H]1CN(C(=O)c2cnc(-c3cccs3)s2)c2ccccc21 1875390374 ZOCVJXNSUCPMJD-NSHDSACASA-N 326.446 4.636 0 50 EJAA Cc1ccc2nc3c(c(Nc4ccc5c(c4)OCCO5)c2c1)CCC3 37995 DVAUHDRQKGXLCV-UHFFFAOYSA-N 332.403 4.547 0 50 EJAA CCOC(=O)c1ccc(NC(=O)Oc2cc(C(C)C)ccc2C)cc1 399637 NVVIXOMZNUBHGS-UHFFFAOYSA-N 341.407 4.906 0 50 EJAA CCOc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1 615980 KIQACXKXJFARJU-UHFFFAOYSA-N 338.451 4.574 0 50 EJAA CCCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 1793627 AGWZOSMWPINHBK-UHFFFAOYSA-N 331.799 4.549 0 50 EJAA O=C(CCCOc1ccc(Cl)cc1Cl)n1cnc2ccccc21 2779467 GZWZSZSNIQSADQ-UHFFFAOYSA-N 349.217 4.843 0 50 EJAA CCCCc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 2849229 BIHRITVOZKJSEZ-UHFFFAOYSA-N 338.451 4.876 0 50 EJAA O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)ccc1O 4820597 XEJBYGALVLMDIJ-UHFFFAOYSA-N 343.835 4.930 0 50 EJAA O=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1 4853263 HEUVVUFXJGEDOZ-QGOAFFKASA-N 345.427 4.553 0 50 EJAA CCOc1ccc(NC(=O)Nc2ccc(-c3ccccn3)cc2)cc1 71766967 QSFWPUGWFDHSBL-UHFFFAOYSA-N 333.391 4.791 0 50 EJAA Fc1cccc([C@H]2CCCCN2Cc2cnc(N3CCCC3)s2)c1 72422239 XBMLQRAVSLPABT-GOSISDBHSA-N 345.487 4.610 0 50 EJAA O=C(O)C1CCC(N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 263495359 SPULCHXTAAISJI-IAYYMHMVSA-N 349.430 4.755 0 50 EJAA Cc1ccccc1C[C@H](CO)CN[C@H](CC(C)C)c1ccccc1 2325841567 AANRYMNKLDOUFZ-SIKLNZKXSA-N 325.496 4.523 0 50 EJAA O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 235807 CZJKUGMLMVFKEP-UHFFFAOYSA-N 343.835 4.808 0 50 EJAA Cc1ccc(C(O)(COc2ccc(F)cc2)c2ccc(C)cc2)cc1 290277 VINVLOVDFSCJHC-UHFFFAOYSA-N 336.406 4.757 0 50 EJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(C(C)C)cc2)c(C)c1 572025 UQVDMBWZNDYBTP-UHFFFAOYSA-N 326.465 4.554 0 50 EJAA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N2CCCCC2)c1 1191986 FVKBUYQQOHDPOX-OAQYLSRUSA-N 333.475 4.622 0 50 EJAA CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1 11903325 ZCSRGZQPZJXHHY-SFHVURJKSA-N 349.459 4.653 0 50 EJAA O=C(c1csc(-c2ccncc2)n1)N(CC1CCC1)c1ccccc1 151171531 DUPDGXHUKMWYSA-UHFFFAOYSA-N 349.459 4.652 0 50 EJAA CCCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169813968 DAPWIOIEVUBIGW-UHFFFAOYSA-N 344.574 4.737 0 50 EJAA O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(C3CC3)cc2)CC1 678559096 IJPRRSMSTNVFND-UHFFFAOYSA-N 348.446 4.691 0 50 EJAA Cc1nc([C@H](C)N(C)C(=O)c2csc3c2CCCC3)c(C)s1 1506414297 OAPGTFDODXPYGH-JTQLQIEISA-N 334.510 4.533 0 50 EJAA Clc1ccccc1CN(Cc1ccc(-n2ccnc2)cc1)C1CC1 2325701130 GCFYYIQJCMUBAX-UHFFFAOYSA-N 337.854 4.690 0 50 EJAA Clc1ccc(-c2csc3ncnc(NC[C@H]4CCCO4)c23)cc1 145091 CUEDGOGQJKBMNF-CYBMUJFWSA-N 345.855 4.603 0 50 EJAA CCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 616070 IIEFZSZAPIFFRO-UHFFFAOYSA-N 335.407 4.778 0 50 EJAA Cc1cccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12 2765160 AXOVQGHAUJNNRK-UHFFFAOYSA-N 342.192 4.671 0 50 EJAA in-vitro Cc1ccc(C)c(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 2906941 FIEOVIRMGLLWCZ-HOTGVXAUSA-N 334.246 4.829 0 50 EJAA COC(=O)C1CCC(CCCCC2CCC(C(=O)OC)CC2)CC1 4795412 SHBRPCUBKPJRKK-UHFFFAOYSA-N 338.488 4.506 0 50 EJAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 12297577 ADDVETJGYBBFNG-INIZCTEOSA-N 342.405 4.555 0 50 EJAA C[C@H](c1ccon1)N(C)C(=O)Nc1ccc(C2CCCCC2)cc1 96166971 BOCJEOOVZPTOGM-CQSZACIVSA-N 327.428 4.947 0 50 EJAA COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)O[C@H]1CCCC[C@@H]21 169678576 XEZFXTLWFUBFTN-UQASEVPWSA-N 342.410 4.989 0 50 EJAA COC(C)(C)CCC[C@@H](C)CCN1CCC(c2ccnc(O)c2)CC1 1775979183 YIEHUYGKZWMNDN-QGZVFWFLSA-N 348.531 4.588 0 50 EJAA C[C@H](NCc1cccc(C(C)(C)O)c1)c1cccc(-c2ccncc2)c1 1875284748 KJGQUCJIYFLILF-KRWDZBQOSA-N 346.474 4.827 0 50 EJAA C[C@H]1C[C@@H]1c1ccc(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)o1 1875305246 NQBVAOFPTQVYFJ-LAQRGFTBSA-N 339.435 4.523 0 50 EJAA NC(=O)N[C@@H](CC(c1ccccc1)c1ccccc1)c1ccccc1 758890 DIWQJEIQQVUVFH-NRFANRHFSA-N 330.431 4.618 0 50 EJAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cccc(C)c1 2763603 GNSOZUMJUCDFDU-UHFFFAOYSA-N 331.437 4.609 0 50 EJAA Cc1cccc([C@@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)c1 35561809 VYQDYMRMJHJZII-FQEVSTJZSA-N 340.442 4.961 0 50 EJAA COc1ccc(/C=C\c2ccnc3c(-c4ccccc4)c(C)nn23)cc1 67630557 GVLXRPLZHNRBLN-FLIBITNWSA-N 341.414 4.884 0 50 EJAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1c1ccccc1Cl 154684686 LSOIAJVYMRDMTJ-PXAZEXFGSA-N 345.874 4.537 0 50 EJAA CCC(CC)C(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 299771589 RFGWNFDCXUOGLY-UHFFFAOYSA-N 329.484 4.793 0 50 EJAA Clc1ccccc1Cc1noc(-c2ccc(Br)cc2)n1 443005 YVNYTPXVTBNNEX-UHFFFAOYSA-N 349.615 4.743 0 50 EJAA CC[C@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 457048 BNKGUOJOEHZNSN-HNNXBMFYSA-N 332.241 4.890 0 50 EJAA CCC1(CC)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21 1179615 MVQUVISFHVBFTO-UHFFFAOYSA-N 331.415 4.983 0 50 EJAA aggregator O=C(CCNc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 2522044 KOGYDZOKSCKNCX-UHFFFAOYSA-N 345.398 4.767 0 50 EJAA CCCOc1ccc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc1OC 2727183 DNUDNJGSZBXILE-MRXNPFEDSA-N 339.435 4.575 0 50 EJAA Fc1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc1 8829722 SLFQSHPJROKIJW-UHFFFAOYSA-N 329.227 4.619 0 50 EJAA c1ccc(-c2ccc(-c3n[nH]cc3-c3nc4ccncc4[nH]3)cc2)cc1 72408584 FMHADCWTVZLKQO-UHFFFAOYSA-N 337.386 4.682 0 50 EJAA FC(F)(F)c1cccc(-c2noc(-c3coc(C4CCC4)n3)n2)c1 194872467 QOZXZRMZBJOXMU-UHFFFAOYSA-N 335.285 4.678 0 50 EJAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229423562 RPQXDXXKYICBSQ-VWKPWSFCSA-N 338.451 4.595 0 50 EJAA CC(C)[C@H](NC1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1 263443943 XHPKRLDFTODBJB-MOQPWLNLSA-N 343.389 4.636 0 50 EJAA Cc1cc(Br)ccc1OCCCN1C[C@@H](C)C[C@H](C)C1 2824874 VWMVMSIKIGCBCD-KBPBESRZSA-N 340.305 4.504 0 50 EJAA COc1ccccc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 3068158 FHBPHNZQKIMKBI-UHFFFAOYSA-N 341.410 4.875 0 50 EJAA Cc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)c(C)c1 4541792 OWSHMLBGOIPDPG-UXBLZVDNSA-N 330.225 4.718 0 50 EJAA CC1(C)c2ccccc2C2(OC(=O)c3ccccc32)c2ccccc21 4760167 ZCHSGGUJULXPLM-UHFFFAOYSA-N 326.395 4.788 0 50 EJAA CSC(=S)OC[C@H]1CC2c3ccccc3C1c1ccccc12 4800716 LTSLAZXKVXHJBF-RGZNSWCXSA-N 326.486 4.948 0 50 EJAA c1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 12403947 GWMCPCJSFNYUTI-IRLDBZIGSA-N 326.399 4.929 0 50 EJAA COc1ccccc1-c1cc(C(F)F)c2c(C)nn(C(C)C)c2n1 20603637 NEVYKNDQGNPBEL-UHFFFAOYSA-N 331.366 4.934 0 50 EJAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 36620361 FUMARGVNVUTPNI-QGZVFWFLSA-N 348.805 4.857 0 50 EJAA C[C@@H](c1cccc(-c2nccc(CCC(F)(F)F)n2)c1)N1CCCC1 71404260 PYQGUHBXFLFONB-AWEZNQCLSA-N 349.400 4.795 0 50 EJAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 64693 YSOAQHFSLOASSQ-UHFFFAOYSA-N 349.477 4.508 0 50 EJAA Cc1cc2nc(SCc3cc4c(cc3Cl)OCO4)[nH]c2cc1C 84194 NFXVWBIMYSCZHS-UHFFFAOYSA-N 346.839 4.854 0 50 EJAA ClC1(Cl)C[C@H]1Cn1c(Cc2ccccc2)nc2ccccc21 352644 QHWVATVYWWHPBN-AWEZNQCLSA-N 331.246 4.821 0 50 EJAA CC(C)Cc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 452111 JGGDYBWHESJTRG-UHFFFAOYSA-N 349.478 4.676 0 50 EJAA O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 466069 WWQAGFGNWAFEHB-UHFFFAOYSA-N 344.130 4.720 0 50 EJAA CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)cc1 609786 DZJJXEJRIMUKRZ-OAHLLOKOSA-N 328.481 4.750 0 50 EJAA CCOc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 616593 OEULJJVXYKAKMW-UHFFFAOYSA-N 339.504 4.716 0 50 EJAA CCc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 2947469 UUSYHVMVJMUGIM-KRWDZBQOSA-N 334.246 4.703 0 50 EJAA O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 3226632 CNVSGILXBGTTOV-CYBMUJFWSA-N 347.258 4.739 0 50 EJAA O=C(O)Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccccc1 3911089 RSTIZJLIEOPNLD-UHFFFAOYSA-N 344.823 4.834 0 50 EJAA CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 4488839 BKALWLMDIRFKGH-GOSISDBHSA-N 347.414 4.721 0 50 EJAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)o1 12594149 MDVSHGPCBDXYNY-OAHLLOKOSA-N 343.452 4.735 0 50 EJAA CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 17265363 NPPONDPRBOWTBX-MJGOQNOKSA-N 326.827 4.866 0 50 EJAA CCC[C@@H]1Oc2ccc(OCC)cc2[C@H]2CC(c3ccccc3)=NN12 25582963 XMSMRPZYNCKPPS-CTNGQTDRSA-N 336.435 4.755 0 50 EJAA O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1ccccc1F 36620666 HZFDWWNZBOUGJE-INIZCTEOSA-N 339.744 4.735 0 50 EJAA CCc1noc(CC)c1CN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 225510054 YEYLAVBCHOEMMC-LJQANCHMSA-N 337.467 4.756 0 50 EJAA Cc1noc(-c2ccc(-c3ccc([C@H](C)N4CCCCC4)cc3)nc2)n1 426730545 VRZLHHCAMAOLEW-HNNXBMFYSA-N 348.450 4.654 0 50 EJAA CC1(C)C[C@@H](c2ccccc2)CN1Cc1c(C(=O)O)oc2ccccc12 903934851 RWVJIAGKTVSWGM-MRXNPFEDSA-N 349.430 4.899 0 50 EJAA Cc1c(CN2CC[C@](O)(C3CCC3)[C@@H](C)C2)[nH]c2c(Cl)cccc12 1565511147 ZNVNRWXYQWKOIK-RNODOKPDSA-N 346.902 4.503 0 50 EJAA Cc1cc(NC(=O)C23CCCCC2CCCC3)cnc1OC(F)F 1875328636 CQEAZWMHCKVYCH-UHFFFAOYSA-N 338.398 4.681 0 50 EJAA Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)O 115299 GBDGYUJCUJUZJG-UHFFFAOYSA-N 348.221 4.732 0 50 EJAA Cc1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1C 289154 RYIOKGGGQBYMMR-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA COc1cc(C=O)ccc1OC(=O)c1sc2ccccc2c1Cl 333931 JJKBVADNSVTNHX-UHFFFAOYSA-N 346.791 4.595 0 50 EJAA Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c(Cl)c1 406783 JONCMRSPKDOGRU-HZPDHXFCSA-N 345.233 4.731 0 50 EJAA Cc1csc2[n+]1[C@H](c1ccccc1)c1cc(Cl)ccc1N2C 3199958 RCECMLXAHUOJSD-QGZVFWFLSA-N 327.860 4.716 0 50 EJAA Cc1cc(C)cc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 5050248 HJQMKDMSWUIXFY-UHFFFAOYSA-N 344.414 4.808 0 50 EJAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@@H]1c1ccccn1 221183845 UQRZASLFWJQXEH-GOSISDBHSA-N 339.826 4.584 0 50 EJAA COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(C)s2)C2CC2)cc1 952978872 CHHWFTXLHFNRTN-CQSZACIVSA-N 344.480 4.500 0 50 EJAA COc1ccc(-c2ccc(-c3nnc(C)o3)cc2)c2ccc(C)nc12 1239019994 NOHMAROBJGLXCZ-UHFFFAOYSA-N 331.375 4.577 0 50 EJAA CSc1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)nc1 2356138306 IWCXUPMPDKSJFG-UHFFFAOYSA-N 329.375 4.887 0 50 EJAA Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1 103962 JUKOTKFMFOWUHT-UHFFFAOYSA-N 341.414 4.895 0 50 EJAA Cc1cccc(C)c1NC(=O)c1cccc2c1-c1ccccc1C2=O 116896 DQHVWEVLWWGYRM-UHFFFAOYSA-N 327.383 4.767 0 50 EJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1 282048 SJHXRMMNQDOTMJ-NEPJUHHUSA-N 338.234 4.638 0 50 EJAA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 375383 YRZBUUHBMRPCDM-UHFFFAOYSA-N 329.614 4.969 0 50 EJAA CC[C@H](C(=O)N(Cc1ccccc1)c1ccccn1)c1ccccc1 442269 QEBIWXWEYBHQAJ-FQEVSTJZSA-N 330.431 4.809 0 50 EJAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 611313 NWPZHGRKNIGKHO-CYBMUJFWSA-N 342.464 4.780 0 50 EJAA CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 859269 RRZWIDGEDLBPSQ-UHFFFAOYSA-N 338.451 4.716 0 50 EJAA CC[C@](O)(c1ccc(OC)cc1)[C@@H](c1ccccc1)c1ccccn1 1608997 AAIGFEFEYXEACA-VXKWHMMOSA-N 333.431 4.520 0 50 EJAA biogenic Nc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccc(Cl)cc2)n1 1646446 WWBMPSXRTRZHJM-UHFFFAOYSA-N 346.221 4.853 0 50 EJAA Cc1nn2c(Nc3ccncc3)cc(C(C)C)nc2c1-c1ccccc1 2353642 BNXRPZIDPGQNMM-UHFFFAOYSA-N 343.434 4.967 0 50 EJAA CCCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 5325030 BUSVPERLVHHBPZ-UHFFFAOYSA-N 344.480 4.506 0 50 EJAA CCOc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 20176367 HEOJLKCUDZTUIU-NSHDSACASA-N 336.794 4.761 0 50 EJAA COc1ccc(C)cc1NC(=O)c1cccc(-c2ccccn2)c1C 165356103 GBEYKHLISFWHAO-UHFFFAOYSA-N 332.403 4.626 0 50 EJAA CC(C)c1ncc(-c2cccc(C(=O)N(C)Cc3ccoc3)c2)s1 534590947 ZDKUMVSMYUDFPM-UHFFFAOYSA-N 340.448 4.799 0 50 EJAA Cc1cc(F)cc(C)c1SCCCn1c(O)nc2ccccc21 1875361909 HOZACWXQFJDRBH-UHFFFAOYSA-N 330.428 4.680 0 50 EJAA O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(OC(F)F)c1 374208 IJEAQUKAGVWSEJ-UHFFFAOYSA-N 331.240 4.559 0 50 EJAA O=C(NC1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 468009 YJLIKNIYLBJKEK-UHFFFAOYSA-N 343.854 4.982 0 50 EJAA COc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)cc(=O)o1 4754411 BVRBRAPHJFYVCY-UHFFFAOYSA-N 348.185 4.684 0 50 EJAA CC(C)CC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 4842698 FESIWNZLFZGGTD-UHFFFAOYSA-N 329.787 4.528 0 50 EJAA CCC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 4842985 IVHDGJMGVNEADX-UHFFFAOYSA-N 338.190 4.561 0 50 EJAA COc1ccccc1[C@H](CC(=O)c1ccccc1)[C@@H]1CCCCC1=O 5016794 ZVJXAYGMMPCTCX-PKOBYXMFSA-N 336.431 4.811 0 50 EJAA Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1cccs1)C2 10156565 BFIXVZVZAAEJMT-CYBMUJFWSA-N 335.432 4.503 0 50 EJAA CC(C)(C)CN1CCC[C@@H](c2[nH]ncc2-c2cc(F)ccc2F)C1 12098149 XJXPPIYWHBZEGX-CYBMUJFWSA-N 333.426 4.580 0 50 EJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 12717943 DLZOXUYXAMJVJA-SFHVURJKSA-N 325.477 4.503 0 50 EJAA CC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1ccco1 65386114 YVPKOQLIJRTPRF-INIZCTEOSA-N 332.407 4.543 0 50 EJAA COc1ccc(Oc2ccnc3ccccc23)cc1CN1CCCC1 67755618 JNVKGCZBYLUOCP-UHFFFAOYSA-N 334.419 4.632 0 50 EJAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2ccc(C)o2)c1 952965750 CLGNSQFLILLOTQ-LJQANCHMSA-N 334.419 4.873 0 50 EJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 1351367525 BGNNMFHUXYQKRC-UHFFFAOYSA-N 343.732 4.928 0 50 EJAA Cc1cc(Oc2ccccc2)nc(N2CC[C@H]2c2cccc(F)c2)n1 1875333993 SSSOIGRJUGCJMD-SFHVURJKSA-N 335.382 4.668 0 50 EJAA Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1 104094 LBUNJHSGBOXMBB-UHFFFAOYSA-N 343.473 4.833 0 50 EJAA CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccccc1C 445755 MKNJIRSYJIUOAY-UHFFFAOYSA-N 345.464 4.684 0 50 EJAA CC(C)(C)c1cc(Cl)c(O)c(NC(=O)CCc2ccccc2)c1 617463 BCGQNIYIUUABDK-UHFFFAOYSA-N 331.843 4.914 0 50 EJAA CC(C)Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 2383642 ISIQAXMEPJVWRK-FMIVXFBMSA-N 327.855 4.868 0 50 EJAA Cc1ccccc1-c1cc(C(=O)NC2CC2)c2cc(Cl)ccc2n1 2867757 UCPHYBXHPQUVIB-UHFFFAOYSA-N 336.822 4.756 0 50 EJAA CCOC(=O)c1c(NC=O)sc2c1CCCCCCCCCC2 4087335 UWVBFBOHYYQQSI-UHFFFAOYSA-N 337.485 4.713 0 50 EJAA O=C(NCCc1cc2ccccc2[nH]1)Nc1cccc2ccccc12 6700749 LXBZSJRDWOROLT-UHFFFAOYSA-N 329.403 4.685 0 50 EJAA CCCCN(Cc1ccccc1)Cc1nc(CCc2ccccc2)no1 12478837 JAOBZHTVOOCAKA-UHFFFAOYSA-N 349.478 4.657 0 50 EJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 14042264 OJZBSPQFJNWIIM-QGZVFWFLSA-N 346.814 4.542 0 50 EJAA O=C(c1ccccc1)[C@@H](CN1CC2CCC(CC2)C1)c1ccccc1 71770255 YLYQJFCQOOVFGR-AJTFCVKESA-N 333.475 4.775 0 50 EJAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COc2cccc3ccccc23)C1 100987536 XVEVHEMDUBNXEZ-HTAPYJJXSA-N 337.463 4.646 0 50 EJAA O=C(N[C@H]1CCCc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 222000925 QWFIXKWOJHXHFC-MUPOMJOGSA-N 343.898 4.758 0 50 EJAA CCCC[C@@H](NC(=O)CCc1ccccc1Cl)c1cccnc1 670454884 VDAQMNTWPPNAPJ-GOSISDBHSA-N 330.859 4.715 0 50 EJAA O=C(Nc1cccc2c1CNCC2)c1csc(C2CCCCC2)c1 2325840800 RAMGKOSDYCBMCT-UHFFFAOYSA-N 340.492 4.694 0 50 EJAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)Nc2ccccc2)c1 406697 YOARUZKYODXEMM-UHFFFAOYSA-N 330.387 4.870 0 50 EJAA CCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 442478 ATYCCOLSGSBFIZ-NSHDSACASA-N 338.234 4.962 0 50 EJAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F 1124357 QRHZTIHFMBQEDB-GFCCVEGCSA-N 333.378 4.668 0 50 EJAA c1ccc(C(CN2CCC(N3CCCCC3)CC2)c2ccccc2)cc1 2498214 CAQCQGSEEMLIKM-UHFFFAOYSA-N 348.534 4.769 0 50 EJAA CCOc1cc(C=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 2877563 XNZVBGVDTXIRJE-INIZCTEOSA-N 342.435 4.869 0 50 EJAA COc1ccc(SCC(O)(c2ccccc2)c2ccccc2)cc1 3128433 QPZHHNSKPQZKLP-UHFFFAOYSA-N 336.456 4.723 0 50 EJAA Cc1cc(C)c2c(CC(=O)Nc3nc4ccccc4s3)coc2c1 4820411 RIFOXYWBHUKJRH-UHFFFAOYSA-N 336.416 4.841 0 50 EJAA CCCCCCc1c(-c2ccccc2)[nH]c(-c2ccccc2O)[n+]1[O-] 5418448 GUKGQHAROZWACI-UHFFFAOYSA-N 336.435 4.811 0 50 EJAA O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 5520696 HNHSNBXXGBXNBF-UHFFFAOYSA-N 325.371 4.549 0 50 EJAA CC[C@H](C)N(Cc1ccsc1)Cc1c(Cl)nc2sccn12 55308119 TXWCROCSESTBCB-NSHDSACASA-N 339.917 4.911 0 50 EJAA Cc1ccoc1C(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 55393276 KCPUVKYEDWWKKL-UHFFFAOYSA-N 348.402 4.709 0 50 EJAA C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2c1c(C)nn2C1CCCCC1 65531862 GGOWNZGOWRXNLD-HVJHFUJKSA-N 339.439 4.819 0 50 EJAA O=C(Nc1ccccc1)O[C@@H]1[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2 239339186 LURDPRCEUSFKGO-FRYIKTPZSA-N 342.483 4.668 0 50 EJAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257345596 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