smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOCc1ccccc1NC(=O)OCCN1CCCC1 1853424 PVKDLNHLBQODOM-UHFFFAOYSA-N 292.379 2.867 0 30 CFAC NCc1ccc(Br)cc1OC(F)(F)F 96028845 WCBVBEQNZPEIDX-UHFFFAOYSA-N 270.048 2.806 0 30 CFAC CC1(C)CCC[C@@]2(O)Cc3c(O)ccc(O)c3C[C@H]12 13407976 STRGITGQLGORKH-GDBMZVCRSA-N 262.349 2.754 0 30 CFAC NC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O 86313 DFIWDFFBFHYEFQ-UHFFFAOYSA-N 270.332 2.606 0 30 CFAC CN(CC(=O)Cc1ccccc1)C(=O)OC(C)(C)C 238307029 HBEDDHCLQCUZKQ-UHFFFAOYSA-N 263.337 2.665 0 30 CFAC COC(=O)c1ccc2[nH]c3ccc(C(=O)OC)cc3c2c1 1671064 MSIMLJKNXDMHNO-UHFFFAOYSA-N 283.283 2.894 0 30 CFAC CCOC(=O)c1cc2cc(F)ccc2nc1C(=O)OCC 32099216 CAGDPCQGJPGFON-UHFFFAOYSA-N 291.278 2.727 0 30 CFAC CN(C)NC(=S)Nc1cccc(Cl)c1Cl 98313 APLCMEGYWRGYEQ-UHFFFAOYSA-N 264.181 2.756 0 30 CFAC Cc1nn(C)c(C)c1Oc1nc(Cl)c(C(=O)O)s1 129063282 RCVBPUNRDZHDGL-UHFFFAOYSA-N 287.728 2.637 0 30 CFAC Cc1ccc(C(=O)O)c(OC[C@@H]2CCCCO2)c1 42220562 ZCEDENINMACMGC-NSHDSACASA-N 250.294 2.641 0 30 CFAC CN1c2cc(Br)ccc2NC(=O)C1(C)C 86159122 ICFZYSATUZBWOF-UHFFFAOYSA-N 269.142 2.616 0 30 CFAC O=C(O)CCC(=O)/C=C/c1ccc(Br)cc1 205043443 QIFUPUVQSHKIAA-ZZXKWVIFSA-N 283.121 2.896 0 30 CFAC O=C(O)c1ccc(Br)cc1OC(F)F 44483405 BWZLXDPXWIKMBI-UHFFFAOYSA-N 267.025 2.749 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@H]2c2ccccc21 101095931 ZJHFVSCJIQAGQF-AAEUAGOBSA-N 274.364 2.745 0 30 CFAC COC(=O)c1cc(C(=O)c2ccccc2)ccc1OC 197279427 TWKBRLSTIOMVTB-UHFFFAOYSA-N 270.284 2.713 0 30 CFAC CCCCCC[C@@H]([C@@H](C)O)n1cnc2cncnc21 5820469 ZTSORWGHRMIOHU-YPMHNXCESA-N 262.357 2.719 0 30 CFAC O=C1CCC(=O)N1CNc1cc(Cl)ccc1Cl 138591 BOBFGXMQKLMGFP-UHFFFAOYSA-N 273.119 2.512 0 30 CFAC CC(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 41325528 FCFPFCJREPENGZ-UHFFFAOYSA-N 255.358 2.859 0 30 CFAC CCOC(=O)c1cc2ccncc2c(Br)n1 95830828 PWMBDHCPLLGYSW-UHFFFAOYSA-N 281.109 2.569 0 30 CFAC Cc1cc(-c2ccccc2Br)nc(N)n1 52837953 HNXXKAQRFWRVNY-UHFFFAOYSA-N 264.126 2.797 0 30 CFAC CCOC(=O)c1cc(Cl)cc(Br)c1N 68575875 ZBCQHMOWJBMTDT-UHFFFAOYSA-N 278.533 2.861 0 30 CFAC in-vitro CC(C)N1C[C@@H](COc2ccccc2Cl)OC1=O 74122 VOCJQKCODJTPII-JTQLQIEISA-N 269.728 2.948 0 30 CFAC CC(=O)Nc1ccc(S(=O)(=O)Cc2ccccc2)cc1 1672468 QJBCHPWYKRKKRK-UHFFFAOYSA-N 289.356 2.619 0 30 CFAC CSc1ccc([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1 4371012 OMRPJKRBLSMJKT-QWRGUYRKSA-N 283.418 2.975 0 30 CFAC O=C(Nc1ccccn1)c1cc2cc(F)ccc2[nH]1 32759630 REMADOXQUJVXEN-UHFFFAOYSA-N 255.252 2.954 0 30 CFAC CC(=O)O[C@H]1[C@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 33650446 GJSSYQDXZLZOLR-ONUGHKICSA-N 298.386 2.689 0 30 CFAC in-vitro O=C(Cc1c(O)c2ccccc2oc1=O)c1ccccc1O 117759 GAHZSGUHHWBTOH-UHFFFAOYSA-N 296.278 2.630 0 30 CFAC CC(C)(C)OC(=O)NC[C@H]1CNc2ccccc2C1 84800807 BNJKIEMYEFWKNX-LLVKDONJSA-N 262.353 2.796 0 30 CFAC O[C@@H]1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23 6117846 KOIGYXJOGRVNIS-HFBAOOFYSA-N 268.360 2.845 0 30 CFAC in-man CN(C(=O)OC(C)(C)C)[C@@H](CN)c1ccccc1 19682598 JSXCPTWNVQDNND-LBPRGKRZSA-N 250.342 2.553 0 30 CFAC OCCNC(=S)Nc1ccccc1-c1ccccc1 4361675 CUVQGWGUROXWLT-UHFFFAOYSA-N 272.373 2.632 0 30 CFAC Nc1c(Br)cnc2c(F)cc(F)cc12 41702351 YDQSPHUFVKMTTJ-UHFFFAOYSA-N 259.053 2.858 0 30 CFAC CCOC(=O)c1cc2cccc(C)c2nc1C(=O)OCC 32099222 LXAYTSGRZUPJDF-UHFFFAOYSA-N 287.315 2.897 0 30 CFAC N[C@]1(c2ccccc2)CCN(Cc2ccccc2)C1 211445122 MENLHMNABZXCRV-QGZVFWFLSA-N 252.361 2.747 0 30 CFAC CCCOc1nc(N)c2ncn(C3CCCCC3)c2n1 1855979 HCCZHQLKTDQYBT-UHFFFAOYSA-N 275.356 2.703 0 30 CFAC CC(=O)CC(=O)OC[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 256313341 OAGHHOVAANMDCH-PDWCTOEPSA-N 250.338 2.581 0 30 CFAC Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)no1 90960 HTRBJDLCXMXMRJ-UHFFFAOYSA-N 290.703 2.576 0 30 CFAC S=C1NC2=C(CCc3ccccc32)[C@H](c2cccnc2)N1 159895 LDJMDFWIGNVNEN-HNNXBMFYSA-N 293.395 2.958 0 30 CFAC CCOC(=O)c1csc(-c2ccc3c(c2)CCO3)n1 113636 WRJLKGOWXIVVOF-UHFFFAOYSA-N 275.329 2.922 0 30 CFAC COC(=O)Cc1cccc(C(=O)c2ccccc2)c1 39122579 QTXILVCSTXQKLF-UHFFFAOYSA-N 254.285 2.633 0 30 CFAC in-vitro CCc1ccc(NC(=S)NNC(C)(C)C)cc1 99308 MNHDYHHUNXEKRW-UHFFFAOYSA-N 251.399 2.839 0 30 CFAC COC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)N1[C@H](C)c1ccccc1 105507803 PWUWUKQPSOGOPL-NGFQHRJXSA-N 257.333 2.550 0 30 CFAC O[C@H](CNCc1cc2ccccc2s1)C(F)(F)F 4389265 TXJJQFYTLOSLQA-LLVKDONJSA-N 275.295 2.914 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](N)CC[C@@H]21 76695231 YPAOLNGJEGCXIG-WOPDTQHZSA-N 254.374 2.513 0 30 CFAC O=C(O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1ccccc1 382674707 LPMRHXFWNPQQEQ-IAGOWNOFSA-N 297.354 2.713 0 30 CFAC N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 114029250 ONXHCEMNMVLTOY-DLBZAZTESA-N 270.351 2.752 0 30 CFAC Cc1cc(C(=O)NCc2cc3ccccc3s2)nn1C 1025834 ZOTOZWKGAUPLRK-UHFFFAOYSA-N 285.372 2.873 0 30 CFAC CN1CCC(Oc2cc(N)cc(C(F)(F)F)c2)CC1 118289780 QGTLAVDLEJHEKR-UHFFFAOYSA-N 274.286 2.761 0 30 CFAC C[C@@H](COc1nsc2ccccc12)CN(C)C 38647015 SHFVVLRIJMFSIG-SNVBAGLBSA-N 250.367 2.873 0 30 CFAC C[C@H](Oc1cc(N)ncc1Br)C1CCC1 719800029 XICHHZUMCYVTSR-ZETCQYMHSA-N 271.158 2.994 0 30 CFAC C[C@H]1CCCCN1CCCOC(=O)COc1ccccc1 1844567 DPFSZEXJIOUDSW-HNNXBMFYSA-N 291.391 2.873 0 30 CFAC O=C(O)[C@@H]1c2ccccc2CN1Cc1ccccc1 146319871 YEXPMBPUCONRPR-HNNXBMFYSA-N 253.301 2.828 0 30 CFAC CC1(C)C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 642881827 OCDAHHCZFHVXML-GFCCVEGCSA-N 277.320 2.508 0 30 CFAC O=C(O)CCCNC(=S)Nc1ccc(F)c(Cl)c1 3138492 DSBDNJMUKBBETI-UHFFFAOYSA-N 290.747 2.630 0 30 CFAC CN(C)CCCOC1CC(C)(C)N(C)C(C)(C)C1 4217247 GCBWOTFSWXWNDL-UHFFFAOYSA-N 256.434 2.606 0 30 CFAC in-man Cc1nn(C)c(Cl)c1C=NOC(=O)c1ccc(F)cc1 254289309 OYSFVKXMYQPQHY-UHFFFAOYSA-N 295.701 2.712 0 30 CFAC CC(=O)O[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1OC(C)=O 142960896 CYCAUWWXYWATRT-XQQFMLRXSA-N 256.342 2.696 0 30 CFAC CCn1nc2c(c1C)[C@@](O)(CCCN(C)C)c1ccccc1-2 3604191 MQUIEPIATGXFNU-GOSISDBHSA-N 299.418 2.770 0 30 CFAC CCn1nc(C)c2c1-c1ccccc1[C@@]2(O)CCCN(C)C 3604172 YQCRACQDEOQAIW-SFHVURJKSA-N 299.418 2.770 0 30 CFAC Cc1ccccc1[S@](=O)c1ccccc1C(=O)O 8648610 IBPHGIZYRDKADS-GOSISDBHSA-N 260.314 2.860 0 30 CFAC CCOC(=O)c1ccc2cc(Br)ccn12 238265498 SGJXVSOKUUEWKQ-UHFFFAOYSA-N 268.110 2.879 0 30 CFAC Brc1nn2cc(-c3cccnc3)nc2s1 36939199 ZADGBBLLNXSLEP-UHFFFAOYSA-N 281.138 2.615 0 30 CFAC in-vitro CC(=O)OC[C@@H](C)[C@H](CC=C(C)C)COC(C)=O 238790692 RTKRUXKAHYHHID-BXUZGUMPSA-N 256.342 2.721 0 30 CFAC CCOC(=O)C(=C/C=C/c1ccccc1)C(=O)OCC 2172009 DRRHNLFDEWIFTL-DHZHZOJOSA-N 274.316 2.752 0 30 CFAC CNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1 125242 JFFIYJZSMBSCPM-UHFFFAOYSA-N 289.282 2.527 0 30 CFAC COC(=O)[C@H]1CCN[C@H](c2cccc(Cl)c2)C1 257845356 ADFBOZGIGWDLPK-JQWIXIFHSA-N 253.729 2.554 0 30 CFAC CCOP1OCC2(CO1)COP(OCC)OC2 5650821 JFKBOXCLIYTENC-UHFFFAOYSA-N 284.185 2.593 0 30 CFAC C[C@]1(O)[C@@H](O)c2ccccc2O[C@H]1c1ccccc1 136543626 QKLPRBNNCCTSGT-JYJNAYRXSA-N 256.301 2.605 0 30 CFAC CCCCCCC1=C[C@@H](NC#N)C(C)=C[C@H]1NC#N 96346878 YGDZVBSMCUIXMN-HUUCEWRRSA-N 258.369 2.722 0 30 CFAC OC1CSCCSCCCSCCSC1 5600186 FQPIEYPGRXQIOL-UHFFFAOYSA-N 284.537 2.684 0 30 CFAC C[C@H]1Oc2cc3cc(C(F)(F)F)cnc3cc2NC1=O 2265385630 UBMFZDPESJAMGU-ZCFIWIBFSA-N 282.221 2.973 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](N)CC[C@H]21 250600772 YPAOLNGJEGCXIG-IJLUTSLNSA-N 254.374 2.513 0 30 CFAC C[C@@H](Br)C(=O)C[C@H](C(=O)O)c1ccccc1 6032443 DNDCKTJRGLMEAR-SCZZXKLOSA-N 285.137 2.597 0 30 CFAC CC(C)[C@@H]1OCCC[C@H]1Nc1cc(Cl)ncn1 98113871 OMXGZMIVUXENNK-SKDRFNHKSA-N 255.749 2.746 0 30 CFAC Cc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1C 13468666 GTVFZQYNCFVNOD-KBPBESRZSA-N 257.333 2.983 0 30 CFAC Nc1ncc(Cc2ccc(Cl)cc2Cl)c(N)n1 15444055 CKKVFDQYOWXYQH-UHFFFAOYSA-N 269.135 2.539 0 30 CFAC Nc1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1 145492 IIIBGHFAYVJNTN-UHFFFAOYSA-N 267.737 2.755 0 30 CFAC N[C@H](CC(F)(F)F)c1cnn(-c2ccccc2)c1 36893168 BGOURPAACIYLDO-LLVKDONJSA-N 255.243 2.825 0 30 CFAC CSc1c(C(N)=O)c(-c2ccc(Cl)cc2)nn1C 95370 LYCPXWHWUCYTQM-UHFFFAOYSA-N 281.768 2.561 0 30 CFAC O=C(O)c1sc2cc3c(cc2c1Cl)OCO3 197076890 NOPFDJWFUJRYRA-UHFFFAOYSA-N 256.666 2.982 0 30 CFAC COc1cc(C(=O)c2ccccc2)c(OC)cc1N 5319096 XVRYJVBZYWBOFI-UHFFFAOYSA-N 257.289 2.517 0 30 CFAC CC(=O)CC(=O)OC[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 256313337 OAGHHOVAANMDCH-HTVCTNPSSA-N 250.338 2.581 0 30 CFAC Cn1ccsc1=NC(=O)Nc1cccc(Cl)c1 254703897 VXVHNTWNSVPFOF-UHFFFAOYSA-N 267.741 2.873 0 30 CFAC N[C@@H](CC(F)(F)F)c1cnn(-c2ccccc2)c1 36893169 BGOURPAACIYLDO-NSHDSACASA-N 255.243 2.825 0 30 CFAC CCCCCn1ccc(I)n1 86789282 WEGVEZPAVZHBND-UHFFFAOYSA-N 264.110 2.678 0 30 CFAC Cc1nnc(-c2ccc(C(F)(F)F)cn2)nc1C 127310 FASBKQMYWZBMGT-UHFFFAOYSA-N 254.215 2.569 0 30 CFAC CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(Cl)n1 98113875 VDAGIWRCCKIILV-KOLCDFICSA-N 255.749 2.746 0 30 CFAC CC(=O)[C@H]1C(=O)c2ccccc2N(Cc2ccccc2)C1=O 957741146 RKHNVFOFLOHRRG-INIZCTEOSA-N 293.322 2.621 0 30 CFAC O=C(O)c1ccc(-n2nc(Cc3ccccc3)cc2O)cc1 328579369 CWDMZUWIRAKUIJ-UHFFFAOYSA-N 294.310 2.867 0 30 CFAC CC(=O)c1cccc(OC[C@@H](O)CN(C(C)C)C(C)C)c1 1729453 NIDGVUXXKZQYKG-INIZCTEOSA-N 293.407 2.748 0 30 CFAC C=CC(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1 5192902 LJWQJECMFUGUDV-UHFFFAOYSA-N 268.268 2.715 0 30 CFAC CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)s1 34462849 VJWRWJGBMRLBDV-UHFFFAOYSA-N 257.311 2.818 0 30 CFAC in-vitro Cc1ccc([S@@](=O)C2=CCCC23OCCO3)cc1 137454263 SRKDNEQLGNWBDN-SFHVURJKSA-N 264.346 2.523 0 30 CFAC CC(C)CC(=O)Nc1cncc(Br)c1 82350994 UQWKEKGLIOPWDO-UHFFFAOYSA-N 257.131 2.829 0 30 CFAC CC1=C2[C@H](/C=C(/C)C(=O)O)CC[C@H](C)[C@@H]2C[C@@H]1O 96327023 LHSNXDDJSAHAFU-VCJXGUAOSA-N 250.338 2.761 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCCN1 96946815 XOZZUEAIFAOYDA-CHWSQXEVSA-N 268.401 2.918 0 30 CFAC Cn1cc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc21 39003242 DMVYZQQJFCYEGQ-UHFFFAOYSA-N 291.310 2.579 0 30 CFAC Brc1ccc(N[C@H]2CCCCO2)nc1 34547276 VQGYOULNRBTPKB-SNVBAGLBSA-N 257.131 2.783 0 30 CFAC CC(C)(C)OC(=O)NCCCc1cccc(C(=O)O)c1 113567114 KZUQAVCHEXVTTF-UHFFFAOYSA-N 279.336 2.842 0 30 CFAC CC(=O)Nc1cc2c(cc1Br)CCC2=O 38438397 QXKFCOLJFYLSIC-UHFFFAOYSA-N 268.110 2.536 0 30 CFAC C[C@@H](N)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 406553611 KFLMOVLYLSUONJ-ODWCKFRGSA-N 268.401 2.902 0 30 CFAC Cc1cc(I)c(Cl)cn1 95762080 KHSNQKTYIAUNST-UHFFFAOYSA-N 253.470 2.648 0 30 CFAC C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](N)c1ccccc1 19483086 DRRDGSPXILWLQL-YUELXQCFSA-N 260.381 2.771 0 30 CFAC N#Cc1cnn2c(C=Cc3cccs3)ccnc12 4089896 IDUFMWUHCOVRAW-UHFFFAOYSA-N 252.302 2.833 0 30 CFAC CC(=O)OC[C@@H](C)[C@@H](CC=C(C)C)COC(C)=O 238790691 RTKRUXKAHYHHID-RISCZKNCSA-N 256.342 2.721 0 30 CFAC CCn1nc(C)cc1-c1nnc(S)n1-c1ccccc1 121109 ZEQKUZZCXKEXPU-UHFFFAOYSA-N 285.376 2.748 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@@H](c2cc(F)ccc2F)C1 71652496 FFGIKYZKXQYOOG-CYBMUJFWSA-N 298.333 2.846 0 30 CFAC CSc1ccc(N)c(I)c1 140910040 GSOYWOHDSKTUTO-UHFFFAOYSA-N 265.119 2.595 0 30 CFAC CCN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1N 5139648 VEHKICBEAPZSJG-UHFFFAOYSA-N 290.388 2.792 0 30 CFAC C[Si](C)(C)CCOCn1cnc(Br)c1 203655459 QZQNLDDEEOOPRK-UHFFFAOYSA-N 277.238 2.958 0 30 CFAC O=C(O)c1[nH]c2cc(Br)ccc2c1F 527406712 RGHRHWXLBYZXIS-UHFFFAOYSA-N 258.046 2.768 0 30 CFAC Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1 79033893 XXWLGPHNPXIHPM-UHFFFAOYSA-N 286.356 2.890 0 30 CFAC Cc1c(-c2ccc3c(c2)OCCCC3=O)cnn1C 407987039 UIRROEUDARDBSX-UHFFFAOYSA-N 256.305 2.751 0 30 CFAC O=C(O)C[C@@H]1OCCc2sc(Br)cc21 57218978 INSFFHPIZIBRSG-LURJTMIESA-N 277.139 2.599 0 30 CFAC CC(C)(C)OC(=O)NCCCNCC1CCCC1 135269966 DFNLEBSLXRVAFL-UHFFFAOYSA-N 256.390 2.681 0 30 CFAC CC(C)(C)OC(=O)N1CCC(C23CC(O)(C2)C3)CC1 2265378618 JARAXNSECISCAU-UHFFFAOYSA-N 267.369 2.549 0 30 CFAC O=C(O)CCNC(=S)Nc1cccc(Cl)c1Cl 71639 VHODDRPGVNUZBU-UHFFFAOYSA-N 293.175 2.755 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]2NCCC[C@H]21 96897189 ZEWPTYZXCIAUHS-NWDGAFQWSA-N 254.374 2.528 0 30 CFAC Cc1ccc(C(=O)Cc2ccc([S@](C)=O)cc2)cn1 39044499 NSLOBCYFRMBVDZ-LJQANCHMSA-N 273.357 2.553 0 30 CFAC FC(F)(F)c1ccc(-c2noc(-c3ccno3)n2)nc1 114293 BTAMYQPAUFWKRB-UHFFFAOYSA-N 282.181 2.805 0 30 CFAC Nc1cc(C(F)(F)F)ccc1N1CCSCC1 20256810 KSHUBJXDLKBQRU-UHFFFAOYSA-N 262.300 2.841 0 30 CFAC I/C=C\c1ccc2c(c1)OCO2 30677962 AACFKGATIHVYBK-ARJAWSKDSA-N 274.057 2.821 0 30 CFAC CCOC(=O)[C@@H]1CCCC1=NNc1ccc(C(=O)O)cc1 254509116 MYRMLLKWSTZGRS-GFCCVEGCSA-N 290.319 2.516 0 30 CFAC CN1CCc2cc3c(c4c2[C@H]1Cc1cccc(O)c1-4)OCO3 898765 IKMXUUHNYQWZBC-GFCCVEGCSA-N 295.338 2.873 0 30 CFAC biogenic,in-vivo Nc1nnc(SCCCCO[C@@H]2CCCCO2)s1 4336353 WKNXVWIKBKBZOH-SECBINFHSA-N 289.426 2.536 0 30 CFAC COc1ccc(CN[C@H](CCO)c2ccco2)cc1 95882031 AADRUNVXDNEIHW-CQSZACIVSA-N 261.321 2.502 0 30 CFAC CSc1sc(C(=O)O)cc1Br 68592206 NVPNFADNODWZON-UHFFFAOYSA-N 253.142 2.931 0 30 CFAC C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 39117809 PKESANRWRSNJHN-VIFPVBQESA-N 250.294 2.614 0 30 CFAC B[PH]1(c2ccccc2)O[C@@H](c2ccccc2)[C@H](C)N1C 299803397 NXANJNCNWVXITI-XJKSGUPXSA-N 285.136 2.532 0 30 CFAC CC(C)(C)c1cc2ncnc(N3CCOCC3)c2s1 117013 ODUHAQZHIUPRFH-UHFFFAOYSA-N 277.393 2.825 0 30 CFAC COC(=O)C=COC(=O)c1ccc(C(C)(C)C)cc1 2265270035 ASCNMNUWBMJGOW-UHFFFAOYSA-N 262.305 2.828 0 30 CFAC COCCN[C@@H]1CCCN(Cc2ccc(Cl)cc2)CC1 66347663 OIYBUPBURPHKFF-MRXNPFEDSA-N 296.842 2.931 0 30 CFAC CC(C)(COCc1ccccc1)[C@@H]1CC(=O)CCO1 224741787 XDDHCQSORAGPNL-HNNXBMFYSA-N 262.349 2.978 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN1 96958502 SORFVNGKJQCDMN-VXGBXAGGSA-N 254.374 2.528 0 30 CFAC COc1ccc2c(c1)O[C@@]1(O[C@H]1c1ccccc1)C2=O 32267285 XQNZZUOCNPCTPY-JKSUJKDBSA-N 268.268 2.738 0 30 CFAC C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C(=O)C1CC1 238790281 IMYFCLLEKFFDDC-ONUMYQOESA-N 285.387 2.853 0 30 CFAC CNC[C@H](O)c1ccc(OCc2ccccc2)cc1 22062562 OJLDKTDDGHUVLX-INIZCTEOSA-N 257.333 2.518 0 30 CFAC in-vitro O=C(Oc1ccc(-c2csnn2)cc1)c1cccnc1 107409 ZIUZQSWESHJHCY-UHFFFAOYSA-N 283.312 2.819 0 30 CFAC COC(=O)c1cc2cc(S(=O)(=O)Cl)sc2s1 137132029 XZFRMRQFVOPBHA-UHFFFAOYSA-N 296.778 2.677 0 30 CFAC O=C(NC(=O)c1c(F)cccc1Cl)c1ccccc1O 157597 TUBNZOXCIPJJAQ-UHFFFAOYSA-N 293.681 2.755 0 30 CFAC O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(F)cc1F 146663 RSMOVZBUXLFULH-UHFFFAOYSA-N 289.237 2.888 0 30 CFAC CCOP(CS(=O)(=O)c1ccccc1)OCC 4352619 MFBVTUNHNZWAQT-UHFFFAOYSA-N 276.294 2.803 0 30 CFAC CC(=O)[C@@H]1C(=O)c2ccccc2N(Cc2ccccc2)C1=O 957741147 RKHNVFOFLOHRRG-MRXNPFEDSA-N 293.322 2.621 0 30 CFAC Cc1ccc(CNC(=O)c2cccc3nsnc23)cc1 12341003 NOVLHFOKOJRWET-UHFFFAOYSA-N 283.356 2.930 0 30 CFAC COC(=O)[C@H](O)CCCc1ccc(C(F)(F)F)cc1 238853057 IEIFVPXMSCENBV-LLVKDONJSA-N 276.254 2.562 0 30 CFAC O=C(NCCc1ccccc1)c1ccc2snnc2c1 171485 JYCQHXMBKMJSJW-UHFFFAOYSA-N 283.356 2.664 0 30 CFAC CC(C)(C)C(=O)NCc1ccc(-c2csnn2)cc1 106566 IXEVEHJSLJCXEH-UHFFFAOYSA-N 275.377 2.867 0 30 CFAC CCc1nc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 4302693 NKAPDMFASDJUOH-FLIBITNWSA-N 253.305 2.773 0 30 CFAC COC(=O)c1cc(C(F)(F)F)c(Cl)cc1N 261508744 WLGUQRPOVNOWNO-UHFFFAOYSA-N 253.607 2.728 0 30 CFAC O=S(=O)(Cc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1O 74651 VYXJJRMZUCWARE-OLZOCXBDSA-N 288.796 2.558 0 30 CFAC Cn1ncc(SCc2ccccc2)c(Cl)c1=O 92931 LDLZNXFFBZWAJA-UHFFFAOYSA-N 266.753 2.726 0 30 CFAC CC(=O)c1ccc(NC(=O)O[C@@H]2CCSC2)cc1 142143 LLKMTGONJQRHFA-GFCCVEGCSA-N 265.334 2.943 0 30 CFAC COC[C@@H](C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 171598 RFCKCNDROWSTTF-LLVKDONJSA-N 260.337 2.549 0 30 CFAC CC(=O)N/C(=C\c1sc2ccccc2c1C)C(=O)O 4394945 NXXVZLSONBJDIW-XFFZJAGNSA-N 275.329 2.771 0 30 CFAC O=C1CCC[C@@]1(CCN1CCOCC1)C1=CCCC1 38600697 KUOYUNPLUMKQIF-MRXNPFEDSA-N 263.381 2.558 0 30 CFAC in-man Clc1cnc2c(I)c[nH]c2c1 44712908 YHHSLJIBVDEWPX-UHFFFAOYSA-N 278.480 2.821 0 30 CFAC in-vitro Oc1n[nH]c2c(Br)cc(Br)cc12 100090971 STLIXIZHCMYSMW-UHFFFAOYSA-N 291.930 2.794 0 30 CFAC O=C(Nc1ccc2[nH]nnc2c1)c1cccc(Cl)c1 67974 OOIBXWYQCWYDIW-UHFFFAOYSA-N 272.695 2.864 0 30 CFAC COc1cc(NC(=O)c2ccccc2)c(N)cc1C 95829404 KAVWVBYOIOLTTL-UHFFFAOYSA-N 256.305 2.838 0 30 CFAC COc1cc(Br)c(C(C)=O)c(OC)c1 87123904 MLWMXAPTHOLHOE-UHFFFAOYSA-N 259.099 2.669 0 30 CFAC CC[C@H](CCC(C)=O)COC(=O)CCCCC(=O)O 5925568 XLMWFRRVVDGMRV-GFCCVEGCSA-N 272.341 2.570 0 30 CFAC Cc1cc(O)c(C=NNc2ccc(Cl)cc2)c(=O)o1 13122608 WESUYTAMNDDMTJ-UHFFFAOYSA-N 278.695 2.753 0 30 CFAC aggregator O=C(O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)[nH]1 536558848 RBGKVMXLZHEJFR-UHFFFAOYSA-N 267.187 2.701 0 30 CFAC Cc1nnsc1C(=O)Nc1ccc(-c2cnco2)cc1 106280 CVRLDMGQCKWDAX-UHFFFAOYSA-N 286.316 2.754 0 30 CFAC Cc1cc(C)n(-c2cc(-c3ccccc3)nc3ncnn23)n1 154499 INXMOVBBPDPHOJ-UHFFFAOYSA-N 290.330 2.594 0 30 CFAC C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1O 33506193 PNYKSCBMMRTDJD-JTQLQIEISA-N 270.284 2.811 0 30 CFAC NC[C@H]1c2ccccc2CCN1Cc1ccccc1 19929504 RZFAFCKRZOXRGI-KRWDZBQOSA-N 252.361 2.745 0 30 CFAC CC[C@H](NC(C)C)C(=O)c1ccc(OC)c(OC)c1 33607766 GFERGFJYQBZYHH-LBPRGKRZSA-N 265.353 2.663 0 30 CFAC FC(F)(F)[C@@H]1CCCN(c2cc(Cl)ncn2)C1 88434879 CCKQCZLRXJOLJR-SSDOTTSWSA-N 265.666 2.909 0 30 CFAC OC(c1ccc2[nH]ncc2c1)(C(F)(F)F)C(F)(F)F 95616810 UCGZFEFSNULYRF-UHFFFAOYSA-N 284.159 2.875 0 30 CFAC CCOC(=O)c1cnc(Br)c(Cl)c1 47202990 CETMVCYINNFPOF-UHFFFAOYSA-N 264.506 2.674 0 30 CFAC CSc1nc(N)nc(CSc2ccc(C)cc2)n1 126697 FDGCMHIKSBOHCE-UHFFFAOYSA-N 278.406 2.776 0 30 CFAC O=c1ccnc(Nc2cccc(C(F)(F)F)c2)[nH]1 1281335 CPEJAAQYFUKMBX-UHFFFAOYSA-N 255.199 2.532 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2CCC(=O)C[C@H]21 91353369 MKDLRIZGEHJSRV-ZYHUDNBSSA-N 253.342 2.755 0 30 CFAC CC(C)[C@H]1OCCC[C@H]1Nc1cc(Cl)ncn1 98113870 OMXGZMIVUXENNK-BXKDBHETSA-N 255.749 2.746 0 30 CFAC CC(=O)Nc1ccc(Oc2cncc(Cl)c2)nc1 93170 NDVWJZWMKPEUHP-UHFFFAOYSA-N 263.684 2.881 0 30 CFAC COC(=O)c1cccc2[nH]cc(Br)c12 40442655 TWYKESDETFBOPQ-UHFFFAOYSA-N 254.083 2.717 0 30 CFAC NC1=N[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N1 154899 JDIPIUIHXUDIOV-KGLIPLIRSA-N 299.761 2.551 0 30 CFAC CC[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)O)C1 39941376 RJSJUEQSXQQTJU-OCCSQVGLSA-N 291.347 2.898 0 30 CFAC C[C@@H](CCCO)NCc1ccccc1Br 87358753 YAEZODVAMLHGIH-JTQLQIEISA-N 272.186 2.700 0 30 CFAC CC(=O)N1CCc2cc(Br)c(C)cc21 34486690 BLQUNVUPRIQGSR-UHFFFAOYSA-N 254.127 2.667 0 30 CFAC Nc1ncnc(SCc2c(F)cccc2Cl)n1 164681 ZNIBJQFCYOEZJF-UHFFFAOYSA-N 270.720 2.539 0 30 CFAC CCOC(=O)CSC(=S)N[C@@H](C)c1ccccc1 3131780 SRZCANULMWSFMN-JTQLQIEISA-N 283.418 2.918 0 30 CFAC Cc1cc(-c2noc([C@@H]3CCCCN3)n2)ccc1F 37734553 MXGPPLYRPQDMOY-LBPRGKRZSA-N 261.300 2.999 0 30 CFAC CC(C)(C)C(=O)Nc1ccc(C#N)c(Br)n1 390678424 WMBUKEPXDBKMHI-UHFFFAOYSA-N 282.141 2.700 0 30 CFAC O=C[C@H](OC(=O)C(Cl)(Cl)Cl)c1ccccc1 60307905 GSWLFBVUQNAZTE-QMMMGPOBSA-N 281.522 2.840 0 30 CFAC NS(=O)(=O)Cc1ccc(C2CCCCC2)cc1 584880074 GMQYSNBQTNPLPQ-UHFFFAOYSA-N 253.367 2.523 0 30 CFAC C[Si](C)(C)CCOCn1ncc2c(N)cccc21 204572996 VAAFLGXLLLTFPB-UHFFFAOYSA-N 263.417 2.931 0 30 CFAC N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1F 205852554 VETUDDLKHANBAF-DOTOQJQBSA-N 270.351 2.752 0 30 CFAC CC(C)OC(=O)C[C@H](CC(=O)O)c1ccccc1 39117844 GUFHYTPYSRPZCE-LBPRGKRZSA-N 250.294 2.587 0 30 CFAC Cc1nn(C(C)C)c(C)c1I 86788272 YCFPJYBILAWSCS-UHFFFAOYSA-N 264.110 2.685 0 30 CFAC O=C(NC[C@@H](O)c1ccccc1)Nc1ccccc1 152391 ZOPSYPWARNMIAP-CQSZACIVSA-N 256.305 2.542 0 30 CFAC COC(=O)c1cc(Cl)c(Br)s1 261157735 VLVUUBLIWLTTFA-UHFFFAOYSA-N 255.520 2.951 0 30 CFAC CC(C)NC(=O)Nc1n[nH]c(Nc2ccc(Cl)cc2)n1 13658444 SJVYXOJAIJFAGP-UHFFFAOYSA-N 294.746 2.732 0 30 CFAC CC[C@](C#N)(C(=O)O)c1c(F)c(F)c(F)c(F)c1F 96329100 CQAYPONNLVVJEF-LLVKDONJSA-N 279.164 2.638 0 30 CFAC Sc1nnc(CSCCOc2ccccc2)o1 15919727 HVKUSVHBPOMZMT-UHFFFAOYSA-N 268.363 2.671 0 30 CFAC O=C(NC[C@H](O)c1ccccc1)Nc1ccccc1 152396 ZOPSYPWARNMIAP-AWEZNQCLSA-N 256.305 2.542 0 30 CFAC O=P(Oc1ccccc1)(n1ccnc1)n1ccnc1 2560513 CZOCTOSLXDLZLW-UHFFFAOYSA-N 274.220 2.663 0 30 CFAC O=Cc1cc(C(F)(F)F)cc(Br)n1 95642396 IWPWDTDZEBKCAJ-UHFFFAOYSA-N 254.005 2.675 0 30 CFAC Brc1cncnc1Oc1ccc2c(c1)OCO2 90782908 FITOXBITJRHBHO-UHFFFAOYSA-N 295.092 2.760 0 30 CFAC CC(C)(C)OC(=O)N1[C@H](CN)C[C@@H]2CCCC[C@@H]21 142699985 ZSKVTOXSWYUSIE-SRVKXCTJSA-N 254.374 2.513 0 30 CFAC CC[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C(=O)O)C1 39941377 RJSJUEQSXQQTJU-JSGCOSHPSA-N 291.347 2.898 0 30 CFAC CCOC(=O)[C@@H]1C(=O)OC2=C(CCCC2)C1(C)C 38652042 AVEWKITZFFDLLF-LLVKDONJSA-N 252.310 2.577 0 30 CFAC Ic1nnc(-c2ccccc2)s1 71051993 IFVKWGPPUVZVRY-UHFFFAOYSA-N 288.113 2.810 0 30 CFAC CNc1c(Cl)cc(C(=O)NC2CC2)cc1Cl 2001175 YYVJXCMEJLMKHX-UHFFFAOYSA-N 259.136 2.927 0 30 CFAC C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C(=O)C1CC1 216085741 IMYFCLLEKFFDDC-LSKLOWJMSA-N 285.387 2.853 0 30 CFAC Brc1ccc(C2=NOC3(CCNCC3)C2)cc1 1081011467 JYWMXWXZRIGICZ-UHFFFAOYSA-N 295.180 2.696 0 30 CFAC O=C(Nc1ccccc1)Nc1ccc2[nH]nnc2c1 31319359 POZVYOVYIZCFLB-UHFFFAOYSA-N 253.265 2.602 0 30 CFAC O=C1CC[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N1 38634232 PEVMOWGDBVQWCM-HNNXBMFYSA-N 295.338 2.598 0 30 CFAC CCc1cccc(C)c1N(C(C)=O)C1=NCCC(=O)S1 90411 PGWKNZMIZXIZQT-UHFFFAOYSA-N 290.388 2.930 0 30 CFAC O=C(c1ccccc1)N1CCC(n2cccc2)CC1 170429 WCCRRIQFIHVKFA-UHFFFAOYSA-N 254.333 2.965 0 30 CFAC O=C(NCc1ccsc1)c1ccc2c(c1)CCO2 146721 BEFBXMAKLZPKLZ-UHFFFAOYSA-N 259.330 2.613 0 30 CFAC CN(Cc1ccccc1CN)C(=O)OC(C)(C)C 37757423 PDVNJUSGJBBXAH-UHFFFAOYSA-N 250.342 2.512 0 30 CFAC CC(C)(C)OC(=O)N1CCNC[C@@H]1CCc1ccccc1 95752789 TWQTXPBZVUFRKT-HNNXBMFYSA-N 290.407 2.828 0 30 CFAC CC[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 134771 DNCXJSZVBINICS-ZDUSSCGKSA-N 267.394 2.806 0 30 CFAC O[C@@H](CC(O)(C(F)(F)F)C(F)(F)F)c1ccco1 2020308 GTTCBZHGVSTRQO-YFKPBYRVSA-N 278.148 2.559 0 30 CFAC COC(=O)[C@@H](Br)c1cc(F)cc(F)c1 115268278 NJNOIMBODCNIGL-QMMMGPOBSA-N 265.053 2.574 0 30 CFAC CN(C)P(c1cccc(Br)c1)N(C)C 196301570 YBPFKSLZDWTIPI-UHFFFAOYSA-N 275.130 2.510 0 30 CFAC COC(=O)c1cc2cncc(Br)c2s1 616568877 DXBLCEKGOLBYBO-UHFFFAOYSA-N 272.123 2.845 0 30 CFAC O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccccn1 2265340031 KDPXTORXIBWFOA-WTHWONHRSA-N 256.349 2.780 0 30 CFAC C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](N)c1ccccc1 19483090 DRRDGSPXILWLQL-BPLDGKMQSA-N 260.381 2.771 0 30 CFAC CCCOC(=O)CNC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 38613774 NOHWSHIQJRPKOC-BFHYXJOUSA-N 283.412 2.764 0 30 CFAC CN(C)C(=O)Sc1cnn(-c2ccccc2F)c1 71373282 HBCJGVGDHFKURT-UHFFFAOYSA-N 265.313 2.785 0 30 CFAC Cc1ccc(-c2cc(Cc3ccncc3)c(=O)[nH]n2)cc1 13657770 XLCUTWMTFJAPKV-UHFFFAOYSA-N 277.327 2.731 0 30 CFAC Cc1c(C(=N)NO)oc2ccc(Br)cc12 38817392 IFIXIGVSBYNGFO-UHFFFAOYSA-N 269.098 2.808 0 30 CFAC CC(=O)[C@]1(C)CC(=O)[C@@](C)(SCc2ccco2)O1 5167048 GQCBHHWLIWZIIT-QWHCGFSZSA-N 268.334 2.566 0 30 CFAC C[C@H]1CC(=O)Nc2cccc(Br)c2N1 215116416 PKBGRARKNVLDTQ-LURJTMIESA-N 255.115 2.592 0 30 CFAC Cc1ccc(S(=O)(=O)NCc2sccc2C)cc1 147832 XPOHPMLOPUHBNL-UHFFFAOYSA-N 281.402 2.843 0 30 CFAC CN(C)C(=O)C(Oc1ccccc1)Oc1ccccc1 2004486 VAJOAIANUZSWJO-UHFFFAOYSA-N 271.316 2.559 0 30 CFAC c1ccc(N2CCN([C@H]3COc4ccccc4C3)CC2)cc1 33885811 GVDKPJIEHKCNNK-GOSISDBHSA-N 294.398 2.812 0 30 CFAC CSC(SC)=C(C(=O)OC(C)C)C(=O)OC(C)C 5760674 SWRPUUSMRNKBFN-UHFFFAOYSA-N 292.422 2.827 0 30 CFAC c1ccc([C@H](OC2CCNCC2)c2ccccn2)cc1 34448495 UOMXVQXBKNHNGB-KRWDZBQOSA-N 268.360 2.940 0 30 CFAC Clc1ccc(-c2nc(-c3cnccn3)no2)cc1 149119 SYWQQHUTPGARIZ-UHFFFAOYSA-N 258.668 2.847 0 30 CFAC C[C@@H](CO)N(C(=O)CF)c1cccc2ccccc12 2030938 LGFOVPIHNNPMNF-NSHDSACASA-N 261.296 2.523 0 30 CFAC O=C(O)[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 43465292 PJCYOIRQRFXQRP-QMMMGPOBSA-N 288.143 2.540 0 30 CFAC O=C(O)c1cc2ccccc2n1Cc1ccncc1 20074716 IYJTYOSXCYDMCJ-UHFFFAOYSA-N 252.273 2.783 0 30 CFAC CC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 171631 DRWWOCGXFKOVAK-UHFFFAOYSA-N 289.766 2.557 0 30 CFAC CN(C)[C@@H]1CCc2cc(Br)ccc2NC1 521399148 VSPBUBMCKSGMHF-LLVKDONJSA-N 269.186 2.737 0 30 CFAC C[Si](C)(C)c1ccc(-c2ccc(CO)cn2)cc1 197176771 LAKVIRUMBUHZSR-UHFFFAOYSA-N 257.409 2.786 0 30 CFAC Nc1cc(NC(=O)c2ccccc2O)ccc1Cl 73025 YWYXXXCBIQVHIE-UHFFFAOYSA-N 262.696 2.880 0 30 CFAC CCOC(=O)c1cn2c(-c3ccncc3)csc2n1 9238632 MZPIVRBUGYWCOW-UHFFFAOYSA-N 273.317 2.635 0 30 CFAC COc1ccc(CONC(=O)OC(C)(C)C)cc1 116854765 KHWKNPWCIFIYOC-UHFFFAOYSA-N 253.298 2.652 0 30 CFAC CC(C)CC(=O)NNc1ccc(Br)cc1 1854789 UCGFWLWQVLRSCI-UHFFFAOYSA-N 271.158 2.938 0 30 CFAC CCOC(=O)c1c(S)nc2cc(F)c(F)cc2c1O 2583909 KASDVUHOUFJQJI-UHFFFAOYSA-N 285.271 2.684 0 30 CFAC COC(=O)CC[C@H](Nc1ccccc1)C(F)(F)F 21981646 HVIBSBGRTVOBOR-JTQLQIEISA-N 261.243 2.983 0 30 CFAC COc1ccc(CN[C@@H](CCO)c2ccco2)cc1 95882030 AADRUNVXDNEIHW-AWEZNQCLSA-N 261.321 2.502 0 30 CFAC Cc1cccc2c1NC(=O)[C@@H](c1ccccc1)C2=O 100400349 ZSQXNQHIHCQHRI-ZDUSSCGKSA-N 251.285 2.914 0 30 CFAC O=C(Nc1cccc(OC(F)F)c1)c1ccncc1 2003268 IPZBNWSQQJINHG-UHFFFAOYSA-N 264.231 2.935 0 30 CFAC OC(c1ccc2c(c1)CCN2)(C(F)(F)F)C(F)(F)F 34189563 HFUHSSOXARPMKG-UHFFFAOYSA-N 285.187 2.967 0 30 CFAC COc1ncccc1C(=O)Nc1ccc(F)cc1F 96111 QHGGJKMIACXOGJ-UHFFFAOYSA-N 264.231 2.621 0 30 CFAC O[C@@]1(c2ccccc2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C(F)(F)[C@H]2[C@H]4[C@@H]3[C@H]21 252428743 YEEPAVCGRNCSTQ-AVCYFUTBSA-N 274.310 2.897 0 30 CFAC S=C1NCN([C@H](Cc2ccccc2)c2ccccc2)CN1 20444300 VHTUUHBKUWRLHR-MRXNPFEDSA-N 297.427 2.665 0 30 CFAC Cc1cc(C)c(NC(=O)c2ccncc2N)c(C)c1 2524954 ZBWWOESLYGPBRC-UHFFFAOYSA-N 255.321 2.841 0 30 CFAC Cc1ncc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1N 863701234 GCDPZAMHLXXYNS-UHFFFAOYSA-N 289.379 2.996 0 30 CFAC Cc1cc(/C=C2\N=COC2=O)ccc1C(F)(F)F 101631 JOIXZCPLGZAGST-YHYXMXQVSA-N 255.195 2.940 0 30 CFAC Cc1coc2c1[C@H]1C=C(CC[C@H]3O[C@]3(C)C2)C(=O)O1 13456526 NJMLHRWYACXVHJ-IXPVHAAZSA-N 260.289 2.606 0 30 CFAC O=C1CCN=C(Nc2ccc(F)c(Cl)c2)S1 90440 UYTGZTOQGYFDJH-UHFFFAOYSA-N 258.705 2.911 0 30 CFAC CCCC[C@@]1(Cl)C(=O)Nc2ccccc2C1=O 39124005 MQSQGRNCCGHFLM-ZDUSSCGKSA-N 251.713 2.989 0 30 CFAC Cc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 67806 KVNBQXNFUHAKMY-LLVKDONJSA-N 278.739 2.537 0 30 CFAC C[C@@H](c1cccc(I)c1)[C@@H](C)N 33868233 OJVNHUSKBDNLFH-HTQZYQBOSA-N 275.133 2.742 0 30 CFAC Cc1ccc(-n2nc(-c3ccccc3)cc2O)nc1 1857792224 TVAGRGPFSUFXCR-UHFFFAOYSA-N 251.289 2.948 0 30 CFAC CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccccc1 163206 GEKSXCGZMRSDHW-AWEZNQCLSA-N 288.347 2.562 0 30 CFAC CCCC[C@](CC)(NC(=O)OC(C)(C)C)C(=O)O 69550319 OLQGAAOIXLBCCT-ZDUSSCGKSA-N 259.346 2.935 0 30 CFAC CCOC(=O)CSC(=S)Nc1ccc(OC)cc1 3131783 SUKTWNPARVKLKB-UHFFFAOYSA-N 285.390 2.688 0 30 CFAC COc1ccc2c(c1)O[C@]1(O[C@H]1c1ccccc1)C2=O 32267284 XQNZZUOCNPCTPY-HOTGVXAUSA-N 268.268 2.738 0 30 CFAC CCN1CCc2cc(Br)cc(F)c2C1 342300806 ZYLFZNBOMLJCDZ-UHFFFAOYSA-N 258.134 2.966 0 30 CFAC Cc1c(CO)ccc2c1CCN(C(=O)OC(C)(C)C)C2 150256834 SNPBRNPRIAYONE-UHFFFAOYSA-N 277.364 2.781 0 30 CFAC Cc1cc(Cl)c(O)cc1I 49587133 GEVKVRLYQLACAZ-UHFFFAOYSA-N 268.481 2.959 0 30 CFAC Cc1ccccc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)O 45821256 UGZGKQMTRPOJHW-UHFFFAOYSA-N 294.314 2.728 0 30 CFAC COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2 13644798 PRQICMQRAXJOCP-DGAVXFQQSA-N 279.767 2.737 0 30 CFAC Cc1ccc2nc(C)c(C(=O)NCc3ccccc3)n2c1 71476671 UNFWJMCXWCQDOF-UHFFFAOYSA-N 279.343 2.881 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H](C2CCNCC2)C1 96946820 WSJZMYHXQJRAED-CYBMUJFWSA-N 268.401 2.633 0 30 CFAC CN(C)[C@H]1CCc2cc(Br)ccc2NC1 521399152 VSPBUBMCKSGMHF-NSHDSACASA-N 269.186 2.737 0 30 CFAC CC(C)(N)c1ccc(C(=O)Nc2ccncc2)cc1 34569842 UOOTTYGTUGJABE-UHFFFAOYSA-N 255.321 2.528 0 30 CFAC CC(C)CCOc1ccc(C(=S)NCCN(C)C)cc1 3623966 QUIRDEULFPWHHI-UHFFFAOYSA-N 294.464 2.938 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@H](O)[C@@H]2C1 238110087 ISCNQMDGGSOEQD-MCIONIFRSA-N 275.348 2.684 0 30 CFAC Cc1nc(C(F)(F)F)ccc1C(=O)N1CCSCC1 66398 YNLGILUNDCXOBC-UHFFFAOYSA-N 290.310 2.598 0 30 CFAC O=C(Nc1ccc2[nH]ccc2c1)c1ccc2nonc2c1 155941 INQJLNGRNLTVPW-UHFFFAOYSA-N 278.271 2.956 0 30 CFAC CC1=CC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O 37383411 IWWJSSPLWVZEIH-UHFFFAOYSA-N 255.195 2.525 0 30 CFAC C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 173474 LNPDNDIGGRBFTO-SWLSCSKDSA-N 255.317 2.539 0 30 CFAC CCCC[C@@H](C)OC(=O)C[C@H](C)NC(=O)C(F)(F)F 32221949 FHDWVJQWYXIEGU-DTWKUNHWSA-N 283.290 2.565 0 30 CFAC O=C(O)c1[nH]c(Cl)c(Cl)c1Br 217745022 DXIGMRVMUHCKJH-UHFFFAOYSA-N 258.886 2.782 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1[C@@H]2C(F)(F)F 306590240 UZKCQCJKIGOIRS-RNJXMRFFSA-N 251.248 2.804 0 30 CFAC CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1cccs1 79827 FTGIBPDOJNLTMC-LLVKDONJSA-N 296.417 2.949 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H](C2(C(=O)O)CCC2)C1 687732800 JKQLOAXJCFOXGH-NSHDSACASA-N 283.368 2.888 0 30 CFAC Fc1c(F)c(F)c(CSc2ncn[nH]2)c(F)c1F 6198608 ACDBBWARUXSFSU-UHFFFAOYSA-N 281.209 2.793 0 30 CFAC FC(F)(F)c1cc(Cl)cc(N2CCNCC2)c1 142998235 DDWYBHPNFVYDDC-UHFFFAOYSA-N 264.678 2.768 0 30 CFAC O=c1cc(O)c2c(n1-c1ccccc1)CCCCC2 173553 MDMGUJZFVVZGKJ-UHFFFAOYSA-N 255.317 2.812 0 30 CFAC CCOC(=O)c1sc(OC)nc1-c1ccccc1 196605256 PXSFZVSQZLCDDX-UHFFFAOYSA-N 263.318 2.995 0 30 CFAC CC(=O)[C@]1(C)CC(=O)[C@](C)(SCc2ccco2)O1 5167051 GQCBHHWLIWZIIT-STQMWFEESA-N 268.334 2.566 0 30 CFAC CC(=O)C(Sc1nc2ccccc2s1)C(C)=O 85468918 JLQXGEOSIHYKNN-UHFFFAOYSA-N 265.359 2.935 0 30 CFAC C[C@H]1CCc2c(c(SCC(N)=O)nc3ccccc23)C1 1325311 BFZWEJAZTKTFEF-JTQLQIEISA-N 286.400 2.937 0 30 CFAC c1ccc([C@]23OC[C@H](Cn4c2nc2ccccc24)O3)cc1 1846290 LCXASZQUGJCXBG-SUMWQHHRSA-N 278.311 2.666 0 30 CFAC in-man COc1ccccc1[C@@H](N)[C@@H](C)NC(=O)OC(C)(C)C 407060440 GUFIHQIUXBCALK-MFKMUULPSA-N 280.368 2.608 0 30 CFAC CCCC(=O)O[C@H](C)Cc1ccc(C(=O)O)cc1 39117849 BHPWDSDRNHHEOQ-SNVBAGLBSA-N 250.294 2.659 0 30 CFAC O=C(O)c1cnc(-c2ccc(Br)s2)nc1 70598048 VNZVRPJDKCJJEH-UHFFFAOYSA-N 285.122 2.666 0 30 CFAC C[C@H](O)CCn1cc(CN)c2ccc(Cl)cc21 122869537 FXTFFLXYJXKRAO-VIFPVBQESA-N 252.745 2.524 0 30 CFAC CCCn1cc2c(c1C)C(c1ccccc1)=NCC(=O)N2 33826756 XFVJGZGXAZOVRR-UHFFFAOYSA-N 281.359 2.996 0 30 CFAC COc1ccc(OCc2nc(C(C)=O)cs2)cc1 122631 HCDFRGJCANGHJQ-UHFFFAOYSA-N 263.318 2.933 0 30 CFAC CSC(=S)N1Cc2[nH]c3ccccc3c2C[C@H]1CO 6019656 IFUFGCHZTXPRII-VIFPVBQESA-N 292.429 2.535 0 30 CFAC COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C 32236516 ZRXJDVGAMZQYJX-LBPRGKRZSA-N 262.305 2.881 0 30 CFAC O=C(O)c1nn(-c2ccc(Cl)cc2)c2c1CCC2 11802326 MSXZRDOCGJCRLQ-UHFFFAOYSA-N 262.696 2.713 0 30 CFAC CN1CCC(=O)C[C@@H]1c1ccc(Br)cc1 84170637 CTZAEZRDPPESQM-GFCCVEGCSA-N 268.154 2.785 0 30 CFAC O=C(NCc1cccs1)c1ccc2nccnc2c1 156495 ZZCPENMOMKGBMP-UHFFFAOYSA-N 269.329 2.621 0 30 CFAC COc1ccc(Br)c(NC2=NCCS2)c1 131458 JUQZYLFGWBTINF-UHFFFAOYSA-N 287.182 2.972 0 30 CFAC CCCNC(=O)Oc1noc2ccc(Cl)cc12 3135297 CYMNLFDTTFAWMF-UHFFFAOYSA-N 254.673 2.980 0 30 CFAC Nc1c(C(=O)O)sc2cc(C(F)(F)F)cnc12 36047238 BZAJHLSZWCEXGH-UHFFFAOYSA-N 262.212 2.596 0 30 CFAC CC[C@H](CO)N[C@@H](C)c1ccccc1Br 20195081 BTQDVWIEXHFBCH-VHSXEESVSA-N 272.186 2.871 0 30 CFAC O=C(NCc1ccc2c(c1)CCO2)c1cccs1 113557 KHPGSFSTNGGSQJ-UHFFFAOYSA-N 259.330 2.613 0 30 CFAC O=C1CSCc2ccc(Br)cc2N1 2265384599 YEAZRFGPFQCUPS-UHFFFAOYSA-N 258.140 2.634 0 30 CFAC Cc1ccc(CNC(=O)Nc2ccc(F)cc2F)n1C 157973 IWNPXZQWDIVHSS-UHFFFAOYSA-N 279.290 2.933 0 30 CFAC NC(=O)c1cccc2cccc(I)c12 173179 VGGZDUWMBWIKKW-UHFFFAOYSA-N 297.095 2.543 0 30 CFAC CCOC(=O)c1csc(COc2ccc(OC)cc2)n1 120812 NVCLYHADLREICY-UHFFFAOYSA-N 293.344 2.907 0 30 CFAC CCN(CC)CCNC(=N)c1ccc(OC(C)C)cc1 2032159 RHKAJQAIEVKRTO-UHFFFAOYSA-N 277.412 2.731 0 30 CFAC Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1N 70484810 JNFHRXPHWOMUCF-UHFFFAOYSA-N 280.324 2.517 0 30 CFAC in-vitro Ic1ccn(Cc2ccccc2)n1 84193427 MOWNQEYFXDLQQA-UHFFFAOYSA-N 284.100 2.536 0 30 CFAC in-vitro O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cccnc1 2265340020 OHZXNEWKZYPAFC-WTHWONHRSA-N 256.349 2.780 0 30 CFAC CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)CCC2 2265384633 CAEBYRKEMSJYCL-UHFFFAOYSA-N 278.352 2.601 0 30 CFAC Cc1cc(C)c2c(=O)n(C(=O)c3cccs3)sc2n1 160448 SRHVPBZHRXZPOR-UHFFFAOYSA-N 290.369 2.825 0 30 CFAC O=c1[nH]c(-c2ccccc2)nn1-c1ccc(Cl)cc1 15444185 AFCCNLDEFAEYNI-UHFFFAOYSA-N 271.707 2.881 0 30 CFAC CCCCNC(=O)Nc1nnc(C(C)(C)C)s1 3120012 RMLNDBLRPNRQOF-UHFFFAOYSA-N 256.375 2.757 0 30 CFAC CCOCCOCCN(CC)c1cccc(NC(C)=O)c1 5139594 BKGDSUKTWCDLGU-UHFFFAOYSA-N 294.395 2.524 0 30 CFAC O=c1c2c[nH]c3ccccc3c-2nn1-c1ccccc1 100660380 WRHJCJHWJSQAHY-UHFFFAOYSA-N 261.284 2.819 0 30 CFAC O=C1CS[C@H](c2ccncc2)N1Cc1ccc(F)cc1 103905 GBIIXXDYBMEATJ-OAHLLOKOSA-N 288.347 2.995 0 30 CFAC FC(F)(F)c1nc2ccc(Br)cn2n1 95761047 AVENQCVJWDWULB-UHFFFAOYSA-N 266.020 2.511 0 30 CFAC CC(C)(C)S(=O)(=O)C(C#N)=NNc1ccc(Cl)cc1 254583783 VLCPUAZUQXIQNA-UHFFFAOYSA-N 299.783 2.802 0 30 CFAC O=C(O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 89065448 FTWOJOXFIDZHRY-UHFFFAOYSA-N 260.211 2.993 0 30 CFAC FC(F)(F)c1nc(Br)c2cnccn12 218557422 XXIMEHFRTDLWCH-UHFFFAOYSA-N 266.020 2.511 0 30 CFAC CN(C)C=C1CCN(c2ccc(C(F)(F)F)cc2)C1=O 8663822 XVJOCEVSSOIDGY-UHFFFAOYSA-N 284.281 2.888 0 30 CFAC COc1ccccc1O[C@]1(C)OC(=O)c2ccccc2O1 3877 PSVDIHULUCLEJE-MRXNPFEDSA-N 286.283 2.997 0 30 CFAC world c1ccc(Oc2ccc([C@@H]3CNCCN3)cc2)cc1 71575824 NASNNRDIVCZETE-INIZCTEOSA-N 254.333 2.713 0 30 CFAC Cn1cc(-c2nnc(-c3cc4c(s3)CCC4)o2)ccc1=O 48314465 VVEWOUWNTRWRPB-UHFFFAOYSA-N 299.355 2.653 0 30 CFAC O=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccco1 254749355 PVRQSNDSRDWJHP-UHFFFAOYSA-N 276.679 2.783 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H](C2(C(=O)O)CCC2)C1 687732799 JKQLOAXJCFOXGH-LLVKDONJSA-N 283.368 2.888 0 30 CFAC CCN(CC)CC(=O)C(O)(c1ccccc1)c1ccccc1 3613449 FNWWXWCEDCFQNE-UHFFFAOYSA-N 297.398 2.833 0 30 CFAC CC(=O)N(C(=O)c1ccccc1)c1ccc(O)cc1 33608463 DVBKBLSNTKQOIE-UHFFFAOYSA-N 255.273 2.586 0 30 CFAC O=C1CS[C@H](c2cccnc2)N1Cc1ccc(F)cc1 103900 CYXIJQSXLATVAI-OAHLLOKOSA-N 288.347 2.995 0 30 CFAC CNC(=O)Oc1cc(C)c(N(C)C)cc1C(C)C 96334690 NUNWGUCGJMPDIN-UHFFFAOYSA-N 250.342 2.903 0 30 CFAC CCOC(=O)c1ncc2cc(Br)ccc2n1 261337097 CWRFEDDOWCYTDT-UHFFFAOYSA-N 281.109 2.569 0 30 CFAC Fc1c(Br)ccc(C=C2CNC2)c1F 701298930 INXHCGMNEJXUHF-UHFFFAOYSA-N 260.081 2.714 0 30 CFAC Cc1cc(N)ccc1C(O)(C(F)(F)F)C(F)(F)F 95616785 OVLHTNUPVPBFPJ-UHFFFAOYSA-N 273.176 2.889 0 30 CFAC O=C1CN(c2ccccc2)C(Nc2ccccc2)=N1 22000894 DDFRYCQVSCPOQV-UHFFFAOYSA-N 251.289 2.501 0 30 CFAC CC[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C(=O)O)C1 39941378 RJSJUEQSXQQTJU-TZMCWYRMSA-N 291.347 2.898 0 30 CFAC Nc1cc(Br)cc(C(F)(F)F)c1O 307560164 PUCHONQUBSIGND-UHFFFAOYSA-N 256.021 2.756 0 30 CFAC COC(=O)c1cccc(NC(=O)NCc2ccccc2)c1 170821 UQLVRHKZZDNPBL-UHFFFAOYSA-N 284.315 2.795 0 30 CFAC CC(=O)O[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1OC(C)=O 256166828 CYCAUWWXYWATRT-JHJVBQTASA-N 256.342 2.696 0 30 CFAC COc1ccc(CNC(=O)c2ccc(Cl)nc2)cc1 3517677 WNJQBTUWKDQACJ-UHFFFAOYSA-N 276.723 2.674 0 30 CFAC Cc1ccc(-c2cc(Cc3ccccn3)c(=O)[nH]n2)cc1 13657768 GKGWXHAPCTUVGT-UHFFFAOYSA-N 277.327 2.731 0 30 CFAC FC(F)(F)c1nc(Br)c(Br)[nH]1 32273172 ZIQQYRYCVXRBPE-UHFFFAOYSA-N 293.868 2.954 0 30 CFAC C[C@H](Oc1ccccc1Cl)C(=O)C=CN(C)C 34259641 PVYUPSAWIDEYPA-JTQLQIEISA-N 253.729 2.752 0 30 CFAC O=C(O)[C@H]1C[C@@H]1c1ccc(Br)c(F)c1 72233170 UGCIWWFJQQRKOR-RQJHMYQMSA-N 259.074 2.776 0 30 CFAC FC(F)CNc1ccccc1I 37755845 LRAAPJIFUOQPIV-UHFFFAOYSA-N 283.059 2.968 0 30 CFAC Cc1cc(=O)n(-c2ccc(-c3ccc(N)cc3)cc2)[nH]1 95934564 AAPDYZOONXGADR-UHFFFAOYSA-N 265.316 2.723 0 30 CFAC NC(=O)c1cccc(CC(=O)c2ccc(Cl)cc2)c1 161873 KIWZCXOLTDWTPK-UHFFFAOYSA-N 273.719 2.864 0 30 CFAC CC(=O)CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 238095730 KZKYSBGFAXFTBU-LLVKDONJSA-N 287.356 2.504 0 30 CFAC COc1cccc(N2CC(=O)Nc3ccccc32)c1 259439646 VBMIBHAFQBMWRV-UHFFFAOYSA-N 254.289 2.785 0 30 CFAC C/C=C/C(=O)Nc1cccc(OC(=O)NC(C)C)c1 1756274 JFGQTRRCWGNSKV-GQCTYLIASA-N 262.309 2.698 0 30 CFAC O=C(c1ccc(Br)s1)[C@H]1CCOC1 40941890 HNAKQTPZYWWOGC-LURJTMIESA-N 261.140 2.730 0 30 CFAC C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2C1 102926258 KPXMWMXKALDJRT-ICCXJUOJSA-N 261.296 2.751 0 30 CFAC O=C(O)[C@@H]1C[C@H]1c1c(F)cccc1Br 306788326 RSQDENVDTJSTMO-PHDIDXHHSA-N 259.074 2.776 0 30 CFAC CCOC(=O)c1nc2cc(C(F)(F)F)ccc2[nH]1 89065343 ZECWNQFHVWKQMT-UHFFFAOYSA-N 258.199 2.758 0 30 CFAC Clc1ncc(Cn2cc(Br)cn2)s1 86777075 LPIDRJGAMAKMTA-UHFFFAOYSA-N 278.562 2.804 0 30 CFAC C=C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 100507001 WPUIZWXOSDVQJU-ZSHCYNCHSA-N 271.360 2.868 0 30 CFAC in-vitro CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2)c(O)n1 13469620 DTKVDQMCEDFRGA-UHFFFAOYSA-N 293.710 2.895 0 30 CFAC CN(C)/C=C/C(=N)SCc1cc(F)cc2c1OCOC2 20421230 JHJUESWQFIXRQL-CUQIWSDWSA-N 296.367 2.978 0 30 CFAC CCOC(=O)c1c(-c2ccc(C)cn2)csc1N 66194 MWZRONMSADSEKO-UHFFFAOYSA-N 262.334 2.877 0 30 CFAC CC(C)(C)OC(=O)C1CCN(c2ccc(Cl)nn2)CC1 699707405 XCPHXAXXWUSEDU-UHFFFAOYSA-N 297.786 2.688 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 218954088 COGAVGGBUOCSBQ-TUAOUCFPSA-N 283.368 2.887 0 30 CFAC O=[P@@]1(CCO)Oc2ccccc2-c2ccccc21 197228882 QOACETVVECEGPO-SFHVURJKSA-N 260.229 2.642 0 30 CFAC COC(=O)c1ccccc1OCc1nc2ccccc2[nH]1 22000705 DUVTXUGBACWHBP-UHFFFAOYSA-N 282.299 2.929 0 30 CFAC O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccccn1 100565 ASGILQOCOUUZGB-AWEZNQCLSA-N 253.257 2.566 0 30 CFAC C[C@H](CCCO)NCc1ccccc1Br 87358754 YAEZODVAMLHGIH-SNVBAGLBSA-N 272.186 2.700 0 30 CFAC CC(C)[C@@H](O)C(=O)C[C@@H](C)CCC(=O)c1ccoc1 1557677 HCPDJZNVPUCXHZ-XHDPSFHLSA-N 266.337 2.855 0 30 CFAC endogenous,in-man Cc1onc(-c2ccccc2)c1C(=O)N=S(C)(C)=O 125410 BOXZTAKBLOYJRH-UHFFFAOYSA-N 278.333 2.518 0 30 CFAC O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCNC1 19410625 YQKBUAMDLNVLOZ-SECBINFHSA-N 288.269 2.523 0 30 CFAC O=[N+]([O-])c1cccc([N+](=O)[O-])c1-c1ccccc1O 196557033 BVJKJJKGMWWIOK-UHFFFAOYSA-N 260.205 2.876 0 30 CFAC CCCCCCOc1nsnc1-c1ccc[n+](C)c1 96347526 NLBRMIWFUVXSRS-UHFFFAOYSA-N 278.401 2.989 0 30 CFAC CC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 95938233 ZVNNLYYYJVVVHQ-UHFFFAOYSA-N 272.392 2.521 0 30 CFAC C[C@@H](Oc1ccccc1Cl)C(=O)C=CN(C)C 34259643 PVYUPSAWIDEYPA-SNVBAGLBSA-N 253.729 2.752 0 30 CFAC COc1cccc(Br)c1CS(=O)(=O)Cl 258871037 OISAHVNOUOGYCX-UHFFFAOYSA-N 299.573 2.526 0 30 CFAC CC(C)(C)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1 13424422 ASEDNWCJVUADNB-UHFFFAOYSA-N 289.404 2.942 0 30 CFAC O=C(O[C@@H]1CN2CCC1CC2)c1ccc(Cl)cc1 135967 OBJXBGVRIMAFOI-CYBMUJFWSA-N 265.740 2.591 0 30 CFAC Oc1ccc(C[C@H]2COc3cc(O)ccc3C2)cc1 13327405 GXMQROMLTBPBKV-GFCCVEGCSA-N 256.301 2.892 0 30 CFAC biogenic,in-vitro O=C(Nc1ccc(F)cc1F)C(=S)NCc1ccco1 172874 VGQMVFRJHVHJOF-UHFFFAOYSA-N 296.298 2.614 0 30 CFAC CC(C)N(C[C@H](O)COc1cccc2ccccc12)N=O 5760257 TXYRHXNLIUKPMM-AWEZNQCLSA-N 288.347 2.971 0 30 CFAC Cc1nc(N)ccc1Oc1ccnc(-c2cnn(C)c2)c1 225790844 BVFFTRGSNWITGL-UHFFFAOYSA-N 281.319 2.560 0 30 CFAC CC(C)=CCC/C(C)=C/C(OC[C@@H](C)O)OC[C@@H](C)O 38647398 MAOZUHCHTZKVDC-IVBVFNMWSA-N 286.412 2.800 0 30 CFAC NCc1cnc(Cc2ccccc2Br)s1 55335755 CRLZYPSAOZDWSX-UHFFFAOYSA-N 283.194 2.955 0 30 CFAC COC(=O)Cc1ccc(Oc2ccc(C=O)o2)cc1 33878341 HVYOAAMXDAPPLF-UHFFFAOYSA-N 260.245 2.600 0 30 CFAC COc1ccc2ncc(C(=O)O)c(C(F)(F)F)c2c1 20286141 KGMCYGPOOGBRCA-UHFFFAOYSA-N 271.194 2.960 0 30 CFAC CC(C)(C)OC(=O)NCc1cnc(C(F)(F)F)nc1 95642749 RSJHLUVCSDHPPS-UHFFFAOYSA-N 277.246 2.520 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)Cc1ccccc1 6882727 VPUKBWPBMROHJH-ZDUSSCGKSA-N 293.363 2.987 0 30 CFAC CSc1nsc(SC)c1C(=O)NC(C)C 105826 DKHZSLUXSUYJMK-UHFFFAOYSA-N 262.425 2.725 0 30 CFAC Cc1ccc(C(=O)ON=Cc2c(C)nn(C)c2Cl)cc1 254737087 XVAFZGTXGANIAS-UHFFFAOYSA-N 291.738 2.881 0 30 CFAC COc1nc(C(=O)O)cc2ccc(Br)cc12 950757219 IDOFCDSQQOUDPN-UHFFFAOYSA-N 282.093 2.704 0 30 CFAC O[C@H]1CCCC[C@@H]1Nc1ccc(Br)cn1 52007089 KHEXWUJOTNAYID-UWVGGRQHSA-N 271.158 2.560 0 30 CFAC CCOC(=O)c1cc(Cl)n(-c2ccc(F)cc2)n1 66348285 MLTLSZIMBBUFBP-UHFFFAOYSA-N 268.675 2.842 0 30 CFAC CN(C)C=CC(=O)Oc1ccc(Cl)cc1Cl 2265233854 FSYRWMDDQZQZGH-UHFFFAOYSA-N 260.120 2.974 0 30 CFAC CO[C@H](CCC[C@H](C)CO)C(C)(C)Br 6020594 DOOYDTPWMJXOPI-VHSXEESVSA-N 267.207 2.974 0 30 CFAC COc1ccc(NC(=O)c2cc(F)ccc2O)cc1 6484379 WNYLDODJJZHAAU-UHFFFAOYSA-N 261.252 2.792 0 30 CFAC COCCCNC(=S)Nc1ccc(Cl)cc1C 4381742 AWXZQNYHTOSAJQ-UHFFFAOYSA-N 272.801 2.971 0 30 CFAC CC(=O)n1cnc(-c2ccc(Br)cc2)c1 382684281 DILUTFUCQGDEQB-UHFFFAOYSA-N 265.110 2.973 0 30 CFAC CC(C)(C)NC(=O)NC[C@H](c1ccc[nH]1)C(F)(F)F 3137750 DWQZBTFIYLYKBW-MRVPVSSYSA-N 277.290 2.758 0 30 CFAC CCOC(=O)c1cc(=O)c2cc(Br)ccc2o1 3608898 BDESGNKGTJQLCI-UHFFFAOYSA-N 297.104 2.732 0 30 CFAC COC1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 41638977 YFDNFDPWAUDEQC-UHFFFAOYSA-N 276.336 2.532 0 30 CFAC in-vitro CC(C)(C)OC(=O)NC[C@@H]1CNc2ccccc2C1 84800809 BNJKIEMYEFWKNX-NSHDSACASA-N 262.353 2.796 0 30 CFAC COc1ccc(-c2[nH]c(C)c(C(C)=O)c2N)cc1OC 2013766 YOTCWOYQOGHXBT-UHFFFAOYSA-N 274.320 2.792 0 30 CFAC O=C(O)c1cccnc1Nc1cccc(F)c1F 40231337 RVOSCEPHUJVGAD-UHFFFAOYSA-N 250.204 2.802 0 30 CFAC COc1cccc([C@H]([C@@H]2CCCC[C@H]2O)N(C)C)c1 150262515 YGRVVAVXEZIIDQ-BZUAXINKSA-N 263.381 2.849 0 30 CFAC C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O 35407342 PRWJYAIXSYGZSV-SCSAIBSYSA-N 268.622 2.639 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2CCC(=O)C[C@@H]2C1 76695005 NDYOYBIEJAHUTD-GHMZBOCLSA-N 253.342 2.613 0 30 CFAC Cc1ccc([S@@](C)(=O)=NC(=O)c2cc(C)on2)cc1 13466448 ADRCMNZHVNNJMI-LJQANCHMSA-N 278.333 2.589 0 30 CFAC O=C(N[C@H]1CCCCC[C@H]1O)OCc1ccccc1 130892029 AMGAYIMPQQNONB-UONOGXRCSA-N 263.337 2.606 0 30 CFAC Brc1cc2c(cc1-c1cnco1)OCO2 15042752 YRJFKTRWPSURIN-UHFFFAOYSA-N 268.066 2.833 0 30 CFAC Cc1cc2[nH]ccc(=O)c2c(C)c1Br 232048308 NGUUVACEHNRIPU-UHFFFAOYSA-N 252.111 2.907 0 30 CFAC CCOC(=O)[C@H](C)n1nc(C=Cc2ccccc2)ccc1=O 2265276154 BYZVOSQYKHOXMK-ZDUSSCGKSA-N 298.342 2.538 0 30 CFAC Nc1ncc(Cc2ccc(Cl)c(Cl)c2)c(N)n1 15444057 YFXPEDMBLISFPG-UHFFFAOYSA-N 269.135 2.539 0 30 CFAC CC(C)CCNC(C)(C)COC(=O)c1ccc(N)cc1 1996175 JECZNHBKZVMKML-UHFFFAOYSA-N 278.396 2.840 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(F)cc2F)C1 71652499 FHHDVDIBQWRTQV-ZDUSSCGKSA-N 298.333 2.846 0 30 CFAC CC[C@@H](C)OC(=O)CCCCCNC(=O)C(F)(F)F 32237830 HFKVLETUMHBSHC-SECBINFHSA-N 283.290 2.567 0 30 CFAC COC(=O)CCc1ccc(-c2ccc(CCN)cc2)cc1 725409026 PUECAKSGIQHCTE-UHFFFAOYSA-N 283.371 2.960 0 30 CFAC CC(C)(C)c1ccc(C2=NC(=O)[C@H](CC(=O)O)S2)cc1 151292 POKLEDFXLMGJLS-NSHDSACASA-N 291.372 2.847 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@@H](O)[C@@H]2C1 238110317 ISCNQMDGGSOEQD-MGPQQGTHSA-N 275.348 2.684 0 30 CFAC CCC(CC)(C(=O)OC)C(=O)Oc1cccs1 1070085450 KKFZJMVCWKKBEY-UHFFFAOYSA-N 256.323 2.633 0 30 CFAC CCOC(=O)c1c[nH]c2ccc(-c3ccco3)cc2c1=O 2265347481 VYOKKCCFWMCXPC-UHFFFAOYSA-N 283.283 2.965 0 30 CFAC Cc1c(Cl)ncc(Br)c1C(=O)O 71624313 FBMGYQFALLLMHG-UHFFFAOYSA-N 250.479 2.504 0 30 CFAC CCCC[C@H](C)OC(=O)C[C@H](C)NC(=O)C(F)(F)F 32221950 FHDWVJQWYXIEGU-IUCAKERBSA-N 283.290 2.565 0 30 CFAC CCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 5514052 GZRFAUJVAXSXMI-UHFFFAOYSA-N 268.309 2.669 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2CCC(=O)C[C@H]2C1 76695009 NDYOYBIEJAHUTD-QWRGUYRKSA-N 253.342 2.613 0 30 CFAC CCN(CC)CC(=O)N[C@@H](c1ccccc1)C1CCC1 3622592 NFDHEFLMCQYANG-KRWDZBQOSA-N 274.408 2.986 0 30 CFAC Cc1ccc(S(=O)(=O)N=[S@@]2CCCSC2)cc1 4349267 DEVAVHKXBGYRLV-INIZCTEOSA-N 289.447 2.580 0 30 CFAC N=C1c2ccccc2CN1c1ccc(N2CCOCC2)cc1 315938859 SMYTXVDKGRSUBO-UHFFFAOYSA-N 293.370 2.869 0 30 CFAC CCCN(C)CCc1c[nH]c2cccc(OC(C)=O)c12 2265384841 CECCEKYTLKWWJJ-UHFFFAOYSA-N 274.364 2.978 0 30 CFAC c1ccc(CN2CCC(n3nnc4cccnc43)CC2)cc1 171281 YVXLVLHIIQUIJM-UHFFFAOYSA-N 293.374 2.663 0 30 CFAC CN(C)C[C@H](OC(=O)c1ccc(N)cc1)c1ccccc1 1997822 CEKOPAVBIKRJKH-INIZCTEOSA-N 284.359 2.729 0 30 CFAC Cc1ccccc1C[C@@H](CO)CNC(=O)OC(C)(C)C 98210198 ACTRTZQAJKIOHW-CYBMUJFWSA-N 279.380 2.671 0 30 CFAC O=C(O)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 70564 NBHUXSHPWLAAKT-CQSZACIVSA-N 271.272 2.653 0 30 CFAC COC(=S)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 172793 ULYNWOLMGAATCZ-GHMZBOCLSA-N 280.393 2.643 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)c2cccnc2)C1 697168634 CEZHDDGDCPFUQA-KGLIPLIRSA-N 292.379 2.762 0 30 CFAC Cc1ccc(F)c(I)c1F 215079311 WHKODHBVDPJZAA-UHFFFAOYSA-N 254.017 2.878 0 30 CFAC CC[C@@H](CN)C(O)(c1ccccc1)c1ccccc1 5922957 GFNWHHPVGUTUOC-AWEZNQCLSA-N 255.361 2.907 0 30 CFAC Ic1cnoc1-c1ccccc1 22013539 WOXIDHXRACCFIT-UHFFFAOYSA-N 271.057 2.946 0 30 CFAC COC(=O)c1cc(OC)cc(Br)c1C 89157208 YPNJZPSNMSKZSA-UHFFFAOYSA-N 259.099 2.553 0 30 CFAC Cc1ccc(Br)cc1C1(C(=O)O)CC1 83256663 XHSQZTWZOINBCL-UHFFFAOYSA-N 255.111 2.874 0 30 CFAC COC(=O)[C@H]1[C@@H]2C=C[C@H](C2)N1[C@@H](C)c1ccccc1 142811070 PWUWUKQPSOGOPL-ZGKBOVNRSA-N 257.333 2.550 0 30 CFAC Cn1cc2c(C(=O)O)c(-c3ccccc3)ccc2n1 607717041 HSSDSNHXXVNIME-UHFFFAOYSA-N 252.273 2.939 0 30 CFAC COc1ccccc1Nc1nc(Cl)nc(Cl)n1 2034654 YWDSGNCAMLCJSF-UHFFFAOYSA-N 271.107 2.931 0 30 CFAC Cc1cc(Br)cc(C)c1N1CCC[C@@H](N)C1=O 88172849 KJUNVUNVHHGSCA-LLVKDONJSA-N 297.196 2.520 0 30 CFAC in-vitro O=C(NCC1(C(=O)O)CCCC1)OCc1ccccc1 96034497 PJZVXXYXWXMRSS-UHFFFAOYSA-N 277.320 2.558 0 30 CFAC CC[C@H](C)OC(=O)C[C@H](Cl)C(=O)O[C@@H](C)CC 140361416 DDFOEZUAHKPWAK-GUBZILKMSA-N 264.749 2.667 0 30 CFAC CC(C)(C)[C@@H](O)[C@@H](CCOc1ccccc1)n1cncn1 5354608 KECDDIBOVKGAEU-CABCVRRESA-N 289.379 2.695 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H]2O[C@@]2(c2ccccc2)C1 642882259 LBLJHKOVKAWICR-IUODEOHRSA-N 261.321 2.531 0 30 CFAC C[C@H](NCCc1ccc(O)cc1)C(=O)c1ccc(O)cc1 21985147 WNCXDNZVUJLFPD-LBPRGKRZSA-N 285.343 2.501 0 30 CFAC Cc1ccc(-c2nn(CCO)c(=O)c3ccccc23)cc1C 143973 AGACLAZOCFAYCF-UHFFFAOYSA-N 294.354 2.673 0 30 CFAC Nc1c(C(=O)O)ccc(Br)c1C(F)(F)F 396070026 NRXLWROYVUDNPL-UHFFFAOYSA-N 284.031 2.748 0 30 CFAC S=C1NCN([C@@H](Cc2ccccc2)c2ccccc2)CN1 20444295 VHTUUHBKUWRLHR-INIZCTEOSA-N 297.427 2.665 0 30 CFAC Nc1c(Br)cc(C(=O)O)cc1C(F)(F)F 39617244 FJSVZFGLPVHCGT-UHFFFAOYSA-N 284.031 2.748 0 30 CFAC CN(C)C=C1CCN(c2ccc(Cl)cc2)C1=O 8663823 GNLVKOFSVANEQT-UHFFFAOYSA-N 250.729 2.522 0 30 CFAC CSc1nc(O)nc(-c2ccc(Cl)cc2)n1 13465933 IXIYSQXWGAGAGK-UHFFFAOYSA-N 253.714 2.620 0 30 CFAC CC[C@@H](CC(N)=O)Nc1ccc(C(F)(F)F)cc1 90414511 RZSARXINBOJSRD-VIFPVBQESA-N 260.259 2.771 0 30 CFAC in-vitro COc1ccc(Cl)c2c1C(=O)C[C@@H](CC(=O)O)S2 6018089 YDUNODYKUBLLTG-LURJTMIESA-N 286.736 2.870 0 30 CFAC c1ccc(CN2CCC[C@H](NCc3ccncc3)C2)cc1 37325862 LBZFMMNDAKTLKN-SFHVURJKSA-N 281.403 2.836 0 30 CFAC in-vitro C=Cc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 214157272 DBCHOOKQEUOCNZ-CYBMUJFWSA-N 291.347 2.850 0 30 CFAC C[C@@H]1CCC[C@@H](C)N1C(=S)NCc1ccco1 13658792 WRSFJZYRCZSDPG-GHMZBOCLSA-N 252.383 2.917 0 30 CFAC NC[C@@H](CCN1CCCC1)c1cccc(Cl)c1 55167801 ZKPDFRWDVGWCJC-CYBMUJFWSA-N 252.789 2.868 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2C(=O)CCC[C@@H]2C1 144785668 XBDUKKODGGWYIN-GHMZBOCLSA-N 253.342 2.613 0 30 CFAC COc1ccc([S@@](=O)c2ccccc2C(=O)O)cc1 173132 JUPRMFFMLYDHOW-IBGZPJMESA-N 276.313 2.560 0 30 CFAC O=C(O)c1[nH]c2c(Br)cccc2c1CCCO 2265385686 DILXRQASFCPVHB-UHFFFAOYSA-N 298.136 2.554 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](N)C1 12505961 BPFDKUCSVLPAQY-UONOGXRCSA-N 276.380 2.738 0 30 CFAC CO[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 1851099 IOZWXJXXVLARQC-KURKYZTESA-N 287.403 2.705 0 30 CFAC CCOC(=O)c1cn2nc(Oc3ccccc3)ccc2n1 158104 LGCNGDZDVYAXHP-UHFFFAOYSA-N 283.287 2.698 0 30 CFAC O=C1CC2(CCCCC2)CC(=O)N1c1cccnc1 4347882 IRURKQUDDLLWBR-UHFFFAOYSA-N 258.321 2.686 0 30 CFAC O=C(C(=NNc1ccccc1)C(=O)C(F)(F)F)C1CC1 254630743 MCDPWZAHODUFEY-UHFFFAOYSA-N 284.237 2.565 0 30 CFAC COc1cc(F)ccc1-c1csc(N2CCOCC2)n1 299824782 BXSSVHAUFVXKOC-UHFFFAOYSA-N 294.351 2.794 0 30 CFAC Cn1c(C(=O)NCC2CC2)cc2ccc(Cl)cc21 888090898 ZQEYAXJOQZIKDW-UHFFFAOYSA-N 262.740 2.972 0 30 CFAC Cc1cc(C)nc(NC(=O)C=Cc2ccccc2)n1 2265239502 JLDKEAOWQGNESL-UHFFFAOYSA-N 253.305 2.745 0 30 CFAC COc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1 129597 VEXLZDDXIDNYNI-RVDMUPIBSA-N 278.311 2.613 0 30 CFAC COCCCNC(=S)Nc1c(C)cccc1C 2160715 MAROAQURSAAEQJ-UHFFFAOYSA-N 252.383 2.626 0 30 CFAC CC1(C)CN(C(=S)Nc2cccc(Cl)c2)C1=O 93462 NRKOZJYLWIJIMT-UHFFFAOYSA-N 268.769 2.905 0 30 CFAC O=S(=O)(NCC[C@H]1CC1(Cl)Cl)c1ccccc1 142238 YFJQTQZPCQKITB-VIFPVBQESA-N 294.203 2.549 0 30 CFAC CC(C)C(=O)Nc1ccc(O)c(-c2csc(N)n2)c1 4857812 ANDOVPTXGXVCOM-UHFFFAOYSA-N 277.349 2.692 0 30 CFAC CC(C)(C)OC(=O)NCc1ccc(N)cc1Cl 123031712 FWADADMZZLUECL-UHFFFAOYSA-N 256.733 2.947 0 30 CFAC O=C(N1CCSCC1)C12CC3CC(CC(C3)C1)C2 4323236 FKNLLQDPWINUFH-UHFFFAOYSA-N 265.422 2.778 0 30 CFAC O=C(Nc1cccc(Cl)c1)O[C@H]1CN2CCC1CC2 129739 QCWZYJPDPROWAC-ZDUSSCGKSA-N 280.755 2.983 0 30 CFAC CC(C)(C)c1cn2cc(Br)cnc2n1 39325754 WMSUUGWLJJZSGJ-UHFFFAOYSA-N 254.131 2.789 0 30 CFAC COC(=O)Cc1ccc2nc(Br)sc2c1 95705241 UMKIOMAKUZUSTI-UHFFFAOYSA-N 286.150 2.774 0 30 CFAC O=S(=O)(Cc1ccc(F)cc1)c1ccccc1 109357 YSCXGVZQONMRAU-UHFFFAOYSA-N 250.294 2.800 0 30 CFAC CC(=O)N[C@H]1C(=O)Nc2ccc(-c3ccc(C)cc3)cc21 536557748 MKDIXOWFGZAUGH-MRXNPFEDSA-N 280.327 2.791 0 30 CFAC O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccn1 13657754 GZZABAAUMNAWPH-UHFFFAOYSA-N 281.290 2.562 0 30 CFAC C/C(CC(C)C)=N\C(=O)CNCC(=O)/N=C(\C)CC(C)C 96331916 LNGYCQMBKLBJRA-JIBZRZDWSA-N 295.427 2.643 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H](CCCCN)C1 6159267 JXIQWYRJXFZWAI-GFCCVEGCSA-N 256.390 2.763 0 30 CFAC CC(=O)Oc1ccc(C(C)(C)C)cc1OC(C)=O 32206187 NBDHUKNVZPIOEW-UHFFFAOYSA-N 250.294 2.835 0 30 CFAC CCN1C(=O)SC(=Cc2cc(OC)ccc2OC)C1=O 2265276358 BTTZDASLUJZIEJ-UHFFFAOYSA-N 293.344 2.760 0 30 CFAC CCOC(=O)c1cc2c(Cl)nc(C)cc2n1C 498050504 HEKSKFOGDWZLLR-UHFFFAOYSA-N 252.701 2.712 0 30 CFAC Cc1c(Cl)cccc1NC(=O)N1CCC(O)CC1 66317 DDLKNQNRZONIRM-UHFFFAOYSA-N 268.744 2.637 0 30 CFAC CSc1nc2c(Cl)cccc2c2c1c(=O)[nH]n2C 170688 GSUGAGLOCYARST-UHFFFAOYSA-N 279.752 2.790 0 30 CFAC Cc1ccc([C@@H]2N[C@H](C(=O)O)C(C)(C)S2)cc1 85301 AXGIZGVQGTZGBP-GHMZBOCLSA-N 251.351 2.562 0 30 CFAC CC(C)(C)OC(=O)N1CC([C@H](N)c2ccc(F)cc2)C1 406875732 UIGPUQOEQFKUIE-CYBMUJFWSA-N 280.343 2.692 0 30 CFAC O=C(O)/C=C/C(=O)NCc1csc2ccc(Cl)cc12 102927 GHEBBOKVERUVIS-ONEGZZNKSA-N 295.747 2.812 0 30 CFAC CC(C)(CC(=O)O)CC(=O)N1CCCc2ccccc21 155885 VHBDEHWLLAHOSO-UHFFFAOYSA-N 275.348 2.857 0 30 CFAC CCCCNC(=O)Oc1cccc(NC(=O)OC)c1 1756308 JGNLKFYGXRGIMJ-UHFFFAOYSA-N 266.297 2.753 0 30 CFAC c1ccc(Oc2ccc([C@H]3CNCCN3)cc2)cc1 71575827 NASNNRDIVCZETE-MRXNPFEDSA-N 254.333 2.713 0 30 CFAC C[C@@H]1[C@@H](C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C 260240555 WGILMBITEGFAGY-BXKDBHETSA-N 277.320 2.998 0 30 CFAC CCCC1=NNC(=O)[C@H]1Cc1c(F)cccc1Cl 100397404 NVORLSBNYGZEHP-VIFPVBQESA-N 268.719 2.924 0 30 CFAC CN1CCC(=O)C[C@H]1c1ccccc1Br 84170640 SUYFTJKIZSAYLD-LBPRGKRZSA-N 268.154 2.785 0 30 CFAC Cc1ccc2nc(-c3ccc(F)cc3)c(CN)n2c1 11570072 KIOUZAAIJKIDLO-UHFFFAOYSA-N 255.296 2.908 0 30 CFAC O=C(c1ccc(-c2cccs2)s1)N1CCOCC1 108468 MECXKAOTYPRHJM-UHFFFAOYSA-N 279.386 2.949 0 30 CFAC CSc1nc(N)n(-c2cc(Cl)cc(Cl)c2)n1 164494 MPHAUGVSNOVVLL-UHFFFAOYSA-N 275.164 2.878 0 30 CFAC O=C(O)C1=NN(c2ccc(Cl)c(Cl)c2)C(=O)CC1 21951997 YKEAVZCIRKMNLH-UHFFFAOYSA-N 287.102 2.561 0 30 CFAC CC1=CC(C)(C)NC(=S)N1c1c(C)cccc1N 205003016 BWLFMDUUOIJICZ-UHFFFAOYSA-N 261.394 2.954 0 30 CFAC CCCCOCCOP(=O)(O)OCCOCCCC 5514188 NNXWIPHZHATIFE-UHFFFAOYSA-N 298.316 2.753 0 30 CFAC Nc1ccc(-c2cnc3c(NCC4CC4)nccn23)cc1 953079357 ZHLWYBYFCGMDDN-UHFFFAOYSA-N 279.347 2.800 0 30 CFAC C[C@@H](CN1C(=O)CCc2ccc(O)cc21)N1CCCCC1 1997192 UODZETJISHYYBP-ZDUSSCGKSA-N 288.391 2.546 0 30 CFAC CC1(C)Cc2ccccc2[C@](O)(c2ccccc2)[C@@H]1O 32233381 IQMBJCZXIXPNDO-SJLPKXTDSA-N 268.356 2.866 0 30 CFAC O=C(O)[C@H]1c2ccccc2CN1Cc1ccccc1 146319678 YEXPMBPUCONRPR-OAHLLOKOSA-N 253.301 2.828 0 30 CFAC CCOC(=O)C(=O)OCC[C@H](C)CCCC(C)C 5854678 CKMYZVFRXOQCPF-GFCCVEGCSA-N 258.358 2.945 0 30 CFAC C[C@H](N)[C@@H](C)c1cccc(I)c1 33868235 OJVNHUSKBDNLFH-SFYZADRCSA-N 275.133 2.742 0 30 CFAC CSc1nc(OC(=O)N(C)C)cc(-c2ccccc2)n1 72977 SYONBLWOTQHISY-UHFFFAOYSA-N 289.360 2.926 0 30 CFAC CCN(CC)CCNCCc1ccc(Cl)cc1 42396436 QDZKKKBVXDJLFH-UHFFFAOYSA-N 254.805 2.814 0 30 CFAC CCCCN(C(=O)OC(C)(C)C)C1CCNCC1 58040496 BSZRPYGJFXXPBN-UHFFFAOYSA-N 256.390 2.776 0 30 CFAC CC(C)(C)OC(=O)c1ncsc1Br 699152718 OKGMKPIEMPSIIQ-UHFFFAOYSA-N 264.144 2.861 0 30 CFAC CCOC(=O)C=Cc1c(O)cccc1Br 2265362018 KAVDMQDBSGSBLO-UHFFFAOYSA-N 271.110 2.731 0 30 CFAC C[C@@H](NCCc1ccc(O)cc1)C(=O)c1ccc(O)cc1 21985145 WNCXDNZVUJLFPD-GFCCVEGCSA-N 285.343 2.501 0 30 CFAC CC(C)[C@@H](CN1CCCC1)NC(=O)OC(C)(C)C 44137583 NQHBSFIBAKLDMJ-GFCCVEGCSA-N 256.390 2.632 0 30 CFAC O=NC(Br)(Br)Br 111348220 KCGVNAMXJWRIIX-UHFFFAOYSA-N 281.729 2.549 0 30 CFAC COCN(Cc1ccc(OC)cc1)C[Si](C)(C)C 197882410 MYMIAGKKDMXTGP-UHFFFAOYSA-N 267.445 2.979 0 30 CFAC CNC[C@@H](O)c1ccc(OCc2ccccc2)cc1 22062559 OJLDKTDDGHUVLX-MRXNPFEDSA-N 257.333 2.518 0 30 CFAC in-vitro COc1cccc(C(=O)C[C@H]2CCC[C@@H]2C(=O)O)c1 83294460 CWICUGQYGRANBH-MFKMUULPSA-N 262.305 2.769 0 30 CFAC NC1(C(F)(F)F)CCN(Cc2ccccc2)CC1 306687309 LEVQQBOHTCOVAW-UHFFFAOYSA-N 258.287 2.542 0 30 CFAC C[C@@H]1[C@H](C(=O)O)[C@H]1c1cccc(Br)c1 253486178 VFFFMLOGCLWPOH-QUNWWBBNSA-N 255.111 2.883 0 30 CFAC CC(=O)OC[C@H](C)[C@@H](CC=C(C)C)COC(C)=O 238790689 RTKRUXKAHYHHID-FZMZJTMJSA-N 256.342 2.721 0 30 CFAC Nc1nnc(SCCCCO[C@H]2CCCCO2)s1 4336354 WKNXVWIKBKBZOH-VIFPVBQESA-N 289.426 2.536 0 30 CFAC Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1N 20194752 XKRXQPSNXNEZGA-UHFFFAOYSA-N 258.296 2.646 0 30 CFAC O=c1c(Cl)c(Br)cnn1-c1ccccc1 1995227 DKQRNDGOJIYNOY-UHFFFAOYSA-N 285.528 2.648 0 30 CFAC CCN(CC)CCNC(=O)C[C@@H](C)c1ccccc1 2000805 BLPZYUOAGSFQPF-CQSZACIVSA-N 262.397 2.638 0 30 CFAC C[C@H](OC(C)(C)C)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 211021111 WBHDVLYPXNXQAW-UWVGGRQHSA-N 289.372 2.558 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2F)C1 83552667 WJOAWDAWTNVLFJ-CYBMUJFWSA-N 294.370 2.925 0 30 CFAC Cc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)n1 92341 DBBXSRDCSJOTDU-UHFFFAOYSA-N 269.131 2.907 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 22112713 BSQUTUQUCZEQCD-STQMWFEESA-N 263.337 2.729 0 30 CFAC CC(C)n1nc(Br)c2c(Cl)ncnc21 584883560 TYOIQPXGGFDXAD-UHFFFAOYSA-N 275.537 2.823 0 30 CFAC CC(C)N(CCNCCN(C(C)C)C(C)C)C(C)C 44076159 DVVORTHDQVBZOO-UHFFFAOYSA-N 271.493 2.814 0 30 CFAC CCC(=O)N1[C@H]2CC[C@@H]1CN(C/C=C/c1ccccc1)C2 26186543 RKNSPEOBXHFNTD-DQCUJPBYSA-N 284.403 2.785 0 30 CFAC CC(C)c1ccc(-n2nnc3ccccc3c2=O)cc1 4323567 GIUSFYRLDQEYKG-UHFFFAOYSA-N 265.316 2.904 0 30 CFAC Cc1ccccc1Oc1ccc(N)cc1S(=O)(=O)O 33611130 XSPLXTVIPOKKOJ-UHFFFAOYSA-N 279.317 2.616 0 30 CFAC CC(C)(N)c1nc2ccc(Br)cc2[nH]1 40911274 DKEHWMQGUFASGU-UHFFFAOYSA-N 254.131 2.519 0 30 CFAC COC(=O)c1cc(SC(F)(F)F)ccc1N 687700245 HPRBPDIITDVZLM-UHFFFAOYSA-N 251.229 2.667 0 30 CFAC Brc1cncc(CNCc2ccco2)c1 37927575 OHAQLKFYNZYZKU-UHFFFAOYSA-N 267.126 2.727 0 30 CFAC CC1(C)C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 642881828 OCDAHHCZFHVXML-LBPRGKRZSA-N 277.320 2.508 0 30 CFAC Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccncc1 67803 KTIQKNGWFNDPNJ-UHFFFAOYSA-N 285.734 2.802 0 30 CFAC CC(C)NC(=O)CSc1nccc(-c2cccs2)n1 148206 XEAXASBWBKVLMB-UHFFFAOYSA-N 293.417 2.822 0 30 CFAC CC(C)(C)C[C@H]1CNCCN1C(=O)OC(C)(C)C 96952423 WMUXBLXFHKCHQI-NSHDSACASA-N 256.390 2.632 0 30 CFAC CC(C)(C)NS(=O)(=O)c1sccc1Br 34214586 GTCZTNZKYYGKDM-UHFFFAOYSA-N 298.227 2.587 0 30 CFAC Brc1cnc2nc(CC3CC3)[nH]c2c1 42750049 YMPMQAWXZHCMMU-UHFFFAOYSA-N 252.115 2.673 0 30 CFAC CCC(=O)NCCc1c[nH]c2cc(Cl)c(OC)cc12 33852193 XSRWYGZSPYXVPC-UHFFFAOYSA-N 280.755 2.899 0 30 CFAC COc1ccc(OC)c2nc3c(nc12)C(=O)c1ccccc1-3 90628 XEUMFIXHCDHXCI-UHFFFAOYSA-N 292.294 2.858 0 30 CFAC Brc1cc(Br)n(CC2CC2)n1 129247020 CJIDRUSNGLABNZ-UHFFFAOYSA-N 279.963 2.818 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1C1CCNCC1 96946871 NKZWLJFBMSPDNR-CYBMUJFWSA-N 268.401 2.776 0 30 CFAC CCOP(=O)(CNC(=O)OC(C)(C)C)OCC 96395056 VFJRWTDMZOYPJF-UHFFFAOYSA-N 267.262 2.735 0 30 CFAC O=c1ccc2c(Br)ccc(Cl)c2[nH]1 70054966 QGJFXRRKKZAHKS-UHFFFAOYSA-N 258.502 2.944 0 30 CFAC O=[N+]([O-])c1cnc2cccc(Br)c2c1O 143765194 NWRGJCHLYXOMGU-UHFFFAOYSA-N 269.054 2.611 0 30 CFAC CCOC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 150132 SVTHPVQHILUPBB-UHFFFAOYSA-N 280.711 2.886 0 30 CFAC CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCNCC2 96898254 OLNPQYNSOSGNKR-LBPRGKRZSA-N 268.401 2.681 0 30 CFAC CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1 83643553 WMNIWMKVBYZQNH-LBPRGKRZSA-N 277.320 2.606 0 30 CFAC COc1ccccc1-n1cc2cnc(SC)nc2n1 95628308 OLGOLMGOOZHFSL-UHFFFAOYSA-N 272.333 2.546 0 30 CFAC COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N 59695892 JNOIGSSVGODOOZ-UHFFFAOYSA-N 289.175 2.590 0 30 CFAC Clc1nc2ccc(I)nc2s1 306393272 DQZBBGQUGHGRRH-UHFFFAOYSA-N 296.520 2.949 0 30 CFAC COC(=O)[C@H](C)SCC(=O)Nc1c(C)cccc1C 3046298 WKNQRAJHOOVTFP-NSHDSACASA-N 281.377 2.537 0 30 CFAC CN(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 5965666 HDKXNOZGPYDIMX-GOSISDBHSA-N 294.398 2.966 0 30 CFAC O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CSC2 8637185 ZJBPPDRWSRJCBB-UHFFFAOYSA-N 264.737 2.837 0 30 CFAC Cc1cc(Br)cc(C)c1N1CCC[C@H](N)C1 83848971 YHSUTTVOZOMBGW-LBPRGKRZSA-N 283.213 2.993 0 30 CFAC in-vitro CC(C)(C)C(=O)OCC1=C[C@H](O)[C@@H]2C[C@@H]1C2(C)C 100052152 GBMWZXYSDJCJFG-SRVKXCTJSA-N 252.354 2.539 0 30 CFAC O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCC1 149660452 URNPINUJHMPCTN-LSDHHAIUSA-N 259.349 2.619 0 30 CFAC CC(C)N1CCN(C[C@@H](C)Nc2ccccc2)CC1 39269564 UZYRTXXIKNCTQO-OAHLLOKOSA-N 261.413 2.513 0 30 CFAC CN(C)C=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 140632 NJQDDPIDMBHIFF-UHFFFAOYSA-N 284.146 2.901 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCCN1 96946811 XOZZUEAIFAOYDA-QWHCGFSZSA-N 268.401 2.918 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1 96958500 SORFVNGKJQCDMN-NWDGAFQWSA-N 254.374 2.528 0 30 CFAC C[C@H]1CCC[C@@H](C)N1C(=S)NCc1ccco1 13658797 WRSFJZYRCZSDPG-PHIMTYICSA-N 252.383 2.917 0 30 CFAC CCCCOc1ccc(C(=O)NCCN2CCCC2)cc1 1855578 RYBDLOPJFQYEGQ-UHFFFAOYSA-N 290.407 2.691 0 30 CFAC CCOC(=O)c1cc(Cl)c2scc(C(=O)OC)c2n1 498050478 CSSPHWNTUMSYFO-UHFFFAOYSA-N 299.735 2.913 0 30 CFAC CCCOc1cnn(-c2ccccc2)c(=O)c1Cl 2187291 GHFDUYMAQDXCAW-UHFFFAOYSA-N 264.712 2.675 0 30 CFAC O=C1CCc2cc(C3=CSC4=NCCCN34)ccc2N1 132508 YATPMVUOCVPUNP-UHFFFAOYSA-N 285.372 2.678 0 30 CFAC CCNc1nc(=S)[nH]c2c1cnn2-c1ccccc1 159013 OSMRBDVHXNNION-UHFFFAOYSA-N 271.349 2.910 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](O)CC[C@@H]21 250600855 ZHKMOSFUKMJOEU-UTUOFQBUSA-N 255.358 2.547 0 30 CFAC C[C@@H](c1ccc(C(F)(F)F)nc1)[S@](C)(=N)=O 114402519 SDEFOCWEOKCRJR-XABCROFNSA-N 252.261 2.838 0 30 CFAC CC(C)N(C[C@@H](O)COc1cccc2ccccc12)N=O 5760270 TXYRHXNLIUKPMM-CQSZACIVSA-N 288.347 2.971 0 30 CFAC CC[C@H](C)OC(=O)[C@H](C)[C@@H](C)C(=O)O[C@@H](C)CC 32157476 LQWRRTKDUFSMHR-NNYUYHANSA-N 258.358 2.942 0 30 CFAC CN1C(=O)SC(=Cc2c[nH]c3ccccc23)C1=O 2265276434 SYFZWDGKHXSGLB-UHFFFAOYSA-N 258.302 2.834 0 30 CFAC CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)C(=O)C(F)(F)F 604973099 LJWTWAVRWNNNCK-KKZNHRDASA-N 252.276 2.941 0 30 CFAC O=C(Oc1ccccc1N1CCOCC1)c1ccccc1 153229 QRZHKOYUQMNEFD-UHFFFAOYSA-N 283.327 2.742 0 30 CFAC CCCN(CCC)CCOC(=O)c1ccc(N)cc1 2018896 AMEAGBNZADXGNW-UHFFFAOYSA-N 264.369 2.548 0 30 CFAC CC(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1 3129101 ATAZYCANNDNXFH-UHFFFAOYSA-N 290.340 2.965 0 30 CFAC Clc1ncc(N2CCO[C@@H]3CCCC[C@@H]32)c(Cl)n1 1504000361 QLHOTHZQEUNVBH-WCBMZHEXSA-N 288.178 2.931 0 30 CFAC CC(C)(C)OC(=O)Nc1c(C(=O)O)cccc1[N+](=O)[O-] 141474737 YHVNSQNDUXHQLH-UHFFFAOYSA-N 282.252 2.640 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](N)CC[C@@H]21 250600774 YPAOLNGJEGCXIG-UTUOFQBUSA-N 254.374 2.513 0 30 CFAC Cc1cccc(C)c1NC(=O)[C@H]1CN2CCC1CC2 6071710 HCIRLKXASKPUHN-AWEZNQCLSA-N 258.365 2.584 0 30 CFAC CCCCc1c(C)[nH]c2cc(-c3ccco3)nn2c1=O 15919750 WDGIJFVOMLWVCH-UHFFFAOYSA-N 271.320 2.934 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccs2)C1 91527693 LBIXPAGJQQFEKY-SNVBAGLBSA-N 283.397 2.955 0 30 CFAC O=C(O)/C=C/C(=O)Nc1ccc(OCc2ccccc2)cc1 103779 JCERXBPZYFMHAK-ZHACJKMWSA-N 297.310 2.845 0 30 CFAC O=S(=O)(O)c1ccc(NCc2ccccc2)cc1 5162350 LJPQSZVZLDUAQO-UHFFFAOYSA-N 263.318 2.545 0 30 CFAC COc1ccc(NC(=O)CC(F)(F)F)cc1F 49223913 WKSIETTVFSZWKP-UHFFFAOYSA-N 251.179 2.725 0 30 CFAC O=C(O)c1cccc(OCCOc2ccccc2Cl)n1 536952038 DBNQFEZYCKQHQG-UHFFFAOYSA-N 293.706 2.891 0 30 CFAC O=C(O)c1cc(Oc2ccccc2)cc(C(=O)O)c1 6116034 ZZMSWJDUUZUBNA-UHFFFAOYSA-N 258.229 2.875 0 30 CFAC CC(C)c1nc(C(F)(F)C(F)(F)F)ncc1C(=O)O 8699850 DUOWWEAVVNTNLQ-UHFFFAOYSA-N 284.184 2.952 0 30 CFAC O[C@@H](CN1CCSCC1)c1c(F)cccc1Cl 36048328 FAHQOIMZEOTUGC-NSHDSACASA-N 275.776 2.561 0 30 CFAC CCCNc1nc2c(s1)C[C@H](NCCC)CC2 96030387 NSHVRDSQVRQBFT-SNVBAGLBSA-N 253.415 2.822 0 30 CFAC CC[C@H](C)OC(=O)C[C@@H](Cl)C(=O)O[C@@H](C)CC 140361746 DDFOEZUAHKPWAK-LPEHRKFASA-N 264.749 2.667 0 30 CFAC CCOC(=O)[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 98087483 HHLVBYDRFDRWTE-KBPBESRZSA-N 291.347 2.645 0 30 CFAC Fc1c(Br)ccnc1Br 306762335 DSLSOZXWIWDWHA-UHFFFAOYSA-N 254.884 2.746 0 30 CFAC CC(C)(C)OC(=O)NCC1(CCCO)CCCC1 238133601 ICXPTWFYQPQQLH-UHFFFAOYSA-N 257.374 2.844 0 30 CFAC CCOC(=O)C(C)=C1CCN(C(=O)OC(C)(C)C)CC1 91353194 DBCYSDFJISJFLX-UHFFFAOYSA-N 283.368 2.897 0 30 CFAC O=C(O)COc1ccc(Cl)c(C(F)(F)F)c1 75914148 DFVMBWYINWAWBX-UHFFFAOYSA-N 254.591 2.822 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H](c2cc[nH]n2)C1 616624313 DLUCEDVVICPVDR-LLVKDONJSA-N 265.357 2.914 0 30 CFAC CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3 898724 DYAAXURJUVSJEZ-AWEZNQCLSA-N 295.338 2.873 0 30 CFAC biogenic,in-vitro Fc1ccc2cc(I)[nH]c2c1 238622002 FHTXSZAHHDWLDQ-UHFFFAOYSA-N 261.037 2.912 0 30 CFAC Cc1ccnc2c1ccn2S(=O)(=O)Oc1ccccc1 607717251 ILGQPJXWIQQXAK-UHFFFAOYSA-N 288.328 2.517 0 30 CFAC C=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 66354313 XKTFRTZOLAQYTD-UHFFFAOYSA-N 284.340 2.916 0 30 CFAC CN(C)CCNc1c2c(nc3ccccc13)CCC[C@H]2O 14946476 XMAVZCCINJYMNG-OAHLLOKOSA-N 285.391 2.578 0 30 CFAC C[C@H](C(=O)c1ccccc1)N(CCO)Cc1ccccc1 50514214 WOYPUTZMXTXJKC-OAHLLOKOSA-N 283.371 2.752 0 30 CFAC in-vitro O=C1CCC[C@]1(CCN1CCOCC1)C1=CCCC1 38600699 KUOYUNPLUMKQIF-INIZCTEOSA-N 263.381 2.558 0 30 CFAC in-man CC(C)(C)OC(=O)Nc1cc(Cl)c(C=O)cn1 95642543 XKJHAAGESUJSGT-UHFFFAOYSA-N 256.689 2.895 0 30 CFAC O=Cc1cncc(-c2cccc(Br)n2)c1 91366262 JKZGGKFOMLROIL-UHFFFAOYSA-N 263.094 2.719 0 30 CFAC COC(=O)c1c(C)nn(-c2ccccc2)c1-c1cc(C)on1 122330 POQMVCBHSFGMEK-UHFFFAOYSA-N 297.314 2.931 0 30 CFAC O=C(c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1 118188 MCZZWXBYTBMLNT-UHFFFAOYSA-N 256.183 2.539 0 30 CFAC Cc1ccccc1C(=O)c1cn(C)nc1C(F)F 2265362027 ZHIIYSWITHFGGU-UHFFFAOYSA-N 250.248 2.897 0 30 CFAC COC(=O)c1sc2cc(OC)c(OC)cc2c1OC 38611881 ODZIMFDGNPPJMZ-UHFFFAOYSA-N 282.317 2.714 0 30 CFAC Nc1cc(-c2nc(CC(F)(F)F)no2)c(F)cc1F 48798433 PPMGWVZJSGSVAQ-UHFFFAOYSA-N 279.168 2.702 0 30 CFAC CC(C)(C)OC(=O)NCC[C@H](CC(=O)O)C(F)(F)F 57219099 VBVHGWGVTGSANP-SSDOTTSWSA-N 285.262 2.554 0 30 CFAC CCC(CC)NC[C@H](C)OC(=O)c1ccc(N)cc1 1855297 MHZZUEJIMXLOJJ-NSHDSACASA-N 264.369 2.592 0 30 CFAC CCOCOc1cc(Br)ccc1[C@H](C)O 230137183 CLMNIOTXJDBKRX-QMMMGPOBSA-N 275.142 2.875 0 30 CFAC C[C@H](O)[C@H](NC(=O)c1ccccc1)c1ccccc1 173471 LNPDNDIGGRBFTO-WFASDCNBSA-N 255.317 2.539 0 30 CFAC COC(=O)CCNc1ccc(Br)c(F)c1 83826521 XXFZSUAAVXFNCG-UHFFFAOYSA-N 276.105 2.563 0 30 CFAC O[C@H]1CC[C@H](NCc2c(F)cccc2Cl)CC1 252706192 SOFDFXHYCBWQGF-MGCOHNPYSA-N 257.736 2.872 0 30 CFAC O=C(Sc1ccc(Cl)cc1)N1CCOCC1 127544 DGUALBFSMXNAGV-UHFFFAOYSA-N 257.742 2.884 0 30 CFAC CC(=O)[C@H]1C(=O)c2ccccc2N(C2CCCCC2)C1=O 957741132 JFABHJLOOLVWJK-HNNXBMFYSA-N 285.343 2.754 0 30 CFAC O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)CCO2 146207 XJFSKDLPZKYOGZ-UHFFFAOYSA-N 293.319 2.561 0 30 CFAC Cc1nc(C)c(-c2ccn(C(=O)NC(C)C)n2)s1 141266 FWCSLWVLDQSQKH-UHFFFAOYSA-N 264.354 2.590 0 30 CFAC CCOC(=O)[C@H]1CCCC1=NNc1ccc(C(=O)O)cc1 254509117 MYRMLLKWSTZGRS-LBPRGKRZSA-N 290.319 2.516 0 30 CFAC CCCCC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2040296 OYASNZKXMOQVFP-GFCCVEGCSA-N 280.368 2.594 0 30 CFAC COc1ccc(-c2csc(NN)n2)cc1Cl 36172722 KHGUAVYVWFGDCR-UHFFFAOYSA-N 255.730 2.758 0 30 CFAC COc1ccc(C2OCCCO2)c(Cl)c1OC 117819 NQKXLLDPDMPSIG-UHFFFAOYSA-N 258.701 2.793 0 30 CFAC CC(C)[C@H]1OCCC[C@@H]1Nc1cc(Cl)ncn1 98113872 OMXGZMIVUXENNK-JOYOIKCWSA-N 255.749 2.746 0 30 CFAC O=C1Nc2ccc(Cl)cc2C(=O)C1(Cl)Cl 173834 RYUQZMPLTZPIIG-UHFFFAOYSA-N 264.495 2.649 0 30 CFAC COc1ccc([C@@H](C)C(=O)O)cc1Br 36173055 XHLLCEDTOQFCFS-ZCFIWIBFSA-N 259.099 2.646 0 30 CFAC O=C(O)[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1 72233172 UGCIWWFJQQRKOR-RNFRBKRXSA-N 259.074 2.776 0 30 CFAC N[C@H]1CN(C(=O)OCc2ccccc2)Cc2ccccc21 261508014 OXRNCHPKDAYCCC-INIZCTEOSA-N 282.343 2.839 0 30 CFAC Cc1nnsc1-c1nc(CSc2ccccn2)no1 105971 KSVDVJNGFITMJN-UHFFFAOYSA-N 291.361 2.584 0 30 CFAC O=C1c2cnccc2C(=O)c2c(Cl)ccc(F)c21 39000584 KAQNQVAZWJUHSN-UHFFFAOYSA-N 261.639 2.650 0 30 CFAC CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2CN)CC1 91303627 AQDVZSQSNSXJET-LBPRGKRZSA-N 268.401 2.763 0 30 CFAC O=C(O)C1=NO[C@@H](c2ccc(Cl)cc2Cl)C1 586028411 QFSFXEICGWCSSZ-SECBINFHSA-N 260.076 2.895 0 30 CFAC Nc1cc(S(=O)(=O)c2ccccc2)ccc1Cl 33609043 PNYNNXFKKSRJJS-UHFFFAOYSA-N 267.737 2.755 0 30 CFAC CC1=CC(=O)O[C@@H]1Oc1ccc(Br)cc1 382701191 OMKYFMGMLKUPKC-NSHDSACASA-N 269.094 2.657 0 30 CFAC NC1=N[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N1 154895 JDIPIUIHXUDIOV-ZIAGYGMSSA-N 299.761 2.551 0 30 CFAC CCNc1nc(=S)[nH]c2sc3c(c12)CCN(C)C3 20432221 SPNHHHSOSSWJSK-UHFFFAOYSA-N 280.422 2.774 0 30 CFAC COCc1cc(=O)oc2cc(OC(C)=O)c(Cl)cc12 93772 OVOHQQJWFJMNIJ-UHFFFAOYSA-N 282.679 2.518 0 30 CFAC CC[C@@H](N)c1cc(OC)c(OC)cc1Br 20426368 SUYDWXGOVRBRSP-SECBINFHSA-N 274.158 2.876 0 30 CFAC C[C@H](N)c1cc(Br)cnc1Br 231234609 WBVBXIAJYNKMND-BYPYZUCNSA-N 279.963 2.626 0 30 CFAC O=C1C[C@H](c2ccccc2)C(=O)N1Cc1cccs1 69097 CYUGJWQDDZQGEH-CYBMUJFWSA-N 271.341 2.791 0 30 CFAC CCOC(=O)[C@H](C(=O)c1ccccc1)C(F)(F)F 118737607 ACIGNEBKPMVJMT-VIFPVBQESA-N 260.211 2.611 0 30 CFAC CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(Cl)n1 98113874 VDAGIWRCCKIILV-MWLCHTKSSA-N 255.749 2.746 0 30 CFAC CCOC(=O)/C=C/c1cccc(Br)c1O 201516519 YASCHXJCRNDQGK-VOTSOKGWSA-N 271.110 2.731 0 30 CFAC COc1ccc2nc(N/C=C3/CCOC3=O)sc2c1 223763286 XKPFLLPWIPGJAF-FPLPWBNLSA-N 276.317 2.548 0 30 CFAC C[C@H]1CC[C@H](C)N1CCCOC(=O)c1ccccc1O 1999277 TVNKQHWRADJSQD-STQMWFEESA-N 277.364 2.812 0 30 CFAC in-man CC(=O)C(C)(C)OC(=O)NCCc1ccc(Cl)cc1 2162736 OXTMXHLOLKBSOX-UHFFFAOYSA-N 283.755 2.976 0 30 CFAC O=C(O[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1 135966 OBJXBGVRIMAFOI-ZDUSSCGKSA-N 265.740 2.591 0 30 CFAC Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)O 299805206 CPVYKUFICQBUSP-UHFFFAOYSA-N 298.459 2.829 0 30 CFAC Nc1ccccc1C(=O)NCC(=O)c1ccccc1Cl 21996385 XNBXRAIIYHFQGC-UHFFFAOYSA-N 288.734 2.535 0 30 CFAC COC(=O)c1c[nH]c(-c2ccc(Br)cc2)n1 51170854 LLGPMSXJJRBHCB-UHFFFAOYSA-N 281.109 2.626 0 30 CFAC in-vitro CCOC(=O)[C@@H](C(=O)c1ccccc1)C(F)(F)F 118737604 ACIGNEBKPMVJMT-SECBINFHSA-N 260.211 2.611 0 30 CFAC C[C@@H](C(=O)c1ccccc1)N(CCO)Cc1ccccc1 50514213 WOYPUTZMXTXJKC-HNNXBMFYSA-N 283.371 2.752 0 30 CFAC in-vitro CN(CCCC(=O)O)Nc1ccc2ccccc2c1 2265362062 VXNLJVVWKPUORV-UHFFFAOYSA-N 258.321 2.963 0 30 CFAC c1ccc2cc(NCCCN3CCOCC3)ccc2c1 31848257 ZINOQNYPQHETBN-UHFFFAOYSA-N 270.376 2.974 0 30 CFAC CC1(C)CON(Cc2cc(O)c(Cl)cc2Cl)C1=O 75251868 RMOSHMUNCBVLBF-UHFFFAOYSA-N 290.146 2.999 0 30 CFAC CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)O)ccc2C1 113646377 OVQFGIGAFBTYGP-CYBMUJFWSA-N 291.347 2.767 0 30 CFAC C[C@H](c1ccc(C(F)(F)F)nc1)[S@](C)(=N)=O 114402521 SDEFOCWEOKCRJR-ADNUTGFCSA-N 252.261 2.838 0 30 CFAC CN(C)C[C@@H]1CCCC[C@@]1(O)OCc1ccccc1 33867434 RZQYCLWPTJRMML-JKSUJKDBSA-N 263.381 2.644 0 30 CFAC Cc1nn2cnnc2c(C)c1CC=Cc1ccccc1 2265279449 GYLZHQFHVTWNLJ-UHFFFAOYSA-N 264.332 2.997 0 30 CFAC Nc1ccc(Nc2ccc(Cl)cc2)c(S(=O)(=O)O)c1 2569307 NAQNRFQILKDCBK-UHFFFAOYSA-N 298.751 2.913 0 30 CFAC COC(=O)[C@@H]1CCN[C@H](c2cccc(Cl)c2)C1 257845358 ADFBOZGIGWDLPK-PWSUYJOCSA-N 253.729 2.554 0 30 CFAC Oc1cc(O)cc([C@H]2CCc3c(O)cc(O)cc3O2)c1 14728015 WXLIFFAJEOTPPL-CQSZACIVSA-N 274.272 2.575 0 30 CFAC CCOC(=O)C(Cc1ccc(C)c(C)c1)C(=O)OCC 22006217 LYGVZJCEQZMAOO-UHFFFAOYSA-N 278.348 2.588 0 30 CFAC COc1cc2nc(C(=O)O)cc(Cl)c2cc1OC 77255171 NKAFCGDZPKOKRT-UHFFFAOYSA-N 267.668 2.604 0 30 CFAC CC[C@]1(N)CCCN(C(=O)OCc2ccccc2)C1 685945589 BDHPKIILCCGPJS-HNNXBMFYSA-N 262.353 2.527 0 30 CFAC CO[C@@](C(=O)n1cccn1)(c1ccccc1)C(F)(F)F 223718654 WTCHFJDDWJCQIF-GFCCVEGCSA-N 284.237 2.628 0 30 CFAC Cc1cc(-c2nn(C)c(=O)c3ccccc23)cc(C)c1O 13130057 JEUAWUYFBSCYKG-UHFFFAOYSA-N 280.327 2.923 0 30 CFAC COC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 28349471 WDQRGVNLHQEIOT-HNNXBMFYSA-N 264.321 2.574 0 30 CFAC Cc1csc(CCNc2ccc(C(=O)O)cc2)n1 63135726 IDBYYWIZMYKVKZ-UHFFFAOYSA-N 262.334 2.804 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)CC[C@@H]2C1 96897123 MNWQGQXNDLLERG-WDEREUQCSA-N 253.342 2.613 0 30 CFAC Cc1cc(C(=O)CN(CP)C(C)(C)C)ccc1O 238791275 YIOLTFVFOBQQSM-UHFFFAOYSA-N 267.309 2.816 0 30 CFAC in-vitro O[C@H](c1ccccc1)c1ccc(Br)cn1 35323331 RSSXJOWWDMIIAJ-GFCCVEGCSA-N 264.122 2.926 0 30 CFAC COC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 51330801 MZKILUYDQDRISU-UHFFFAOYSA-N 250.685 2.527 0 30 CFAC in-vitro O=C(CC1CCC2(CCNCC2)CC1)N1CCCC1 107499610 QPBOCPVLGKPZQC-UHFFFAOYSA-N 264.413 2.559 0 30 CFAC OCc1sc(Br)cc1Br 90729144 VJIHIMVERQLAET-UHFFFAOYSA-N 271.961 2.765 0 30 CFAC CC1=CC(=O)O[C@H]1Oc1ccc(Br)cc1 382701185 OMKYFMGMLKUPKC-LLVKDONJSA-N 269.094 2.657 0 30 CFAC CCOC(=O)C(F)(F)c1cnc(C(F)(F)F)s1 233670541 IPHKGNSCAAOZPQ-UHFFFAOYSA-N 275.198 2.817 0 30 CFAC Ic1n[nH]cc1-c1ccccc1 66054593 AJCZFZMBKGJTRS-UHFFFAOYSA-N 270.073 2.681 0 30 CFAC COC(=O)c1c(C)cc(Br)cc1OC 117812652 GYAGPJTTWHIFFA-UHFFFAOYSA-N 259.099 2.553 0 30 CFAC CS(=O)(=O)c1ccc(Sc2ccccc2F)c(N)c1 346309 XOFKJIXBVNTBNJ-UHFFFAOYSA-N 297.376 2.963 0 30 CFAC CN(C)C=CC(=O)c1ccc(Br)s1 12366956 BBLJXHPQUXMDFA-UHFFFAOYSA-N 260.156 2.769 0 30 CFAC CC(=NOC(=O)c1ccccc1F)c1nccs1 254846942 QCDCIOIHSPGEJE-UHFFFAOYSA-N 264.281 2.863 0 30 CFAC Clc1ncc(N2CCO[C@@H]3CCCC[C@H]32)c(Cl)n1 1504000322 QLHOTHZQEUNVBH-PSASIEDQSA-N 288.178 2.931 0 30 CFAC COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2N)cc1 118648876 YKRVJJLOBWHORJ-ZWKOTPCHSA-N 282.387 2.622 0 30 CFAC Brc1nc(Br)n2ccsc12 141336920 XONJQWXYPFMMAC-UHFFFAOYSA-N 281.960 2.921 0 30 CFAC CN(C)P(c1ccc(Br)cc1)N(C)C 145432296 UWBVSJOOWAJUKT-UHFFFAOYSA-N 275.130 2.510 0 30 CFAC Cc1ccc([C@H]2N[C@H](C(=O)O)C(C)(C)S2)cc1 85298 AXGIZGVQGTZGBP-MNOVXSKESA-N 251.351 2.562 0 30 CFAC Cc1nn(-c2ccc(Cl)cc2)c(=O)c2noc(C)c12 123465 PICKKDSMMBAMHE-UHFFFAOYSA-N 275.695 2.644 0 30 CFAC CC(C)(C)C(=O)Nc1ccc(SCC(=N)N)cc1 83255243 GQFDMEPBNZKUEB-UHFFFAOYSA-N 265.382 2.699 0 30 CFAC in-vitro CN(CC(=O)O)[C@@H](c1ccccc1)c1ccc(F)cc1 106036165 CTOKJTZIUFRMIA-INIZCTEOSA-N 273.307 2.932 0 30 CFAC Nc1c([N+](=O)[O-])cc(Br)c2c1CCCC2 203373830 URRLDFOUHKLQLS-UHFFFAOYSA-N 271.114 2.818 0 30 CFAC O=C(c1ccnc(Br)c1)C(F)(F)F 95761261 FSFFIPCFQCZMON-UHFFFAOYSA-N 254.005 2.589 0 30 CFAC COC(=O)[C@@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 396151830 AYGNLFWZEHRYBL-BLLLJJGKSA-N 297.395 2.977 0 30 CFAC CCC(=O)O[C@@]1(c2cccc(OC)c2)CCN(C)[C@@H]1C 33864869 MSOHVPSPIRBWAL-WBMJQRKESA-N 277.364 2.568 0 30 CFAC COC(=O)[C@H]1[C@H]2C=C[C@@H](C2)N1[C@H](C)c1ccccc1 109163284 PWUWUKQPSOGOPL-UQOMUDLDSA-N 257.333 2.550 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2O[C@]2(c2ccccc2)C1 642882261 LBLJHKOVKAWICR-WFASDCNBSA-N 261.321 2.531 0 30 CFAC CC(C)(C)C(=O)OCc1noc(-c2ccccc2)n1 76764 AIQNNGFYGVAQEE-UHFFFAOYSA-N 260.293 2.826 0 30 CFAC C[C@H]1CN(c2ccc(Cl)cc2C=O)C[C@H](C)O1 98089601 DCYDQVKYKLVSHT-UWVGGRQHSA-N 253.729 2.766 0 30 CFAC COC(=O)c1cncc(-c2cccc(Br)n2)c1 91351991 DUPGRKQQUYHHKF-UHFFFAOYSA-N 293.120 2.693 0 30 CFAC CC[C@H](C)OC(=O)[C@H](C)[C@@H](C)C(=O)O[C@H](C)CC 32157473 LQWRRTKDUFSMHR-WRWGMCAJSA-N 258.358 2.942 0 30 CFAC CC(C)(C)OC(=O)n1ccc(I)c1 34530047 CBOOWAKRLGAOKK-UHFFFAOYSA-N 293.104 2.876 0 30 CFAC C[C@@H](Oc1cc(N)ncc1Br)C1CCC1 719800028 XICHHZUMCYVTSR-SSDOTTSWSA-N 271.158 2.994 0 30 CFAC C[C@H]1CCCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)C1 102934287 FDMGLVGIDWLXTC-CYDGBPFRSA-N 252.427 2.781 0 30 CFAC CC(C)(C)OC(=O)N1C(C)(C)CC(N)CC1(C)C 117653768 HWFMOWCEAGXSIV-UHFFFAOYSA-N 256.390 2.902 0 30 CFAC CCCCOP(=O)(OCCCC)OP(=O)(O)O 90447851 WBJBEMDHFMUSAY-UHFFFAOYSA-N 290.189 2.837 0 30 CFAC O=C(Oc1ccccc1N1CCOCC1)c1cccs1 147385 PRNLIPQQEQTSTQ-UHFFFAOYSA-N 289.356 2.804 0 30 CFAC Cc1onc(-c2ccccc2)c1CNC(=O)C1CC1 105465 MRKQQFZXCRIREU-UHFFFAOYSA-N 256.305 2.676 0 30 CFAC CC(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 104252779 ILAOUOUXCAJISP-LRDDRELGSA-N 269.300 2.683 0 30 CFAC CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(N)n1 44029170 MITHMCKUHNWSQI-VIFPVBQESA-N 271.386 2.947 0 30 CFAC CCOC(=O)CSc1nc2ccccc2n1CC 417170 XBERPHLDSJXXRU-UHFFFAOYSA-N 264.350 2.711 0 30 CFAC Cc1ccc(F)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100393832 WJXDKPWTSGNFDO-NUZBWSBOSA-N 289.306 2.596 0 30 CFAC CSC[C@@H](CC(=O)c1ccc(C)cc1)C(=O)O 138693481 WRIZBWMOURRWRW-LLVKDONJSA-N 252.335 2.632 0 30 CFAC CC(C)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1 33825348 XGWPVNRHHAOQSS-UHFFFAOYSA-N 290.407 2.579 0 30 CFAC CC(C)C[C@@H](C)NC[C@@H](C)OC(=O)c1ccc(N)cc1 1715248 MQBUEWKGVRLTTI-CHWSQXEVSA-N 278.396 2.838 0 30 CFAC O=C(CC(=O)c1cc(F)ccc1O)c1ccccc1 100353123 UYKBHLRBETZCOL-UHFFFAOYSA-N 258.248 2.987 0 30 CFAC O=C1CCCN1Cc1ccc(Br)cc1 42418732 XHILZRONKPMVRX-UHFFFAOYSA-N 254.127 2.572 0 30 CFAC COc1ccc(NC(=O)Nc2ccc(F)cc2)cn1 157929 JLKFUGQEGMBIEP-UHFFFAOYSA-N 261.256 2.873 0 30 CFAC CCN(CC)CCC[C@@H](C)OC(=O)c1ccc(N)cc1 1853786 WOMLUWFEGZNNQJ-CYBMUJFWSA-N 278.396 2.936 0 30 CFAC CC(=O)c1oc2ccc(C3=CC(=O)OC3)cc2c1C 5765040 NVRKEBYMSCNBSF-UHFFFAOYSA-N 256.257 2.884 0 30 CFAC Brc1nscc1I 6320763 FRDAIETTXKDGMN-UHFFFAOYSA-N 289.923 2.510 0 30 CFAC CCC1CCC(Oc2ccc(S(N)(=O)=O)cc2)CC1 85076467 AIBYPACBDGFXJR-UHFFFAOYSA-N 283.393 2.682 0 30 CFAC CCCC[C@@]1(Cl)C(=O)c2cccc3c2N(CC3)C1=O 39123873 BAUOHOMSEPGRII-OAHLLOKOSA-N 277.751 2.940 0 30 CFAC NC1=N[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)N1 154900 JDIPIUIHXUDIOV-UONOGXRCSA-N 299.761 2.551 0 30 CFAC CC(=O)c1cccc(OC[C@H](O)CN(C(C)C)C(C)C)c1 1998752 NIDGVUXXKZQYKG-MRXNPFEDSA-N 293.407 2.748 0 30 CFAC CCN(CCN1C(=O)c2ccccc2C1=O)c1ccccc1 5139561 JXOIGNIYEXYEGW-UHFFFAOYSA-N 294.354 2.809 0 30 CFAC c1ccc(-c2cc(OCCN3CCCCC3)n[nH]2)cc1 33890864 KFNUSWOOWOEQAC-UHFFFAOYSA-N 271.364 2.941 0 30 CFAC O=C(O)Cc1ccc(OC(F)(F)F)c(Br)c1 616576298 QGWSDXJEDWQOSF-UHFFFAOYSA-N 299.042 2.975 0 30 CFAC CCOC(=O)C(=O)OCC[C@@H](C)CCCC(C)C 5854620 CKMYZVFRXOQCPF-LBPRGKRZSA-N 258.358 2.945 0 30 CFAC O=C(O)c1cc(OC(F)F)ccc1Br 128742928 DOFWCBUILGUUQF-UHFFFAOYSA-N 267.025 2.749 0 30 CFAC O=[S@](O)c1cc(Br)cc(OC(F)F)c1 2265384639 DEGUMAMFWMEVNH-UHFFFAOYSA-N 287.081 2.631 0 30 CFAC COc1cc2cc(C(=O)O)ccc2c(OC)c1OC 33605725 UDAHTEIDHNWRAS-UHFFFAOYSA-N 262.261 2.564 0 30 CFAC Cc1cc(NC(=O)c2csc(-c3cc(C)on3)n2)no1 123848 BQVLRWSHHCPOMN-UHFFFAOYSA-N 290.304 2.655 0 30 CFAC O=C1CC2(CC2)Oc2ccc(Br)cc21 117691565 QEABFRFBTSFXRE-UHFFFAOYSA-N 253.095 2.947 0 30 CFAC CC(=O)O[C@H]1C[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1)N2C 85849349 OGPKDZFHCUWZQQ-QZWWFDLISA-N 273.376 2.644 0 30 CFAC CNC(=O)c1ccccc1Sc1ccccc1CO 173172 BHDLHPHYDLRPIX-UHFFFAOYSA-N 273.357 2.690 0 30 CFAC CC[C@]1(c2ccccc2)OC[C@@H]([C@H]2CCCCN2)O1 26376398 INOYCBNLWYEPSB-PMPSAXMXSA-N 261.365 2.807 0 30 CFAC in-man Cc1cc(C)c(NC(=S)NC(C)(C)CO)c(C)c1 71882 LZDUJCUKJHGWJK-UHFFFAOYSA-N 266.410 2.669 0 30 CFAC CC(C)(C)OC(=O)N1Cc2nccc(Cl)c2C1 95764179 SVEYLIJMWPIFQK-UHFFFAOYSA-N 254.717 2.986 0 30 CFAC Cn1cc(C(=O)c2cccc(Cl)c2)cc1C=NO 254735760 VPULOGSWHHBAOC-UHFFFAOYSA-N 262.696 2.718 0 30 CFAC CCC(=O)OCC(C)(C)[C@H](OC(=O)CC)C(C)C 5768248 BBXVZOFESFUKEH-CYBMUJFWSA-N 258.358 2.944 0 30 CFAC O=C(Oc1cccc(F)c1F)c1ccc2nonc2c1 171006 PEDYQXQCNQZWKE-UHFFFAOYSA-N 276.198 2.720 0 30 CFAC CC[C@H](C)OC(=O)[C@H](C)[C@H](C)C(=O)O[C@H](C)CC 32157467 LQWRRTKDUFSMHR-IWDIQUIJSA-N 258.358 2.942 0 30 CFAC NCc1cnc(Cc2cccc(Br)c2)s1 40996530 NDSCMQFOBWGTFA-UHFFFAOYSA-N 283.194 2.955 0 30 CFAC CO[C@](C(=O)n1cccn1)(c1ccccc1)C(F)(F)F 223718623 WTCHFJDDWJCQIF-LBPRGKRZSA-N 284.237 2.628 0 30 CFAC Cc1cc(-c2c(C(=O)O)c(C)nn2-c2ccccc2)no1 124025 LVLUWTLOFSLWEG-UHFFFAOYSA-N 283.287 2.842 0 30 CFAC O=C1OCCN=C(c2ccccc2)c2ccccc21 17780486 XEWLRZJJSSLIKH-UHFFFAOYSA-N 251.285 2.694 0 30 CFAC N#Cc1cnn2c(C=Cc3ccc(F)cc3)ccnc12 4089905 AZCRNKPOXGYYPZ-UHFFFAOYSA-N 264.263 2.910 0 30 CFAC Cc1cc2c(nc(Br)n2C)c(Cl)n1 35855965 ZETOQYXSDRCQEO-UHFFFAOYSA-N 260.522 2.693 0 30 CFAC C[C@]12CC=C3[C@@H](CC=C4C=C(O)C=C[C@@H]43)[C@@H]1C[C@@H](O)[C@@H]2O 263584238 NIYIKOPGGOVROK-ZIVXASGVSA-N 286.371 2.639 0 30 CFAC Cc1ccccc1[S@@](=O)c1ccccc1C(=O)O 173134 IBPHGIZYRDKADS-SFHVURJKSA-N 260.314 2.860 0 30 CFAC O=C(O)CC1(CC(=O)NCc2ccoc2)CCCCC1 129672 DRICAUCBFLTKRK-UHFFFAOYSA-N 279.336 2.711 0 30 CFAC Cn1nccc1NC(=O)Nc1cccc(Br)c1 116529 VLJWDLOTMYGPSY-UHFFFAOYSA-N 295.140 2.827 0 30 CFAC O=C1Nc2ccccc2S[C@@H]1[C@@H](C(=O)O)c1ccccc1 101584 MLFZVXAQHLMAKF-UONOGXRCSA-N 299.351 2.968 0 30 CFAC O=C(O)C(F)(F)Cc1ccc(Br)cc1 238675808 LZSJMGOJFLXORI-UHFFFAOYSA-N 265.053 2.712 0 30 CFAC Brc1cncnc1OCc1ccccc1 90782706 YGEVRYVDWYTABG-UHFFFAOYSA-N 265.110 2.818 0 30 CFAC CC(C)(C)OC(=O)N1C(=O)CC[C@]1(C)C(=O)OC(C)(C)C 115770869 ORKNGPXCDFIMEM-OAHLLOKOSA-N 299.367 2.644 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)CCC[C@@H]2C1 210915766 XBDUKKODGGWYIN-MNOVXSKESA-N 253.342 2.613 0 30 CFAC COc1cccc(COc2ccc(N)cc2Cl)n1 70092867 NRQNGGYQCJFPFP-UHFFFAOYSA-N 264.712 2.905 0 30 CFAC in-vitro O=S(=O)(NCC1CC1)c1cc(Cl)cc(Cl)c1 91206 DLPYSOHKEICUBY-UHFFFAOYSA-N 280.176 2.682 0 30 CFAC CCCC[C@H](OC(C)=O)[C@H]1CCC[C@H]1OC(C)=O 256090348 ONAHSEWODDXPPF-HZSPNIEDSA-N 256.342 2.840 0 30 CFAC CSc1nc2ccc(C)cc2c(=O)n1-c1cccnc1 74314 HUAKUWIFJKHPTJ-UHFFFAOYSA-N 283.356 2.811 0 30 CFAC CON=C[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 254288066 LXVBOSFZIQAIKP-ZCFIWIBFSA-N 277.633 2.993 0 30 CFAC O=C1COc2cc3cc(C(F)(F)F)cnc3cc2N1 2265385550 JWIAQUDHUKDSJA-UHFFFAOYSA-N 268.194 2.585 0 30 CFAC O=C(NC(=O)c1ccc(F)cc1F)Nc1ccccc1 171821 YISZKLZLFROSOE-UHFFFAOYSA-N 276.242 2.927 0 30 CFAC N=C(NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cn1 20230232 IWJRNHSAMOGAKW-UHFFFAOYSA-N 293.248 2.856 0 30 CFAC Oc1nnc(-c2ccccc2)nc1Cc1ccccc1 39213508 QMQNUSSPTHZCGT-UHFFFAOYSA-N 263.300 2.835 0 30 CFAC NCc1cccc(Br)c1OC(F)F 42411353 VIRFTQNMADLDKQ-UHFFFAOYSA-N 252.058 2.509 0 30 CFAC in-vitro NNc1cccc(C(F)(F)F)c1Br 238581792 IDIXKKLNKPFEDL-UHFFFAOYSA-N 255.037 2.754 0 30 CFAC CC[C@H](CO)NC(=S)Nc1ccc(C)c(Cl)c1 71808 IVMCLZJXRJGJED-SECBINFHSA-N 272.801 2.706 0 30 CFAC CN(C)c1ccccc1C[S@@](=O)c1nc2ccccc2[nH]1 5115385 JVIHSTYYPRUSFG-NRFANRHFSA-N 299.399 2.937 0 30 CFAC CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(Cl)ncn1 98113873 OMXGZMIVUXENNK-CABZTGNLSA-N 255.749 2.746 0 30 CFAC Cc1nnsc1C(=O)Nc1ccc2ccccc2n1 153102 YYWBZXDITVPNJP-UHFFFAOYSA-N 270.317 2.647 0 30 CFAC Cn1nc(NC(=O)c2ccco2)c2c(F)cccc21 114732 FTHCCGNIVFJSFM-UHFFFAOYSA-N 259.240 2.558 0 30 CFAC FC(F)CNc1cccc(I)c1 37755844 CQXDEAOTNRLGCB-UHFFFAOYSA-N 283.059 2.968 0 30 CFAC CC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C 38328457 JTVVEDNAXIRUNL-JTQLQIEISA-N 269.341 2.851 0 30 CFAC COc1ccc(-c2cn3c(C(=O)O)csc3n2)cc1 40440933 ZKOICHWBFIBOLA-UHFFFAOYSA-N 274.301 2.770 0 30 CFAC CC1(C)CN[C@H]1C1CCN(Cc2ccccc2)CC1 238854027 MDWGXNBHOPYZDH-INIZCTEOSA-N 258.409 2.897 0 30 CFAC O=C(O)CCCNC(=O)CCCC[C@@H]1CCSS1 2001330 PZSMUPGANZGPBF-SNVBAGLBSA-N 291.438 2.682 0 30 CFAC N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@H]2NC(=O)OCc1ccccc1 2265360063 QXKIUOPJEPALLD-GEEKYZPCSA-N 288.391 2.819 0 30 CFAC CCCC[C@@H](CC)C(=O)NCCCCCC(=O)O 5821716 GRPDJDFTHPKLAT-GFCCVEGCSA-N 257.374 2.964 0 30 CFAC Cc1ccc(OC[C@H](O)OCCc2ccccc2)cc1 6070953 DHQFANPUVQZDMT-QGZVFWFLSA-N 272.344 2.952 0 30 CFAC O=C(C(=O)C(F)(F)F)c1ccc(Br)cc1 114407285 MRBJSYCPVXUABQ-UHFFFAOYSA-N 281.027 2.763 0 30 CFAC O=C(Oc1ccc2c(c1)OCC2=O)c1cccs1 109428 YLIFCBMXBVQKHV-UHFFFAOYSA-N 260.270 2.542 0 30 CFAC CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](O)CO 15146175 CQBOBCAMYWRTNO-CFEYUBAXSA-N 250.338 2.505 0 30 CFAC COc1cc(NC(=S)N(C)C)c(OC)cc1Cl 13659000 JGMFHSHJZPIOND-UHFFFAOYSA-N 274.773 2.616 0 30 CFAC CCOC(=O)c1ccc(-n2c(C)nc3cnccc32)cc1 71873540 UFJSXTUSACIAML-UHFFFAOYSA-N 281.315 2.906 0 30 CFAC CC(C)(C)C(=O)Nc1nc(Br)ccc1C=O 309378103 WNGDPEQVEKIOMO-UHFFFAOYSA-N 285.141 2.641 0 30 CFAC CC(C)N[C@H]1COc2cc(Br)ccc21 87015757 JZLPMPZTYSYAGA-JTQLQIEISA-N 256.143 2.881 0 30 CFAC COc1cc(OC)c(-c2ncccc2C#N)c(OC)c1 38340546 ORXLHJSELCFUPZ-UHFFFAOYSA-N 270.288 2.646 0 30 CFAC O=C(OC1OCCO1)c1cccc(-c2ccccc2)c1 604934818 FDSZIPVJGRNDRI-UHFFFAOYSA-N 270.284 2.841 0 30 CFAC CC[C@H](O)CNC(=O)C(c1ccccc1)c1ccccc1 5922967 KRWSLCYLYQEVCL-INIZCTEOSA-N 283.371 2.706 0 30 CFAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CCO)C2 113683889 CBWQOIMZVQPPSY-RYUDHWBXSA-N 255.358 2.547 0 30 CFAC CCCCOc1cccc(C(=O)NCCN2CCCC2)c1 1855580 IJZPZVKTRDFYGV-UHFFFAOYSA-N 290.407 2.691 0 30 CFAC C[C@H](Br)C(=O)C[C@@H](C(=O)O)c1ccccc1 6020031 DNDCKTJRGLMEAR-WCBMZHEXSA-N 285.137 2.597 0 30 CFAC COc1cccc(CC(=O)O)c1NC(=O)OC(C)(C)C 20446680 ZUUWNMRRGBGYKJ-UHFFFAOYSA-N 281.308 2.669 0 30 CFAC CCCC(=O)O[C@@H](C)Cc1ccc(C(=O)O)cc1 39117848 BHPWDSDRNHHEOQ-JTQLQIEISA-N 250.294 2.659 0 30 CFAC Cc1csc2c(N3CCSCC3)ncnc12 82163 WMCGAVUVOORSMX-UHFFFAOYSA-N 251.380 2.553 0 30 CFAC CCCC[C@H](OC(C)=O)[C@H]1CCC[C@@H]1OC(C)=O 33608271 ONAHSEWODDXPPF-RDBSUJKOSA-N 256.342 2.840 0 30 CFAC CCOc1cc(N)ccc1C(=O)OCCCN(CC)CC 5316047 WGNGHMVPEMPZBH-UHFFFAOYSA-N 294.395 2.556 0 30 CFAC CC(C)(C)OC(=O)n1ccc2nc(Br)cnc21 299890241 WMQQTSBKXBKLBB-UHFFFAOYSA-N 298.140 2.977 0 30 CFAC CCOCC(=O)N(c1c(C)cccc1CC)[C@@H](C)COC 238791296 OIVFMFRNCWZHCK-AWEZNQCLSA-N 293.407 2.962 0 30 CFAC CCOC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1 35079285 YPJQHNRUYWGMGQ-UHFFFAOYSA-N 277.242 2.821 0 30 CFAC COc1ccc(CCCCCNCCS)cc1 96328058 BLDBHRGHAWHGBG-UHFFFAOYSA-N 253.411 2.927 0 30 CFAC CC[C@]1(c2ccccc2)OC[C@H]([C@H]2CCCCN2)O1 26376399 INOYCBNLWYEPSB-OAGGEKHMSA-N 261.365 2.807 0 30 CFAC in-man CC[C@@H](CO)N[C@H](C)c1ccccc1Br 20195084 BTQDVWIEXHFBCH-ZJUUUORDSA-N 272.186 2.871 0 30 CFAC COc1ccc(C2(C(=O)O)CC2)cc1Br 71609623 LYGXMBZITQVKIZ-UHFFFAOYSA-N 271.110 2.574 0 30 CFAC Cc1nc([C@@H]2COc3ccccc3O2)sc1C(=O)O 168809 YZKRTPGIMBIDMW-JTQLQIEISA-N 277.301 2.662 0 30 CFAC COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1 34089483 DJWNFMMYIQIDBH-UHFFFAOYSA-N 292.379 2.752 0 30 CFAC Clc1nc(Cl)c2c(Br)ccn2n1 143468681 AHSHMRVLPMSFJP-UHFFFAOYSA-N 266.913 2.799 0 30 CFAC CCCCCc1c(C)nc(-c2ccccn2)[nH]c1=O 8648138 MLJHHQWERFIKII-UHFFFAOYSA-N 257.337 2.873 0 30 CFAC O=C(CCOc1ccc(F)cc1)Nc1nccs1 107271 QMZRWTIZCROREY-UHFFFAOYSA-N 266.297 2.690 0 30 CFAC O=C(O)c1[nH]nc2cc(Cl)cc(Br)c12 14984069 WVSPJXZAIMJWQC-UHFFFAOYSA-N 275.489 2.677 0 30 CFAC FC1(F)Oc2ccc(NC3CCOCC3)cc2O1 36303949 DQMFGLTZGMTMNC-UHFFFAOYSA-N 257.236 2.599 0 30 CFAC O=C(O)C1(Cc2ccc(Br)cc2)CC1 49845194 ABXVZMQHFZWQCA-UHFFFAOYSA-N 255.111 2.856 0 30 CFAC CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)C[C@H](O)C1 921332275 MLBIJMSTCMSNAF-SAZUREKKSA-N 277.364 2.604 0 30 CFAC O=C(O)c1cc(Br)nc(-c2ccccn2)c1 2524960 DPSRYFHRRBRKDI-UHFFFAOYSA-N 279.093 2.604 0 30 CFAC CCOC(=O)c1csc(I)c1 82563540 KWUIVKFNXQGVSY-UHFFFAOYSA-N 282.102 2.529 0 30 CFAC in-vitro CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CC=CCC1)C(=O)O 44294814 PABLWCRQESJOMP-MNOVXSKESA-N 269.341 2.711 0 30 CFAC COc1cc2c(cc1Br)CCC[C@H]2N 238398352 YLGNAIPBTRAJLB-SNVBAGLBSA-N 256.143 2.794 0 30 CFAC NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 226213491 LSNROCMCYXMTRN-UHFFFAOYSA-N 266.222 2.866 0 30 CFAC CC(C)(C)c1nn(Cc2ccccc2)cc1C(=O)O 26511251 ICNBECBCVBRUIP-UHFFFAOYSA-N 258.321 2.927 0 30 CFAC CCCc1ccc(N)c(I)c1 135956103 DTEWTHJIDLKRFR-UHFFFAOYSA-N 261.106 2.826 0 30 CFAC CC1(C)CCC[C@]2(O)Cc3c(O)ccc(O)c3C[C@@H]12 13407984 STRGITGQLGORKH-HOCLYGCPSA-N 262.349 2.754 0 30 CFAC COc1ccc(OC)c(NC(=O)C=Cc2ccco2)c1 2265239480 FUECEMUHDWAETD-UHFFFAOYSA-N 273.288 2.949 0 30 CFAC CCOC(=O)C[C@@H](NCc1ccccc1)C(F)(F)F 146506337 KJXNJNVKUIYFNX-LLVKDONJSA-N 275.270 2.660 0 30 CFAC O=C(Nc1ccc2nsnc2c1)[C@@H]1Cc2ccccc2O1 12340863 QXMXVFBHKPSQJL-AWEZNQCLSA-N 297.339 2.634 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](CC(C)(C)C(F)F)C(=O)O 585143227 LACSKDASCVKEFB-ZETCQYMHSA-N 281.299 2.646 0 30 CFAC COC(=O)c1cc(Br)c(OC)cc1Cl 260138733 IOOKUICTJWOOOK-UHFFFAOYSA-N 279.517 2.898 0 30 CFAC C[C@H]1CCC[C@H](C)N1C(=S)NCc1ccco1 13658799 WRSFJZYRCZSDPG-QWRGUYRKSA-N 252.383 2.917 0 30 CFAC CCCN(CCC)C(=O)COCc1ccc(OC)cc1 5647586 OVSNUWZWBXXBSE-UHFFFAOYSA-N 279.380 2.860 0 30 CFAC O[C@@H]1CCCC[C@H]1N1CC[C@@H](OCc2ccccc2)C1 35874321 KOZXDMVFYPKCCY-BRWVUGGUSA-N 275.392 2.581 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1Cc1ccccc1 204264669 IIMHGRMKNJCCNO-ZIAGYGMSSA-N 276.380 2.566 0 30 CFAC CCOC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 4336477 DFUZNDJMFAJHKC-UHFFFAOYSA-N 282.409 2.576 0 30 CFAC O=C(Nc1cn[nH]c1)c1ccccc1C(F)(F)F 35247683 AJIYMXAGEBSSPE-UHFFFAOYSA-N 255.199 2.681 0 30 CFAC CCCOC(NC(=O)CC)(C(F)(F)F)C(F)(F)F 2937611 FJGABSXCMIRBPK-UHFFFAOYSA-N 281.196 2.760 0 30 CFAC OCCCNC(=S)Nc1cc(Cl)ccc1Cl 3119284 NAWIBXICULYEPW-UHFFFAOYSA-N 279.192 2.662 0 30 CFAC CC(C)(C(=O)O)c1cccc(Br)c1F 75902511 KHIULJUMLDRVOW-UHFFFAOYSA-N 261.090 2.950 0 30 CFAC O=C1Nc2ccccc2S[C@H]1[C@H](C(=O)O)c1ccccc1 101582 MLFZVXAQHLMAKF-KGLIPLIRSA-N 299.351 2.968 0 30 CFAC CCOC(=O)c1c(NC(=O)OC(C)(C)C)ccn1C 321007808 RCLKUQDQHNDNHL-UHFFFAOYSA-N 268.313 2.549 0 30 CFAC COC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 260351487 HYDKGXZAXQZGPZ-UHFFFAOYSA-N 291.347 2.766 0 30 CFAC Cc1ccccc1-c1ccc(C[C@@H](N)C(=O)O)cc1 44288219 UTGOGZMACBMWOF-OAHLLOKOSA-N 255.317 2.616 0 30 CFAC CC(C)(COCc1ccccc1)[C@H]1CC(=O)CCO1 224741826 XDDHCQSORAGPNL-OAHLLOKOSA-N 262.349 2.978 0 30 CFAC O=S(=O)(O)c1ccc2cc3nc(S)oc3cc2c1 33753903 SOXCZUAFEFVSCH-UHFFFAOYSA-N 281.314 2.516 0 30 CFAC Cc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C 100393668 GTVFZQYNCFVNOD-ZIAGYGMSSA-N 257.333 2.983 0 30 CFAC C[C@H]1CNCCC12CCN(C(=O)OC(C)(C)C)CC2 107782285 ZSHKWSYZEMGOLD-LBPRGKRZSA-N 268.401 2.633 0 30 CFAC CCCCCCN1C(=O)N[C@@H](c2ccccc2)C1=O 3046214 SHDZFPAJJUXYKJ-ZDUSSCGKSA-N 260.337 2.860 0 30 CFAC C[C@]1(C(=O)O)CCN(c2c(F)c(F)c(F)c(F)c2F)C1 62933505 YZYHAHZYFHKETG-LBPRGKRZSA-N 295.207 2.683 0 30 CFAC CCOC(=O)c1cc2cc(C)ccc2nc1C(=O)OCC 32099589 FMXXGQSZIJSYQR-UHFFFAOYSA-N 287.315 2.897 0 30 CFAC COC(=O)c1cc(Br)cnc1C(F)F 238340942 GCOQRWMANCXWMC-UHFFFAOYSA-N 266.041 2.568 0 30 CFAC COC(=O)CCC[C@@H](OC)c1cccc(OC)c1 238856753 XCARDCMWFPGKNJ-CYBMUJFWSA-N 252.310 2.726 0 30 CFAC CC(C)CCNS(=O)(=O)C=Cc1ccccc1 6887459 SSRDJZPCRFRCIL-UHFFFAOYSA-N 253.367 2.623 0 30 CFAC CC(=O)N/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O 128277 HSYXRTFLJZJGAM-BJMVGYQFSA-N 274.103 2.555 0 30 CFAC CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2 26574229 PFNCLPHRNJHYJA-UHFFFAOYSA-N 279.343 2.542 0 30 CFAC Cn1nc(-c2ccccc2Cl)nc1Br 218800935 CHNAFJJJWGZXIE-UHFFFAOYSA-N 272.533 2.898 0 30 CFAC CS(=O)(=O)c1cc(Br)ccc1Cl 142505118 YHAJNZXMJKNKCN-UHFFFAOYSA-N 269.547 2.506 0 30 CFAC CCOC(=O)c1ccc(N=c2scc(C)n2C)cc1 334157466 ZDSZDSNMGTYBEE-UHFFFAOYSA-N 276.361 2.804 0 30 CFAC CN(C)CCCC(=O)c1ccc(Br)cc1 37322855 KRKVNAATYXNGFO-UHFFFAOYSA-N 270.170 2.974 0 30 CFAC CCOC(=O)c1csc([C@@H]2Cc3ccccc3O2)n1 123999146 FWRGWDHYODPULM-LBPRGKRZSA-N 275.329 2.996 0 30 CFAC Clc1ccc(C=Cc2ccnc(Cn3cncn3)n2)cc1 2265279079 QIFOGWZSXWHDPE-UHFFFAOYSA-N 297.749 2.940 0 30 CFAC CCOP(=O)(OCC)c1ccc(OC)c(OC)c1 2518182 OVISEKLQWFNJGP-UHFFFAOYSA-N 274.253 2.595 0 30 CFAC NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1 68222 XSTWJTDCFBHWAR-UHFFFAOYSA-N 288.734 2.734 0 30 CFAC O=S(=O)(c1cccc(C(F)(F)F)c1)n1cccc1 138325 LMNKGXDBXIGNIF-UHFFFAOYSA-N 275.251 2.744 0 30 CFAC C[C@H]1c2snnc2-c2cc(Cl)ccc2S1(=O)=O 106041 OULXUGWHUWFTCE-YFKPBYRVSA-N 286.765 2.707 0 30 CFAC CCOC(=O)CCC(C)(C)NC(=O)OC(C)(C)C 203454300 UWKFNECEGBXXDT-UHFFFAOYSA-N 259.346 2.633 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccccn2)C1 95084540 ABZVMTMUUKQIJA-GFCCVEGCSA-N 277.368 2.893 0 30 CFAC Brc1ccc2c(c1)CC1(CC2)OCCO1 140257056 YWGSXLXXNRBUIL-UHFFFAOYSA-N 269.138 2.681 0 30 CFAC Cc1[nH]n(-c2ccc(Br)cc2)c(=N)c1C 686001582 VSMNGZVWDIARIV-UHFFFAOYSA-N 266.142 2.664 0 30 CFAC O=C(O)C[C@@H](C(=O)NCc1ccccc1)C1=CCCCC1 132795 HEEMPGDKBGSFQJ-OAHLLOKOSA-N 287.359 2.894 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@](CCO)(c2ccccc2)C1 71609540 QYEDCSBAKVBMRG-QGZVFWFLSA-N 291.391 2.948 0 30 CFAC CCOC(=O)c1nc2cc(F)ccc2nc1Cl 117805176 WMORIMSWGGQBRB-UHFFFAOYSA-N 254.648 2.599 0 30 CFAC CCOC(=O)CC(F)(F)C(F)(F)Br 196457933 DFKVZBJIJWWPKK-UHFFFAOYSA-N 267.016 2.563 0 30 CFAC O=C(NC(=O)c1ccccc1Cl)c1ccccc1O 157002 ADIZOPVHAIOKBZ-UHFFFAOYSA-N 275.691 2.616 0 30 CFAC CCOC(=O)[C@H]1C(=O)OC2=C(CCCC2)C1(C)C 38652044 AVEWKITZFFDLLF-NSHDSACASA-N 252.310 2.577 0 30 CFAC COc1cc2c(cc1Br)[C@H](N)CCC2 238390929 HBIRFELTSHZNDW-SNVBAGLBSA-N 256.143 2.794 0 30 CFAC COC(=O)c1nc(Br)sc1C1CC1 147376112 GEGKZGQVEAOFTB-UHFFFAOYSA-N 262.128 2.570 0 30 CFAC C[C@@]12C[C@H]3N[C@@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1 536553495 JTXKOFRBDGVSQW-ZKXLYKBJSA-N 270.420 2.880 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H](CCCCN)C1 2525353 JXIQWYRJXFZWAI-LBPRGKRZSA-N 256.390 2.763 0 30 CFAC Cc1cc(C)c2c(N)c(-c3n[nH]c(=S)n3C)sc2n1 159185 FDPBIEJZUAUFKX-UHFFFAOYSA-N 291.405 2.953 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@](CCO)(c2ccccc2)C1 71609538 QYEDCSBAKVBMRG-KRWDZBQOSA-N 291.391 2.948 0 30 CFAC COC(=O)CC[C@@H](Nc1ccccc1)C(F)(F)F 21981644 HVIBSBGRTVOBOR-SNVBAGLBSA-N 261.243 2.983 0 30 CFAC Cc1cc(Br)c2nc(CN)ccc2c1 306522458 PYVRMXPYMWMZQE-UHFFFAOYSA-N 251.127 2.764 0 30 CFAC O=C1NCC2(CCC2)c2cc(Br)ccc21 215894302 WUTJYRGCLUZCFW-UHFFFAOYSA-N 266.138 2.614 0 30 CFAC CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1 114406986 PJZIGPNYGIGSRC-UHFFFAOYSA-N 266.297 2.541 0 30 CFAC Cc1c(Br)cccc1C1(C(=O)O)CC1 84595034 DQCKMARIAWXNOO-UHFFFAOYSA-N 255.111 2.874 0 30 CFAC CC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 112922 PIMWCRQFZKYVEK-UHFFFAOYSA-N 277.349 2.524 0 30 CFAC C[C@H](CN1C(=O)c2cccnc2Nc2ccccc21)N(C)C 5141713 YFLBETLXDPBWTD-GFCCVEGCSA-N 296.374 2.736 0 30 CFAC in-man O[C@@H]1CCCC[C@H]1N1CC[C@H](OCc2ccccc2)C1 142477635 KOZXDMVFYPKCCY-GVDBMIGSSA-N 275.392 2.581 0 30 CFAC COC(=O)C(F)(F)c1ccc(Br)cc1 95774110 NGBJVVVKPWOFIG-UHFFFAOYSA-N 265.053 2.714 0 30 CFAC CCCC[C@]1(Cl)C(=O)Nc2ccccc2C1=O 39124006 MQSQGRNCCGHFLM-CYBMUJFWSA-N 251.713 2.989 0 30 CFAC S=c1[nH]cnc2c1nnn2Cc1ccccc1Cl 159209 QNFKZGCGUTWYAN-UHFFFAOYSA-N 277.740 2.586 0 30 CFAC O=C1CC2(CCCC2)CC(=O)N1c1ccc2c(c1)OCO2 4371726 OZYYNNKFYTXXCE-UHFFFAOYSA-N 287.315 2.629 0 30 CFAC Cc1cc(Br)c2cc(C(=O)O)[nH]c2c1 129670684 DLEFHBYAEZFFMF-UHFFFAOYSA-N 254.083 2.937 0 30 CFAC CN1[C@H]2CC[C@H]1CC(NC(=O)CSc1ccccc1)C2 100243942 CYOVOIGRSWHWMP-KBPBESRZSA-N 290.432 2.520 0 30 CFAC O=C(NCCCCCCCO)OCc1ccccc1 147537703 PFJGJFVBNBKYPQ-UHFFFAOYSA-N 265.353 2.856 0 30 CFAC CS(=O)(=O)c1ccc2nc(Cl)cc(Cl)c2c1 224646771 ZYKFCVNHQYUCIJ-UHFFFAOYSA-N 276.144 2.945 0 30 CFAC O=C(O)[C@H](c1ccccc1)[C@H]1Sc2ccccc2NC1=O 101586 MLFZVXAQHLMAKF-ZIAGYGMSSA-N 299.351 2.968 0 30 CFAC COC(OC)c1cccc(I)c1 28278614 JYFNSJPMDOMOHV-UHFFFAOYSA-N 278.089 2.583 0 30 CFAC CC(C)(C)OC(=O)N1Cc2cnc(Cl)cc2C1 211161978 AKYBBPWDBABJHQ-UHFFFAOYSA-N 254.717 2.986 0 30 CFAC O=C(O)C(F)(F)c1cscc1Br 86556442 IVJWIMYOJWKHOS-UHFFFAOYSA-N 257.055 2.687 0 30 CFAC CC(C)(C)OC(=O)NCC(C)(C)[C@H]1CCCCN1 96897451 UOIBALUJTZYPOG-LLVKDONJSA-N 256.390 2.679 0 30 CFAC Cc1csc2c(N3C[C@H](C)O[C@H](C)C3)ncnc12 18164992 XYDHJGLXPQODOH-AOOOYVTPSA-N 263.366 2.613 0 30 CFAC Cc1coc2c1[C@H]1C=C(CC[C@@H]3O[C@@]3(C)C2)C(=O)O1 14971343 NJMLHRWYACXVHJ-GMXABZIVSA-N 260.289 2.606 0 30 CFAC biogenic,in-vitro C[C@H](N)[C@H](C)c1cccc(I)c1 33868236 OJVNHUSKBDNLFH-YUMQZZPRSA-N 275.133 2.742 0 30 CFAC O=C(O)c1cc2ccc(Br)c(F)c2[nH]1 238638808 HPUWAFMNZFHFGL-UHFFFAOYSA-N 258.046 2.768 0 30 CFAC Clc1ncc(N2CCO[C@H]3CCCC[C@@H]32)c(Cl)n1 1504000366 QLHOTHZQEUNVBH-WPRPVWTQSA-N 288.178 2.931 0 30 CFAC CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(Cl)cc1)C2 100248062 VLQKEPLNPGYNDJ-KBPBESRZSA-N 278.783 2.695 0 30 CFAC O=C(O)c1cc(Cl)nc(Sc2ccccn2)c1 36960276 LZBBMHSHWHLQNF-UHFFFAOYSA-N 266.709 2.979 0 30 CFAC O=C1NC(=O)C(=Cc2ccc(OCCCF)cc2)S1 2265276308 QEQXKWIKNSHKSE-UHFFFAOYSA-N 281.308 2.749 0 30 CFAC O=C1Nc2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@@H]12 66354625 QDCNAGJMBCPFPL-JKSUJKDBSA-N 278.355 2.854 0 30 CFAC CCC(=O)NC1(C)CCC(C(C)(C)NC(=O)CC)CC1 140489108 KWHPPJJZWDPTMS-UHFFFAOYSA-N 282.428 2.766 0 30 CFAC Cn1nc(I)c2ccc(Cl)cc21 206081733 WZWBJGPOMSRQQW-UHFFFAOYSA-N 292.507 2.831 0 30 CFAC COc1ccc2[nH]cc(CCNC(=O)C3CCC3)c2c1 8254 BHYGXGAAIXZHEH-UHFFFAOYSA-N 272.348 2.635 0 30 CFAC Cc1nc(C)c(C(=O)O)c(-c2ccsc2)c1C(=O)O 108020 DPMSHSCAQSPBKZ-UHFFFAOYSA-N 277.301 2.823 0 30 CFAC CCOC(=O)/C=C/c1cc(OC)c(OCC)c(OC)c1 33847841 OPAIXYIBCPAMEV-BQYQJAHWSA-N 280.320 2.679 0 30 CFAC CC(=O)c1ccccc1OC[C@H](O)CN(C(C)C)C(C)C 1998754 KEPGBFRUNYWLPT-OAHLLOKOSA-N 293.407 2.748 0 30 CFAC CC(C)(C)OC(=O)N1CCC(=O)[C@H]1Cc1ccccc1 34555645 XVHMWLMWXXHGPD-CYBMUJFWSA-N 275.348 2.808 0 30 CFAC COc1ccc(C(=O)C[C@H]2CCC[C@@H]2C(=O)O)cc1 83260072 BFVLIYRMUAIYEL-YPMHNXCESA-N 262.305 2.769 0 30 CFAC C=CC(=O)OCC(C)(C)COC(=O)c1ccccc1 2379649 MXBCLXAAEYWALK-UHFFFAOYSA-N 262.305 2.599 0 30 CFAC Cc1c(-c2ccc(Br)cc2)nn(C)c1N 34976134 AXPBGFZXBZDRHS-UHFFFAOYSA-N 266.142 2.740 0 30 CFAC CCOC(=O)C(CC(=O)O)=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265340039 MHKVXLDHSXKUJZ-BKUVIOGVSA-N 278.348 2.777 0 30 CFAC NC[C@@H](c1ccccc1)c1ccc2c(c1)OCCO2 85167 PZCVDWCXOZQXQS-AWEZNQCLSA-N 255.317 2.548 0 30 CFAC O=C(O)c1ccn(-c2ccc(Cl)cc2Cl)n1 34234790 VBPQJKXKGFYNQD-UHFFFAOYSA-N 257.076 2.877 0 30 CFAC in-vitro c1ccc(COc2ccc3c(c2)CNCCO3)cc1 89060641 NRKOCGYDDSNWOW-UHFFFAOYSA-N 255.317 2.748 0 30 CFAC Cc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C 100393663 GTVFZQYNCFVNOD-OKILXGFUSA-N 257.333 2.983 0 30 CFAC COC(=O)[C@@H]1CC(C)(C)CN1C(=O)OCc1ccccc1 642881821 KOKLTGOHIRFVHG-ZDUSSCGKSA-N 291.347 2.597 0 30 CFAC CC(C)(C)OC(=O)NC[C@@](C)(C(=O)O)c1ccccc1 113230509 ROFUNUKWEOQWPS-OAHLLOKOSA-N 279.336 2.554 0 30 CFAC CNC(=O)c1cccc2cccc(Br)c12 173180 NSTWXPCQRXJDBW-UHFFFAOYSA-N 264.122 2.962 0 30 CFAC CC[C@H](C)Nc1ncnc2cc(OC)c(OC)cc12 116803 HZUHTNXRVQWONN-VIFPVBQESA-N 261.325 2.857 0 30 CFAC CC[C@@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 37041372 BTIPUAZRSCRWLS-SNVBAGLBSA-N 261.325 2.627 0 30 CFAC Nc1cccnc1Sc1nc2cccnc2s1 80787 URCSSTQJFIAIOI-UHFFFAOYSA-N 260.347 2.820 0 30 CFAC Cc1ccc(Br)cc1[C@@H]1C[C@H]1C(=O)O 259330758 RYHNJJBOOXOIQX-VHSXEESVSA-N 255.111 2.946 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)c2cccnc2)C1 697185355 CEZHDDGDCPFUQA-KBPBESRZSA-N 292.379 2.762 0 30 CFAC COC(=O)CCCNc1ncc(C)cc1Br 716475717 CSPAXCUZZXKAFZ-UHFFFAOYSA-N 287.157 2.518 0 30 CFAC COC(=O)c1ccccc1OC(=O)NCCc1ccccc1 2265364205 ZNZUWTNEKIMAMK-UHFFFAOYSA-N 299.326 2.804 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](C(=O)O)C[C@@H]21 238083722 AZBWQTBGEFVQAW-WOPDTQHZSA-N 283.368 2.887 0 30 CFAC O=Cc1c[nH]c2c(Cl)ncc(Br)c12 238517701 QPDYKEPEMLYZTN-UHFFFAOYSA-N 259.490 2.791 0 30 CFAC Cc1cccc(Cl)c1NC(=S)N1CCOCC1 128603 NROYXDDMOMRYNB-UHFFFAOYSA-N 270.785 2.677 0 30 CFAC CCCCCC[C@@H]([C@H](C)O)n1cnc2cncnc21 26672560 ZTSORWGHRMIOHU-AAEUAGOBSA-N 262.357 2.719 0 30 CFAC O=C1c2ccccc2O[C@]2(C(=O)Nc3ccccc3)C[C@@H]12 100972452 IQXKCVCVMGJCGV-SUMWQHHRSA-N 279.295 2.659 0 30 CFAC CC(C)NC(=O)c1cc(Br)cnc1Cl 50044020 SKMIYBSUMAGPFP-UHFFFAOYSA-N 277.549 2.636 0 30 CFAC O=C(O)C(F)(F)c1cc(Br)cs1 215581920 VWTGPIKMQQEGEX-UHFFFAOYSA-N 257.055 2.687 0 30 CFAC Clc1ccc(C=Cc2ccnc3ncnn23)cc1 2265276475 GPYFLUVNJMXNSA-UHFFFAOYSA-N 256.696 2.948 0 30 CFAC COc1ccc(Cn2cnc(Br)c2)cc1 96032286 RYBJSXMINAPHTE-UHFFFAOYSA-N 267.126 2.703 0 30 CFAC CCOC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 5856121 CURANEYLIZSJBL-UHFFFAOYSA-N 283.755 2.780 0 30 CFAC COc1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1 39234132 LLAHKZHKZQAKQK-UHFFFAOYSA-N 257.245 2.834 0 30 CFAC CC1(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CCC1 118728596 ATLGJNSAMLEGKP-SECBINFHSA-N 257.330 2.545 0 30 CFAC CC[C@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 37041371 BTIPUAZRSCRWLS-JTQLQIEISA-N 261.325 2.627 0 30 CFAC Cc1cccc(S(=O)(=O)c2ccccc2C(=O)O)c1C 2032887 ADTDTEOEJQZOKN-UHFFFAOYSA-N 290.340 2.834 0 30 CFAC O=C(NCc1ccc2c(c1)CCO2)c1ccccc1 4390688 TVSXIFYVOOOJAV-UHFFFAOYSA-N 253.301 2.552 0 30 CFAC CCOC(=O)C(C)(Cc1cccc(F)c1)C(=O)OCC 95347855 BVUAMFMREMKACT-UHFFFAOYSA-N 282.311 2.501 0 30 CFAC CCOC(=O)c1c[nH]c2cc(-c3ccncc3)ccc2c1=O 33506526 MZESMDMSRBNRBO-UHFFFAOYSA-N 294.310 2.767 0 30 CFAC C[S@](=O)(=NC(=O)c1ccccc1)c1ccccc1 32192563 LMHOZLUJYGKCSM-GOSISDBHSA-N 259.330 2.984 0 30 CFAC N=C(N)N1C(=N)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 95630018 SCPRECBHQADPBM-CYBMUJFWSA-N 299.765 2.985 0 30 CFAC CCOC(=O)Cc1ccc(Br)cc1OC 216015895 IWVGLLSTNDUJDY-UHFFFAOYSA-N 273.126 2.563 0 30 CFAC CC[C@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 2158449 VANXNIWFYXJLEP-JTQLQIEISA-N 275.801 2.502 0 30 CFAC CCc1cccc(C)c1N1C(=O)c2cccnc2C1=O 101834 GGMGFDDGQVFRCP-UHFFFAOYSA-N 266.300 2.753 0 30 CFAC Cc1ccc(N2CCN(CCCCCC(=O)O)CC2)cc1 4336087 KXJRRYNQGULMPN-UHFFFAOYSA-N 290.407 2.762 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCCN1 96946813 XOZZUEAIFAOYDA-STQMWFEESA-N 268.401 2.918 0 30 CFAC CC(C)(ON)C(=O)OC(c1ccccc1)c1ccccc1 33606708 QRRMFTHXRXKGRY-UHFFFAOYSA-N 285.343 2.988 0 30 CFAC FC(F)(F)c1nc(-c2ccccc2)nc2c1CNCC2 43464079 RUCPYNXIAXYLCT-UHFFFAOYSA-N 279.265 2.808 0 30 CFAC C[C@@H](c1ccc(C(F)(F)F)nc1)[S@@](C)(=N)=O 114402515 SDEFOCWEOKCRJR-MUCOVADDSA-N 252.261 2.838 0 30 CFAC Cc1ccc(C(=O)O)c(OC[C@H]2CCCCO2)c1 42220563 ZCEDENINMACMGC-LLVKDONJSA-N 250.294 2.641 0 30 CFAC N[C@H](c1cc(Cl)cc(Cl)c1)C(F)(F)C(=O)O 95760593 CRBYNZBCXYEFFT-SSDOTTSWSA-N 270.062 2.713 0 30 CFAC CC[S@](=N)(=O)c1cc(Br)ccc1OC 695049347 OHNNNZJHUMZXLJ-AWEZNQCLSA-N 278.171 2.883 0 30 CFAC O=S(=O)(Nc1cccc2nsnc12)c1cccs1 168172 XLOMLZBRWXNHCL-UHFFFAOYSA-N 297.386 2.554 0 30 CFAC O=C(O)c1cncc(Oc2ncccc2Br)c1 111686123 JZLDHSPGZTWLFA-UHFFFAOYSA-N 295.092 2.730 0 30 CFAC CC(=O)[C@H]1CNc2ccccc2[C@]1(O)c1ccccc1 101994 UZLRBRKFIOLNTB-NVXWUHKLSA-N 267.328 2.553 0 30 CFAC Brc1ccn2cc(Br)nc2c1 218912224 XEMZFTVAFSIORL-UHFFFAOYSA-N 275.931 2.859 0 30 CFAC Cn1ccnc1Sc1ncccc1Br 42376537 VSVGPUVFAOAUEL-UHFFFAOYSA-N 270.155 2.729 0 30 CFAC CSc1nc(=O)c2cccnc2n1-c1ccc(C)cc1 93477 GPZDTQHZCGGPIA-UHFFFAOYSA-N 283.356 2.811 0 30 CFAC COc1ccc(OCc2ccccc2)cc1C(=O)O 39472938 UNLCCNOMAQCSGD-UHFFFAOYSA-N 258.273 2.972 0 30 CFAC CCCN1CCC(NC(=O)OCc2ccccc2)CC1 307499306 SVYDXALQFXWHPH-UHFFFAOYSA-N 276.380 2.787 0 30 CFAC C[C@H](Oc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)O 526913740 TYAIMDOXBIVIIY-VIFPVBQESA-N 281.308 2.886 0 30 CFAC O=C(O)CC1(CC(=O)NCc2ccccn2)CCCCC1 129715 FGOKWEDBZPMSRS-UHFFFAOYSA-N 290.363 2.513 0 30 CFAC CC(C)CC(=O)C[C@](C)(O)CCC(=O)c1ccoc1 2002692 SUMMQMXACBFGLA-OAHLLOKOSA-N 266.337 2.999 0 30 CFAC endogenous,in-man Cc1ccc2[nH]c(=S)n(-c3cccnc3)c(=O)c2c1 13658807 XCOGKYCJJGUNMN-UHFFFAOYSA-N 269.329 2.752 0 30 CFAC CCOC(=O)C1(C(=O)OCC)CC2(CC3(CCC3)C2)C1 950757241 KRHHQVPSBBPTRW-UHFFFAOYSA-N 280.364 2.843 0 30 CFAC CCOC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 309624596 CFMAPIDXSOYUER-MRXNPFEDSA-N 291.347 2.598 0 30 CFAC Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1 95931357 ZJUFDEBHFSHIQX-UHFFFAOYSA-N 283.397 2.509 0 30 CFAC COC(=O)c1cnn2cc(OCc3ccccc3)ccc12 38538056 NUCIGZRAMFALPO-UHFFFAOYSA-N 282.299 2.700 0 30 CFAC [N-]=[N+]=N[Si](N=[N+]=[N-])(c1ccccc1)c1ccccc1 195764950 XDCSOOXOXIRFAA-UHFFFAOYSA-N 266.340 2.864 0 30 CFAC CC(=O)SCC(=O)Nc1cc(Cl)c(C)cc1O 6069812 MRMIFRUIXQBIGV-UHFFFAOYSA-N 273.741 2.572 0 30 CFAC Cc1ccc(C=NNC(=O)Cc2noc3ccccc23)cc1 12954368 DSZDYTCWXVSOHX-UHFFFAOYSA-N 293.326 2.829 0 30 CFAC COC(=O)c1ccc(N(C)c2cc(O)ccc2O)cc1 306147202 VDZQNMGDGADRQY-UHFFFAOYSA-N 273.288 2.652 0 30 CFAC CC(C)(C)NC(=O)c1cc(Br)cc2c1OCC2 4362279 YWKBSZSMVPGXKW-UHFFFAOYSA-N 298.180 2.912 0 30 CFAC O=C(Nc1nc2ccccc2c(=O)s1)c1ccco1 119528 KUIPIRLJFOPQTA-UHFFFAOYSA-N 272.285 2.502 0 30 CFAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1cccc(F)c1 83328575 QBBQWPROZSALEY-SKDRFNHKSA-N 250.269 2.899 0 30 CFAC CCOP(=O)(CCCCC(=O)OC)OCC 96395074 KIKKAUMBOREVED-UHFFFAOYSA-N 252.247 2.596 0 30 CFAC CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCNCC1 616583333 YYIRDJGVPMNUAA-ZDUSSCGKSA-N 280.412 2.776 0 30 CFAC COC(Cn1c(S)nnc1-c1ccc(Cl)cc1)OC 123924 XLDGWYADMAELSD-UHFFFAOYSA-N 299.783 2.506 0 30 CFAC CC(C)(C)OC(=O)N[C@H](C[C@H]1CC=CCC1)C(=O)O 44294810 PABLWCRQESJOMP-WDEREUQCSA-N 269.341 2.711 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](Nc2nccc(Cl)n2)C1 95083253 CMIBVRQDTUSAQP-SECBINFHSA-N 298.774 2.551 0 30 CFAC COC(=O)c1cncn1[C@H]1CCCc2ccccc21 34305724 WYJQXMNXIFGNSG-ZDUSSCGKSA-N 256.305 2.595 0 30 CFAC Cc1cc(C)n(CCS(=O)(=O)c2ccc(Cl)cc2)n1 126321 TWMHQJAUHBBKNA-UHFFFAOYSA-N 298.795 2.627 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCCNC1 685945628 RMKRHIQQCLWWJL-XEZPLFJOSA-N 280.412 2.776 0 30 CFAC CN(C(=O)c1ccccc1)C(=O)N(C)C(=O)c1ccccc1 1042485 PSZAHPPWHUTGDF-UHFFFAOYSA-N 296.326 2.651 0 30 CFAC Brc1cnc2[nH]c(-c3cccnc3)nc2c1 5323240 HAJPVWOPPVBQAB-UHFFFAOYSA-N 275.109 2.782 0 30 CFAC CCOc1ccc(C(C)(C)C(=O)O)cc1OCC 52233553 ZTETWGOVNGTOFF-UHFFFAOYSA-N 252.310 2.846 0 30 CFAC in-vitro COC(=O)[C@H]1CCN[C@@H](c2cccc(Cl)c2)C1 257845354 ADFBOZGIGWDLPK-CMPLNLGQSA-N 253.729 2.554 0 30 CFAC FC(F)c1cc(I)ccn1 238684964 ARUXKKMDZZRLQS-UHFFFAOYSA-N 255.005 2.624 0 30 CFAC O=Cc1ccc(-c2cccc(-c3ccc(C=O)cn3)n2)nc1 35654071 JMAOENVZXJUXIZ-UHFFFAOYSA-N 289.294 2.831 0 30 CFAC CCOC(=O)c1c(-c2ccccc2OC)noc1C 39119883 HVFZXOJUFGNQDK-UHFFFAOYSA-N 261.277 2.835 0 30 CFAC Nc1ccccc1C(=O)NCc1c(F)cccc1Cl 139839 OHDVEOCETDWWAS-UHFFFAOYSA-N 278.714 2.991 0 30 CFAC CCN(CC)CCOC(=O)c1ccc(NCl)cc1 112929383 SGVQMKDQDTWFEM-UHFFFAOYSA-N 270.760 2.751 0 30 CFAC CC(C)C[C@](C)(CN)NC(=O)c1cc(Cl)c(Cl)[nH]1 122075296 PRDKEVSIODSPDR-GFCCVEGCSA-N 292.210 2.815 0 30 CFAC CCOC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl 145374522 OXPBTXVQBDIPLW-UHFFFAOYSA-N 289.114 2.698 0 30 CFAC CSC(=S)N1Cc2[nH]c3ccccc3c2C[C@@H]1CO 39628273 IFUFGCHZTXPRII-SECBINFHSA-N 292.429 2.535 0 30 CFAC CCOC(=O)CSc1nnc2sc3ccccc3n12 160126 YRGFWTGCUMWCHK-UHFFFAOYSA-N 293.373 2.599 0 30 CFAC CCOC(=O)CC1(c2ccc(Cl)cc2)COC1 95762087 IKGCQOXVADOKLP-UHFFFAOYSA-N 254.713 2.561 0 30 CFAC CCn1nc(-c2cccs2)cc1C(=O)NC(C)C 123423 YBSXIMDVESECQJ-UHFFFAOYSA-N 263.366 2.770 0 30 CFAC CCOC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 76872040 JXJJXVKJXFKALA-WDEREUQCSA-N 271.357 2.633 0 30 CFAC O=C(NCC(=O)c1ccccc1)OCc1ccccc1 95757822 DXHNCAPSLILWGT-UHFFFAOYSA-N 269.300 2.796 0 30 CFAC CC1(C)CN[C@@H]1c1nccn1COCC[Si](C)(C)C 669371492 AYVRYTOWCIPLHF-GFCCVEGCSA-N 281.476 2.866 0 30 CFAC O=C(O)c1c(Br)cccc1OC(F)F 706671324 OEKHYPMLZQUYDZ-UHFFFAOYSA-N 267.025 2.749 0 30 CFAC COc1ccc2c(c1)O[C@@]1(O[C@@H]1c1ccccc1)C2=O 32267283 XQNZZUOCNPCTPY-HZPDHXFCSA-N 268.268 2.738 0 30 CFAC C[C@@H]1Oc2cc3cc(C(F)(F)F)cnc3cc2NC1=O 2265385629 UBMFZDPESJAMGU-LURJTMIESA-N 282.221 2.973 0 30 CFAC Cc1n[nH]cc1-c1nsc(Nc2ccccc2)n1 107822 PLTVIBDRNPOVEJ-UHFFFAOYSA-N 257.322 2.980 0 30 CFAC O=S(=O)(C=Cc1ccccc1)NCc1ccccc1 6111665 DGZFDOYMYOFLFI-UHFFFAOYSA-N 273.357 2.777 0 30 CFAC Cc1cn(C(=O)c2snnc2C)nc1-c1cccs1 114668 NIKQYWQJDBCNRT-UHFFFAOYSA-N 290.373 2.768 0 30 CFAC FC(F)(F)[C@H]1CCCN(c2cc(Cl)ncn2)C1 88434878 CCKQCZLRXJOLJR-ZETCQYMHSA-N 265.666 2.909 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ncno1 390822140 KDSMYNRKWFIKAD-LBPRGKRZSA-N 289.335 2.878 0 30 CFAC COC1=CC(=O)OC1=CNc1ccc(Cl)cc1 2265276453 ZABONBWDFLIFPE-UHFFFAOYSA-N 251.669 2.680 0 30 CFAC COc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1OC 156510 OYKXOGMXNNMMLB-UHFFFAOYSA-N 295.335 2.533 0 30 CFAC CN(C)CCNc1c2c(nc3ccccc13)CCC[C@@H]2O 14946475 XMAVZCCINJYMNG-HNNXBMFYSA-N 285.391 2.578 0 30 CFAC CC(C)(C)OC(=O)N[C@@H]1CCNC12CCCCC2 306904266 JSFHTLVYZPBVEF-LLVKDONJSA-N 254.374 2.576 0 30 CFAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1cc(N)cnc1C2 195995473 DPHGKXFNNOPZEM-GWCFXTLKSA-N 275.352 2.661 0 30 CFAC O=C(NCC[C@H]1CCc2ccccc21)c1ccccn1 33875416 ONFRBRFOQADVEM-CQSZACIVSA-N 266.344 2.932 0 30 CFAC CCOC(=O)[C@@H]1C[C@H]1c1ccc(OCC)c(F)c1 669370614 UAGWDSJVEJEZQQ-WDEREUQCSA-N 252.285 2.891 0 30 CFAC O=C(O)CC1(CC(=O)NCc2cccnc2)CCCCC1 129743 JAASLGNWDQHNIV-UHFFFAOYSA-N 290.363 2.513 0 30 CFAC COc1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 100208269 GXBRJKNIUHUZNN-HNNXBMFYSA-N 281.311 2.742 0 30 CFAC CNC(=O)c1ccccc1-[s+]1c2ccccc2c(=O)n1C 4367477 YTWWOZDIECBWTH-UHFFFAOYSA-O 299.375 2.636 0 30 CFAC CCOC(=O)CCc1c(F)c(F)c(F)c(F)c1F 96331008 FNHOVPODTZQKDZ-UHFFFAOYSA-N 268.181 2.878 0 30 CFAC COC(=O)Cc1c(C)nc2cccc(O)c2c1Cl 2265362224 LBLXRASTHTZITQ-UHFFFAOYSA-N 265.696 2.618 0 30 CFAC COC(=O)c1cnc2cc(OC)ccc2c1Cl 82049579 RDWLLJYHWYPTIZ-UHFFFAOYSA-N 251.669 2.683 0 30 CFAC in-vitro CCOC(=O)C1CCC(NCc2ccccc2)CC1 37788354 TZRIZRLULWVYKE-UHFFFAOYSA-N 261.365 2.898 0 30 CFAC C[C@H](NC(=O)OCc1ccccc1)C1CCOCC1 224821068 DJAVAERFHHUYSH-LBPRGKRZSA-N 263.337 2.728 0 30 CFAC CCOc1cc(CCN)cc(OCC)c1SC 27752661 OMJVPFLTCMALSV-UHFFFAOYSA-N 255.383 2.707 0 30 CFAC O=C(NCc1csc(-c2cccs2)n1)c1ccno1 131582 HDEXTAXHJMVLSJ-UHFFFAOYSA-N 291.357 2.790 0 30 CFAC C[C@@H](OC(=O)CCC(=O)O)C12CC3CC(CC(C3)C1)C2 5751135 HCTVUXYVRWXMGI-GYPVXTSCSA-N 280.364 2.999 0 30 CFAC Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccco3)C2)cc1 13675226 NNSLQCQCMFBQHJ-ZDUSSCGKSA-N 285.372 2.983 0 30 CFAC O=C(O)Cc1cc(Br)cc(Cl)c1F 75902414 SLLPNBWNXSOENV-UHFFFAOYSA-N 267.481 2.869 0 30 CFAC CC1=C(C)C[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2C1 100207293 GUENEOZTYZJOSH-BETUJISGSA-N 299.326 2.651 0 30 CFAC CON=C[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 254288064 LXVBOSFZIQAIKP-LURJTMIESA-N 277.633 2.993 0 30 CFAC Cc1c(Br)cnc(Cl)c1C(=O)O 95764292 XQOXDWRAWWPLNW-UHFFFAOYSA-N 250.479 2.504 0 30 CFAC in-vitro C[C@H]1Cc2cocc2[C@@H](O)[C@@H]2CC(C)(C)C[C@]12O 223648651 AWQDNLQGSPYBFY-WTKQLKIWSA-N 250.338 2.673 0 30 CFAC NC(=S)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1 13675238 MAMDYOIVAVDENG-LBPRGKRZSA-N 289.335 2.813 0 30 CFAC CN(C)c1ccncc1C(=O)Nc1ccc(F)cc1F 78582 SEELEHLAUTYYQH-UHFFFAOYSA-N 277.274 2.678 0 30 CFAC O=C1NN(c2ccccc2)C(=S)Nc2ccccc21 145332 OWMRCSCFYZEUKZ-UHFFFAOYSA-N 269.329 2.548 0 30 CFAC O[C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1 171375 HECLHELGVHQAQM-ZDUSSCGKSA-N 280.249 2.788 0 30 CFAC CC1=C(C(=O)Nc2ccc(F)cc2)SCCO1 129196 GBTYXSHWRFGGLG-UHFFFAOYSA-N 253.298 2.759 0 30 CFAC Cc1c([C@H](C)O)oc2ccc(C3=CC(=O)OC3)cc12 6069231 MQNWWJVIEQBJJO-VIFPVBQESA-N 258.273 2.735 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H](CCN)c2ccccc21 380882164 GVZGXAMWDFMOAO-LLVKDONJSA-N 262.353 2.874 0 30 CFAC CCOc1cc(C2OCC(C)(C)CO2)ccc1O 5863148 XEFZTJTXHMGSFR-UHFFFAOYSA-N 252.310 2.863 0 30 CFAC Brc1ccc(CNC2=NCCS2)cc1 33866577 WQZBFPFJYHBVHE-UHFFFAOYSA-N 271.183 2.642 0 30 CFAC O[C@@H](c1ccccc1)c1ccc(Br)cn1 35323328 RSSXJOWWDMIIAJ-LBPRGKRZSA-N 264.122 2.926 0 30 CFAC S=C(Oc1n[nH]c(=S)s1)c1ccccc1 299754732 MQAGQXYZEXYWPY-UHFFFAOYSA-N 254.361 2.955 0 30 CFAC O[C@H]1C(=Cc2c(F)cccc2Cl)N2CCC1CC2 2265269941 VFXZDJWKCIRXPG-CQSZACIVSA-N 267.731 2.907 0 30 CFAC CCN(CC)c1cc(NC(C)=O)ccc1OCCOC 5139379 MPPIXEWSOAUFPC-UHFFFAOYSA-N 280.368 2.516 0 30 CFAC O=c1[nH]cnc2sc3c(c12)CN(Cc1ccccc1)CC3 20421617 WNQJWZWTVSFGJF-UHFFFAOYSA-N 297.383 2.543 0 30 CFAC S=C(NC1CCCCC1)N[C@H]1C[C@H]2C=C[C@H]1C2 100234624 AUHQTANFKNNRIW-GVXVVHGQSA-N 250.411 2.748 0 30 CFAC O=C1c2ccc(Cl)cc2C[C@@H]1C(=O)C(F)(F)F 116936139 ZFNHTWVQIQSXQW-QMMMGPOBSA-N 262.614 2.826 0 30 CFAC CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)O)c1 263620009 QAGDCCCEKQJAJB-UHFFFAOYSA-N 255.245 2.871 0 30 CFAC O=C1N=C(O)CC12c1ccccc1CCc1ccccc12 5934816 SWXGTCKIGMOVFI-UHFFFAOYSA-N 277.323 2.958 0 30 CFAC C[C@H]1[C@H](c2cccc(Br)c2)[C@@H]1C(=O)O 76695740 VFFFMLOGCLWPOH-WQGWLQIFSA-N 255.111 2.883 0 30 CFAC CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2NC1 669371484 AOIIOUQUKIGXNI-GFCCVEGCSA-N 262.353 2.938 0 30 CFAC FC(F)(F)c1cc(Cc2nnn[nH]2)cc(C(F)(F)F)c1 128074 FKXNUHHIZVLGSO-UHFFFAOYSA-N 296.174 2.828 0 30 CFAC CO[C@@H](CCC[C@@H](C)CO)C(C)(C)Br 6036379 DOOYDTPWMJXOPI-ZJUUUORDSA-N 267.207 2.974 0 30 CFAC CC(=O)C1C(=O)CC(c2ccc(Cl)cc2)CC1=O 100239019 KDOCVXNHAYWJIJ-UHFFFAOYSA-N 264.708 2.561 0 30 CFAC CC1(C)CC=C(B(O)OC(C)(C)C(C)(C)O)CC1 200335269 YRRDUPLYKYQFEY-UHFFFAOYSA-N 254.179 2.709 0 30 CFAC FC1(F)CCN(CCc2ccc(Br)cn2)C1 584648121 BDWNATWDJYCGNS-UHFFFAOYSA-N 291.139 2.728 0 30 CFAC COc1cccc(C(=O)OCCCN2CCCCC2)c1 4214184 MDEHCYRQFACAGY-UHFFFAOYSA-N 277.364 2.728 0 30 CFAC in-man Cc1cc(Cl)cc2cc(C(=O)O)c(C(=O)O)nc12 32099558 OJDUVKWEAZRCMD-UHFFFAOYSA-N 265.652 2.593 0 30 CFAC CC(C)C[C@H](NC(=O)CCCc1ccccc1)C(=O)O 20431007 ZXHZVSUXSLRNAU-AWEZNQCLSA-N 277.364 2.625 0 30 CFAC Clc1nc(Cl)nc(OCc2ccccc2)n1 2034087 BLYRMYBCLLKQBV-UHFFFAOYSA-N 256.092 2.757 0 30 CFAC CC(C)CNC(=O)Oc1cccc(NC(=O)N(C)C)c1 1756258 BFXLQAXFPODEJD-UHFFFAOYSA-N 279.340 2.525 0 30 CFAC CCOC(=O)CSC(=S)Nc1ccccc1OC 3131782 DCLPKDKAKDBHMB-UHFFFAOYSA-N 285.390 2.688 0 30 CFAC Clc1ncc(N2CCO[C@H]3CCCC[C@H]32)c(Cl)n1 1504000357 QLHOTHZQEUNVBH-SCZZXKLOSA-N 288.178 2.931 0 30 CFAC CNCCSc1cc(Br)ccc1OC 2265381466 IYPVIPDRMXHSTC-UHFFFAOYSA-N 276.199 2.769 0 30 CFAC C[C@H](c1ccccc1)N1CCC(F)(F)C[C@H]1C(=O)O 498050531 LIIDOJBWCNYUOH-PWSUYJOCSA-N 269.291 2.932 0 30 CFAC Sc1ccc(-n2ccc(-c3ccccc3)n2)nn1 98095641 DJITVRZXEYMJRA-UHFFFAOYSA-N 254.318 2.618 0 30 CFAC O=C(NCc1ccco1)c1ccc(-c2csnn2)cc1 107119 IDOJOAIOBRQRBT-UHFFFAOYSA-N 285.328 2.728 0 30 CFAC COc1ccc(-n2ncc(Br)c2C)cc1 199581302 XXIDSPHCJMTYNY-UHFFFAOYSA-N 267.126 2.952 0 30 CFAC CCCC[C@H](C)OC(=O)C[C@@H](C)NC(=O)C(F)(F)F 32221948 FHDWVJQWYXIEGU-BDAKNGLRSA-N 283.290 2.565 0 30 CFAC CC(C)(C)OC(=O)Nc1cccc(S(C)(=O)=O)c1F 716330334 XIPSHIAWKUIURP-UHFFFAOYSA-N 289.328 2.576 0 30 CFAC CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1N 14985536 ZAVQKOBDJNRACY-UHFFFAOYSA-N 299.252 2.650 0 30 CFAC O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl 238790585 AVZWWQUNQURQSP-UHFFFAOYSA-N 278.651 2.862 0 30 CFAC CCOC(=O)c1cc2ccc(C)cc2nc1C(=O)OCC 32099648 PDSAFPZTEHEECQ-UHFFFAOYSA-N 287.315 2.897 0 30 CFAC Clc1ccc(-c2noc(CSC3=NCCN3)n2)cc1 137811 BAPHIXKOPMJNFJ-UHFFFAOYSA-N 294.767 2.582 0 30 CFAC CC(C)(C)OC(=O)Nc1ccc2c(C(=O)O)n[nH]c2c1 584880247 IXYVGEBQOKOZJS-UHFFFAOYSA-N 277.280 2.608 0 30 CFAC O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccco1 119581 REPYHBPZXKEDTP-UHFFFAOYSA-N 270.263 2.760 0 30 CFAC CCOC(=O)C1=CNCC(C)(C)c2c1[nH]c1ccc(N)cc21 95938039 DCAPZFWGHRYYIP-UHFFFAOYSA-N 299.374 2.535 0 30 CFAC CC(C)(C)OC(=O)N1CC(CC(=O)O)(c2ccccc2)C1 382040254 IDRRMIZUDZHCAQ-UHFFFAOYSA-N 291.347 2.650 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](C(=O)O)C[C@@H]21 96976810 AZBWQTBGEFVQAW-UTUOFQBUSA-N 283.368 2.887 0 30 CFAC C[C@@H]1CCCC[C@@H]1C(=O)CNC(=O)OC(C)(C)C 685959531 ZJWDNFVGTBOUOW-MNOVXSKESA-N 255.358 2.907 0 30 CFAC O=c1[nH]nc(CSc2ccccn2)c2ccccc12 170811 GPVKPXPDLKMBKX-UHFFFAOYSA-N 269.329 2.610 0 30 CFAC CCOC(=O)C1CCC(O[C@@H]2CCCCO2)CC1 117791533 BNWFSNDPHHMKNO-WXRRBKDZSA-N 256.342 2.652 0 30 CFAC in-vitro COC(=O)C(=CN(C)C)c1cccc(Br)c1 95828955 KLSXRGAHCLSQFM-UHFFFAOYSA-N 284.153 2.525 0 30 CFAC CC(=O)COc1ccc2c(c1C)OC(C)(C)CC2=O 83283 OAOIWZNWVJZNMK-UHFFFAOYSA-N 262.305 2.707 0 30 CFAC CCOC(=O)COc1cc(Cl)c(Cl)cc1N 139672562 MWPLCBQVCHNJHT-UHFFFAOYSA-N 264.108 2.518 0 30 CFAC CCOC(=O)c1n[nH]c2cccc(Br)c12 89195838 VZMRPASMGHFNIZ-UHFFFAOYSA-N 269.098 2.502 0 30 CFAC CCOC(=O)C[C@H](NCc1ccccc1)C(F)(F)F 196114519 KJXNJNVKUIYFNX-NSHDSACASA-N 275.270 2.660 0 30 CFAC CC(C)(C)OC(=O)NC1(C(=O)O)C[C@H]2CC[C@@H](C2)C1 697694744 LXHROUJRABIASC-UWVGGRQHSA-N 269.341 2.545 0 30 CFAC COc1ccc2[nH]c(C(=O)Nc3cc(C)nc(C)n3)cc2c1 114545 DCZGKWQIXIQBJK-UHFFFAOYSA-N 296.330 2.836 0 30 CFAC O=C(O)C1=NO[C@H](c2ccc(Cl)cc2Cl)C1 586028412 QFSFXEICGWCSSZ-VIFPVBQESA-N 260.076 2.895 0 30 CFAC CCOc1c(Nc2ccc(C(C)C)cc2)c(=O)c1=O 3126623 LHPSGMHXTKSVSN-UHFFFAOYSA-N 259.305 2.548 0 30 CFAC CCc1cc(OC2=CNC(C(=N)N=O)=CN2)ccc1Cl 100454238 NPLQBDSYVJIPBL-UHFFFAOYSA-N 292.726 2.858 0 30 CFAC Cc1ccc(Cl)cc1N1C(=O)c2ccncc2C1=O 102073 PYWDCGHKIFJVSF-UHFFFAOYSA-N 272.691 2.844 0 30 CFAC COC(=O)c1cnc(C(F)(F)F)c(Br)c1 88314944 NGMLYTLMQBKQQJ-UHFFFAOYSA-N 284.031 2.650 0 30 CFAC COc1ccncc1C(=O)Nc1ccc(F)cc1F 78578 DQDMXPXRXYBAEF-UHFFFAOYSA-N 264.231 2.621 0 30 CFAC Cc1cccc(NC(=O)c2onc3c2CCCC3)n1 385075 KDZWDYWSTFVLMY-UHFFFAOYSA-N 257.293 2.509 0 30 CFAC O[C@H](CC(O)(C(F)(F)F)C(F)(F)F)c1ccco1 2020307 GTTCBZHGVSTRQO-RXMQYKEDSA-N 278.148 2.559 0 30 CFAC C[C@@]1(C(=O)O)Cc2ccc(Br)cc2C1 220916281 FUPVZWCMMYJCJB-LLVKDONJSA-N 255.111 2.639 0 30 CFAC FC(F)(F)COc1cnccc1Br 238513027 FODCWQHIDWLMLP-UHFFFAOYSA-N 256.021 2.785 0 30 CFAC Cc1nc2c(Br)cc(C(=O)O)cc2o1 1532500123 CQFAVMWQQDIEQN-UHFFFAOYSA-N 256.055 2.597 0 30 CFAC O=c1c(Br)c[nH]c2cc(F)cc(F)c12 41702121 OZPIIUCCCJBNJE-UHFFFAOYSA-N 260.037 2.569 0 30 CFAC CC1(C)Nc2ccc(Br)cc2NC1=O 86159272 XDHIJUAZNRHJHV-UHFFFAOYSA-N 255.115 2.592 0 30 CFAC in-vitro COC(=S)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 172795 ULYNWOLMGAATCZ-QWRGUYRKSA-N 280.393 2.643 0 30 CFAC C[C@@H]1CC[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C1 100394329 KPXMWMXKALDJRT-OASPWFOLSA-N 261.296 2.751 0 30 CFAC CN(C(=O)OCc1ccccc1)[C@@H]1CCCC(=O)C1 306290923 QMMZNQRVJGTLEH-CYBMUJFWSA-N 261.321 2.767 0 30 CFAC CCOC(=O)C(CC1CCCCC1)C(=O)OCC 32212076 WYEHGLSPWYCMOF-UHFFFAOYSA-N 256.342 2.699 0 30 CFAC Cc1ccc2cc([C@@H](O)COCCN(C)C)ccc2c1 33898879 RHZDBRUJAHXJKZ-KRWDZBQOSA-N 273.376 2.760 0 30 CFAC C[C@]1(C(=O)O)Cc2ccc(Br)cc2C1 220916217 FUPVZWCMMYJCJB-NSHDSACASA-N 255.111 2.639 0 30 CFAC COc1cc2ccc(=O)oc2c2c1O[C@@H](C)C2(C)C 14613603 URXLWURDLTXTCV-QMMMGPOBSA-N 260.289 2.860 0 30 CFAC CC(C)(C)OC(=O)NCc1ccc2c(c1)NCCO2 62540126 KEDJZOPRCHWORJ-UHFFFAOYSA-N 264.325 2.516 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H]2C(=O)C(C)(C)[C@H]21 521399073 XWSDAVMHFAVCMI-ZJUUUORDSA-N 253.342 2.611 0 30 CFAC NCC1(c2nc(-c3ccccc3)cs2)CCOCC1 84665576 NCCMJENTBCOPQF-UHFFFAOYSA-N 274.389 2.817 0 30 CFAC COC(=O)c1[nH]c(-c2ccccc2)c(C)c1C(=O)OC 107670 BZCPKPBIHMGDDM-UHFFFAOYSA-N 273.288 2.563 0 30 CFAC CC(=O)[C@@H]1CNc2ccccc2[C@@]1(O)c1ccccc1 101993 UZLRBRKFIOLNTB-RDJZCZTQSA-N 267.328 2.553 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@H](C(=O)O)CC[C@H]21 72233126 OXPYEHRHRGYJIP-SDDRHHMPSA-N 283.368 2.887 0 30 CFAC CCOC(=O)CC(=O)c1c(C)c(F)c(F)c(C)c1F 34454705 AMKRBZMXAAUSMY-UHFFFAOYSA-N 274.238 2.857 0 30 CFAC CC(C)(C)OC(=O)NCC(=O)COc1ccc(Cl)cc1 115774649 YLMLVWAIXCOFHW-UHFFFAOYSA-N 299.754 2.813 0 30 CFAC O=C(O)c1cc(Br)cc2n[nH]c(Cl)c12 14983946 XPUOIHIXXKAOFI-UHFFFAOYSA-N 275.489 2.677 0 30 CFAC CO[C@@H]1CCN(c2ccc(N)cc2C(F)(F)F)C1 234764527 DOADRNNXQMNEKB-SECBINFHSA-N 260.259 2.513 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250582987 COGAVGGBUOCSBQ-IJLUTSLNSA-N 283.368 2.887 0 30 CFAC CC(=O)c1sc(C(C)(C)C)cc1NC(=O)/C=C\C(=O)O 82599 RFDXNTPEFDOROE-WAYWQWQTSA-N 295.360 2.828 0 30 CFAC O=C(O)c1c[nH]c(-c2ccc(Br)cc2)n1 51170620 DLKQRIXYAJLMPM-UHFFFAOYSA-N 267.082 2.537 0 30 CFAC C[C@](O)(c1cccc(Br)c1)C(F)F 87686775 CNHVVBWNGRIVQA-VIFPVBQESA-N 251.070 2.922 0 30 CFAC O=S(=O)(c1cc(C(F)(F)F)ccn1)c1cccs1 149607 YULWTMPBCAOWLI-UHFFFAOYSA-N 293.291 2.995 0 30 CFAC O=C(O)c1nccnc1Nc1ccc(F)c(Cl)c1 54527625 NZYYFTHXMDBAIR-UHFFFAOYSA-N 267.647 2.711 0 30 CFAC CC(C)(C)c1ccc(NC(=S)NCCC(=O)O)cc1 89606 NHZLPAFPUTXLRS-UHFFFAOYSA-N 280.393 2.745 0 30 CFAC CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1Cc1ccccc1 38241949 XVHMWLMWXXHGPD-ZDUSSCGKSA-N 275.348 2.808 0 30 CFAC Brc1ccc2c3c([nH]c2c1)CCNC3 237991667 GJIWDLRLNJDSEH-UHFFFAOYSA-N 251.127 2.576 0 30 CFAC FC(F)(F)c1cnc2nc(Br)ncc2c1 238513687 WDEVFFGMORMYBB-UHFFFAOYSA-N 278.031 2.806 0 30 CFAC O=S(=O)(O)c1c(Cl)cc(Cl)c2cccnc12 39140296 FQJHPFTTWASVMD-UHFFFAOYSA-N 278.116 2.788 0 30 CFAC COC[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 5997946 GKRWQTZYSYFMOV-SSDOTTSWSA-N 288.130 2.519 0 30 CFAC O=C(CSc1nccc(C(F)(F)F)n1)c1cccnc1 66202 OFJWAJXCTGHQCT-UHFFFAOYSA-N 299.277 2.865 0 30 CFAC O=C(O)[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 43465291 PJCYOIRQRFXQRP-MRVPVSSYSA-N 288.143 2.540 0 30 CFAC CC(C)(C)C(=O)CSc1nnc(-c2cnccn2)s1 127618 YCKGPLWZNCDWFE-UHFFFAOYSA-N 294.405 2.702 0 30 CFAC O=C(O)c1cn(Cc2ccccc2)c2sccc2c1=O 35570283 RKPOFDFMZFEKHE-UHFFFAOYSA-N 285.324 2.810 0 30 CFAC CCCOC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C 144716772 NOHWSHIQJRPKOC-HZSPNIEDSA-N 283.412 2.764 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@]2(C)NCCC[C@@H]12 205684163 KMSDSJQQCPBPQZ-RISCZKNCSA-N 254.374 2.528 0 30 CFAC N[C@H]1C[C@@H]2CCC[C@H](C1)[C@H]2NC(=O)OCc1ccccc1 2265360064 QXKIUOPJEPALLD-LDKKBFSKSA-N 288.391 2.819 0 30 CFAC CC(C)c1ccc(NC(=S)NC(C)(C)CO)cc1 7528481 KHPGXHVFTQOOFS-UHFFFAOYSA-N 266.410 2.867 0 30 CFAC Cc1cccn(Cc2c(F)cccc2Cl)c1=O 141046 IXENWDHGEYNKTL-UHFFFAOYSA-N 251.688 2.998 0 30 CFAC CSCC(=O)N(C)C(=O)Oc1ccccc1OC(C)C 2017455 LALUBJKCIPVVIA-UHFFFAOYSA-N 297.376 2.794 0 30 CFAC Cc1cc(OC(=O)N(C)C)nc(-c2cccs2)n1 75777 WFGHTLAMYSDPCC-UHFFFAOYSA-N 263.322 2.574 0 30 CFAC C[C@H]1CC[C@@H](C)N1CCCOC(=O)c1ccccc1O 1999275 TVNKQHWRADJSQD-BETUJISGSA-N 277.364 2.812 0 30 CFAC in-man CCOC(=O)c1ccc2c(Br)cccn12 238265485 XLUFRMPXHOBVCU-UHFFFAOYSA-N 268.110 2.879 0 30 CFAC C[C@@H]1CCc2c(c(SCC(N)=O)nc3ccccc23)C1 1325313 BFZWEJAZTKTFEF-SNVBAGLBSA-N 286.400 2.937 0 30 CFAC Cc1cc(C(=O)c2ccccc2)c(C(=O)O)cc1N 95935085 VMRVCCJQIXPRQU-UHFFFAOYSA-N 255.273 2.506 0 30 CFAC C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@H]2O 8866 PROQIPRRNZUXQM-LMMHAMTPSA-N 288.387 2.580 0 30 CFAC endogenous,in-man COC(=O)[C@@H](O)CCCc1ccc(C(F)(F)F)cc1 238853058 IEIFVPXMSCENBV-NSHDSACASA-N 276.254 2.562 0 30 CFAC COC(=O)COc1ccc(/C=C/c2ccc[nH]2)cc1 137283646 MKHOUYKOJXYACI-QPJJXVBHSA-N 257.289 2.737 0 30 CFAC CCCC[C@]1(Cl)C(=O)c2cccc3c2N(CC3)C1=O 39123872 BAUOHOMSEPGRII-HNNXBMFYSA-N 277.751 2.940 0 30 CFAC CN(C)c1ccc(NC(=O)c2cc(F)ccc2O)cc1 5849271 FYHOKTAGCSHOCH-UHFFFAOYSA-N 274.295 2.850 0 30 CFAC Fc1cccc(N2CCN(c3ccccc3)CC2)n1 40711556 WOKMWTVKXDFKCO-UHFFFAOYSA-N 257.312 2.547 0 30 CFAC CCOCOc1c(OC)ccc(C=O)c1Br 2265351451 ACWNFSWDWFYGEH-UHFFFAOYSA-N 289.125 2.643 0 30 CFAC O=C(O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 54634381 VEJUUPQZBSPJHP-LBPRGKRZSA-N 274.238 2.739 0 30 CFAC Cc1csc2ncnc(N3C[C@H](C)O[C@@H](C)C3)c12 82571 FSQNVOAXKORLCC-UWVGGRQHSA-N 263.366 2.613 0 30 CFAC Cc1cc(S(=O)(=O)n2cccc2)c(C)cc1Cl 91280 BOSZFNBVEKJXSK-UHFFFAOYSA-N 269.753 2.995 0 30 CFAC Cc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 67809 KVNBQXNFUHAKMY-NSHDSACASA-N 278.739 2.537 0 30 CFAC CN(C(=O)OC(C)(C)C)[C@H](CC(=O)O)Cc1ccccc1 238303855 NYUOLAAWURHWID-ZDUSSCGKSA-N 293.363 2.939 0 30 CFAC O=C(OCc1ccccc1)N1CCC(C2COC2)CC1 307027489 LQVYNAPBJBOWQK-UHFFFAOYSA-N 275.348 2.682 0 30 CFAC COc1ccc(OC)c(Sc2ncccc2C(=O)O)c1 131943 XCMCGMQCBXMWIX-UHFFFAOYSA-N 291.328 2.948 0 30 CFAC O=C(O)C1(c2ccc(F)c(Br)c2)CC1 84610706 HRZSVSXYCYMFEJ-UHFFFAOYSA-N 259.074 2.704 0 30 CFAC C[C@@H](c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O 2002765 RLWRMIYXDPXIEX-LURJTMIESA-N 272.135 2.559 0 30 CFAC in-man OCCc1cc(Br)ccc1Br 116545417 ALPGCUJQYZFROA-UHFFFAOYSA-N 279.959 2.746 0 30 CFAC COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)N1[C@H](C)c1ccccc1 105507807 PWUWUKQPSOGOPL-UNQGMJICSA-N 257.333 2.550 0 30 CFAC O=C(O)Cc1ccc(SCC(F)(F)F)cc1 82990776 SJGIDCUCFVATDL-UHFFFAOYSA-N 250.241 2.968 0 30 CFAC O=C(O)c1ccc(-c2nccc(C(F)(F)F)n2)cc1 95935439 QGGFOOKKCCDNGZ-UHFFFAOYSA-N 268.194 2.861 0 30 CFAC N[C@@]1(c2ccccc2)CCN(Cc2ccccc2)C1 211445212 MENLHMNABZXCRV-KRWDZBQOSA-N 252.361 2.747 0 30 CFAC COC(=O)c1ccc([C@@H](O)c2ccc(OC)cc2)cc1 40435083 AUIQIMFIWKCQJI-OAHLLOKOSA-N 272.300 2.564 0 30 CFAC CC(=O)[C@@H]1CNc2ccccc2[C@]1(O)c1ccccc1 101996 UZLRBRKFIOLNTB-DOTOQJQBSA-N 267.328 2.553 0 30 CFAC C[C@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 238804153 DTKPKZJZDMQSQF-JQWIXIFHSA-N 250.342 2.600 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](Nc2nccc(Cl)n2)C1 95083036 CMIBVRQDTUSAQP-VIFPVBQESA-N 298.774 2.551 0 30 CFAC CC(C)C[C@H](C)NC[C@H](C)OC(=O)c1ccc(N)cc1 1715251 MQBUEWKGVRLTTI-STQMWFEESA-N 278.396 2.838 0 30 CFAC COC(=O)c1nsc2ccc(Br)cc12 150023287 OBBHRFRSQRYCBQ-UHFFFAOYSA-N 272.123 2.845 0 30 CFAC Brc1cc(NCCc2ccccn2)ccn1 390153820 UKQSYMVHEIDXSW-UHFFFAOYSA-N 278.153 2.894 0 30 CFAC Cc1cc(O)cc2c1CN(C(=O)OC(C)(C)C)CC2 223352322 XCFYMMVVRXUULH-UHFFFAOYSA-N 263.337 2.994 0 30 CFAC NC1=Nc2ccc(Cl)cc2[C@]1(O)c1ccccc1 94590 AUHPEHFGZROMSA-CQSZACIVSA-N 258.708 2.578 0 30 CFAC O=C1NC(=O)C(=Cc2ccc(Oc3cnccn3)cc2)S1 2265239514 FDMPJXJGUSUZED-UHFFFAOYSA-N 299.311 2.593 0 30 CFAC C[C@@H]1CN(C(=N)c2ccc(Cl)cc2)C[C@@H](C)O1 13464783 QBUIZOZCKUPZGT-NXEZZACHSA-N 252.745 2.775 0 30 CFAC Cc1ccc(F)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100393828 WJXDKPWTSGNFDO-ZNIXKSQXSA-N 289.306 2.596 0 30 CFAC CCOC(=O)C1CCC(O[C@H]2CCCCO2)CC1 117791535 BNWFSNDPHHMKNO-BPCQOVAHSA-N 256.342 2.652 0 30 CFAC in-vitro COC(=O)CCCc1ccc(NC(=O)C(F)(F)F)cc1 1730500 PTVYRPUPPYROIW-UHFFFAOYSA-N 289.253 2.683 0 30 CFAC O=C(Nc1cccc(Cl)c1)O[C@@H]1CN2CCC1CC2 129741 QCWZYJPDPROWAC-CYBMUJFWSA-N 280.755 2.983 0 30 CFAC CCOC(=O)c1[nH]c2cnccc2c1Br 117392043 OFXDCMIHNCXHBR-UHFFFAOYSA-N 269.098 2.502 0 30 CFAC COc1cc2c(cc1Br)CCCC2=O 141362834 AGDXYXYEJYKZQK-UHFFFAOYSA-N 255.111 2.977 0 30 CFAC COC(=O)c1cc(Cl)cc(Cl)c1NC(C)=O 196291607 XSNLYTCGIMUUQY-UHFFFAOYSA-N 262.092 2.738 0 30 CFAC C[C@@H](Cc1ccc(Br)cc1F)C(=O)O 40377463 YGZBJWJAPYZTHX-LURJTMIESA-N 261.090 2.851 0 30 CFAC O=c1c2ccccc2cnn1CCc1ccccc1 69822 ZJCKNLURCSCHHN-UHFFFAOYSA-N 250.301 2.639 0 30 CFAC CCc1nc2c(O)cccc2c(=O)n1-c1ccccc1 39124446 DZUQBZYOFXLKHI-UHFFFAOYSA-N 266.300 2.654 0 30 CFAC O=C1C[C@H](c2ccccc2)[C@H](Cc2ccccc2)N1 97054034 ZNVNYYURYXRQTJ-CVEARBPZSA-N 251.329 2.901 0 30 CFAC in-vitro CCOC(=O)O[C@@H](OCC)C(Cl)(Cl)Cl 5650825 PDKPYZSLHWQFNU-RXMQYKEDSA-N 265.520 2.892 0 30 CFAC O=C(NCCc1ccccc1)c1cccc2nsnc12 12340999 DPGIJZXWSSNCIA-UHFFFAOYSA-N 283.356 2.664 0 30 CFAC Cc1cccc(C)c1N1C[C@H](C(=O)OC(C)(C)C)CC1=O 116641430 DQATVCILLLCLQE-CYBMUJFWSA-N 289.375 2.998 0 30 CFAC Cc1ccc2ncnc(Oc3ncccc3N)c2c1 78977 HOWKYGCIVDJTEX-UHFFFAOYSA-N 252.277 2.708 0 30 CFAC CC(=NNc1ccccc1)C(=NO)C(=O)Nc1ccccc1 254592812 IQRAHLCXWWBGLE-UHFFFAOYSA-N 296.330 2.943 0 30 CFAC CC[C@@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1 215470756 GQYZSJXTZVUDFF-HNNXBMFYSA-N 277.320 2.652 0 30 CFAC CC[C@H](O)CN(C[C@@H](O)CC)c1cc(C)cc(C)c1 38645499 MNHPEUKMVUMQQH-HOTGVXAUSA-N 265.397 2.652 0 30 CFAC Cc1ccc(C(=O)Cc2ccc([S@@](C)=O)cc2)cn1 39044500 NSLOBCYFRMBVDZ-IBGZPJMESA-N 273.357 2.553 0 30 CFAC C[C@@H]1CCCC[C@H]1C(=O)CNC(=O)OC(C)(C)C 685959527 ZJWDNFVGTBOUOW-GHMZBOCLSA-N 255.358 2.907 0 30 CFAC Fc1ccc2[nH]c(I)cc2c1 98095725 JLKBFTSWAACSAY-UHFFFAOYSA-N 261.037 2.912 0 30 CFAC c1ccc(CN2C[C@@]34CCCC[C@]3(CNC4)C2)cc1 757068377 KJMBUOZESIYYAR-IRXDYDNUSA-N 256.393 2.652 0 30 CFAC CCCC[C@H](CC)C(=O)NCCCCCC(=O)O 5822032 GRPDJDFTHPKLAT-LBPRGKRZSA-N 257.374 2.964 0 30 CFAC Fc1ccc(Br)c(OC2CCNCC2)c1 72233109 WAJQDKIRJHQUAW-UHFFFAOYSA-N 274.133 2.719 0 30 CFAC COC(=O)c1cncc2ccc(Br)cc12 238334888 LQNPZRWYMUESFQ-UHFFFAOYSA-N 266.094 2.784 0 30 CFAC C[C@@H](NC(=O)NCc1ccc(C(=O)O)o1)c1cccs1 94555780 YFSMQBUTIJVPSM-MRVPVSSYSA-N 294.332 2.600 0 30 CFAC CC(C)=CCC/C(C)=C/C(OC[C@H](C)O)OC[C@H](C)O 142171348 MAOZUHCHTZKVDC-FQSSWDBKSA-N 286.412 2.800 0 30 CFAC CCOC(=O)c1nc(CC)sc1Br 144634503 MNHYPMJTWCPVTG-UHFFFAOYSA-N 264.144 2.645 0 30 CFAC CCc1ccc(NCN2C(=O)C3=C(CCCC3)C2=O)cc1 152245 RGFOILVUQJBPQZ-UHFFFAOYSA-N 284.359 2.858 0 30 CFAC CCOC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 76872036 JXJJXVKJXFKALA-QWRGUYRKSA-N 271.357 2.633 0 30 CFAC COC(=O)C1=Cc2cc(Br)ccc2NCC1 90513121 HGSQDSPBTISAAV-UHFFFAOYSA-N 282.137 2.821 0 30 CFAC CC(=O)N(C)C(=O)Oc1cc(C)c(C)cc1Cl 145449413 LYSDRQOEUNRMKO-UHFFFAOYSA-N 255.701 2.934 0 30 CFAC COC(=N)c1nccnc1SCc1ccc(F)cc1 100216440 GSJIYUDBOLKPDR-UHFFFAOYSA-N 277.324 2.880 0 30 CFAC O=C(O)CCNC(=S)Nc1ccc(Cl)c(Cl)c1 71642 XAQLHUKSPBNFKP-UHFFFAOYSA-N 293.175 2.755 0 30 CFAC NCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 149807778 OVKVPPWNVZWRHA-UHFFFAOYSA-N 290.366 2.672 0 30 CFAC O=C(c1cccc(Br)c1)[C@@H]1CCOC1 82456432 JKCDYHQZYZXPIW-SECBINFHSA-N 255.111 2.668 0 30 CFAC COC(=O)c1ccc2c(OC)c(OC)c(OC)cc2c1 32270172 POZJFDUKFIWVOQ-UHFFFAOYSA-N 276.288 2.652 0 30 CFAC O=C1CS[C@H](c2cccnc2)N1Cc1cccs1 99772 FNJLCUXPWCMWOG-CYBMUJFWSA-N 276.386 2.917 0 30 CFAC CCC1(CO[P@](C)(=O)OC)COP(C)(=O)OC1 5819481 CFIFBLCPLCPITL-VHPFEVRTSA-N 286.201 2.738 0 30 CFAC O=C1C[C@H](c2ccccc2)[C@@H](Cc2ccccc2)N1 97054032 ZNVNYYURYXRQTJ-HZPDHXFCSA-N 251.329 2.901 0 30 CFAC in-vitro FC(F)(F)c1ncc(I)s1 642886480 WBQFTQKFZGMMFT-UHFFFAOYSA-N 279.024 2.767 0 30 CFAC CC(C)N(CCOC(=O)c1ccc(N)cc1)C(C)C 5314602 YRWIQNLXLDWTKU-UHFFFAOYSA-N 264.369 2.544 0 30 CFAC COc1ccc2c(c1)c(CCO)cn2C(=O)OC(C)(C)C 14984949 LOYCSWSQMLVADI-UHFFFAOYSA-N 291.347 2.968 0 30 CFAC O=C1C[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2N1 85020 HGEJEUMWEMVDEN-AWEZNQCLSA-N 287.340 2.544 0 30 CFAC O=C(Nc1nc2ccsc2c(=O)s1)c1ccccc1 119517 SXMHYMTYDVPFOG-UHFFFAOYSA-N 288.353 2.970 0 30 CFAC CNC(=O)Nc1ccc(Oc2cncc(Cl)c2)nc1 1031414 TYOKSELSJXVZSP-UHFFFAOYSA-N 278.699 2.674 0 30 CFAC CCN(CC)CCC[C@H](C)OC(=O)c1ccc(N)cc1 1853787 WOMLUWFEGZNNQJ-ZDUSSCGKSA-N 278.396 2.936 0 30 CFAC CC1=CC[C@H]2C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]2C1 18213195 OVROUVHCPILLMJ-MNOVXSKESA-N 277.270 2.811 0 30 CFAC Cc1ccc(Cl)c2cc(C(=O)O)c(C(=O)O)nc12 32099510 OACYTXMHYQXITK-UHFFFAOYSA-N 265.652 2.593 0 30 CFAC Cn1nccc1NC(=O)Nc1ccc(Cl)cc1 116243 HWUMTZXDNKJWRS-UHFFFAOYSA-N 250.689 2.718 0 30 CFAC NC(=O)OCC(Cl)(Cl)[C@@H](O)c1ccc(Cl)cc1 2039535 RENLSHPSGMACFW-QMMMGPOBSA-N 298.553 2.643 0 30 CFAC CC(=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 104252774 ILAOUOUXCAJISP-WBMJQRKESA-N 269.300 2.683 0 30 CFAC CC(C)(C)C[C@@H]1CNCCN1C(=O)OC(C)(C)C 96952422 WMUXBLXFHKCHQI-LLVKDONJSA-N 256.390 2.632 0 30 CFAC COc1cc2oc(=O)ccc2c(OC)c1CC(=O)C(C)C 14767849 UBBJEHXBMMIIEU-UHFFFAOYSA-N 290.315 2.578 0 30 CFAC biogenic C[C@H](Cc1ccc(Br)cc1F)C(=O)O 40377464 YGZBJWJAPYZTHX-ZCFIWIBFSA-N 261.090 2.851 0 30 CFAC CC(C)(C)OC(=O)N1CC=C(c2ccncn2)CC1 904791401 IOPNMMXSEQBYGN-UHFFFAOYSA-N 261.325 2.501 0 30 CFAC COc1ccc(C(=O)Cn2c(=O)oc3ccc(C)cc32)cc1 147966 XNQAUQLKKDBKJW-UHFFFAOYSA-N 297.310 2.794 0 30 CFAC CC(=O)S[C@H]1CCN(C(=O)OCc2ccccc2)C1 44137901 TVOUMCXPTLKCDU-ZDUSSCGKSA-N 279.361 2.677 0 30 CFAC Cc1nc2ccccc2c(=O)n1-c1cccnc1Cl 39407269 KABQWHWDXASKFS-UHFFFAOYSA-N 271.707 2.743 0 30 CFAC S=C(Nc1cc(Cl)ccc1Cl)Nn1cnnc1 150423 ZSVBLXKIRLSBQN-UHFFFAOYSA-N 288.163 2.525 0 30 CFAC CC(C)NC(=O)Oc1noc2ccc(Cl)cc12 75933 YQMGOBWADZNHPX-UHFFFAOYSA-N 254.673 2.978 0 30 CFAC CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CCN 36154736 PJPADIHDUZOYIQ-AWEZNQCLSA-N 276.380 2.870 0 30 CFAC CCCC[C@@](CC)(NC(=O)OC(C)(C)C)C(=O)O 69550322 OLQGAAOIXLBCCT-CYBMUJFWSA-N 259.346 2.935 0 30 CFAC O=NN1CCN(c2ccc(C(F)(F)F)cc2)CC1 2265385828 YNNNTEMDCIRZGS-UHFFFAOYSA-N 259.231 2.509 0 30 CFAC c1ccc(CN2C[C@H]3CC[C@@H](C2)C2(C3)OCCO2)cc1 307705338 YGFYMHFTXVDYSE-HOTGVXAUSA-N 273.376 2.662 0 30 CFAC NCCc1cc(Br)ccc1Br 36180136 BJWMXULBNPTTOW-UHFFFAOYSA-N 278.975 2.713 0 30 CFAC CCCCCCC1=C[C@@H](NC#N)C(C)=C[C@@H]1NC#N 2529761 YGDZVBSMCUIXMN-CABCVRRESA-N 258.369 2.722 0 30 CFAC Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1N 231890946 RGPSZSLCDXQUJX-UHFFFAOYSA-N 280.331 2.716 0 30 CFAC O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)CCC3 5039 DIDFYSQVOPVZQB-KRWDZBQOSA-N 294.398 2.757 0 30 CFAC CC(=NOCc1ccc([N+](=O)[O-])cc1)c1ccccn1 4106571 NAGVWQOOMXRCMN-UHFFFAOYSA-N 271.276 2.931 0 30 CFAC COc1ccc(CN)cc1NC(=O)OC(C)(C)C 218079855 CHJRYOOUXWZJJG-UHFFFAOYSA-N 252.314 2.501 0 30 CFAC O=C(O)CC[S@@](=O)c1cc(Cl)ccc1Cl 44375301 QBNJIMOKEXOFNS-HNNXBMFYSA-N 267.133 2.576 0 30 CFAC Cc1ccccc1-n1c(C)nc2ccc(N)cc2c1=O 1849167 GOZTWIXHTIBOHQ-UHFFFAOYSA-N 265.316 2.585 0 30 CFAC NNC(=S)Nc1ccc(C(F)(F)F)cc1Cl 13658599 OKASJIDCQZCGPN-UHFFFAOYSA-N 269.679 2.519 0 30 CFAC NC[C@H](c1ccccc1)c1ccc2c(c1)OCCO2 85165 PZCVDWCXOZQXQS-CQSZACIVSA-N 255.317 2.548 0 30 CFAC O=S(=O)(Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1O 74656 VYXJJRMZUCWARE-QWHCGFSZSA-N 288.796 2.558 0 30 CFAC COc1ccc(-c2nc(=O)c3ccccc3o2)cc1OC 157659 JPCLTEQQFHBWIV-UHFFFAOYSA-N 283.283 2.872 0 30 CFAC O=C(COc1ccccc1O)NCc1ccccc1Cl 74067 ITPCLVHVSCNJJO-UHFFFAOYSA-N 291.734 2.741 0 30 CFAC C[C@H]1CCCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 102934280 FDMGLVGIDWLXTC-ZDEQEGDKSA-N 252.427 2.781 0 30 CFAC Cc1cccc([C@H](NCc2ccccc2)C(=O)O)c1 37952370 JXAYSCVCTAFHKY-HNNXBMFYSA-N 255.317 2.911 0 30 CFAC C[C@@H](N)c1cc(Br)cnc1Br 231234628 WBVBXIAJYNKMND-SCSAIBSYSA-N 279.963 2.626 0 30 CFAC N[C@H](Cc1cc(F)c(F)cc1F)CC(F)(F)F 757092281 KKLWGJFLKANWIP-ZCFIWIBFSA-N 257.177 2.926 0 30 CFAC CON=CC(C#N)=NNc1ccc(Cl)cc1Cl 263627816 STJYUOPTSQSBAS-UHFFFAOYSA-N 271.107 2.917 0 30 CFAC Fc1cccc(Cl)c1Cn1nnc(N2CCCCC2)n1 89050 NTIKKEOWCGHYFV-UHFFFAOYSA-N 295.749 2.504 0 30 CFAC NC(=O)[C@@H]1CCC[C@@H]2c3cc(Cl)ccc3N[C@H]12 13677634 NYORQUCSPQVLTE-LNLATYFQSA-N 250.729 2.503 0 30 CFAC O=C1NC(c2ccccc2)=N/C1=C/c1ccc(F)cc1 160463 NDYLXWCAIVXJCQ-GXDHUFHOSA-N 266.275 2.743 0 30 CFAC CC(=O)O[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 4336578 STKVKMWPEKULAN-DLBZAZTESA-N 282.295 2.935 0 30 CFAC biogenic C[C@@H]1CN(c2ccc(Cl)cc2C=O)C[C@@H](C)O1 98089602 DCYDQVKYKLVSHT-NXEZZACHSA-N 253.729 2.766 0 30 CFAC CC(C)C(=O)Nc1cccc([C@H]2CN3CCSC3=N2)c1 4212236 YWDWYOALXURQPZ-CYBMUJFWSA-N 289.404 2.741 0 30 CFAC in-man Brc1ccn2c(Br)ncc2c1 214845508 WMWZLXZZZLYFNG-UHFFFAOYSA-N 275.931 2.859 0 30 CFAC Cc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)O)C2 2265385422 WCOPLQNYRWIJFH-QWHCGFSZSA-N 291.347 2.818 0 30 CFAC Cc1c(-c2ccn[nH]2)sc2nc(C(F)(F)F)nn12 124324 XFAZGHPEQTXXKG-UHFFFAOYSA-N 273.243 2.508 0 30 CFAC CCOC(=O)c1cc2c(OC)cc3c(c2[nH]1)CCC3 21987238 QLFZMOHIMSKLMK-UHFFFAOYSA-N 259.305 2.842 0 30 CFAC COC(=O)COc1ccc(SC(F)(F)F)cc1 93566 AOHQFPJMUJOUJQ-UHFFFAOYSA-N 266.240 2.850 0 30 CFAC COc1ccc2c(c1)C[C@@H](C(=O)O)N(Cc1ccccc1)C2 247940179 ICPVFSJPIOJNQX-KRWDZBQOSA-N 297.354 2.707 0 30 CFAC CCCCNc1c(C(=O)OCC)cnc2c1cnn2CC 21290032 IQNQAOGGWGCROX-UHFFFAOYSA-N 290.367 2.840 0 30 CFAC in-man C[C@@]1(C(=O)O)CCN(c2c(F)c(F)c(F)c(F)c2F)C1 62933506 YZYHAHZYFHKETG-GFCCVEGCSA-N 295.207 2.683 0 30 CFAC CCOC(=O)[C@@H]1CC12CCN(Cc1ccccc1)CC2 390775041 NZQANHGDSBBELG-HNNXBMFYSA-N 273.376 2.852 0 30 CFAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CCN)C2 382674278 JKQASXYMCLUHSJ-RYUDHWBXSA-N 254.374 2.513 0 30 CFAC COC(=O)c1ccc2ncccc2c1Br 584639972 RLAIGZCUJYYBQM-UHFFFAOYSA-N 266.094 2.784 0 30 CFAC COc1c(C)cc(C)cc1I 113419125 NUFMNKCVGHHXSS-UHFFFAOYSA-N 262.090 2.917 0 30 CFAC Cc1nn(C)c(Oc2ccc(Cl)cc2)c1/C=N/O 988258 YUVMJYFFUIYJGS-VGOFMYFVSA-N 265.700 2.982 0 30 CFAC CCOC(=O)[C@H](CC)C(=O)Oc1c(F)cc(F)cc1F 604934924 ASPFZIBDIGSMFV-QMMMGPOBSA-N 290.237 2.599 0 30 CFAC O=C(O)CSCc1nc(-c2ccc(Cl)cc2)no1 119115 ZLCPVHRIXYNZTR-UHFFFAOYSA-N 284.724 2.708 0 30 CFAC COC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1420819 MQTZOEBAYINESE-NSHDSACASA-N 271.357 2.587 0 30 CFAC CCN(CC)CCNC(=O)C[C@H](C)c1ccccc1 2000806 BLPZYUOAGSFQPF-AWEZNQCLSA-N 262.397 2.638 0 30 CFAC c1ccc(CNCCOc2cccc3c2OCCO3)cc1 31622895 FQMXTQIAQDTDHG-UHFFFAOYSA-N 285.343 2.626 0 30 CFAC CCOC(=O)c1csc([C@H]2Cc3ccccc3O2)n1 123999329 FWRGWDHYODPULM-GFCCVEGCSA-N 275.329 2.996 0 30 CFAC O=C(O)/C=C/C(=O)NCC(c1ccccc1)c1ccccc1 90615094 NBSXUVKSFYCHGN-VAWYXSNFSA-N 295.338 2.576 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](CCCC(F)(F)F)C(=O)O 44296619 IUCAIZFOVHKRTO-ZETCQYMHSA-N 285.262 2.697 0 30 CFAC CCN(CC)CCN(C(C)=O)c1c(C)cccc1C 1995445 FRPGXBGPVFHULS-UHFFFAOYSA-N 262.397 2.998 0 30 CFAC CC(C)(C)OC(=O)N[C@H](CCN)c1ccc(F)cc1 2527655 RJFQPCWLHIKHOZ-GFCCVEGCSA-N 268.332 2.740 0 30 CFAC CCCCc1c(O)nc2sc3ccccc3n2c1=O 12368364 OGAJVRIQKOMJBJ-UHFFFAOYSA-N 274.345 2.957 0 30 CFAC CC(C)(C)OC(=O)N1C=C(/C=C/C(=O)O)CCC1 309973138 OWDISXJXJDHILH-VOTSOKGWSA-N 253.298 2.542 0 30 CFAC CC(C)(C)OC(=O)N1CCCN(CC2CCC2)CC1 39711857 ZEUADVXJCJXMBT-UHFFFAOYSA-N 268.401 2.729 0 30 CFAC Brc1ccc2cc3c(nc2c1)OCC3 32099826 QXFSLQWFIWBCKD-UHFFFAOYSA-N 250.095 2.932 0 30 CFAC Cc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1 20006269 VZZGFQREUXMKFR-UHFFFAOYSA-N 276.361 2.686 0 30 CFAC CCOC(=O)c1cc(Br)cc(Cl)c1N 37475476 SYDQBEZVAQLCSQ-UHFFFAOYSA-N 278.533 2.861 0 30 CFAC in-vitro O=C1Cc2ccccc2N1C(=O)OCc1ccccc1 238790460 KIONZLXDINWNAP-UHFFFAOYSA-N 267.284 2.913 0 30 CFAC Cc1cccc(C)c1NC(=O)[C@@H]1CN2CCC1CC2 6071706 HCIRLKXASKPUHN-CQSZACIVSA-N 258.365 2.584 0 30 CFAC CCCCCCC(=O)[C@@H](CC(=O)OCC)C(=O)OCC 37624983 NKNFGGHGGJYCQR-GFCCVEGCSA-N 286.368 2.658 0 30 CFAC C[C@@H](N[C@H](CCC(F)(F)F)C(N)=O)c1ccccc1 95079974 AYAIJXOLOYQFPL-MWLCHTKSSA-N 274.286 2.534 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CCCc2oc(C(=O)O)cc2C1 958536954 WDVVOFQWNNNNMR-UHFFFAOYSA-N 281.308 2.661 0 30 CFAC COc1ccccc1[C@H](N)[C@H](C)NC(=O)OC(C)(C)C 407060439 GUFIHQIUXBCALK-GXFFZTMASA-N 280.368 2.608 0 30 CFAC OC1(c2ccc(Br)s2)CCOCC1 139556542 QCQYIXZZFCNASH-UHFFFAOYSA-N 263.156 2.509 0 30 CFAC CCc1ccccc1Cn1c(=O)oc2cccnc21 148265 XTZVKWCDGUIAAR-UHFFFAOYSA-N 254.289 2.600 0 30 CFAC COc1cccc2c(=O)[nH]c(-c3ccccc3)nc12 13782466 XMLHWESTKAFTNA-UHFFFAOYSA-N 252.273 2.599 0 30 CFAC in-vivo O=c1c(Nc2ccccc2)c(O)/c1=N\c1ccccc1 100069037 BYSFTBLOYNHPIQ-NBVRZTHBSA-N 264.284 2.604 0 30 CFAC CCCc1c(O)ccc2c(=O)cc(C(=O)OC)sc12 133089 IZIBDMYWPDTMMT-UHFFFAOYSA-N 278.329 2.706 0 30 CFAC c1ccc(CN2C[C@]34CCCC[C@@]3(CNC4)C2)cc1 757068376 KJMBUOZESIYYAR-IAGOWNOFSA-N 256.393 2.652 0 30 CFAC CC[C@H]1C(=O)Nc2ccc(F)cc2N1C(=O)OC(C)C 3916138 KELNNWMENBUHNS-NSHDSACASA-N 280.299 2.908 0 30 CFAC in-man Cc1nc(N)[nH]c(=O)c1Cc1c(Cl)cccc1Cl 13468261 DIUKPTOWRXHNLH-UHFFFAOYSA-N 284.146 2.558 0 30 CFAC Cc1noc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)n1 49399912 NSFQPLKIOGATTG-UHFFFAOYSA-N 289.188 2.788 0 30 CFAC CCOC(C)=NNC(=O)c1ccc(C(F)(F)F)cc1 4060622 GPERAPHAUXRALL-UHFFFAOYSA-N 274.242 2.805 0 30 CFAC CC(C)(C)c1csc(CS(=O)(=O)c2ccccn2)n1 120823 NTKCCQNHRGSRLG-UHFFFAOYSA-N 296.417 2.810 0 30 CFAC CN(C)[C@@H]1CCN(Cc2ccc(Br)cc2)C1 62967776 FRVFROZNDCOFKY-CYBMUJFWSA-N 283.213 2.585 0 30 CFAC CC[C@H](CO)NC(=S)Nc1c(C)cc(C)cc1C 71780 AMUGHPHPKUQDTQ-GFCCVEGCSA-N 266.410 2.669 0 30 CFAC Nc1cccc2c(S(=O)(=O)N3CCCCC3)cccc12 173246 CPNHVLGXXUPGIS-UHFFFAOYSA-N 290.388 2.597 0 30 CFAC Cc1ccccc1C(=O)Nc1ccnc2[nH]ncc12 45796606 KXONXQKLHPCCPG-UHFFFAOYSA-N 252.277 2.519 0 30 CFAC Cc1cc(C(=O)Nc2cccnc2)nn1C(C)(C)C 127723 SMPFLBSUCZUJBD-UHFFFAOYSA-N 258.325 2.594 0 30 CFAC CC(C)NCC[C@@H](O)COc1cccc2ccccc12 5760446 IMYHAHXEGVXRLD-OAHLLOKOSA-N 273.376 2.968 0 30 CFAC O=C(OCc1ccccc1)N1CCC2(CCC2=O)CC1 145782932 SVKFWHCFUVQMLM-UHFFFAOYSA-N 273.332 2.768 0 30 CFAC CC(=O)NCCc1c[nH]c2ccc(Br)cc12 13379858 GLPQMYRAWZFYFL-UHFFFAOYSA-N 281.153 2.609 0 30 CFAC CN(C)c1cccc([C@@H]2C(=O)Nc3ccc(F)cc32)c1 238790548 FODWRTXJQCZXMS-HNNXBMFYSA-N 270.307 2.976 0 30 CFAC S=C(Nc1ccc2c(c1)CCC2)N1CCSCC1 172820 IYIDVTNOCBPUEP-UHFFFAOYSA-N 278.446 2.921 0 30 CFAC CC(C)(C)OC(=O)Nc1ccccc1CCCN 238206087 SJWVQJVELMSZQX-UHFFFAOYSA-N 250.342 2.925 0 30 CFAC N#CCc1ccc(NC(=O)C2=CCCC[C@@H]2C(=O)O)cc1 153214 JJTZUUQSNKZLPJ-AWEZNQCLSA-N 284.315 2.502 0 30 CFAC Fc1cc(Br)cnc1OCC(F)(F)F 218813095 QOPGQXVUCSGIRY-UHFFFAOYSA-N 274.011 2.924 0 30 CFAC CN(C)CCN1C(=O)c2cccnc2Sc2ccccc21 1024 ZEWJVHFRQFCLFW-UHFFFAOYSA-N 299.399 2.755 0 30 CFAC in-man Nc1nc2c(Br)cccc2nc1Cl 222206103 LAGFNKDMCYDIAL-UHFFFAOYSA-N 258.506 2.628 0 30 CFAC CC(C)(C)OC(=O)NC12CCCCC(C(=O)O)(C1)C2 690704213 NKTUDUAICQEDTO-UHFFFAOYSA-N 269.341 2.689 0 30 CFAC CC(C)c1ccc(NC(=S)NCCC(=O)O)cc1 90101 XQOHNOXJKNDKIP-UHFFFAOYSA-N 266.366 2.571 0 30 CFAC CC(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 153709 XLQXDNJDLNDFAU-UHFFFAOYSA-N 259.334 2.614 0 30 CFAC FC(F)[C@@H]1NCCc2cc(Br)ccc21 220961733 CLUAOEKHVWOXPD-SECBINFHSA-N 262.097 2.901 0 30 CFAC CC(C)(C)OC(=O)N(CCC(=O)O)OCc1ccccc1 61943208 JRAPRTBHKBYHCK-UHFFFAOYSA-N 295.335 2.830 0 30 CFAC CC(=O)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1 92483 YITRXRFSEINDLY-UHFFFAOYSA-N 283.736 2.581 0 30 CFAC O=C(NCc1nccc(Cl)n1)OCc1ccccc1 95642211 OHBNBELKDQYRJV-UHFFFAOYSA-N 277.711 2.556 0 30 CFAC CC(C)(C)[C@@](O)(Cc1ccccc1Cl)Cn1cncn1 34078154 DETXAJGVVCIVAK-OAHLLOKOSA-N 293.798 2.951 0 30 CFAC Fc1ccc(Nc2ncnc(-n3cccc3)n2)cc1 89655 FWKMKGUMNXZECL-UHFFFAOYSA-N 255.256 2.545 0 30 CFAC CN(Cc1cccc(S(=O)(=O)O)c1)c1ccccc1 2512164 JIYCNHGAAQDQTN-UHFFFAOYSA-N 277.345 2.570 0 30 CFAC O=Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 101354327 KSKSPJRZIDFHCW-UHFFFAOYSA-N 270.244 2.660 0 30 CFAC CC(C)(C)OC(=O)N1CCc2cccc(O)c2CC1 118106928 DAJYPAOLINAEGA-UHFFFAOYSA-N 263.337 2.728 0 30 CFAC COC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)N1[C@@H](C)c1ccccc1 142810859 PWUWUKQPSOGOPL-MYPMTAMASA-N 257.333 2.550 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](C[C@H]1CC=CCC1)C(=O)O 44294806 PABLWCRQESJOMP-QWRGUYRKSA-N 269.341 2.711 0 30 CFAC CC[C@@](C#N)(C(=O)O)c1c(F)c(F)c(F)c(F)c1F 96329101 CQAYPONNLVVJEF-NSHDSACASA-N 279.164 2.638 0 30 CFAC CC(=O)N1CC[C@@H]1c1ccc(Br)cc1 216013204 RDHPWJJOGHGTJV-LLVKDONJSA-N 254.127 2.742 0 30 CFAC O[C@@]1(c2ccccc2)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C(F)(F)[C@H]42 252428746 YEEPAVCGRNCSTQ-WRQGCNQWSA-N 274.310 2.897 0 30 CFAC Cc1cccc(C(=O)NC(=O)c2ccccc2O)c1C 157603 LIIHCINIFJCMNZ-UHFFFAOYSA-N 269.300 2.579 0 30 CFAC NC(=O)CSc1nc2ccc(Cl)cc2s1 107010 BHFJUYJMRYJUIU-UHFFFAOYSA-N 258.755 2.527 0 30 CFAC Cc1coc2c1[C@H]1C=C(CC[C@@H]3O[C@]3(C)C2)C(=O)O1 3596856 NJMLHRWYACXVHJ-IFUGULHKSA-N 260.289 2.606 0 30 CFAC biogenic Cc1onc(-c2ccccc2)c1-c1ccnc(N)n1 124065 XWMBSXFOZPVNQH-UHFFFAOYSA-N 252.277 2.689 0 30 CFAC in-vitro C[C@H](OC(=O)CCC(=O)O)C12CC3CC(CC(C3)C1)C2 5734738 HCTVUXYVRWXMGI-HXTFMFRQSA-N 280.364 2.999 0 30 CFAC COc1c(Br)cncc1C(=O)OC(C)(C)C 1083806299 FRSZMIUNBASLNE-UHFFFAOYSA-N 288.141 2.808 0 30 CFAC O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)OCc1ccccc1 45028217 LTEORMGXUMWZCU-CHWSQXEVSA-N 277.320 2.556 0 30 CFAC O=C1CC2(CCCC2)C(=O)N1CCc1cccs1 66492 XLEODNFWBDHFLK-UHFFFAOYSA-N 263.362 2.610 0 30 CFAC CC(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 105580 JQHUBONEVIYRMU-UHFFFAOYSA-N 274.364 2.500 0 30 CFAC O=C1c2ccccc2O[C@]2(C(=O)Nc3ccccc3)C[C@H]12 27862550 IQXKCVCVMGJCGV-CXAGYDPISA-N 279.295 2.659 0 30 CFAC CCO[P@](N)(=O)Oc1ccccc1C(=O)OC(C)C 2521481 UTWLXZREXZOYNV-IBGZPJMESA-N 287.252 2.734 0 30 CFAC CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)O 5434485 QKCTTYONJNFOSV-UHFFFAOYSA-N 276.119 2.586 0 30 CFAC C[C@@H](O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 96282468 RQIRUEDHDVTKPM-GFCCVEGCSA-N 286.375 2.791 0 30 CFAC COc1ccc(C2=N[C](c3ccccc3)C(=O)O2)cc1 100138051 YWWXNLGXRFUCFC-UHFFFAOYSA-N 266.276 2.579 0 30 CFAC CNC1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 253496080 CDNDQGCEQFEPRJ-YOGCLGLASA-N 254.374 2.526 0 30 CFAC CCCOC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 38613768 NOHWSHIQJRPKOC-MGPQQGTHSA-N 283.412 2.764 0 30 CFAC Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1 79033946 BYOCVLCQUZBHNT-UHFFFAOYSA-N 272.329 2.582 0 30 CFAC in-vitro NC[C@H](OCC(F)(F)F)c1cccc(Cl)c1 43017049 RDWMADJVIJGDQD-VIFPVBQESA-N 253.651 2.919 0 30 CFAC CCCC[C@H](OC(C)=O)[C@@H]1CCC[C@H]1OC(C)=O 256090350 ONAHSEWODDXPPF-MELADBBJSA-N 256.342 2.840 0 30 CFAC CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)C(=O)C(F)(F)F 604973098 LJWTWAVRWNNNCK-FXPVBKGRSA-N 252.276 2.941 0 30 CFAC Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@H]2C3)cc1 102924321 JLWCRSGTBCGNOC-STQMWFEESA-N 265.378 2.558 0 30 CFAC Fc1cccc(Cl)c1CNC[C@H]1CCCNC1 437174572 XLFBKLKGDIIQKQ-JTQLQIEISA-N 256.752 2.568 0 30 CFAC O=C1CCCCN1CCOc1cccc(Br)c1 49600578 CMASSNQFVQKJMC-UHFFFAOYSA-N 298.180 2.840 0 30 CFAC in-vitro FC(F)(F)c1ncc(Br)c(Cl)n1 114881686 BCRNREZBLNQCLX-UHFFFAOYSA-N 261.428 2.911 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H]1C1(C(=O)O)CC1 214742004 JVTZDHMQPMJADV-JTQLQIEISA-N 269.341 2.641 0 30 CFAC Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 37034681 HYOGLAFXVRSKCG-UHFFFAOYSA-N 251.158 2.799 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccccc3O2)C1 95931840 XTSAFRNBZZVKLZ-UHFFFAOYSA-N 289.331 2.641 0 30 CFAC in-vitro CN(C)[C@H]1CCN(Cc2ccc(Br)cc2)C1 62967777 FRVFROZNDCOFKY-ZDUSSCGKSA-N 283.213 2.585 0 30 CFAC Cc1nc(Br)c(C)nc1Br 30678583 FSIFCRKBMPJZKD-UHFFFAOYSA-N 265.936 2.618 0 30 CFAC C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 39117810 PKESANRWRSNJHN-SECBINFHSA-N 250.294 2.614 0 30 CFAC CC(C)(C)OC(=O)N1CCC2(CCC(CN)CC2)C1 95084609 QGOAVXOTAAWYTL-UHFFFAOYSA-N 268.401 2.763 0 30 CFAC Oc1nc2ccccc2nc1NN=Cc1ccccc1F 254381404 MGRBQRLFVADMDN-UHFFFAOYSA-N 282.278 2.921 0 30 CFAC O=C(O)c1ccc(C(F)(F)F)nc1OCC(F)(F)F 94338191 WXSOPTBPJOTNBP-UHFFFAOYSA-N 289.131 2.740 0 30 CFAC CCCC[C@H](OC(C)=O)[C@@H]1CCC[C@@H]1OC(C)=O 33608267 ONAHSEWODDXPPF-IHRRRGAJSA-N 256.342 2.840 0 30 CFAC CC(C)OC(=O)[C@@H](C)SC(=O)c1ccccc1 96336252 NQAAONKADAFGQF-SNVBAGLBSA-N 252.335 2.900 0 30 CFAC CCOC(=O)C1=C(O)C2(CC2)N(Cc2ccccc2)CC1 953018939 FEIMYCGAWZAKST-UHFFFAOYSA-N 287.359 2.800 0 30 CFAC CC(C)(C)OC(=O)NC[C@H]1CNc2ccc(F)cc2C1 84805817 KUMMTDDXNNNQPQ-SNVBAGLBSA-N 280.343 2.935 0 30 CFAC C[C@@H]1CCCCN1CCCOC(=O)COc1ccccc1 1844569 DPFSZEXJIOUDSW-OAHLLOKOSA-N 291.391 2.873 0 30 CFAC CC(C)(C)OC(=O)N[C@H](CCc1cccc(F)c1)C(=O)O 95749083 QHYYPOGNLIBZLB-GFCCVEGCSA-N 297.326 2.736 0 30 CFAC Cc1ccc(C(F)(F)CN)c(Br)c1 306588739 NOVULHYDQZXQFQ-UHFFFAOYSA-N 250.086 2.808 0 30 CFAC Brc1cccc2c3c([nH]c12)CNCC3 25965899 QDAJATJOFYZEDN-UHFFFAOYSA-N 251.127 2.576 0 30 CFAC in-vivo CCN1CN=C(SCc2ccc(Cl)cc2)NC1 144733 MLYLBKFCYZAKLD-UHFFFAOYSA-N 269.801 2.769 0 30 CFAC CC(C)(C)OC(=O)c1ccccc1C(=O)CCC(=O)O 2579857 KNIVAYZPMIUHLX-UHFFFAOYSA-N 278.304 2.689 0 30 CFAC CCC(=O)C1(C(=O)OC)CC(OCc2ccccc2)C1 407985964 UUKGHKCCJGFSHB-UHFFFAOYSA-N 276.332 2.504 0 30 CFAC CC1=NN(c2ncnc3sc4c(c23)CCCC4)C(=O)C1 160378 YMPWMVUTCTYCIR-UHFFFAOYSA-N 286.360 2.683 0 30 CFAC CC(C)N1C[C@H](COc2ccccc2Cl)OC1=O 74126 VOCJQKCODJTPII-SNVBAGLBSA-N 269.728 2.948 0 30 CFAC Cc1ccc(S(=O)(=O)n2cc(C)c3cccnc32)cc1 79034084 UAGWUCCOKDIIDM-UHFFFAOYSA-N 286.356 2.890 0 30 CFAC Cc1cc(Br)ccc1C(=O)NC1CC1 48209389 OJCAKOFFLWVGEA-UHFFFAOYSA-N 254.127 2.650 0 30 CFAC C[C@@H]1[C@H](C(=O)O)[C@@H]1c1cccc(Br)c1 253486177 VFFFMLOGCLWPOH-JUWDTYFHSA-N 255.111 2.883 0 30 CFAC O=C1NCCCc2[nH]c3cc(Br)ccc3c21 115009316 ZEEHYNLUCWDQLI-UHFFFAOYSA-N 279.137 2.606 0 30 CFAC COc1cc(OC)c(C(=O)c2ccccc2)cc1OC 2167424 CWXBRVFPEIGVSF-UHFFFAOYSA-N 272.300 2.943 0 30 CFAC biogenic CCOC(=O)c1cc(Br)cc(F)c1[N+](=O)[O-] 396056993 LZZJEJYCFFHWGF-UHFFFAOYSA-N 292.060 2.673 0 30 CFAC CC1CCC([C@@H](NC(=O)OC(C)(C)C)C(=O)O)CC1 85070385 MUOXYNIOJBUOCL-VQXHTEKXSA-N 271.357 2.791 0 30 CFAC CC1(C)S[C@H](c2ccc(Cl)cc2)N[C@H]1C(=O)O 4370177 OPPTYCHIMHGTEV-VHSXEESVSA-N 271.769 2.907 0 30 CFAC O=C(NCC[C@@H]1CCc2ccccc21)c1ccccn1 33875418 ONFRBRFOQADVEM-AWEZNQCLSA-N 266.344 2.932 0 30 CFAC O=Cc1cc2nc(OCc3ccccc3)ccc2[nH]1 30678231 HGLOHKVPXDPTQO-UHFFFAOYSA-N 252.273 2.954 0 30 CFAC Brc1ccc2c(c1)NC[C@@H]1CCCN21 76694929 BIFDYVJBZHGOEA-VIFPVBQESA-N 253.143 2.843 0 30 CFAC CC[C@H](C(=O)NCCN(CC)CC)c1ccccc1 2000807 NDIIVXRJVKIBCQ-HNNXBMFYSA-N 262.397 2.638 0 30 CFAC CC1CCC(NC[C@@H](C)OC(=O)c2ccc(N)cc2)CC1 1995984 ZXMQXYDIZIYSAX-MFOWVQHXSA-N 290.407 2.982 0 30 CFAC CC(C)[C@H](O)C(=O)C[C@H](C)CCC(=O)c1ccoc1 5412472 HCPDJZNVPUCXHZ-ABAIWWIYSA-N 266.337 2.855 0 30 CFAC endogenous,in-man CC1(C)OB(c2ccc3c(c2)C(=O)CCCC3)OC1(C)C 396170915 XPUGGSZQWKOSDU-UHFFFAOYSA-N 286.180 2.895 0 30 CFAC CC(=O)c1ccc(CNC(=O)OC(C)(C)C)nc1C 88611605 VYLMXAGMXNQEFV-UHFFFAOYSA-N 264.325 2.617 0 30 CFAC in-vitro CC1(CC23CC(I)(C2)C3)COC1 2265385113 CMOREHTXKIDFLY-UHFFFAOYSA-N 278.133 2.771 0 30 CFAC O=C1Nc2cc(Br)ccc2/C1=C/c1cnc[nH]1 100186204 GPYLFDWSJZVQHO-WMZJFQQLSA-N 290.120 2.665 0 30 CFAC CC1(C)CN(C(=S)Nc2ccc(F)cc2F)C1=O 93465 UBPDRMUBUKZJMM-UHFFFAOYSA-N 270.304 2.530 0 30 CFAC O=C(O)[C@H](Cc1ccccc1)C(=O)Oc1cccs1 238790208 NUQZNPUGPUCYJL-NSHDSACASA-N 276.313 2.597 0 30 CFAC CC(=O)n1ccc2ccc(I)cc21 42689364 FFKBIPHTDBIHPM-UHFFFAOYSA-N 285.084 2.906 0 30 CFAC CN(C)C[C@@H](OC(=O)c1ccc(N)cc1)c1ccccc1 1997823 CEKOPAVBIKRJKH-MRXNPFEDSA-N 284.359 2.729 0 30 CFAC OCc1ccc(-c2nnc(S)n2-c2ccccc2)cc1 149903860 LIJAPSQOHGPQGW-UHFFFAOYSA-N 283.356 2.715 0 30 CFAC Cc1nn(C)c2c1-c1cncn1[C@H](Cc1ccccc1)CO2 725712239 LBUUTHXDIPLNCB-CQSZACIVSA-N 294.358 2.768 0 30 CFAC Cc1ccc(Nc2ccc(S(=O)(=O)O)cc2)cc1 96328300 GFGKDEONXVNCHI-UHFFFAOYSA-N 263.318 2.985 0 30 CFAC COc1ccc(CN)cc1COCc1ccccc1 16942100 MYEPIBMRMZQPDH-UHFFFAOYSA-N 257.333 2.871 0 30 CFAC CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=NO)c1ccccc1 254379201 MVRJKCVBRDYVOI-HNNXBMFYSA-N 293.326 2.904 0 30 CFAC CCCNC[C@H]1CCCCN1C(=O)OC(C)(C)C 233089230 YJUMMNBTKRFXOA-GFCCVEGCSA-N 256.390 2.776 0 30 CFAC O=C(NCc1ccc(F)cc1)c1cccc2nsnc12 12341005 YHNIQWGFJJZAHQ-UHFFFAOYSA-N 287.319 2.760 0 30 CFAC CN(C)C=NC(=O)NOCc1ccc(Cl)c(Cl)c1 254759926 UCZOOPPLUIDQPY-UHFFFAOYSA-N 290.150 2.725 0 30 CFAC NS(=O)(=O)c1ccccc1-c1cccc(Cl)c1 1242146848 IVPOLULWJOBXNR-UHFFFAOYSA-N 267.737 2.654 0 30 CFAC CC(=O)CC(=O)OC[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 256313339 OAGHHOVAANMDCH-ODXJTPSBSA-N 250.338 2.581 0 30 CFAC Brc1ccc2c(c1)N1CCC[C@@H]1CN2 87261133 GYVQDQVRYZTQCV-SECBINFHSA-N 253.143 2.843 0 30 CFAC O=S(=O)(c1ccccc1)n1ccc2cc(Cl)ncc21 95920041 VTBQYNZEQUKKLE-UHFFFAOYSA-N 292.747 2.927 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CCC(c2ncc(CN)s2)CC1 382727671 ROYHBOQFRACKTG-UHFFFAOYSA-N 297.424 2.716 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C(=O)C(C)(C)[C@@H]21 521399072 XWSDAVMHFAVCMI-VHSXEESVSA-N 253.342 2.611 0 30 CFAC N[C@@H](c1cc(Cl)cc(Cl)c1)C(F)(F)C(=O)O 95777871 CRBYNZBCXYEFFT-ZETCQYMHSA-N 270.062 2.713 0 30 CFAC CC(=O)CC(=O)OC[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 256313344 OAGHHOVAANMDCH-QSLWVIQJSA-N 250.338 2.581 0 30 CFAC C[C@@H]1[C@H](C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C 260244061 WGILMBITEGFAGY-SKDRFNHKSA-N 277.320 2.998 0 30 CFAC CC(=O)Nc1cc2cc(-n3cccc3)ccc2oc1=O 167498 KVZVQQTZZJICJM-UHFFFAOYSA-N 268.272 2.542 0 30 CFAC NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20286722 KTVCRQQSDOZEPA-UHFFFAOYSA-N 279.693 2.681 0 30 CFAC CC(C)OC(=O)C[C@@H](CC(=O)O)c1ccccc1 39117843 GUFHYTPYSRPZCE-GFCCVEGCSA-N 250.294 2.587 0 30 CFAC Brc1ccc2c(c1)CC[C@]1(CCCNC1)O2 72233105 VMCHMHIUYNFYRO-ZDUSSCGKSA-N 282.181 2.896 0 30 CFAC O=C1NN=C(c2cccs2)C[C@@H]1c1ccccc1 129228 BHAADCVCPUHYLF-LLVKDONJSA-N 256.330 2.756 0 30 CFAC O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN1 85221554 UYECSIRRUVGDMV-INIZCTEOSA-N 294.354 2.608 0 30 CFAC O=C1c2nccnc2C(=O)N1c1cc(Cl)cc(Cl)c1 68912 AJKNMHVUPSXWIZ-UHFFFAOYSA-N 294.097 2.584 0 30 CFAC CCOC(=O)c1cc2ccc(F)cc2nc1C(=O)OCC 32099635 ACSRSJJSENUCTJ-UHFFFAOYSA-N 291.278 2.727 0 30 CFAC COc1cc2ncc(C(=O)O)c(Cl)c2cc1OC 90528953 UTTQAMSJDMUWLB-UHFFFAOYSA-N 267.668 2.604 0 30 CFAC CC(=O)[C@H]1CNc2ccccc2[C@@]1(O)c1ccccc1 101989 UZLRBRKFIOLNTB-WBVHZDCISA-N 267.328 2.553 0 30 CFAC CC(=O)N1CC[C@H]1c1ccc(Br)cc1 216013244 RDHPWJJOGHGTJV-NSHDSACASA-N 254.127 2.742 0 30 CFAC COC(=O)c1nsc2cc(Br)ccc12 84192700 SYHZKIFISNPPNF-UHFFFAOYSA-N 272.123 2.845 0 30 CFAC CC(C)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1 585164201 DWXJVOAHFRGKEW-AWEZNQCLSA-N 261.321 2.623 0 30 CFAC CN(C)c1ccccc1C[S@](=O)c1nc2ccccc2[nH]1 5115388 JVIHSTYYPRUSFG-OAQYLSRUSA-N 299.399 2.937 0 30 CFAC O=C1C[C@@H](c2ccccc2)[C@@H](Cc2ccccc2)N1 97054022 ZNVNYYURYXRQTJ-JKSUJKDBSA-N 251.329 2.901 0 30 CFAC in-vitro CCC1(CC)COC2(OC1)C(=O)Nc1ccc(F)cc12 4371548 PYLVVBGBPCHKOG-UHFFFAOYSA-N 279.311 2.784 0 30 CFAC C[C@H](CN1C(=O)CCc2ccc(O)cc21)N1CCCCC1 1997193 UODZETJISHYYBP-CYBMUJFWSA-N 288.391 2.546 0 30 CFAC OCCCCCCC(O)(C(F)(F)F)C(F)(F)F 198461582 KXXYOKWKLSYEEX-UHFFFAOYSA-N 268.197 2.785 0 30 CFAC B[PH]1(c2ccccc2)O[C@H](c2ccccc2)[C@H](C)N1C 299803394 NXANJNCNWVXITI-BBRMVZONSA-N 285.136 2.532 0 30 CFAC O=C(NCc1csc(-c2cccs2)n1)C1CC1 131565 UIGQYQRWMHDHDA-UHFFFAOYSA-N 264.375 2.898 0 30 CFAC Oc1cc(O)cc([C@@H]2CCc3c(O)cc(O)cc3O2)c1 14728014 WXLIFFAJEOTPPL-AWEZNQCLSA-N 274.272 2.575 0 30 CFAC O=C(O)[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 72233171 UGCIWWFJQQRKOR-NKWVEPMBSA-N 259.074 2.776 0 30 CFAC Fc1ccc(CCN2CCC(c3c[nH]cn3)CC2)cc1 96336969 OECNSKPDZCPEQC-UHFFFAOYSA-N 273.355 2.971 0 30 CFAC COc1ccc(CC(=O)c2ccc(O)cc2O)c(OC)c1 3198372 PBIQFUNTNXYFGO-UHFFFAOYSA-N 288.299 2.540 0 30 CFAC CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(Cl)n1 98113876 VDAGIWRCCKIILV-GXSJLCMTSA-N 255.749 2.746 0 30 CFAC CCCN(CCC)C(=S)N[C@H]1C[C@H]2C=C[C@H]1C2 100234568 WZXURTAHRGLECZ-AVGNSLFASA-N 252.427 2.948 0 30 CFAC C[C@H](Br)C(=O)C[C@H](C(=O)O)c1ccccc1 6020030 DNDCKTJRGLMEAR-WPRPVWTQSA-N 285.137 2.597 0 30 CFAC COC(=O)[C@@H]1CCc2cc(Br)ccc21 95803913 HPFPEFZNIZENAN-SNVBAGLBSA-N 255.111 2.652 0 30 CFAC Cn1c(S)nnc1-c1ncc(C(F)(F)F)cc1Cl 124440 HHKVFCJIADRGJF-UHFFFAOYSA-N 294.689 2.838 0 30 CFAC O=S(=O)(O)c1ccccc1NCc1ccccc1 83459145 MPUUPHNZUMFOSI-UHFFFAOYSA-N 263.318 2.545 0 30 CFAC C=C[Sn](C=C)(C=C)c1ccccc1 195766913 QFFPDACBFGDFBS-UHFFFAOYSA-N 276.955 2.518 0 30 CFAC CCCN(Cc1ccccc1)[C@@H](CN)C(F)(F)F 37169686 ZYLHVDLMXXBRHF-LBPRGKRZSA-N 260.303 2.788 0 30 CFAC in-vitro Brc1ccc(-c2cc3n(n2)CCCNC3)cc1 2265364203 ZGQWVGITTQMVMN-UHFFFAOYSA-N 292.180 2.806 0 30 CFAC CON=Cc1ccccc1OCc1nnsc1Cl 254863218 HNCYRHFCWXLKBU-UHFFFAOYSA-N 283.740 2.751 0 30 CFAC CC(C)(C)OC(=O)NC1CCCC(C(=O)O)CCC1 725261159 QSECTEZQKZSVKI-UHFFFAOYSA-N 271.357 2.935 0 30 CFAC CC1=C(C)C[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2C1 13467604 GUENEOZTYZJOSH-STQMWFEESA-N 299.326 2.651 0 30 CFAC CCOC(=O)CCc1ccc(OC)cc1Br 113823512 HAIAIUYIFATCCZ-UHFFFAOYSA-N 287.153 2.953 0 30 CFAC Cc1ccc(-c2ncn(C)n2)cc1Br 143413891 WRWPFPJQDBKIGS-UHFFFAOYSA-N 252.115 2.553 0 30 CFAC Cc1c(Cl)ccc2cc(C(=O)O)c(C(=O)O)nc12 32099616 YXOVOXUMRLKDKF-UHFFFAOYSA-N 265.652 2.593 0 30 CFAC COc1c(C)cc([N+](=O)[O-])cc1I 218030906 YXJUUBDOTCMEMJ-UHFFFAOYSA-N 293.060 2.516 0 30 CFAC COCCOc1cc(Br)cc(F)c1F 39325855 DFDPUUILKYVKSU-UHFFFAOYSA-N 267.069 2.753 0 30 CFAC COc1ccc(I)c(F)c1F 71606491 DLUIPVAOKAGWHK-UHFFFAOYSA-N 270.016 2.578 0 30 CFAC CC(=O)SC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95082868 BITFMQSSLMFIJK-NSHDSACASA-N 273.398 2.913 0 30 CFAC CC(=O)N1[C@@H](C(=O)O)C(C)(C)S[C@@H]1c1ccc(C)cc1 4370901 OOKWFQQDDHURHZ-QWHCGFSZSA-N 293.388 2.821 0 30 CFAC CCOCCOC(=O)c1nc2cc(Cl)ccc2o1 1853408 HNJUBRBHULQQFX-UHFFFAOYSA-N 269.684 2.675 0 30 CFAC in-man Nc1cccc(I)c1Cl 141509795 GGDLKPRIUZCGNE-UHFFFAOYSA-N 253.470 2.527 0 30 CFAC NCCc1c[nH]c2c(Br)ccc(F)c12 95616831 SAXIVAFUGZYGID-UHFFFAOYSA-N 257.106 2.571 0 30 CFAC Cc1noc(C2(C)CCN(C(=O)OC(C)(C)C)CC2)n1 95347858 DMYCCMHLYVGOMA-UHFFFAOYSA-N 281.356 2.667 0 30 CFAC in-vitro COC(=O)[C@@H]1CCN[C@@H](c2cccc(Cl)c2)C1 257845361 ADFBOZGIGWDLPK-ZYHUDNBSSA-N 253.729 2.554 0 30 CFAC CC1(C)CCC(C)(C)c2cc(S(N)(=O)=O)ccc21 116983904 LVQNHGUNBDPOOT-UHFFFAOYSA-N 267.394 2.683 0 30 CFAC CCCCN(CCO)COc1nsc2ccccc12 38647004 WEWBIJGRAIWBLG-UHFFFAOYSA-N 280.393 2.727 0 30 CFAC CN(C)P(c1ccccc1Br)N(C)C 143143162 FAQGPSZKPXSGQJ-UHFFFAOYSA-N 275.130 2.510 0 30 CFAC CCOC(=O)[C@@H]1CCC[C@H]1NC(=O)OCc1ccccc1 98087484 HHLVBYDRFDRWTE-ZIAGYGMSSA-N 291.347 2.645 0 30 CFAC CNC(=O)Nc1ccc(C2SCCS2)cc1 166056 GJDKGSWWIJZRQN-UHFFFAOYSA-N 254.380 2.917 0 30 CFAC CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2NC1 669371485 AOIIOUQUKIGXNI-LBPRGKRZSA-N 262.353 2.938 0 30 CFAC Cc1ccnc(NC(=O)CSc2ccccn2)c1 138138 ADSOGGRBDHCSEE-UHFFFAOYSA-N 259.334 2.516 0 30 CFAC O[C@@]1(C(F)(F)F)CC(c2ccc3c(c2)CCCC3)=NN1 114700 JGTIGAHJGZJYJD-CYBMUJFWSA-N 284.281 2.514 0 30 CFAC Cc1cnc(N)nc1-c1ccc(Br)cc1 38579754 BURIASGCYPGUNH-UHFFFAOYSA-N 264.126 2.797 0 30 CFAC COC[C@H](C)NCc1ccc(Br)c(F)c1 91437050 VXLUAZQKBMNRGZ-QMMMGPOBSA-N 276.149 2.713 0 30 CFAC NCCN[C@@H](c1ccccc1)c1ccc(Cl)cc1 19368757 SDIDMUGFQCMLAB-HNNXBMFYSA-N 260.768 2.978 0 30 CFAC IC12CC(CCC3COC3)(C1)C2 2265385133 GEVCWYNKSHAZOL-UHFFFAOYSA-N 278.133 2.771 0 30 CFAC C[C@H]1OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 78029 OEBOZCABBNTGJW-RXMQYKEDSA-N 260.076 2.865 0 30 CFAC C[C@@H](O)CCn1cc(CN)c2ccc(Cl)cc21 122869804 FXTFFLXYJXKRAO-SECBINFHSA-N 252.745 2.524 0 30 CFAC NCC1(NC(=O)c2cccc(F)c2)CCCCCC1 12357027 OIJYKEXUMQJOED-UHFFFAOYSA-N 264.344 2.607 0 30 CFAC CC(C)(C)OC(=O)N1CCN(C2CCCCC2)CC1 121027408 ORXKBWINKNLAAY-UHFFFAOYSA-N 268.401 2.872 0 30 CFAC NC[C@H]1CC[C@@H](C(=O)c2ccc(CCC(=O)O)cc2)CC1 145740527 NVBZUCIQNYPGCI-CTYIDZIISA-N 289.375 2.652 0 30 CFAC Cc1ccccc1Nc1ccc(N)cc1S(=O)(=O)O 95934842 CDZMAELOOPVWRI-UHFFFAOYSA-N 278.333 2.568 0 30 CFAC CC(=O)N1CCC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 238057133 HANVRKLNBZYTDF-MRXNPFEDSA-N 296.411 2.646 0 30 CFAC CCOC(Cn1ccnc1-c1ccccc1)OCC 104359136 PODJFFPKJOLITJ-UHFFFAOYSA-N 260.337 2.949 0 30 CFAC Cc1c(Cl)cc(C(C)C)c(O)c1S(=O)(=O)O 33607234 QGEKXSHWVFUHHA-UHFFFAOYSA-N 264.730 2.724 0 30 CFAC CNc1ncnc2c1cnn2Cc1cccc(Cl)c1 71193992 IOKNLRCEKPFKIE-UHFFFAOYSA-N 273.727 2.570 0 30 CFAC COc1cc(C(=O)c2cc(Cl)ccc2N)ccc1O 83390 GEMBWQKMFLLTRG-UHFFFAOYSA-N 277.707 2.867 0 30 CFAC O[C@@H]1[C@H]2CC[C@@]1(c1cccc(Br)c1)C2 675081220 MQJDXFJZQIGOEF-AXTRIDKLSA-N 253.139 2.862 0 30 CFAC C[C@H](c1ccc(C(F)(F)F)nc1)[S@@](C)(=N)=O 114402517 SDEFOCWEOKCRJR-KXHHVGMCSA-N 252.261 2.838 0 30 CFAC COc1cc2c(cc1Br)CCC[C@@H]2N 238397276 YLGNAIPBTRAJLB-JTQLQIEISA-N 256.143 2.794 0 30 CFAC O=C(O)C=CC(=O)Nc1ccc(Cl)cc1Cl 12359044 WFWKZRKAECLVSE-UHFFFAOYSA-N 260.076 2.573 0 30 CFAC CN(C)CCn1ccc2ccc(Br)cc21 39366400 NKMYHEIUENBMNX-UHFFFAOYSA-N 267.170 2.965 0 30 CFAC CNCCC(c1ccc(N)cc1)c1ccc(N)cc1 5318694 VQYGGBMTMQOQMC-UHFFFAOYSA-N 255.365 2.592 0 30 CFAC COc1ccc2c(c1)[C@@H](N)CCN2C(=O)OC(C)(C)C 709658452 XCLTUFAGXNEJAX-LBPRGKRZSA-N 278.352 2.840 0 30 CFAC CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@@H]1N(C)C 2014723 WDEFBBTXULIOBB-RDJZCZTQSA-N 273.376 2.768 0 30 CFAC biogenic,in-man O=C(Cc1nc2ccccc2oc1=O)c1ccccc1 13117253 FQENJNZYUGCSGH-UHFFFAOYSA-N 265.268 2.613 0 30 CFAC Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccco3)C2)cc1 13675224 NNSLQCQCMFBQHJ-CYBMUJFWSA-N 285.372 2.983 0 30 CFAC Oc1ccc(-c2nnc(Br)s2)cc1 71051385 UCOHTXUDPYYVQF-UHFFFAOYSA-N 257.112 2.673 0 30 CFAC CC(C)(C)OC(=O)Nc1cc(Cl)c(C(=O)O)cn1 95642544 JRKNDUUHXWDBTQ-UHFFFAOYSA-N 272.688 2.780 0 30 CFAC N#CCc1ccc(NC(=O)C2=CCCC[C@H]2C(=O)O)cc1 153213 JJTZUUQSNKZLPJ-CQSZACIVSA-N 284.315 2.502 0 30 CFAC COC(=O)c1c(-c2ccccc2)noc1C=CN(C)C 33337192 JXQHBAVMYRYIIX-UHFFFAOYSA-N 272.304 2.661 0 30 CFAC COc1cc(C=O)c(N)cc1OCc1ccccc1 95931668 OEYAUKWPLZOARO-UHFFFAOYSA-N 257.289 2.669 0 30 CFAC O[C@@H](CSc1nc2ccccc2o1)C(F)(F)F 68878421 LPPSBUZMLPQOBT-QMMMGPOBSA-N 263.240 2.843 0 30 CFAC Cc1ccc(S(=O)(=O)N2Cc3ccccc3C=N2)cc1 32168162 NHHIRDLJWQZLTH-UHFFFAOYSA-N 286.356 2.533 0 30 CFAC Cc1c(O)c(Br)cc(Br)c1O 6068801 NJIVTNAPTHUGDR-UHFFFAOYSA-N 281.931 2.931 0 30 CFAC Cc1cccc(C)c1N1C[C@@H](C(=O)OC(C)(C)C)CC1=O 116641432 DQATVCILLLCLQE-ZDUSSCGKSA-N 289.375 2.998 0 30 CFAC CC[C@@]1(N)CCCN(C(=O)OCc2ccccc2)C1 685945590 BDHPKIILCCGPJS-OAHLLOKOSA-N 262.353 2.527 0 30 CFAC COc1ccccc1OCc1cc(CN)ccc1F 19406078 VLJYAIKKHRSXGT-UHFFFAOYSA-N 261.296 2.872 0 30 CFAC in-vitro O=c1c(Br)c[nH]c2c(F)ccc(F)c12 41702127 SITHZSREFZNZNB-UHFFFAOYSA-N 260.037 2.569 0 30 CFAC COC(=O)Cc1c(F)cc(F)c(Br)c1F 260253745 CAYIKUNBSLLUNX-UHFFFAOYSA-N 283.043 2.582 0 30 CFAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC12CCCCC2 2265360052 LTOZWRLGNATHFH-JTQLQIEISA-N 269.341 2.783 0 30 CFAC Cc1ccc(C(=O)C2=NNC[C@@H]2c2ccccc2)cc1 4343444 BXKYGDOINXGPNI-OAHLLOKOSA-N 264.328 2.921 0 30 CFAC C[C@@H](NC(=O)OCc1ccccc1)C1CCOCC1 204939921 DJAVAERFHHUYSH-GFCCVEGCSA-N 263.337 2.728 0 30 CFAC COC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1420820 MQTZOEBAYINESE-LLVKDONJSA-N 271.357 2.587 0 30 CFAC CCN(Cc1ccccc1)c1ccc(S(=O)(=O)O)cc1 1848496 OZBLZWHUFCFATD-UHFFFAOYSA-N 291.372 2.960 0 30 CFAC CC1(C)OC(=O)C(=C2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)C(=O)O1 2265293947 SIYYOHROEIZBBC-DTIDVZRVSA-N 276.332 2.575 0 30 CFAC COc1ccc(NC(=O)c2cccc3nsnc23)cc1 12340936 ATYAFLXPQCPUPH-UHFFFAOYSA-N 285.328 2.952 0 30 CFAC CC(C)(C)OC(=O)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1 35570233 XZDKWHJKECRQNG-UHFFFAOYSA-N 288.303 2.730 0 30 CFAC FC(F)(F)c1ccc2nc(-n3ccnc3)[nH]c2c1 95931561 GGMWPRBFBQARQJ-UHFFFAOYSA-N 252.199 2.767 0 30 CFAC CCOC(=O)c1c(N)sc2ccc(Cl)nc12 95616762 AXSUZXWECZNPPG-UHFFFAOYSA-N 256.714 2.709 0 30 CFAC CC(C)C[C@@H](C)NC[C@H](C)OC(=O)c1ccc(N)cc1 1715250 MQBUEWKGVRLTTI-OLZOCXBDSA-N 278.396 2.838 0 30 CFAC CCOC(=O)CCCN(C(=O)OC(C)(C)C)C1CC1 2265369595 LZEKXHLGCDNXJQ-UHFFFAOYSA-N 271.357 2.729 0 30 CFAC O=C(Nc1ccc2nsnc2c1)[C@H]1Cc2ccccc2O1 12340862 QXMXVFBHKPSQJL-CQSZACIVSA-N 297.339 2.634 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@H](N)[C@H]2C1 306216180 BSSUBMYYRYHUSD-RDBSUJKOSA-N 274.364 2.651 0 30 CFAC CCOc1ccc(OCC)c(N(CC)C(C)=O)c1 5851281 MTUKOVJLVPAXGQ-UHFFFAOYSA-N 251.326 2.857 0 30 CFAC CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccccc1 163211 GEKSXCGZMRSDHW-CQSZACIVSA-N 288.347 2.562 0 30 CFAC Cc1ccc([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1 134489 AXGIZGVQGTZGBP-QWRGUYRKSA-N 251.351 2.562 0 30 CFAC COC(=O)[C@@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 396151831 AYGNLFWZEHRYBL-LRDDRELGSA-N 297.395 2.977 0 30 CFAC Cc1noc(C)c1S(=O)(=O)Oc1ccc(Cl)cc1 2150423 AEGHAKRWXOUUEZ-UHFFFAOYSA-N 287.724 2.713 0 30 CFAC CCCC(=O)Oc1ccccc1/C=C/C(=O)OCC 38646765 ALJYPZLVMYTXLG-ZHACJKMWSA-N 262.305 2.968 0 30 CFAC B[PH]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C)N1C 299803396 NXANJNCNWVXITI-CZUORRHYSA-N 285.136 2.532 0 30 CFAC O=C(O)c1cccc2ccc(Br)nc12 258107043 WXDSGBPDRWWPQS-UHFFFAOYSA-N 252.067 2.696 0 30 CFAC O=C1C[C@@H](c2ccccc2)[C@H](Cc2ccccc2)N1 97054028 ZNVNYYURYXRQTJ-HOTGVXAUSA-N 251.329 2.901 0 30 CFAC in-vitro O[C@@H]1CCCC[C@@H]1N1CC[C@H](OCc2ccccc2)C1 142477223 KOZXDMVFYPKCCY-YESZJQIVSA-N 275.392 2.581 0 30 CFAC Cc1ccc(C(=O)c2cn(C)nc2C(F)F)cc1 2265362015 CNBSPUUMTLQEHT-UHFFFAOYSA-N 250.248 2.897 0 30 CFAC CCOC(=O)CCc1c(C(=O)OCC)[nH]c2ccccc12 108675 DWZVVLPJTIMRGQ-UHFFFAOYSA-N 289.331 2.840 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](C2CCCC2)C1 218954964 BXHXRUYOHJRSRO-NWDGAFQWSA-N 283.368 2.744 0 30 CFAC COC(=O)[C@@H]1CCNc2ccc(Br)cc21 84802812 DCQXYNDRHYFYQX-MRVPVSSYSA-N 270.126 2.521 0 30 CFAC Cc1cc(Br)ccc1C(=O)N1CCCC1 36457802 WUEUKUKQZUDQIF-UHFFFAOYSA-N 268.154 2.994 0 30 CFAC COC(=O)c1ccc([C@H](O)c2ccc(OC)cc2)cc1 40435084 AUIQIMFIWKCQJI-HNNXBMFYSA-N 272.300 2.564 0 30 CFAC O=C(O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1ccccc1 382674708 LPMRHXFWNPQQEQ-IRXDYDNUSA-N 297.354 2.713 0 30 CFAC CC(C)(C(=O)O)c1ccc(Br)c(F)c1 34639256 WCGPKDCSKROTPW-UHFFFAOYSA-N 261.090 2.950 0 30 CFAC Cn1ncc(NC(=O)OC(C)(C)C)c1Br 606297191 OUJBNTIXYZUIFA-UHFFFAOYSA-N 276.134 2.530 0 30 CFAC Cc1cc(OCc2ccccc2)cc(O)c1C(=O)O 5924422 SESUNWLPIOCOJI-UHFFFAOYSA-N 258.273 2.978 0 30 CFAC CCOC(=O)c1cnc2c(cnn2CC)c1SCC 5956946 DAPJSAWQRYKJBL-UHFFFAOYSA-N 279.365 2.740 0 30 CFAC O=S(=O)(O)c1cc2oc(S)nc2c2ccccc12 38612165 UKQWXPPSPXPABG-UHFFFAOYSA-N 281.314 2.516 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2CCC(=O)C[C@H]2C1 76695014 NDYOYBIEJAHUTD-MNOVXSKESA-N 253.342 2.613 0 30 CFAC COc1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1 40937719 VEMDTFVUDJLJKF-UHFFFAOYSA-N 275.699 2.759 0 30 CFAC CN1CCC(Oc2ccc(N)cc2C(F)(F)F)CC1 41018660 FYCJYWMLKZJUNJ-UHFFFAOYSA-N 274.286 2.761 0 30 CFAC CC(C)(C)OC(=O)N1CC(Cc2cccc(C(=O)O)c2)C1 238172066 NMUDTOIGWGOZEK-UHFFFAOYSA-N 291.347 2.794 0 30 CFAC COC(=O)c1ccc(Br)cc1OC(F)F 95348065 VAOQPVDNXYVDBL-UHFFFAOYSA-N 281.052 2.837 0 30 CFAC Cc1nc(COc2ccccc2Cl)[nH]c(=O)c1Cl 13469775 YEOUMCKKQMNJRV-UHFFFAOYSA-N 285.130 2.964 0 30 CFAC Cc1c([C@@H](C)O)oc2ccc(C3=CC(=O)OC3)cc12 6069230 MQNWWJVIEQBJJO-SECBINFHSA-N 258.273 2.735 0 30 CFAC CNCCCN1c2ccccc2NC(=O)c2ccccc21 2000193 XOMDALGJAOGYEC-UHFFFAOYSA-N 281.359 3.000 0 30 CFAC COC(=O)[C@H]1[C@H]2C=C[C@@H](C2)N1[C@@H](C)c1ccccc1 109163283 PWUWUKQPSOGOPL-CYUUQNCZSA-N 257.333 2.550 0 30 CFAC CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2F)CC1 35605984 UDOCGQWNCVEJNF-UHFFFAOYSA-N 296.342 2.588 0 30 CFAC NCc1cn2cc(C(F)(F)F)cc(Br)c2n1 82694044 JJSKIQIJCKDHLA-UHFFFAOYSA-N 294.074 2.574 0 30 CFAC CCCOc1ccc(Br)c(C(=O)O)c1 89065093 QHHJOFXYVCZHCI-UHFFFAOYSA-N 259.099 2.936 0 30 CFAC CC(C)[C@H]1OCCC[C@H]1Nc1nccc(Cl)n1 98209724 PRKFPUCFMGIJMN-MWLCHTKSSA-N 255.749 2.746 0 30 CFAC Brc1ccc2c(c1)NC[C@H]1CCCN21 76694926 BIFDYVJBZHGOEA-SECBINFHSA-N 253.143 2.843 0 30 CFAC Cc1cc(-c2nnnn2-c2cc(Cl)cc(Cl)c2)no1 122739 TWGZSIYMQDUBJP-UHFFFAOYSA-N 296.117 2.933 0 30 CFAC COc1cc2c(cc1Br)[C@@H](N)CCC2 238391091 HBIRFELTSHZNDW-JTQLQIEISA-N 256.143 2.794 0 30 CFAC Cc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1 13469551 WRDTVKMHCFHGEZ-UHFFFAOYSA-N 270.210 2.644 0 30 CFAC C=CC(=O)OCCCCCCOC(=O)CCN(CC)CC 5846630 JRCVXCVXDRUUNK-UHFFFAOYSA-N 299.411 2.551 0 30 CFAC O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccncc1 2265340025 ZYHRNAFWSGXHDQ-WTHWONHRSA-N 256.349 2.780 0 30 CFAC CC(=O)ON=Cc1c(Cl)n(C)c2ccccc12 254502248 ZQECDYUKOOURNB-UHFFFAOYSA-N 250.685 2.729 0 30 CFAC CCOC(=O)c1nc2c(Br)cccn2c1C 96320920 LSXLAAMFCFXBKB-UHFFFAOYSA-N 283.125 2.582 0 30 CFAC COC(OC)c1ccnn1-c1cccc(Cl)c1 72190437 NLRPAAAIJDQIHF-UHFFFAOYSA-N 252.701 2.817 0 30 CFAC Cc1cccc(C(=O)Nc2nc3ccc(C)cc3c(=O)[nH]2)c1 94214 BJYCTZZRZBEXEA-UHFFFAOYSA-N 293.326 2.792 0 30 CFAC COC(=O)c1ccc(Cn2cnc(Cl)c2Cl)o1 90513459 SSRHGDUHYOXBGX-UHFFFAOYSA-N 275.091 2.618 0 30 CFAC CCOC(=O)[C@@H](C=O)c1ccc(Cl)cc1Cl 138708217 IJZKCILNHAJBBL-VIFPVBQESA-N 261.104 2.839 0 30 CFAC COC(=O)CCc1nnc(-c2ccc(Cl)cc2)s1 2511427 UIRQQIHRSPXGMV-UHFFFAOYSA-N 282.752 2.964 0 30 CFAC CCN(CC)CC(=O)Nc1ccc(C(F)(F)F)cc1N 22172564 RQGLEIFYPMSWPW-UHFFFAOYSA-N 289.301 2.568 0 30 CFAC Cc1nnc(Cc2ccc(Br)cc2)o1 40350811 POXQVPBEWMWUDF-UHFFFAOYSA-N 253.099 2.731 0 30 CFAC CCOC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 95830709 OPVBOUWKBVKFDB-UHFFFAOYSA-N 273.336 2.899 0 30 CFAC CC(C)(C)OC(=O)N[C@@H]1CCc2sc(C(=O)O)cc21 2265383683 OYUNJDJDDQHMMD-MRVPVSSYSA-N 283.349 2.958 0 30 CFAC O=c1[nH]c(-c2ccc(Cl)cc2)nn1-c1ccccc1 15443898 WUEMDLVLKWGZBY-UHFFFAOYSA-N 271.707 2.881 0 30 CFAC O=Cc1n[nH]c2cccc(OCc3ccccc3)c12 89195734 CQZAYBCPLBJJRC-UHFFFAOYSA-N 252.273 2.954 0 30 CFAC COC(=O)c1cc2ccc(F)cc2c(Br)n1 309234971 ATBXZYNZKSFUOY-UHFFFAOYSA-N 284.084 2.923 0 30 CFAC Cc1nn(C(C)(C)C)c2nc(Cl)c(C=O)cc12 222721040 ZHXZPJKBIOIDDT-UHFFFAOYSA-N 251.717 2.961 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](C(=O)O)C[C@H]21 96976812 AZBWQTBGEFVQAW-IJLUTSLNSA-N 283.368 2.887 0 30 CFAC COCc1nn(Cc2ccccc2)c(Cl)c1C=O 51699174 PQZBZKLYFMPMPH-UHFFFAOYSA-N 264.712 2.544 0 30 CFAC CCOC(=O)c1c[nH]c(SCc2ccccc2)n1 35606152 VHWPIKOAYDPADA-UHFFFAOYSA-N 262.334 2.879 0 30 CFAC COc1ccc(-c2ccc3n[nH]cc3c2C(=O)O)cc1 607717044 JMWXWCHDQVHYOT-UHFFFAOYSA-N 268.272 2.937 0 30 CFAC CCCCC(=O)Nc1cccc(OC(=O)NC)c1 1756279 JRMUCETZFNOFMW-UHFFFAOYSA-N 250.298 2.534 0 30 CFAC COC[C@H](C)n1c(C(F)(F)F)nc2cc(N)ccc21 52852333 FBNUXQYPAQIIGR-ZETCQYMHSA-N 273.258 2.845 0 30 CFAC COc1ccccc1[C@@H]1CNCCN1C(=O)OC(C)(C)C 95642314 DZDBNSISWAZDJL-ZDUSSCGKSA-N 292.379 2.577 0 30 CFAC CCOC(=O)c1sc(Br)nc1CC 259534992 FPBGCDLKNXSIBS-UHFFFAOYSA-N 264.144 2.645 0 30 CFAC CN(C)C[C@@H]1CCCC[C@]1(O)OCc1ccccc1 33867436 RZQYCLWPTJRMML-HOTGVXAUSA-N 263.381 2.644 0 30 CFAC O[C@@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@H]23 4214631 KOIGYXJOGRVNIS-XZJROXQQSA-N 268.360 2.845 0 30 CFAC in-man CN(C(=O)OC(C)(C)C)[C@H](CN)c1ccccc1 19682601 JSXCPTWNVQDNND-GFCCVEGCSA-N 250.342 2.553 0 30 CFAC CC(C)[C@H](O)C(=O)C[C@@H](C)CCC(=O)c1ccoc1 1557676 HCPDJZNVPUCXHZ-NHYWBVRUSA-N 266.337 2.855 0 30 CFAC endogenous,in-man COc1ccc(OCC(=O)c2ccccc2)c(OC)c1 2265362159 UGXCLJSXSCGXLR-UHFFFAOYSA-N 272.300 2.966 0 30 CFAC O=C(O)c1cc(O)cc(Br)c1Br 575693694 DAAUYQHYGDZXKF-UHFFFAOYSA-N 295.914 2.615 0 30 CFAC CC[C@H]1C(=O)Nc2cnc(Cl)nc2N1C1CCCC1 113702737 LEFGDEBZSGBXBK-JTQLQIEISA-N 280.759 2.610 0 30 CFAC Cc1cc(C)n(-c2ccc(Sc3ccccn3)nn2)n1 91439 DZMZPSYKSBOBEN-UHFFFAOYSA-N 283.360 2.825 0 30 CFAC Nc1nn(-c2ccc(Cl)cc2)nc1C(=O)c1ccccc1 158308 IONGEUSXVXIKAL-UHFFFAOYSA-N 298.733 2.734 0 30 CFAC Cc1ccc2[nH]c(SCCCC(=O)O)nc2c1 8701356 YXWTWBUJHQMSGK-UHFFFAOYSA-N 250.323 2.828 0 30 CFAC C[C@@H]1[C@@H](C(=O)O)[C@@H]1c1cccc(Br)c1 76695748 VFFFMLOGCLWPOH-JMOVZRAMSA-N 255.111 2.883 0 30 CFAC COC(=O)[C@H]1CCc2cc(Br)ccc21 95803914 HPFPEFZNIZENAN-JTQLQIEISA-N 255.111 2.652 0 30 CFAC O[C@@H](CNCc1cc2ccccc2s1)C(F)(F)F 4389264 TXJJQFYTLOSLQA-NSHDSACASA-N 275.295 2.914 0 30 CFAC CSc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 100396279 RNKNPESGUCARBZ-STQMWFEESA-N 273.357 2.864 0 30 CFAC CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)N1N(C)C 77066 YXMRRIWQKDCMKY-FLIBITNWSA-N 295.795 2.719 0 30 CFAC O=C(O)[C@](O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F 43465307 QNEJIPULAWNNJF-MRVPVSSYSA-N 289.036 2.828 0 30 CFAC O=C(O)c1cnc(C(F)(F)C(F)(F)F)nc1C1CC1 8699844 DKBMJRFEEPANGE-UHFFFAOYSA-N 282.168 2.706 0 30 CFAC C[C@H](COc1nsc2ccccc12)CN(C)C 38647012 SHFVVLRIJMFSIG-JTQLQIEISA-N 250.367 2.873 0 30 CFAC O=S(=O)(NCC[C@@H]1CC1(Cl)Cl)c1ccccc1 142241 YFJQTQZPCQKITB-SECBINFHSA-N 294.203 2.549 0 30 CFAC NCc1cc(Br)ccc1OCc1ccccn1 34957935 CMQRUXRPEUMSBX-UHFFFAOYSA-N 293.164 2.882 0 30 CFAC O=C(O)C1(Cc2ccc(Cl)c(Cl)c2)CCNCC1 41464330 XILWMQORBPTXKP-UHFFFAOYSA-N 288.174 2.990 0 30 CFAC O=C(O)c1cc(Br)cc(OC2CC2)c1 95741928 ABQJCEFBGAOWDC-UHFFFAOYSA-N 257.083 2.689 0 30 CFAC CC1(C)Cc2ccccc2[C@@](O)(c2ccccc2)[C@H]1O 32233382 IQMBJCZXIXPNDO-WMZOPIPTSA-N 268.356 2.866 0 30 CFAC C[C@H](NC(=O)OC(C)(C)C)c1cc(N)ccc1F 257944458 LKSWRYYYNFEAJO-QMMMGPOBSA-N 254.305 2.994 0 30 CFAC CCOC(=O)c1csc(COc2ccc(C=O)cc2)n1 378755160 RRXRLZZUOJZNJN-UHFFFAOYSA-N 291.328 2.711 0 30 CFAC CC(C)N[C@H](Oc1csc2ccccc12)[C@@H](C)O 199887420 TZRNEEFZMYUKED-QMTHXVAHSA-N 265.378 2.985 0 30 CFAC CSc1nn(-c2ccccc2)cc1C(=O)N1CCCC1 170679 UOGRVVAQKORSHP-UHFFFAOYSA-N 287.388 2.830 0 30 CFAC CCCC[C@@H](C)OC(=O)C[C@@H](C)NC(=O)C(F)(F)F 32221947 FHDWVJQWYXIEGU-RKDXNWHRSA-N 283.290 2.565 0 30 CFAC Nc1cc(Cl)ccc1NC(=O)c1ccccc1N 68047 RTPJXYZRIGJTHA-UHFFFAOYSA-N 261.712 2.757 0 30 CFAC CCOC(=O)COc1nc(Cl)c(Cl)cc1Cl 135871495 KXAVVWXJUDQGDA-UHFFFAOYSA-N 284.526 2.984 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3c(F)cccc3[C@H](N)[C@@H]2C1 238109965 LFGCUOHXIIZDSF-WDMOLILDSA-N 292.354 2.790 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](C(=O)O)C[C@H]21 380879910 AZBWQTBGEFVQAW-GRYCIOLGSA-N 283.368 2.887 0 30 CFAC O=C(O)Cc1cc(Br)c(Cl)cc1F 218287078 YCNJMFUUPOSKES-UHFFFAOYSA-N 267.481 2.869 0 30 CFAC CN(C)CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 5439169 OFJRGXSWFQMIEU-UHFFFAOYSA-N 285.771 2.602 0 30 CFAC COc1ccc(-n2[nH]c3ccc(Cl)cc3c2=O)cc1 32269871 CWHRJBVAXZCLBX-UHFFFAOYSA-N 274.707 2.981 0 30 CFAC COc1ccc2nc(-c3ccc(N)cn3)sc2c1 117902356 IQJIPTXMYLSVHV-UHFFFAOYSA-N 257.318 2.949 0 30 CFAC COc1ccc(-c2nc(C(F)F)c(C(=O)O)o2)cc1 96300556 UBXWJPTYAHXYIQ-UHFFFAOYSA-N 269.203 2.986 0 30 CFAC Cc1nc(S)nc(O)c1Oc1ccc(F)cc1 13469647 WLZJAUIYVJQNJR-UHFFFAOYSA-N 252.270 2.711 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(F)(F)F)[C@@H]21 306590239 UZKCQCJKIGOIRS-BIIVOSGPSA-N 251.248 2.804 0 30 CFAC Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC[C@H](C)O 38613894 RIUWAQXPPSBCQL-WDEREUQCSA-N 286.755 2.730 0 30 CFAC CC[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 2158447 VANXNIWFYXJLEP-SNVBAGLBSA-N 275.801 2.502 0 30 CFAC COC(OC)c1ccnn1-c1ccccc1Cl 72190436 AETLAELORYRITJ-UHFFFAOYSA-N 252.701 2.817 0 30 CFAC CN1CCC(=O)C[C@H]1c1ccc(Br)cc1 84170638 CTZAEZRDPPESQM-LBPRGKRZSA-N 268.154 2.785 0 30 CFAC Cc1c(CN2CCC[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C 165155 HTCXILRWISWNFQ-CQSZACIVSA-N 299.418 2.716 0 30 CFAC CCOC(=O)c1c(C(F)(F)F)nc2ccc(F)cn12 953019465 PLDCMHGLFBWAFE-UHFFFAOYSA-N 276.189 2.669 0 30 CFAC O=[S@](Cc1ccc2nonc2c1)c1cccs1 8648484 YOIRJTAGGFKEBD-KRWDZBQOSA-N 264.331 2.592 0 30 CFAC CC(C)(C)OC(=O)N1CC(c2ccccc2)=CC1=O 238175859 NLRDTNJYRQXDIB-UHFFFAOYSA-N 259.305 2.847 0 30 CFAC O[C@H](CN1CCSCC1)c1c(F)cccc1Cl 36048326 FAHQOIMZEOTUGC-LLVKDONJSA-N 275.776 2.561 0 30 CFAC O=C1C=C(/C=C/C=C/C=C/c2ccccc2)[C@@H](O)O1 33984975 ASTSPPNXMWCPRE-MXXQTBAPSA-N 254.285 2.614 0 30 CFAC Nc1cnc(-c2cccc(Cl)c2Cl)c(N)n1 35570158 CQGJBSYKOSGFBB-UHFFFAOYSA-N 255.108 2.615 0 30 CFAC O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccccc1 170281 VFZQBZVIVQOFMH-UHFFFAOYSA-N 253.257 2.609 0 30 CFAC COC(=O)c1ccc(Br)c(Br)c1 44200218 PVBRMXRXKPVNRU-UHFFFAOYSA-N 293.942 2.998 0 30 CFAC Cc1cc(C(=O)O)nc(Cl)c1Br 2265381461 HZCGNICRYXOKNX-UHFFFAOYSA-N 250.479 2.504 0 30 CFAC Cc1cccc2c1NC(=O)[C@H](c1ccccc1)C2=O 3944867 ZSQXNQHIHCQHRI-CYBMUJFWSA-N 251.285 2.914 0 30 CFAC CC(C)(C)OC(=O)NCC(C)(C)[C@@H]1CCCCN1 96897450 UOIBALUJTZYPOG-NSHDSACASA-N 256.390 2.679 0 30 CFAC O=C1C=CC(=O)N1Cc1csc2ccc(Cl)cc12 102932 OZTFJMKRKUAAFS-UHFFFAOYSA-N 277.732 2.980 0 30 CFAC O=C(O)[C@H](NC(=S)Nc1ccccc1)c1ccccc1 21304339 JPANLDGEFCBMGK-CYBMUJFWSA-N 286.356 2.799 0 30 CFAC CCOC(=O)CNC(=O)C1(C(C)C)CCCCCC1 38615339 MUAYLFNSIRHNHP-UHFFFAOYSA-N 269.385 2.662 0 30 CFAC CC(C)(C)OC(=O)N(CC(=O)O)c1ccsc1 83263444 MDYGCRKCFJIUMQ-UHFFFAOYSA-N 257.311 2.574 0 30 CFAC C[Si](C)(C)Nc1ncnc2ncn([Si](C)(C)C)c12 195789508 WFUAURRCBBWRBU-UHFFFAOYSA-N 279.496 2.756 0 30 CFAC CC(C)(C)OC(=O)N1CCc2cc(F)c(C(=O)O)cc2C1 675073601 MHIDOXDZMZBHQQ-UHFFFAOYSA-N 295.310 2.817 0 30 CFAC CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1N 5127655 IBEGKWUMGUSHCY-UHFFFAOYSA-N 294.395 2.680 0 30 CFAC Ic1nc(-c2ccccc2)co1 139309350 QMZJDMNRLIZTAI-UHFFFAOYSA-N 271.057 2.946 0 30 CFAC Cc1ccc(C2(C(=O)O)CC2)cc1Br 84595042 OKTGSTQCEKHALZ-UHFFFAOYSA-N 255.111 2.874 0 30 CFAC Nc1ccc(Cl)c(I)c1F 146218441 TTXBYEMPQGHABA-UHFFFAOYSA-N 271.460 2.666 0 30 CFAC COc1ccc(OC)c(CCNC(=O)OC(C)(C)C)c1 264688371 COMRZXRRULFHME-UHFFFAOYSA-N 281.352 2.771 0 30 CFAC Cn1ncc(Br)c1NC(=O)Nc1ccccc1 116441 FPBPFYYIABOJNZ-UHFFFAOYSA-N 295.140 2.827 0 30 CFAC O=C1CSCC(=O)N1c1cc(Cl)cc(Cl)c1 100798 AVNAJRJPTPSPCY-UHFFFAOYSA-N 276.144 2.600 0 30 CFAC CCN(CC)CCCOC(=O)/C=C/c1ccccc1 2037902 CHLMFHKZCVSJIJ-VAWYXSNFSA-N 261.365 2.975 0 30 CFAC COc1cccc(-c2cc3nc4c(c(O)n3n2)CCCC4)c1 100255646 OMCGRYNMROFSQS-UHFFFAOYSA-N 295.342 2.989 0 30 CFAC COc1ccc2c(c1)[C@H](N)CCN2C(=O)OC(C)(C)C 709658449 XCLTUFAGXNEJAX-GFCCVEGCSA-N 278.352 2.840 0 30 CFAC Cc1ccc(OC[C@@H](O)OCCc2ccccc2)cc1 6070950 DHQFANPUVQZDMT-KRWDZBQOSA-N 272.344 2.952 0 30 CFAC Cc1cnc([C@H](O)C(F)(F)F)cc1Br 205387694 VXBVBIPROLZSHF-ZETCQYMHSA-N 270.048 2.748 0 30 CFAC CNc1ccc(Cl)cc1C(=O)Nc1nnc(C)s1 144901 HJCAAIMMECXBQR-UHFFFAOYSA-N 282.756 2.794 0 30 CFAC COc1cc(C=O)c(C(F)(F)F)cc1C1OCCO1 2048485853 AVHZULRZUPDXSF-UHFFFAOYSA-N 276.210 2.572 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H]2c3cc(F)ccc3[C@@H](N)[C@H]2C1 687765507 XVLIDPNJKGWTNC-MELADBBJSA-N 292.354 2.790 0 30 CFAC COCCN[C@H]1CCCN(Cc2ccc(Cl)cc2)CC1 66347666 OIYBUPBURPHKFF-INIZCTEOSA-N 296.842 2.931 0 30 CFAC Cc1ccc(C(=O)c2cccc(/C=C/C(=O)O)n2)cc1 38647185 USGBEAJEZNVPAG-MDZDMXLPSA-N 267.284 2.719 0 30 CFAC in-vitro Cc1cccc(S(=O)(=O)c2ccc(F)cc2)c1 33609599 OTJNJSHIASASQC-UHFFFAOYSA-N 250.294 2.967 0 30 CFAC O=C(c1cccc2nsnc12)N1CCc2ccccc2C1 12366645 QSEYKZGHTVLYTK-UHFFFAOYSA-N 295.367 2.890 0 30 CFAC CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)CC2CCC1CC2 725244835 MZQPPDIATYQATE-NWHVRFAMSA-N 283.368 2.792 0 30 CFAC Clc1ccc(NN=C2C=NN=C2c2ccncc2)cc1 254488956 STLAFMOCJVIZSN-UHFFFAOYSA-N 283.722 2.992 0 30 CFAC O=c1cc(-c2ccc(O)c(F)c2)oc2ncccc12 44138261 GRZRBMWDXZEEMX-UHFFFAOYSA-N 257.220 2.700 0 30 CFAC CCCCC[C@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2040295 OYASNZKXMOQVFP-LBPRGKRZSA-N 280.368 2.594 0 30 CFAC COC(=O)C1=C(Nc2ccc(F)cc2F)CSC1 96169 OKVQUBVNRYBWPR-UHFFFAOYSA-N 271.288 2.551 0 30 CFAC CN(C1CCCCC1)S(=O)(=O)c1cccs1 154846 UGDCTQYFFRJVPW-UHFFFAOYSA-N 259.396 2.701 0 30 CFAC CC1(C)S[C@@H](c2ccc(Cl)cc2)N[C@H]1C(=O)O 4370173 OPPTYCHIMHGTEV-UWVGGRQHSA-N 271.769 2.907 0 30 CFAC Clc1ccnc(OC2CN(Cc3ccccc3)C2)c1 91361989 LGMPVABNIWTERV-UHFFFAOYSA-N 274.751 2.998 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](O)C[C@@H]21 257350966 BHPIMWJWLCOSOL-WOPDTQHZSA-N 255.358 2.547 0 30 CFAC COc1ccc(C(=O)NC2Cc3ccccc3C2)cc1OC 171420 KOJXGTJUKFTETG-UHFFFAOYSA-N 297.354 2.601 0 30 CFAC O=C(O)c1ccc(-c2nc(CC(F)(F)F)no2)cc1 61811214 NQUPJTWPUZCXER-UHFFFAOYSA-N 272.182 2.540 0 30 CFAC Fc1ccc2c(I)c[nH]c2c1 89064977 DIEDUUPWOPUBLJ-UHFFFAOYSA-N 261.037 2.912 0 30 CFAC COc1ccc([C@H](C)C(=O)O)cc1Br 36173053 XHLLCEDTOQFCFS-LURJTMIESA-N 259.099 2.646 0 30 CFAC Cc1cc(Br)c(=O)n(Cc2ccccc2)c1 71517580 MFIKGUQEHZMYSJ-UHFFFAOYSA-N 278.149 2.968 0 30 CFAC COc1ccccc1C(=O)C[C@H]1CCC[C@@H]1C(=O)O 83319295 HKSRAJZPMPZATD-MNOVXSKESA-N 262.305 2.769 0 30 CFAC CC(C)(C)c1ccc(C(=O)N2CCOCC2)s1 112024 VZVFUTIJZRUHTJ-UHFFFAOYSA-N 253.367 2.518 0 30 CFAC C[S@](=NS(=O)(=O)c1ccccc1)c1ccccc1 136338 NCUCOMHROSPEOU-QGZVFWFLSA-N 279.386 2.866 0 30 CFAC Cc1cc(-c2cccc(Br)c2)nc(N)n1 52837936 CEAPNKQDFOFIPD-UHFFFAOYSA-N 264.126 2.797 0 30 CFAC CCCCCSc1nc2cnc(N)nc2s1 32222603 BLPWPXMWKUQUFO-UHFFFAOYSA-N 254.384 2.951 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C(=O)C(C)(C)[C@H]21 521399071 XWSDAVMHFAVCMI-UWVGGRQHSA-N 253.342 2.611 0 30 CFAC B[PH]1(c2ccccc2)O[C@H](c2ccccc2)[C@@H](C)N1C 299803395 NXANJNCNWVXITI-CJNGLKHVSA-N 285.136 2.532 0 30 CFAC Cc1ccc(/C=C/c2onc3c(=O)[nH]nc(C)c23)cc1 132214 DLMNZPGISMBBTH-BQYQJAHWSA-N 267.288 2.698 0 30 CFAC CON=CC(C=NOC)=C(O)c1ccc(Cl)cc1 254596424 VZBMXTUMWIAHSP-UHFFFAOYSA-N 268.700 2.874 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)CC12CCC2 725350451 WXLJOBDBLUZYQX-JTQLQIEISA-N 269.341 2.641 0 30 CFAC CN(C)C(=O)CCNc1ccnc2cc(Cl)ccc12 33877320 DTWBXSUTUZXLEE-UHFFFAOYSA-N 277.755 2.778 0 30 CFAC CCCCCCN1C(=O)N[C@H](c2ccccc2)C1=O 3046212 SHDZFPAJJUXYKJ-CYBMUJFWSA-N 260.337 2.860 0 30 CFAC CC(=O)c1cc(Br)cc(Br)n1 95642417 ZMTPLSHWCQDKOX-UHFFFAOYSA-N 278.931 2.809 0 30 CFAC CC(C)(C)OC(=O)N1CC2(CCN)CCC1CC2 2265384531 PWXFLRYYQUDXFM-UHFFFAOYSA-N 254.374 2.515 0 30 CFAC CC(C)(C)OC(=O)N1CCCc2c(CN)cccc21 238856903 XPXGJIXSLLQRJQ-UHFFFAOYSA-N 262.353 2.833 0 30 CFAC COc1ccc([S@](=O)c2ccccc2C(=O)O)cc1 12367582 JUPRMFFMLYDHOW-LJQANCHMSA-N 276.313 2.560 0 30 CFAC COc1ccc(Cl)cc1N1C(=O)c2ccncc2C1=O 102358 XIUFOBWTSAZXLO-UHFFFAOYSA-N 288.690 2.544 0 30 CFAC Clc1cc(Br)ncc1C1OCCO1 238569073 STLWYJMTRZGDCP-UHFFFAOYSA-N 264.506 2.543 0 30 CFAC COc1cc(NC(C)=O)c(C)cc1Br 96035813 IFEYCXFJRLYXIG-UHFFFAOYSA-N 258.115 2.725 0 30 CFAC CCOC(=O)c1c[nH]n(-c2ccc3ccccc3c2)c1=N 725325393 DLXHLSJPAQJVKJ-UHFFFAOYSA-N 281.315 2.615 0 30 CFAC CC(=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 1385607 ILAOUOUXCAJISP-MLGOLLRUSA-N 269.300 2.683 0 30 CFAC CCOC(=O)CCC12CC(I)(C1)C2 2265385210 QIEGPYXMPBZGNE-UHFFFAOYSA-N 294.132 2.687 0 30 CFAC C[C@@](O)(c1cccc(Br)c1)C(F)F 87686774 CNHVVBWNGRIVQA-SECBINFHSA-N 251.070 2.922 0 30 CFAC CC1(C)CN[C@@H]1C1CCN(Cc2ccccc2)CC1 238854028 MDWGXNBHOPYZDH-MRXNPFEDSA-N 258.409 2.897 0 30 CFAC Cc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1 5730468 FGKLGIBLQDGKFA-RVDMUPIBSA-N 262.312 2.913 0 30 CFAC CC[C@@H](NC(C)C)C(=O)c1ccc(OC)c(OC)c1 33607764 GFERGFJYQBZYHH-GFCCVEGCSA-N 265.353 2.663 0 30 CFAC COc1ccccc1-c1cn2c(C(=O)O)csc2n1 40440931 BCEVMOOWFWJFBG-UHFFFAOYSA-N 274.301 2.770 0 30 CFAC CC(C)(C)OC(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3 69550020 IOLMNXQFNQSBCA-UHFFFAOYSA-N 295.379 2.791 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](O)CC[C@@H]21 76695944 ZHKMOSFUKMJOEU-WOPDTQHZSA-N 255.358 2.547 0 30 CFAC CC(C)c1cccc(C(C)C)c1OS(N)(=O)=O 2572647 ADHXMRRHLUTERX-UHFFFAOYSA-N 257.355 2.516 0 30 CFAC O=C(O)c1cc2cncc(Br)c2s1 616571225 PVJGXTCARMUJEF-UHFFFAOYSA-N 258.096 2.757 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](N)C12CCCCC2 306606563 RSYWVNAMTWCAAZ-NSHDSACASA-N 254.374 2.657 0 30 CFAC Cc1ccc(S(=O)(=O)n2ccc3cc(F)cnc32)cc1 79034041 PCGDTHBAHOVVRW-UHFFFAOYSA-N 290.319 2.721 0 30 CFAC Brc1ccc(N[C@@H]2CCCCO2)nc1 34547275 VQGYOULNRBTPKB-JTQLQIEISA-N 257.131 2.783 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1C1(C(=O)O)CC1 214741954 JVTZDHMQPMJADV-SNVBAGLBSA-N 269.341 2.641 0 30 CFAC CCOC(=O)c1ncc(NC(=O)OC(C)(C)C)s1 66347745 ADGORCZRAITKCG-UHFFFAOYSA-N 272.326 2.667 0 30 CFAC in-vitro C[S@@](=O)(=NC(=O)c1ccccc1)c1ccccc1 136784504 LMHOZLUJYGKCSM-SFHVURJKSA-N 259.330 2.984 0 30 CFAC O=C(/C=C/c1ccco1)Oc1ccc([N+](=O)[O-])cc1 2169447 CXGBYYINAFCQKX-BQYQJAHWSA-N 259.217 2.807 0 30 CFAC CC[C@@H](O)CNC(=O)C(c1ccccc1)c1ccccc1 5925689 KRWSLCYLYQEVCL-MRXNPFEDSA-N 283.371 2.706 0 30 CFAC CCCN(Cc1ccccc1)[C@H](CN)C(F)(F)F 37169687 ZYLHVDLMXXBRHF-GFCCVEGCSA-N 260.303 2.788 0 30 CFAC in-vitro CCOC(=O)C1=CNc2c(C)cccc2N1Cl 98087667 WISNZVXJWZSRIQ-UHFFFAOYSA-N 252.701 2.785 0 30 CFAC CCn1c(O)nc2ccccc2c1=NC(=O)c1ccccc1 253621348 UDBWETADMOKGBJ-UHFFFAOYSA-N 293.326 2.503 0 30 CFAC COc1ccc2c(c1)[C@@]13CCC=C[C@H]1[C@@H](C2)NCC3 36386734 DWRVBCKRIUCOGW-USXIJHARSA-N 255.361 2.817 0 30 CFAC CC(C)(C)OC(=O)NCC1(C(=O)O)CC2(CCC2)C1 409427099 UMOVSENRSQQIBG-UHFFFAOYSA-N 269.341 2.546 0 30 CFAC CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 819923757 CPBQOKLZVZLYQI-SNVBAGLBSA-N 297.786 2.688 0 30 CFAC CC(=O)O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1)N2C 85849345 OGPKDZFHCUWZQQ-LTIDMASMSA-N 273.376 2.644 0 30 CFAC C[C@H](NC(=O)NCc1ccc(C(=O)O)o1)c1cccs1 94555779 YFSMQBUTIJVPSM-QMMMGPOBSA-N 294.332 2.600 0 30 CFAC O[C@@H]1CCCC[C@@H]1N1CC[C@@H](OCc2ccccc2)C1 146073576 KOZXDMVFYPKCCY-IXDOHACOSA-N 275.392 2.581 0 30 CFAC COC(=O)c1c(C)sc2c(C(F)(F)F)cc(=O)[nH]c12 82706 HCEDEJWMUMYNEF-UHFFFAOYSA-N 291.250 2.703 0 30 CFAC C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1C[C@@H](O)C2=O 6067982 LQWLXDFIJGWIMM-JZXOWHBKSA-N 282.339 2.915 0 30 CFAC NC(=S)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 13675236 MAMDYOIVAVDENG-GFCCVEGCSA-N 289.335 2.813 0 30 CFAC c1ccc(CCc2ccccc2-c2nnn[nH]2)cc1 34419528 JYHUUGDTZIEUOP-UHFFFAOYSA-N 250.305 2.652 0 30 CFAC CCOC(=O)c1ccc(Nc2ccncc2N)cc1 71873538 JTLUIGUUPQCZOS-UHFFFAOYSA-N 257.293 2.584 0 30 CFAC COc1ccc(C=Cc2ccnc3c(C#N)cnn23)cc1 4089899 UREZKDMCGZKCHE-UHFFFAOYSA-N 276.299 2.780 0 30 CFAC CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c(F)c1 75926055 UTVJFITUVRCJJA-UHFFFAOYSA-N 255.245 2.871 0 30 CFAC O=C(Nc1ccc(F)cc1F)c1ccc2nonc2c1 170993 IENRVAHPBRIXQI-UHFFFAOYSA-N 275.214 2.753 0 30 CFAC CC1=CC[C@@H]2C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]2C1 69643 OVROUVHCPILLMJ-QWRGUYRKSA-N 277.270 2.811 0 30 CFAC O=[S@@](Cc1ccc2nonc2c1)c1cccs1 168944 YOIRJTAGGFKEBD-QGZVFWFLSA-N 264.331 2.592 0 30 CFAC CC(C)(C)[C@H](O)[C@H](CCOc1ccccc1)n1cncn1 5354077 KECDDIBOVKGAEU-LSDHHAIUSA-N 289.379 2.695 0 30 CFAC N#[N+]c1cc(Cl)c(S(=O)(=O)O)cc1Cl 6091084 NHUITRBCJABNMZ-UHFFFAOYSA-O 254.074 2.725 0 30 CFAC CCOC(=O)c1ccc2ccc(Br)cn12 238265508 XPLJTTJVAYSDMR-UHFFFAOYSA-N 268.110 2.879 0 30 CFAC O=C(O)C[C@H](NC(=O)OCc1ccccc1)C1CCCC1 38580578 FMIKMSRUBZWIBB-AWEZNQCLSA-N 291.347 2.946 0 30 CFAC CC(C)(C)OC(=O)Nc1cccc(NC2COC2)c1 227588491 PCMNFEDHZXXBCC-UHFFFAOYSA-N 264.325 2.844 0 30 CFAC CC(C)(CC(=O)O)CC(=O)Nc1ccc(CC#N)cc1 148559 KDCZSAWSFXFFIG-UHFFFAOYSA-N 274.320 2.582 0 30 CFAC Nc1ccncc1-c1ccc(C(=O)N2CCCCC2)cc1 32577628 LQISNCOSPCMYLK-UHFFFAOYSA-N 281.359 2.957 0 30 CFAC Cc1nc2ncnn2c(C)c1CC=Cc1ccccc1 2265279003 SMQAXVDKFRPEMS-UHFFFAOYSA-N 264.332 2.997 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1Cc1ccccc1 207545556 IIMHGRMKNJCCNO-UONOGXRCSA-N 276.380 2.566 0 30 CFAC OCCNCCCc1ccc(COc2ccccc2)cc1 138349359 LUCCCNUJQYROGN-UHFFFAOYSA-N 285.387 2.780 0 30 CFAC O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1cccnc1 147768 WHMUXCRMSOEGKW-UHFFFAOYSA-N 281.290 2.562 0 30 CFAC COc1cc(CCN)cc(OC)c1OC1CCCC1 37721980 PIKKKIOLGUYFGL-UHFFFAOYSA-N 265.353 2.526 0 30 CFAC Cc1cc(NC(=O)NC(=O)c2c(F)cccc2Cl)no1 91130 UBBFJAIMCHJOIA-UHFFFAOYSA-N 297.673 2.737 0 30 CFAC Cc1ccsc1CNC(=O)CC(C)(C)CC(=O)O 4324930 QIRXFFVVKVIBDK-UHFFFAOYSA-N 269.366 2.564 0 30 CFAC O=C(NCc1ccsc1)c1ccc2c(c1)OCCCO2 4334641 UKZRBBNAOYPVNU-UHFFFAOYSA-N 289.356 2.839 0 30 CFAC N[C@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21 536558919 LWADQGRFZHMINN-CYBMUJFWSA-N 258.708 2.959 0 30 CFAC O=C(NCCc1cccs1)c1cccc2nsnc12 12366637 HKOFPWRRYQUGCK-UHFFFAOYSA-N 289.385 2.725 0 30 CFAC COCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)n1 18204048 AWCCTJKDYNANCQ-UHFFFAOYSA-N 284.237 2.602 0 30 CFAC O=C(O)c1cnn(-c2cccc3ncccc23)c1C1CC1 34457202 WSLKLYKPUZWAQW-UHFFFAOYSA-N 279.299 2.996 0 30 CFAC CC1=C(C)C[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2C1 100207289 GUENEOZTYZJOSH-CHWSQXEVSA-N 299.326 2.651 0 30 CFAC CS[C@@H]1Cc2cc(Br)ccc2C1=O 2265381455 FAQULMVISCHHOD-SECBINFHSA-N 257.152 2.920 0 30 CFAC CC(C)(C)NC(=O)NC[C@@H](c1ccc[nH]1)C(F)(F)F 3137749 DWQZBTFIYLYKBW-QMMMGPOBSA-N 277.290 2.758 0 30 CFAC CC(C)N(C(=O)NC(=O)c1ccc(F)cc1F)C(C)C 171836 OKMNBDUKKHJURV-UHFFFAOYSA-N 284.306 2.933 0 30 CFAC CCOC(=O)c1cc(COc2ccccc2F)no1 95930026 SHUFTYLYEKTKAI-UHFFFAOYSA-N 265.240 2.569 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@H](N)[C@@H]2C1 238110034 BSSUBMYYRYHUSD-MCIONIFRSA-N 274.364 2.651 0 30 CFAC CC(C)(C)[C@@H](O)[C@H](CCOc1ccccc1)n1cncn1 5354618 KECDDIBOVKGAEU-GJZGRUSLSA-N 289.379 2.695 0 30 CFAC CCO/C(C)=C/c1sc2ccccc2[n+]1CCO 320213 YJHYVUKYMFJJJB-ZHACJKMWSA-N 264.370 2.578 0 30 CFAC CC(C)(C)OC(=O)Cc1cccc(Br)n1 95830173 QTBDTZFTCNZTIS-UHFFFAOYSA-N 272.142 2.728 0 30 CFAC O=C(O)c1[nH]c2ccc(Br)cc2c1F 107256891 JLSYHUVDDWAACM-UHFFFAOYSA-N 258.046 2.768 0 30 CFAC COC(=O)c1cc2ccccc2n1CC(F)(F)F 489949934 FBMBGIGLUWXTAP-UHFFFAOYSA-N 257.211 2.990 0 30 CFAC Clc1cccc(Cl)c1Cn1nnc(N2CCCC2)n1 88948 HQKPMASUDYEZSX-UHFFFAOYSA-N 298.177 2.628 0 30 CFAC CCN(CC)CCOC1(c2ccccc2)CCNCC1 5847820 AJWDNBGJSDKTMC-UHFFFAOYSA-N 276.424 2.624 0 30 CFAC Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc(C)c1O 69550100 JBAYPKXRANKQHZ-NSHDSACASA-N 295.335 2.659 0 30 CFAC Cc1cc(O)c(C=NNc2cccc(Cl)c2)c(=O)o1 13123009 HQNCBAFTTWGXIT-UHFFFAOYSA-N 278.695 2.753 0 30 CFAC COc1ccc(C=Cc2nnc(O)o2)c(Cl)c1OC 2265279851 SWTRYUZXMWVSSM-UHFFFAOYSA-N 282.683 2.616 0 30 CFAC CC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 75367 NKVPIHZBLBPAIN-UHFFFAOYSA-N 267.741 2.806 0 30 CFAC COC(=O)[C@@H](C)SCC(=O)Nc1c(C)cccc1C 3046300 WKNQRAJHOOVTFP-LLVKDONJSA-N 281.377 2.537 0 30 CFAC CC(=O)OC(=CC(=O)c1ccccc1)C(F)(F)F 5160990 UWQNJJGNFAFFGH-UHFFFAOYSA-N 258.195 2.879 0 30 CFAC CC(C)CN(C(=O)OC(C)(C)C)C1CCNCC1 58040505 YEOZVJZQGRKNKE-UHFFFAOYSA-N 256.390 2.632 0 30 CFAC CC(C)(C)C(=O)Nc1cnccc1C(=O)C(F)(F)F 238856000 UMXFGXTWUSEXFT-UHFFFAOYSA-N 274.242 2.811 0 30 CFAC NC(=O)OCC(Cl)(Cl)[C@H](O)c1ccc(Cl)cc1 2039536 RENLSHPSGMACFW-MRVPVSSYSA-N 298.553 2.643 0 30 CFAC N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1ncn[nH]1 200972074 OQDYMMGSRXJHSX-INIZCTEOSA-N 294.358 2.626 0 30 CFAC O=C(Cn1c(=O)oc2cccnc21)c1ccc(Cl)cc1 127110 YZLPDXKFUQEMIH-UHFFFAOYSA-N 288.690 2.526 0 30 CFAC Clc1ccc(-c2cn(C3CCNCC3)nn2)cc1 1254079081 CCZHBHUYPYDYJC-UHFFFAOYSA-N 262.744 2.523 0 30 CFAC Cc1ccc(F)cc1NCN1C(=O)c2ccccc2C1=O 102610 KHTCAUZTKGXVGA-UHFFFAOYSA-N 284.290 2.800 0 30 CFAC CCc1ccnc(NS(=O)(=O)c2ccc(C)cc2)c1 151877 MJZBFICYCXKREL-UHFFFAOYSA-N 276.361 2.753 0 30 CFAC C[C@H]1CCCC[C@@H]1C(=O)CNC(=O)OC(C)(C)C 685959533 ZJWDNFVGTBOUOW-QWRGUYRKSA-N 255.358 2.907 0 30 CFAC CCOC(=O)Nc1ccc2c(S(=O)(=O)O)cccc2c1 207489300 DQCIQCIAYNZXHZ-UHFFFAOYSA-N 295.316 2.655 0 30 CFAC COc1cc2c(cc1OC)C(c1ccccc1N)=NCC2 164865 ITIDQYYXNGYNAM-UHFFFAOYSA-N 282.343 2.680 0 30 CFAC CCCCCNS(=O)(=O)c1cccc2c(N)cccc12 2144238 IRAZXJOYAGVDND-UHFFFAOYSA-N 292.404 2.891 0 30 CFAC Brc1cccc2[nH]c3c(c12)CCNC3 13587965 AOMJWOGZKNQVBI-UHFFFAOYSA-N 251.127 2.576 0 30 CFAC in-vivo Cn1nc(-c2ccc3ccccc3c2)c(=O)n(C)c1=S 12370051 FUYGHRRFTDVRCF-UHFFFAOYSA-N 283.356 2.668 0 30 CFAC COc1ccc2c([N+](=O)[O-])c(OC)ccc2c1[N+](=O)[O-] 32270396 LSLJVQRPKOCISK-UHFFFAOYSA-N 278.220 2.673 0 30 CFAC CC(C)(C)OC(=O)Nc1ccc(CC(=O)O)c(F)c1 536958521 GPSOPRXPNOLJRN-UHFFFAOYSA-N 269.272 2.800 0 30 CFAC OC[C@@H]1Cc2ccccc2[C@@H]1NCc1ccccc1 32099002 HCVGWUBTJZNXET-DOTOQJQBSA-N 253.345 2.682 0 30 CFAC CCCCc1cc(S(=O)(=O)O)c2ncccc2c1 39140499 RGOURDNYXYEDFB-UHFFFAOYSA-N 265.334 2.824 0 30 CFAC O=C(O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O 15410 QCYPQYOTSRVMBR-UHFFFAOYSA-N 265.268 2.893 0 30 CFAC CCCCCCOC[C@@H](O)COc1ccccc1C(=O)O 2026581 YTPJKQPMTSNTGI-CYBMUJFWSA-N 296.363 2.721 0 30 CFAC in-man Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc(C)c1O 69550102 JBAYPKXRANKQHZ-LLVKDONJSA-N 295.335 2.659 0 30 CFAC O=Cc1cnc(Br)cc1C(F)(F)F 95642397 HLHLTZUXCXZHEK-UHFFFAOYSA-N 254.005 2.675 0 30 CFAC CN(C)CCN(Cc1ccc(F)cc1)c1ccccn1 2040684 VKMKSMCOLOJDJQ-UHFFFAOYSA-N 273.355 2.789 0 30 CFAC COc1cc2c(Br)cnnc2cc1F 103303291 ATZAVULVPOCYJQ-UHFFFAOYSA-N 257.062 2.540 0 30 CFAC COc1cc(C2CCC2)c2c(=O)nc(Cl)[nH]c2c1 142741990 POGHBCYTSQVBQE-UHFFFAOYSA-N 264.712 2.853 0 30 CFAC O=Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1F 14628798 ZSEHKDSVKREJLK-UHFFFAOYSA-N 298.361 2.960 0 30 CFAC COc1ccc(CN2C3C[C@@H]4C[C@H](C3)CC2(O)C4)cc1 72106247 BHABHLSQJMRXJM-KWOWKCNFSA-N 273.376 2.778 0 30 CFAC CC(=O)OC[C@@H](CC=C(C)C)[C@@H](C)COC(C)=O 238790690 RTKRUXKAHYHHID-SMDDNHRTSA-N 256.342 2.721 0 30 CFAC CC[C@H](C(=O)N[C@@H](CCSC)C(=O)O)c1ccccc1 19278363 PPPZIKYQTYHWJF-STQMWFEESA-N 295.404 2.503 0 30 CFAC NC(=S)Nc1ccc(Br)c(Cl)c1 97690 ABPQUBPKOHZWCU-UHFFFAOYSA-N 265.563 2.758 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(F)c2F)C1 95642320 KZPOSZVSBXRQDP-GFCCVEGCSA-N 298.333 2.846 0 30 CFAC CON=Cc1cc(Br)cc(F)c1F 388209169 MNWWSXUNSCUBHU-UHFFFAOYSA-N 250.042 2.708 0 30 CFAC COc1cc(O)c(C(C)=O)c2c1CCC(C)(C)O2 32233446 AHAKTWDQKQCQBM-UHFFFAOYSA-N 250.294 2.707 0 30 CFAC CC(=O)O[C@@H]1CC[C@H](C(C)(C)C)C[C@H]1OC(C)=O 256166832 CYCAUWWXYWATRT-YNEHKIRRSA-N 256.342 2.696 0 30 CFAC CC(C)(C)OC(=O)N[C@H](CCCC(F)(F)F)C(=O)O 44296623 IUCAIZFOVHKRTO-SSDOTTSWSA-N 285.262 2.697 0 30 CFAC CCOC(=O)c1cnc([C@@H](C)C(=O)OC(C)(C)C)s1 71613110 JMLHFGIOJGQZHF-MRVPVSSYSA-N 285.365 2.765 0 30 CFAC CC(=NOC(=O)c1ccc(Cl)cc1)c1cnccn1 254572698 LPIBRBZTNLJTHL-UHFFFAOYSA-N 275.695 2.711 0 30 CFAC CC(C)(O)C(C)(C)OB(O)/C=C/c1ccc(Cl)cc1 504225100 KGBBOORUNVAFJP-MDZDMXLPSA-N 282.576 2.939 0 30 CFAC CC1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 102195183 WNRLLIPYOXVGNC-AVGNSLFASA-N 252.427 2.781 0 30 CFAC COC(=O)[C@]1(c2ccccc2)CCCN(C)[C@H](C)C1 4626660 RAAFYFKWMRWOIT-CZUORRHYSA-N 261.365 2.602 0 30 CFAC in-man CC(C)[C@@H]1OCCC[C@H]1Nc1nccc(Cl)n1 98209725 PRKFPUCFMGIJMN-KOLCDFICSA-N 255.749 2.746 0 30 CFAC Nc1c(-c2ccccn2)nc2ccc(Br)cn12 36222257 RVKLEGRYEOIFJO-UHFFFAOYSA-N 289.136 2.741 0 30 CFAC O=C(O)C1(c2cc(F)ccc2Br)CC1 84610707 VNGYBOIHEQCFBI-UHFFFAOYSA-N 259.074 2.704 0 30 CFAC NNc1cc(Br)cc(C(F)(F)F)c1 83851945 DCCPJARUTOSZDH-UHFFFAOYSA-N 255.037 2.754 0 30 CFAC COC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 174925931 GBWKAWQBCUMBKJ-YOGCLGLASA-N 283.368 2.728 0 30 CFAC Cc1cccc(NC(=O)c2ccccc2)c1C(=O)O 12340502 MUNHBWHENXJGEB-UHFFFAOYSA-N 255.273 2.946 0 30 CFAC COC(=O)CC(=O)c1cc(F)c(Cl)cc1Cl 84193846 KFCKLKBPBMFRCU-UHFFFAOYSA-N 265.067 2.878 0 30 CFAC CN(C(=O)C1CC1)c1ccc(Br)cc1 723885348 AHKNOTPDXDAPPF-UHFFFAOYSA-N 254.127 2.822 0 30 CFAC CC(C)(C)c1ccc(C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 151291 POKLEDFXLMGJLS-LLVKDONJSA-N 291.372 2.847 0 30 CFAC CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 819923755 CPBQOKLZVZLYQI-JTQLQIEISA-N 297.786 2.688 0 30 CFAC Cc1csc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc12 82150 XYDHJGLXPQODOH-UWVGGRQHSA-N 263.366 2.613 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C2(CCCCC2)C1 328579633 SRGGDRNFTIRXQP-LLVKDONJSA-N 283.368 2.888 0 30 CFAC Cc1cccc(C)c1NC(=O)CCN1C[C@H](C)O[C@H](C)C1 20458506 QMSHNUMEWJZVDT-GASCZTMLSA-N 290.407 2.741 0 30 CFAC Nc1ccccc1-c1nc2cc(C(=O)O)ccc2[nH]1 75872898 JEDNOKJFWGSTME-UHFFFAOYSA-N 253.261 2.510 0 30 CFAC COc1ccc(C(=O)c2cc3c(cc2C)OCO3)cc1 32267480 JYGNNBLJXBMUTO-UHFFFAOYSA-N 270.284 2.963 0 30 CFAC C[C@H](NC(=O)OCCN1CCCC1)c1ccccc1 5735468 GYMUBLZUHKTEIC-ZDUSSCGKSA-N 262.353 2.570 0 30 CFAC FC(F)(F)COc1nc(Br)cs1 86278135 IVZARVONFQIONR-UHFFFAOYSA-N 262.050 2.847 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2)C1 83552577 HIAKVIUSRINAKN-AWEZNQCLSA-N 276.380 2.786 0 30 CFAC COC(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 2019451 DOFXTEXQUDDDRF-UHFFFAOYSA-N 266.297 2.752 0 30 CFAC O=C(OC[C@@H]1CC(c2ccccc2)=NO1)c1ccco1 158581 CHQQIBRJBWRXOL-LBPRGKRZSA-N 271.272 2.630 0 30 CFAC Cc1nn(-c2ccccc2)nc1CNC(=O)c1cccs1 1034888 AARFUZHVDKFORN-UHFFFAOYSA-N 298.371 2.567 0 30 CFAC O=C(O)c1cc2c(F)c(Br)ccc2[nH]1 214600401 HGVPFLPUPKGLNK-UHFFFAOYSA-N 258.046 2.768 0 30 CFAC CC(C)Oc1cccc([C@]2(O)CCN(C)C[C@@H]2C)c1 82008851 DFKRLCHQGGQAOS-BBRMVZONSA-N 263.381 2.633 0 30 CFAC NC[C@@H]1c2ccccc2CCN1Cc1ccccc1 19929505 RZFAFCKRZOXRGI-QGZVFWFLSA-N 252.361 2.745 0 30 CFAC Cc1ccc([S@](C)(=O)=NC(=O)c2cc(C)on2)cc1 100215004 ADRCMNZHVNNJMI-IBGZPJMESA-N 278.333 2.589 0 30 CFAC CO[C@H](CCC[C@@H](C)CO)C(C)(C)Br 6036394 DOOYDTPWMJXOPI-NXEZZACHSA-N 267.207 2.974 0 30 CFAC Cc1ccc(S(=O)(=O)/N=[S@]2/CCCSC2)cc1 4349270 DEVAVHKXBGYRLV-MRXNPFEDSA-N 289.447 2.580 0 30 CFAC O=c1n(Cc2ccccc2)nc2n1-c1ccccc1SC2 160596 NHJHIKZMTZVKNM-UHFFFAOYSA-N 295.367 2.688 0 30 CFAC Cc1ccc2oc(=O)n(CC(=O)c3ccc(F)cc3)c2c1 147962 KWCIBJXQBBBZES-UHFFFAOYSA-N 285.274 2.925 0 30 CFAC COc1c(CC=C(C)C)c(=O)n(C)c2c(O)cccc12 5158927 KBMGLVFFJUCSBR-UHFFFAOYSA-N 273.332 2.761 0 30 CFAC biogenic Nc1c(Br)cnc2c(F)ccc(F)c12 41702343 UIFLUVIZQZHXEF-UHFFFAOYSA-N 259.053 2.858 0 30 CFAC COC(=O)c1ccccc1/C=C/I 34619567 ULYJNULQEHZCSS-VOTSOKGWSA-N 288.084 2.879 0 30 CFAC COc1c(CC(=O)O)cccc1C(=O)c1ccccc1 5732312 OTSCNWKNPQLUII-UHFFFAOYSA-N 270.284 2.553 0 30 CFAC CC(=O)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 117956388 KZKYSBGFAXFTBU-NSHDSACASA-N 287.356 2.504 0 30 CFAC CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@H](c2ccccc2)C1 108178516 WGHBYQBNWQRUQU-GJZGRUSLSA-N 290.407 2.999 0 30 CFAC CC(=O)N[C@@]1(c2ccccc2Cl)CCCCC1=O 231394186 RRTNLABORIXPCK-CQSZACIVSA-N 265.740 2.815 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCCNC1 685945627 RMKRHIQQCLWWJL-WOSRLPQWSA-N 280.412 2.776 0 30 CFAC CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC2)CC1 695937855 YUVWKZUUAXVKRY-UHFFFAOYSA-N 269.341 2.689 0 30 CFAC C[C@H]1CC(Oc2ccc(S(N)(=O)=O)cc2)C[C@H](C)C1 84950513 MYDZRBJNCOKOEZ-GHMZBOCLSA-N 283.393 2.538 0 30 CFAC CC(C)CCNCC(C)(C)OC(=O)c1ccc(N)cc1 1709765 FJZZLRBMTOANGB-UHFFFAOYSA-N 278.396 2.840 0 30 CFAC O=C(CSCCOc1ccccc1)NCc1ccco1 2158234 NTCHQYIRFIIWKZ-UHFFFAOYSA-N 291.372 2.708 0 30 CFAC Cc1csc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc12 82148 XYDHJGLXPQODOH-NXEZZACHSA-N 263.366 2.613 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H](CCN)c2ccccc21 380882165 GVZGXAMWDFMOAO-NSHDSACASA-N 262.353 2.874 0 30 CFAC O=C(c1cn[nH]c1)c1cc(Cl)c(Cl)cc1O 95935440 RGTZZWGNWIUOGX-UHFFFAOYSA-N 257.076 2.653 0 30 CFAC COC(=O)CCCCC(C)(C)C(C)(C)C(=O)OC 205070397 JBWNBSINYFXOCY-UHFFFAOYSA-N 258.358 2.945 0 30 CFAC COC(OC)c1ccc(I)cc1 28278617 AFFDFWRTCGIWLL-UHFFFAOYSA-N 278.089 2.583 0 30 CFAC Nc1ccc(I)c(Cl)c1F 102122737 QJJHECBUOCWQLT-UHFFFAOYSA-N 271.460 2.666 0 30 CFAC C=C(C)C(=O)OC1(OC(=O)C(=C)C)CCCCC1 117560989 XTNAQYPNHOEHCW-UHFFFAOYSA-N 252.310 2.885 0 30 CFAC O=C1NN=C(c2cccs2)C[C@H]1c1ccccc1 129232 BHAADCVCPUHYLF-NSHDSACASA-N 256.330 2.756 0 30 CFAC FC(F)[C@H]1NCCc2cc(Br)ccc21 220961674 CLUAOEKHVWOXPD-VIFPVBQESA-N 262.097 2.901 0 30 CFAC COc1ccc(C(=O)N(C)c2ccccc2C(=O)O)cc1 13440996 YCNKGYOUQDGKKC-UHFFFAOYSA-N 285.299 2.670 0 30 CFAC CC(=O)NCCC(c1ccc(N)cc1)c1ccc(N)cc1 96334165 CLKRBPGIVXBABH-UHFFFAOYSA-N 283.375 2.509 0 30 CFAC COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1O 2037833 CGTZOVPQCMHAIE-UHFFFAOYSA-N 284.267 2.880 0 30 CFAC biogenic CC[C@@H](C)Nc1ncnc2cc(OC)c(OC)cc12 116800 HZUHTNXRVQWONN-SECBINFHSA-N 261.325 2.857 0 30 CFAC Cc1cc(Br)cc(C)c1N1CCC[C@H](N)C1=O 88172848 KJUNVUNVHHGSCA-NSHDSACASA-N 297.196 2.520 0 30 CFAC in-vitro CC(C)Oc1cccc([C@@]2(O)CCN(C)C[C@@H]2C)c1 39022700 DFKRLCHQGGQAOS-XJKSGUPXSA-N 263.381 2.633 0 30 CFAC CC(C)(C)NC(=O)NC(=O)c1c(F)cccc1Cl 166201 CUIBCJMWKOZMKX-UHFFFAOYSA-N 272.707 2.717 0 30 CFAC O=C1CSC(=O)N1c1ccc(OC(F)(F)F)cc1 4377791 JECAZPXLAGPTGC-UHFFFAOYSA-N 277.223 2.785 0 30 CFAC Cc1c(O)c2cc(Br)ccc2oc1=O 199217424 VIUMTSFNEGGESX-UHFFFAOYSA-N 255.067 2.570 0 30 CFAC CC(C)COC(=O)CCSCCC(=O)OCC(C)C 5441337 IVXXVLUDEOIOKF-UHFFFAOYSA-N 290.425 2.898 0 30 CFAC CC(C)C[C@H](C)NC[C@@H](C)OC(=O)c1ccc(N)cc1 1715249 MQBUEWKGVRLTTI-QWHCGFSZSA-N 278.396 2.838 0 30 CFAC CC(C)(C)OC(=O)N1CCCc2cc(CN)ccc21 211210157 ULUXSTQSQMDTLP-UHFFFAOYSA-N 262.353 2.833 0 30 CFAC CC(C)(C)OC(=O)N1CCC(C23CC(C(=O)O)(C2)C3)CC1 606301567 LKGBJQWYSKVMKC-UHFFFAOYSA-N 295.379 2.888 0 30 CFAC CCOC(=O)c1cc(CC)sc1NC(=O)C(F)(F)F 90985 VFNZINGWFDLYLY-UHFFFAOYSA-N 295.282 2.988 0 30 CFAC NCc1ccc(Br)c(Br)c1 126435344 UXMFUBINPABFSZ-UHFFFAOYSA-N 264.948 2.670 0 30 CFAC COC(=O)c1cccc(OCc2ccccc2)c1O 34370791 LEKKVNCBPJFASR-UHFFFAOYSA-N 258.273 2.758 0 30 CFAC CC(C)(C)Nc1ncc(I)s1 85351954 NFSYCIYIFXBKQB-UHFFFAOYSA-N 282.150 2.958 0 30 CFAC O=C(Oc1ccc2c(c1)CC[C@H]2O)c1ccccc1 142634491 BYLOTVLXQLOEFG-OAHLLOKOSA-N 254.285 2.885 0 30 CFAC COC(=O)c1cc2cc(Br)sc2[nH]1 238855680 SORDGAKAVQODMJ-UHFFFAOYSA-N 260.112 2.779 0 30 CFAC O=C(O)CC1(CC(=O)NCc2ccco2)CCCCC1 129676 GAEUEGYJRLXGBF-UHFFFAOYSA-N 279.336 2.711 0 30 CFAC CCOC(=O)c1sc(=O)[nH]c1-c1ccccc1Cl 4294208 WPPIKCCYRDJSKK-UHFFFAOYSA-N 283.736 2.934 0 30 CFAC N[C@@H]1CN(C(=O)OCc2ccccc2)Cc2ccccc21 261508015 OXRNCHPKDAYCCC-MRXNPFEDSA-N 282.343 2.839 0 30 CFAC Cc1nn(-c2ccc(F)cc2F)c(Cl)c1C=O 36905259 NZPVTMNIACZTCC-UHFFFAOYSA-N 256.639 2.925 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@@H](O)[C@H]2C1 306251671 ISCNQMDGGSOEQD-HZSPNIEDSA-N 275.348 2.684 0 30 CFAC Brc1cnc2c(c1)NC1(CCCC1)N2 39711847 LOZQKIPRSNTGFB-UHFFFAOYSA-N 254.131 2.952 0 30 CFAC CCCCNC(=O)NCCSCc1ccco1 4364697 UKZBJMDNRKONJO-UHFFFAOYSA-N 256.371 2.612 0 30 CFAC CCOC(=O)[C@H]1CC12CCN(Cc1ccccc1)CC2 390775042 NZQANHGDSBBELG-OAHLLOKOSA-N 273.376 2.852 0 30 CFAC FC(F)(F)Oc1ccc(I)cn1 216074749 GFWZFVCJFBKZFK-UHFFFAOYSA-N 288.994 2.585 0 30 CFAC COC(=O)c1coc2cc(Br)ccc12 238338440 WBTLATUTHWZXSU-UHFFFAOYSA-N 255.067 2.982 0 30 CFAC CC[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1 215470710 GQYZSJXTZVUDFF-OAHLLOKOSA-N 277.320 2.652 0 30 CFAC OCCSCCCCCCCCSCCO 5113117 RFWDYENQLCEITI-UHFFFAOYSA-N 266.472 2.778 0 30 CFAC COc1cccc2c(=O)c3c(n(C)c12)O[C@@H](C(C)C)C3 1708391 FMEKJMQGMONLTQ-CYBMUJFWSA-N 273.332 2.507 0 30 CFAC biogenic,in-vitro CC(C)(C)OC(=O)N(CCc1ccccc1)CC(=O)O 39044925 ZRHNALVSXAVNMX-UHFFFAOYSA-N 279.336 2.551 0 30 CFAC CC(=O)Nc1c(F)cc(Br)cc1F 138728 OXMOETOVMNVVOM-UHFFFAOYSA-N 250.042 2.686 0 30 CFAC C[C@@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 173475 LNPDNDIGGRBFTO-IUODEOHRSA-N 255.317 2.539 0 30 CFAC C[n+]1ccn(C(F)(F)Br)c1-c1ccccc1 43879553 OBTAOGLICIFKEK-UHFFFAOYSA-N 288.115 2.881 0 30 CFAC COc1ccc2c(c1)C[C@H](C(=O)O)N(Cc1ccccc1)C2 247940182 ICPVFSJPIOJNQX-QGZVFWFLSA-N 297.354 2.707 0 30 CFAC CC(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1 3504371 ODJQAYIYMQYECH-UHFFFAOYSA-N 275.348 2.717 0 30 CFAC CC(C)[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 299805628 YIVJTOBSIHNWKU-CQSZACIVSA-N 257.374 2.652 0 30 CFAC CN(C)C=C1Sc2cc(Cl)ccc2NC1=O 12861208 NMLUPASJLDDXBG-UHFFFAOYSA-N 254.742 2.787 0 30 CFAC COC[C@H](C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1 171597 RFCKCNDROWSTTF-NSHDSACASA-N 260.337 2.549 0 30 CFAC Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2C)no1 156637 KWAOGLZDIODQBP-UHFFFAOYSA-N 282.303 2.636 0 30 CFAC CCCNC[C@@H]1CCCCN1C(=O)OC(C)(C)C 233077402 YJUMMNBTKRFXOA-LBPRGKRZSA-N 256.390 2.776 0 30 CFAC COC(=O)[C@@H](NCC(F)(F)F)c1ccc(F)cc1C 50580246 ABVZCTPSWAQDRY-JTQLQIEISA-N 279.233 2.500 0 30 CFAC O=C(O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 95883896 FMSXPVBLDQSTMV-UHFFFAOYSA-N 283.209 2.937 0 30 CFAC Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)O 39625855 KOPMNSNFLHYLMP-UHFFFAOYSA-N 270.210 2.804 0 30 CFAC C[C@@H]1c2snnc2-c2cc(Cl)ccc2S1(=O)=O 106044 OULXUGWHUWFTCE-RXMQYKEDSA-N 286.765 2.707 0 30 CFAC Cc1ccc2c(c1)oc(=O)n2CC(=O)c1ccccc1 147970 KQWHEQGHULZCMA-UHFFFAOYSA-N 267.284 2.786 0 30 CFAC COC(=O)c1ccc(Br)c(OCC(F)F)c1 200824501 YYKIOCNIWCNJOV-UHFFFAOYSA-N 295.079 2.880 0 30 CFAC CCC(=O)N1C(=S)SC[C@@H]1c1ccccc1 200012419 LGVYUGKSBWUYOP-SNVBAGLBSA-N 251.376 2.998 0 30 CFAC Cc1cc(O)c2c(O)c3c(cc2c1)[C@@H](O)CCC3=O 13311712 DCUUYLNMLNFTDN-JTQLQIEISA-N 258.273 2.569 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](CCN)c1ccc(F)cc1 39795870 RJFQPCWLHIKHOZ-LBPRGKRZSA-N 268.332 2.740 0 30 CFAC CCOC(=O)c1csc(-c2ccc3nonc3c2)n1 168579 FOTLFHBEPDYZEB-UHFFFAOYSA-N 275.289 2.523 0 30 CFAC C[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 238437126 WIXVUEQGJZPUQE-YPMHNXCESA-N 265.353 2.881 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(F)c2F)C1 95642319 KZPOSZVSBXRQDP-LBPRGKRZSA-N 298.333 2.846 0 30 CFAC COc1cccc(CCn2c(CCN)nc3ccccc32)c1 107271828 MFNUWIGNIUVXLS-UHFFFAOYSA-N 295.386 2.789 0 30 CFAC CC(C)(C)c1cc2[nH]c(-c3ccccc3)cc(=O)n2n1 165454 RFYVSMCCXFKJFM-UHFFFAOYSA-N 267.332 2.987 0 30 CFAC IC12CC(C[C@H]3CCOC3)(C1)C2 2265361408 HIMLWSMPLZFAMX-XNWIYYODSA-N 278.133 2.771 0 30 CFAC CCc1nn(C)c2nc(OCC(C)=O)c3ccccc3c12 33868319 ANIYUHHMZGSOTH-UHFFFAOYSA-N 283.331 2.652 0 30 CFAC CC(C)(C)OC(=O)c1ccc([C@H](F)C(=O)O)cc1 66325819 VBJJVQLWCJAQDQ-JTQLQIEISA-N 254.257 2.737 0 30 CFAC CNc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] 32263911 SDESEGYLPHQNFO-UHFFFAOYSA-N 253.258 2.842 0 30 CFAC Cc1cc(NC(=O)CN2CCCCC2)n(-c2ccccc2)n1 159418 UVXHNZBOHOFSAW-UHFFFAOYSA-N 298.390 2.605 0 30 CFAC O=c1c2cnn(-c3ccccc3)c2cnn1-c1ccccc1 124127 HILAFBFRDVFSKM-UHFFFAOYSA-N 288.310 2.571 0 30 CFAC CNC(=O)N(C1=NC[C@H](C)S1)c1cccc(C)c1 86418 SPNCKNUYCJGGCI-JTQLQIEISA-N 263.366 2.632 0 30 CFAC CO[C@@H](CCC[C@H](C)CO)C(C)(C)Br 6020580 DOOYDTPWMJXOPI-UWVGGRQHSA-N 267.207 2.974 0 30 CFAC CC(C)N1CCN(C[C@H](C)Nc2ccccc2)CC1 39269565 UZYRTXXIKNCTQO-HNNXBMFYSA-N 261.413 2.513 0 30 CFAC C[C@@H]1OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 78028 OEBOZCABBNTGJW-YFKPBYRVSA-N 260.076 2.865 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H]2CNC[C@@H]2c2ccccc21 91303499 ZJHFVSCJIQAGQF-YPMHNXCESA-N 274.364 2.745 0 30 CFAC C=CCOC(=O)C(=Cc1ccccc1)C(=O)OCC=C 1696062 GBWQETCVMFHVBQ-UHFFFAOYSA-N 272.300 2.528 0 30 CFAC CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@@H]1CO 675050872 WIKFEIPRXGIMKE-GFCCVEGCSA-N 269.385 2.939 0 30 CFAC CC[C@@H](CO)NC(=S)Nc1c(C)cc(C)cc1C 71776 AMUGHPHPKUQDTQ-LBPRGKRZSA-N 266.410 2.669 0 30 CFAC O=C(O)C1(c2cccc(F)c2Br)CC1 84610702 OZELKUDOXYDLOB-UHFFFAOYSA-N 259.074 2.704 0 30 CFAC NC(=O)c1c(Cl)c(-c2cccnc2)n2c1CCCC2 7443 KNGXENHWYNLKBU-UHFFFAOYSA-N 275.739 2.639 0 30 CFAC Nc1ccccc1C(=O)NCCc1ccc(Cl)cc1 167452 YPXWKWNBLJVVBY-UHFFFAOYSA-N 274.751 2.895 0 30 CFAC Cc1ccccc1/C=C/C(=O)Oc1ccc(C(=N)N)cc1 96336388 PSSASEIFCXYKEU-DHZHZOJOSA-N 280.327 2.898 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2CCC(=O)C[C@@H]2C1 76695001 NDYOYBIEJAHUTD-WDEREUQCSA-N 253.342 2.613 0 30 CFAC CC(C)(C)OC(=O)Nc1ccc(NC2COC2)cc1 227594365 IAURPHVGFLWCPM-UHFFFAOYSA-N 264.325 2.844 0 30 CFAC O=C1OC[C@@H](c2ccccc2)N1c1ccnc(Cl)n1 218471142 NWHBYLZBPGSARH-JTQLQIEISA-N 275.695 2.828 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCCNC1 685945626 RMKRHIQQCLWWJL-HEHGZKQESA-N 280.412 2.776 0 30 CFAC COc1ccccc1[C@@H]1O[P@](=O)(O)OC1(C)C 44018860 ANFXUPMRLJSYKY-JTQLQIEISA-N 258.210 2.662 0 30 CFAC CCOC(=O)c1noc(-c2ccccc2)c1C(=O)OCC 39119900 HDLJNESJOOIEKI-UHFFFAOYSA-N 289.287 2.695 0 30 CFAC O=C(Nc1ccccc1)c1cccc2nsnc12 12340934 DWRBVEVWCPXMQL-UHFFFAOYSA-N 255.302 2.944 0 30 CFAC O=C1Nc2ccccc2C1=Cc1cccc(C(=O)O)c1 2265239485 MJKGNDUTAHLMMQ-UHFFFAOYSA-N 265.268 2.878 0 30 CFAC O=C(NCCc1cccc(C(=O)O)c1)OCc1ccccc1 82599488 MFEDFCPJJYCGJR-UHFFFAOYSA-N 299.326 2.854 0 30 CFAC N#CCc1nnc(S)n1-c1ccc(Cl)c(Cl)c1 137851 YWLJWSBPAVYSOB-UHFFFAOYSA-N 285.159 2.929 0 30 CFAC N=C(N)N1C(N)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 206461776 SCPRECBHQADPBM-ZDUSSCGKSA-N 299.765 2.585 0 30 CFAC COc1ccccc1NC(=O)C1=C(C)OCCS1 129199 GHONALNTQUCAEN-UHFFFAOYSA-N 265.334 2.629 0 30 CFAC COC(=O)c1cccc(OCc2ccccc2)c1N 95883646 CUMHMQKSSZKGRY-UHFFFAOYSA-N 257.289 2.634 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 218954000 COGAVGGBUOCSBQ-UTUOFQBUSA-N 283.368 2.887 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2C(=O)c3cccc(F)c3[C@@H]2C1 95631329 RFJVEISIPKFDLY-MNOVXSKESA-N 291.322 2.973 0 30 CFAC CC(C)(C)OC(=O)N1CCC(c2cc(N)ccn2)CC1 238076569 OBZBTZDMJGWSSX-UHFFFAOYSA-N 277.368 2.778 0 30 CFAC C[C@H]1[C@H](C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C 260240563 WGILMBITEGFAGY-CABZTGNLSA-N 277.320 2.998 0 30 CFAC Cc1cccc(C)c1NC1=N[C@](C)(CO)CS1 72951 PBSUIFCZZFAASR-CYBMUJFWSA-N 250.367 2.569 0 30 CFAC COCc1cc(=O)[nH]c(-c2ccc(C)c(Cl)c2)n1 36053296 BMSLXNPFXGLMDO-UHFFFAOYSA-N 264.712 2.545 0 30 CFAC Cc1cc(-c2nnnn2-c2ccc(C(F)(F)F)cc2)no1 122737 AIKYTFPMHSFSPF-UHFFFAOYSA-N 295.224 2.645 0 30 CFAC NCc1ncc(-c2cccc(Br)c2)o1 75429823 OSXXJYXAASXOBE-UHFFFAOYSA-N 253.099 2.563 0 30 CFAC Cc1c(C(C)C)c(=O)on1C(=O)N(C)Cc1ccccc1 26848752 RCLSTPIEXORMJO-UHFFFAOYSA-N 288.347 2.973 0 30 CFAC C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 37300608 RPQDFWLDFGGRKB-GFCCVEGCSA-N 279.343 2.774 0 30 CFAC in-vitro Ic1cccc(Oc2ccncn2)c1 42418328 DFIAGWUAJJEROA-UHFFFAOYSA-N 298.083 2.874 0 30 CFAC in-vitro CC(C)(C)OC(=O)COc1cccc(Br)n1 390415859 LUBRJVIWCMCNCP-UHFFFAOYSA-N 288.141 2.565 0 30 CFAC Cc1ccc(N2CCN(C3CN(C(C)(C)C)C3)CC2)cc1 87492704 OMZHGUWPAKDAAU-UHFFFAOYSA-N 287.451 2.600 0 30 CFAC O=C(O)c1ccc(C(=O)O)c(Oc2ccccc2)c1 14443332 VQIKAPKIEUECEL-UHFFFAOYSA-N 258.229 2.875 0 30 CFAC Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 172945 HCJPLIMIYWMBRS-UHFFFAOYSA-N 272.254 2.972 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2C(=O)CCC[C@H]2C1 144696158 XBDUKKODGGWYIN-WDEREUQCSA-N 253.342 2.613 0 30 CFAC CCOc1ccc([C@@]2(C(=O)O)CC2(Cl)Cl)cc1 34099347 DQXVWYCZSNWWIU-LLVKDONJSA-N 275.131 2.985 0 30 CFAC CC(=O)Nc1nc2c(C)c(C)c(O)c(C)c2s1 196174006 ZSWMLKRBFROSEM-UHFFFAOYSA-N 250.323 2.886 0 30 CFAC CCOC(=O)[C@]1(c2ccccc2)CCCN(C)C[C@H]1C 4213807 BOSULDNQDJLKKL-RHSMWYFYSA-N 275.392 2.849 0 30 CFAC O=C(CO)c1cn(Cc2ccccc2)c2ccccc12 3602488 UABGNJZDPASNEW-UHFFFAOYSA-N 265.312 2.865 0 30 CFAC CCc1c(Cl)cc(S(=O)(=O)O)c(O)c1Cl 36461084 RTTKBGCGHTVPGS-UHFFFAOYSA-N 271.121 2.508 0 30 CFAC C[C@](N)(Cc1ccc(-c2ccccc2)cc1)C(=O)O 36914692 KGPOAGRUGOUXOK-INIZCTEOSA-N 255.317 2.698 0 30 CFAC COc1cc(Br)c(Br)nc1OC 118889862 OSULVQGSODZGMD-UHFFFAOYSA-N 296.946 2.624 0 30 CFAC O=C(O)CN1C(=O)c2ccccc2CCc2ccccc21 25988168 PPDITWWAUXVIGN-UHFFFAOYSA-N 281.311 2.517 0 30 CFAC O=c1n(Cc2ccccc2)c2cccc3c2n1CC=C3 33962678 BKVJGVWAZXFZOM-UHFFFAOYSA-N 262.312 2.878 0 30 CFAC Oc1nc2ccccc2nc1NN=Cc1ccc(F)cc1 254510744 JGDHUTAIUPLSIU-UHFFFAOYSA-N 282.278 2.921 0 30 CFAC CN(C)C[C@H]1CCCC[C@]1(O)OCc1ccccc1 33867437 RZQYCLWPTJRMML-CVEARBPZSA-N 263.381 2.644 0 30 CFAC Cc1cc(NC(=O)CCOc2ccc(F)cc2)no1 107267 ROHUPZWQDJRIOG-UHFFFAOYSA-N 264.256 2.530 0 30 CFAC CC1=C2[C@H](/C=C(/C)C(=O)O)CC[C@H](C)[C@@H]2C[C@H]1O 96327022 LHSNXDDJSAHAFU-RLTFFQIGSA-N 250.338 2.761 0 30 CFAC Fc1c(Br)cncc1Br 95347550 VLODMVMHEYZOCZ-UHFFFAOYSA-N 254.884 2.746 0 30 CFAC in-vitro CC(C)(C)OC(=O)Nc1cccc(F)c1CC(=O)O 22005292 YDMOOFXQMAAXHB-UHFFFAOYSA-N 269.272 2.800 0 30 CFAC COC(=O)[C@@]1(c2ccccc2)CCCN(C)[C@H](C)C1 33852227 RAAFYFKWMRWOIT-CJNGLKHVSA-N 261.365 2.602 0 30 CFAC in-man COCCCNc1nc(Cl)nc(NC2CCCCC2)n1 38636527 RHRPNOHMMGIBHD-UHFFFAOYSA-N 299.806 2.718 0 30 CFAC CCCCCCC(C)(C)C1=[N+](CCO)CCN1CC 60258239 DXPIAFQYDGDCBC-UHFFFAOYSA-N 269.453 2.722 0 30 CFAC O=C(O)CSCC(=O)Nc1cc(Cl)cc(Cl)c1 100791 XXFIXIQZOKNZJS-UHFFFAOYSA-N 294.159 2.750 0 30 CFAC CC(=O)[C@@H]1C(=O)c2ccccc2N(C2CCCCC2)C1=O 957741133 JFABHJLOOLVWJK-OAHLLOKOSA-N 285.343 2.754 0 30 CFAC Brc1ccoc1I 196578700 HTSODYWNVCMVCF-UHFFFAOYSA-N 272.867 2.647 0 30 CFAC O=C(/C=C/c1cccc2ccccc12)N1CCOCC1 164804 PZVVPYZHCFFAIR-CMDGGOBGSA-N 267.328 2.712 0 30 CFAC Cc1ccc(Br)c2c1C1(CC2)OCCO1 39326117 ZMSHXGCHJNAZTJ-UHFFFAOYSA-N 269.138 2.903 0 30 CFAC CC1(C)CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC1 79656767 AVXQZDKVLCWQMD-UHFFFAOYSA-N 271.357 2.935 0 30 CFAC NNc1ccc(C(F)(F)F)c(Br)c1 204007284 CWDINZQGPXTDDW-UHFFFAOYSA-N 255.037 2.754 0 30 CFAC O=C1COc2cc(Br)cc(Br)c21 307065715 URKUWIAMPMKDNI-UHFFFAOYSA-N 291.926 2.787 0 30 CFAC COc1ccc2c(c1)O[C@]1(O[C@@H]1c1ccccc1)C2=O 32267282 XQNZZUOCNPCTPY-CVEARBPZSA-N 268.268 2.738 0 30 CFAC O=C1NC(c2ccccc2)=N/C1=C/c1cccs1 129545 UULVNFVXDNNIGK-FMIVXFBMSA-N 254.314 2.666 0 30 CFAC CCOC(=O)c1sc(CC(F)(F)F)nc1C 309240712 WPVGQJVFOFIMRV-UHFFFAOYSA-N 253.245 2.733 0 30 CFAC CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1ncno1 390822139 KDSMYNRKWFIKAD-GFCCVEGCSA-N 289.335 2.878 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](CC(=O)O)C(F)(F)CC1 219270732 RVJOPVMUFSOOPG-SECBINFHSA-N 293.310 2.744 0 30 CFAC CCC(=O)Oc1cccc2[nH]cc(CCN(C)C)c12 2265384846 KUOGXPDQORRHED-UHFFFAOYSA-N 260.337 2.587 0 30 CFAC O=C1CCCc2cc(NC(=O)C(F)(F)F)ccc21 91362357 FMJGFTJVVGCCER-UHFFFAOYSA-N 257.211 2.706 0 30 CFAC CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)O 35320728 KBNWQHBFWUPCTE-UHFFFAOYSA-N 250.685 2.991 0 30 CFAC in-vitro c1ccc(CN2CCC[C@@H](NCc3ccncc3)C2)cc1 37325863 LBZFMMNDAKTLKN-GOSISDBHSA-N 281.403 2.836 0 30 CFAC in-vitro Brc1ccc(OC[C@@H]2CCCN2)cc1 20221708 NYSAHVDGMKWLFO-JTQLQIEISA-N 256.143 2.580 0 30 CFAC CC(C)NCCN(CCN(C(C)C)C(C)C)C(C)C 143832625 OYUMCGDOGQTIIN-UHFFFAOYSA-N 271.493 2.814 0 30 CFAC CCOC(=O)c1sc(-c2cccc(CN)c2)nc1C 11887505 LIIMEYZHJXGONI-UHFFFAOYSA-N 276.361 2.754 0 30 CFAC Nc1cccc(Nc2nc(F)nc(F)c2Cl)c1 33606896 XLRVZZPXDZWHEP-UHFFFAOYSA-N 256.643 2.734 0 30 CFAC CC(C)N[C@H](Oc1csc2ccccc12)[C@H](C)O 199887465 TZRNEEFZMYUKED-IINYFYTJSA-N 265.378 2.985 0 30 CFAC COC(=O)[C@@H]1CC[C@H](Nc2nc(Cl)cs2)C1 685939340 GMNLJOGTZQCIHE-RQJHMYQMSA-N 260.746 2.550 0 30 CFAC Cc1c(-c2ccc(Br)cc2)n[nH]c1N 36936076 DPNFMCDHTNJCKC-UHFFFAOYSA-N 252.115 2.730 0 30 CFAC FC(F)(F)COc1cccc(Br)n1 69017026 LXODSNMLYAMXDO-UHFFFAOYSA-N 256.021 2.785 0 30 CFAC COc1cncc(Br)c1Br 218589808 SYKAIWLPBWUPCH-UHFFFAOYSA-N 266.920 2.615 0 30 CFAC Cn1nc(C(F)(F)F)cc1OC(=O)c1cccs1 79604 CLRUZAFVSNWIJR-UHFFFAOYSA-N 276.239 2.720 0 30 CFAC Cc1nc(CSc2nc(C(F)(F)F)n[nH]2)cs1 1047497 UOIFESBWLDVFTM-UHFFFAOYSA-N 280.300 2.881 0 30 CFAC O=c1[nH][nH]c(=S)n1-c1ccc(OCc2ccccc2)cc1 128009 KUFRIFASSGYSNL-UHFFFAOYSA-N 299.355 2.802 0 30 CFAC O=S(=O)(c1ccc(C(F)(F)F)cn1)c1cccs1 148825 FTYGOQFFVSVOHT-UHFFFAOYSA-N 293.291 2.995 0 30 CFAC C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1O 33506192 PNYKSCBMMRTDJD-SNVBAGLBSA-N 270.284 2.811 0 30 CFAC Fc1ccc(-c2nc(-c3cnccn3)no2)c(Cl)c1 114247 UZPLBNVRQRJTAB-UHFFFAOYSA-N 276.658 2.986 0 30 CFAC CCCCc1c(O)c2cnn(-c3ccccc3)c2[nH]c1=O 4344094 QZEXOJDLNYYACG-UHFFFAOYSA-N 283.331 2.762 0 30 CFAC Clc1cc(N2CCOCC2)c2sccc2n1 717922967 ONDKGARGEGIQNZ-UHFFFAOYSA-N 254.742 2.786 0 30 CFAC Cc1c(-c2ccnn2S(C)(=O)=O)sc2ccccc12 172336 IZTCTINXOJPJHA-UHFFFAOYSA-N 292.385 2.881 0 30 CFAC CC(C)(C)OC(=O)N1CCC(Oc2nccs2)CC1 95083560 RHANAIUBTWJSSA-UHFFFAOYSA-N 284.381 2.921 0 30 CFAC CCCCOC(=O)C1(c2ccccc2)CCNCC1 33607490 OZJCIMHJVLVRGA-UHFFFAOYSA-N 261.365 2.651 0 30 CFAC Cc1cc2c(=O)c(C(=O)O)cn(C(C)C)c2s1 35570265 SFUMPEMXBMMAGD-UHFFFAOYSA-N 251.307 2.651 0 30 CFAC COC(=O)c1sc(SC)c(-c2cc[nH]n2)c1C 4344839 WHGJVZBNJHAXHC-UHFFFAOYSA-N 268.363 2.955 0 30 CFAC Cc1noc(C)c1C(=O)n1ccc(-c2cccs2)n1 156421 SHWKBERTBRPPNK-UHFFFAOYSA-N 273.317 2.905 0 30 CFAC Brc1ccc2nc3c(cc2c1)CCO3 32099825 MRZAUSLCSCIMMI-UHFFFAOYSA-N 250.095 2.932 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCN1 96958501 SORFVNGKJQCDMN-RYUDHWBXSA-N 254.374 2.528 0 30 CFAC CC[S@@](=N)(=O)c1cc(Br)ccc1OC 695049353 OHNNNZJHUMZXLJ-CQSZACIVSA-N 278.171 2.883 0 30 CFAC CC(C)(C)C(C)(C)O[P@](=O)(O)c1ccc(N)cc1 96341900 OZJDJWBHYGANDS-UHFFFAOYSA-N 271.297 2.921 0 30 CFAC O=C(OCc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](CO)C2 261300752 BYTYNVIRGLRSME-QDMKHBRRSA-N 275.348 2.559 0 30 CFAC CCOC(=O)c1cccc(-c2cnc([C@H]3CCCN3)cn2)c1 606241626 JSJCVLASCCCGAO-CQSZACIVSA-N 297.358 2.745 0 30 CFAC Cc1cc(Br)cc(C)c1N1CCC[C@@H](N)C1 83848973 YHSUTTVOZOMBGW-GFCCVEGCSA-N 283.213 2.993 0 30 CFAC in-vitro COc1ccc(OC)c(CC(=O)c2ccc(O)cc2O)c1 95934511 REMBKOKSZWCKDJ-UHFFFAOYSA-N 288.299 2.540 0 30 CFAC COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(C(C)C)cc1 4336088 CMTDZKCESKVIQO-CQSZACIVSA-N 287.359 2.861 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)CC1=O 115689367 MROCKLUQRRDBJK-ZETCQYMHSA-N 267.247 2.722 0 30 CFAC O=C(O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccccc1 5947912 SFMWMHANAIASAR-UHFFFAOYSA-N 298.250 2.569 0 30 CFAC Cc1ccc(/C=C/c2onc3c(=O)n(C)nc(C)c23)cc1 132261 ONRXBXHEGOPMBN-CMDGGOBGSA-N 281.315 2.709 0 30 CFAC O=C(O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 54634379 VEJUUPQZBSPJHP-GFCCVEGCSA-N 274.238 2.739 0 30 CFAC Cc1c(CN2CCC[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 165161 HTCXILRWISWNFQ-AWEZNQCLSA-N 299.418 2.716 0 30 CFAC CCOC(=O)c1cc(CC)c2cc(Cl)ccn2c1=O 39154348 CJWXJLFLVDOUPP-UHFFFAOYSA-N 279.723 2.692 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@@H](N)[C@H]2C1 306216178 BSSUBMYYRYHUSD-HZSPNIEDSA-N 274.364 2.651 0 30 CFAC COc1ccc(Br)c2c1CCC(=O)C2 90530465 DZFRKXLZZQPQQW-UHFFFAOYSA-N 255.111 2.516 0 30 CFAC COc1cc(NCCCCN)c2nccc(C)c2c1 31494757 VEFUIAVYBDKWJG-UHFFFAOYSA-N 259.353 2.703 0 30 CFAC O=C1CCCN1c1ccc(Br)c(F)c1 83826904 AFDHVMQGXHHQRJ-UHFFFAOYSA-N 258.090 2.715 0 30 CFAC in-vitro Cc1csc2c(=O)sc(NC(=O)c3ccco3)nc12 119526 MVAPKKLBYQVJJE-UHFFFAOYSA-N 292.341 2.872 0 30 CFAC CCOC(=O)[C@]1(c2ccccc2)CCCN(C)C[C@@H]1C 5857177 BOSULDNQDJLKKL-WMLDXEAASA-N 275.392 2.849 0 30 CFAC in-man C[C@@H]1CCCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)C1 102934283 FDMGLVGIDWLXTC-VOAKCMCISA-N 252.427 2.781 0 30 CFAC CC(C)(C)OC(=O)N1CCC(CCCCN)CC1 44281118 HHOFUZXTBHKGTC-UHFFFAOYSA-N 256.390 2.763 0 30 CFAC O=C(NCc1cccnc1)Nc1cnccc1C(F)(F)F 77549 KUUQSMSIWNEVPO-UHFFFAOYSA-N 296.252 2.817 0 30 CFAC Cc1nc([C@H]2COc3ccccc3O2)sc1C(=O)O 168805 YZKRTPGIMBIDMW-SNVBAGLBSA-N 277.301 2.662 0 30 CFAC CC[C@@]1(C(=O)O)CCCCN1C(=O)OC(C)(C)C 91361913 HQJICVKIZGMLRY-ZDUSSCGKSA-N 257.330 2.641 0 30 CFAC COC(=O)[C@@]1(c2ccccc2)CCCN(C)[C@@H](C)C1 4213813 RAAFYFKWMRWOIT-BBRMVZONSA-N 261.365 2.602 0 30 CFAC in-man CCN(CN)CCOc1ccc(Cc2ccccc2)cc1 575319699 JDYJUMFNISGFHU-UHFFFAOYSA-N 284.403 2.894 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H](c2cc[nH]n2)C1 616628243 DLUCEDVVICPVDR-NSHDSACASA-N 265.357 2.914 0 30 CFAC Fc1cccc(Cl)c1CNC[C@@H]1CCCNC1 437174577 XLFBKLKGDIIQKQ-SNVBAGLBSA-N 256.752 2.568 0 30 CFAC Oc1ccc2cc(I)cnc2c1 95830139 LUACABFOCIAIIX-UHFFFAOYSA-N 271.057 2.545 0 30 CFAC Nc1nc(Cl)nc(Cl)c1N(C=O)Cc1ccccc1 1599200 ZIFCEMQHLFVMLJ-UHFFFAOYSA-N 297.145 2.529 0 30 CFAC Cn1cc(-c2cnc3ccc(Br)cc3n2)cn1 139411087 YNUKVBWZLAROPU-UHFFFAOYSA-N 289.136 2.793 0 30 CFAC Cc1ccc(OC(=O)C(=O)Oc2ccc(C)cc2)cc1 96334452 AHXJGDRTHIUPPM-UHFFFAOYSA-N 270.284 2.814 0 30 CFAC O=C(O)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 70561 NBHUXSHPWLAAKT-AWEZNQCLSA-N 271.272 2.653 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H](O)CC[C@H]21 250600853 ZHKMOSFUKMJOEU-IJLUTSLNSA-N 255.358 2.547 0 30 CFAC CSc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 13468475 RNKNPESGUCARBZ-CHWSQXEVSA-N 273.357 2.864 0 30 CFAC CCOC(=O)c1nc(-c2ccc(Cl)nc2)n(C)c1C 2265356129 CZJLACASBOSSIL-UHFFFAOYSA-N 279.727 2.621 0 30 CFAC CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)O)(c2ccccc2)C1 669372390 QLDVSGPRBSPQEB-YGUOUDRMSA-N 291.347 2.696 0 30 CFAC Cc1cccc([C@@H](NCc2ccccc2)C(=O)O)c1 37952371 JXAYSCVCTAFHKY-OAHLLOKOSA-N 255.317 2.911 0 30 CFAC CC(C)(C)CNC(=O)NC(=O)c1ccc(F)c(Cl)c1 3137843 CPSITJQMISCHIM-UHFFFAOYSA-N 286.734 2.965 0 30 CFAC CC(C)(C)OC(=O)NCc1c(N)cccc1Cl 219727679 OIJLQDYOBNPVRN-UHFFFAOYSA-N 256.733 2.947 0 30 CFAC CCOCC(=O)N(c1c(C)cccc1CC)[C@H](C)COC 238791298 OIVFMFRNCWZHCK-CQSZACIVSA-N 293.407 2.962 0 30 CFAC COC(=S)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 13466649 ULYNWOLMGAATCZ-PHIMTYICSA-N 280.393 2.643 0 30 CFAC Brc1ccc2c(c1)CCC21OCCCO1 15042540 SQZFXBSRUZMGTG-UHFFFAOYSA-N 269.138 2.985 0 30 CFAC O=C(Cc1ccccc1C(=O)O)c1ccc(F)cc1 6095284 BDNMWBHSKATDFB-UHFFFAOYSA-N 258.248 2.949 0 30 CFAC CO[C@H]1CCN(c2ccc(N)cc2C(F)(F)F)C1 234984373 DOADRNNXQMNEKB-VIFPVBQESA-N 260.259 2.513 0 30 CFAC CCOC(=O)c1cc2cc(Br)cnc2o1 261215297 RSTMNCGAFGLQBO-UHFFFAOYSA-N 270.082 2.767 0 30 CFAC CN[C@@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OCc1ccccc1 575447668 QXNYDGDGCRFDBF-MUJYYYPQSA-N 288.391 2.928 0 30 CFAC Cc1ccc(-c2cc(Cc3cccnc3)c(=O)[nH]n2)cc1 148335 WNDCUQFFONEMGJ-UHFFFAOYSA-N 277.327 2.731 0 30 CFAC CC[C@]1(C(=O)O)CCCCN1C(=O)OC(C)(C)C 91361911 HQJICVKIZGMLRY-CYBMUJFWSA-N 257.330 2.641 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](N)CC[C@H]21 76695239 YPAOLNGJEGCXIG-GRYCIOLGSA-N 254.374 2.513 0 30 CFAC CC(C)(C)OC(=O)NC1(c2cccc(CN)c2)CC1 211211929 ATJUTMQSYALOCJ-UHFFFAOYSA-N 262.353 2.659 0 30 CFAC CCCCN1CCC(OC(=O)c2ccc(N)cc2)CC1 33875219 FPXPJUPBDLBNHX-UHFFFAOYSA-N 276.380 2.690 0 30 CFAC Cc1cc(C[C@@H](C)N)c(C)cc1I 6069813 XNLVEGLGFMXLAQ-SECBINFHSA-N 289.160 2.798 0 30 CFAC O=C1CS[C@@H](c2cccnc2)N1c1ccccc1 99440 UITXVOXYPYEUFH-AWEZNQCLSA-N 256.330 2.860 0 30 CFAC FC(F)(F)c1cnc2nc(Br)cnc2c1 238513664 YYCQPICPINOMPA-UHFFFAOYSA-N 278.031 2.806 0 30 CFAC O=C(O)Cc1c(Cl)cc([N+](=O)[O-])cc1Cl 116095205 WWGJUEBXGNZEFS-UHFFFAOYSA-N 250.037 2.529 0 30 CFAC Cc1cccc(C(=O)Cc2ccc3ncccc3n2)n1 141302177 WPBYVIHZCZTSNU-UHFFFAOYSA-N 263.300 2.759 0 30 CFAC C[C@@H](NC(=O)OCCN1CCCC1)c1ccccc1 5751743 GYMUBLZUHKTEIC-CYBMUJFWSA-N 262.353 2.570 0 30 CFAC O=C(NCC1CC1)NC(=O)c1c(Cl)cccc1Cl 91196 MUSKJOAMZLVGRM-UHFFFAOYSA-N 287.146 2.843 0 30 CFAC O=C1C[C@@H](c2ccccc2)S(=O)(=O)c2ccccc21 85369 NJSMBEUZSLKMHB-HNNXBMFYSA-N 272.325 2.788 0 30 CFAC Cc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O 101393 RWNJIFKFNSGJKY-UHFFFAOYSA-N 272.691 2.844 0 30 CFAC C[C@@H](CN1C(=O)c2cccnc2Nc2ccccc21)N(C)C 671 YFLBETLXDPBWTD-LBPRGKRZSA-N 296.374 2.736 0 30 CFAC in-man Nc1nc2cc(Br)c(Br)cc2[nH]1 307354043 PNSUDUZATFEAPX-UHFFFAOYSA-N 290.946 2.670 0 30 CFAC COP(=O)(OC)C1(C(=O)OC(C)(C)C)CC=CC1 138987345 HENROGZAKDPPJN-UHFFFAOYSA-N 276.269 2.903 0 30 CFAC CCOC(=O)c1cncn1[C@H]1CCCc2ccccc21 270 MOAUPJJXPRLKFN-AWEZNQCLSA-N 270.332 2.986 0 30 CFAC in-man Clc1cc(Br)cc2c1OCCNC2 84179564 UETZYHNLCRUGLE-UHFFFAOYSA-N 262.534 2.585 0 30 CFAC CC(=O)Nc1ccc(O[C@@H](O)C(Cl)(Cl)Cl)cc1 1999281 NFZJQAPVHJPJMD-SECBINFHSA-N 298.553 2.712 0 30 CFAC in-man CC(C)(C)OC(=O)N1C[C@H]2CNC[C@H]2c2ccccc21 101095939 ZJHFVSCJIQAGQF-DGCLKSJQSA-N 274.364 2.745 0 30 CFAC C[C@H]1CC[C@@H](CNc2ccc(Br)cn2)NC1 168694419 QFPKPLFTVNTEBB-ONGXEEELSA-N 284.201 2.644 0 30 CFAC Cc1ccc(Br)cc1C(=O)NC(C)C 74959393 YYIAIJDBRFCFRH-UHFFFAOYSA-N 256.143 2.896 0 30 CFAC CCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1 5486540 QHVCBWDCXLYOAU-UHFFFAOYSA-N 289.335 2.562 0 30 CFAC biogenic CCCC[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O 4214101 ZYPGADGCNXOUJP-CXVPHVKISA-N 291.391 2.745 0 30 CFAC in-man O=S(=O)(Cc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1O 74654 VYXJJRMZUCWARE-STQMWFEESA-N 288.796 2.558 0 30 CFAC O=C1CCCCCCC(=O)NCCCCCCCCN1 150335729 DMKPXLRLGODNNI-UHFFFAOYSA-N 282.428 2.914 0 30 CFAC Cc1cc(C)c(C(=O)O)c(CC(C)(C)C(=O)O)c1 137059 AGXDBBWISJYAST-UHFFFAOYSA-N 250.294 2.655 0 30 CFAC S=C(NCCc1ccccc1)N[C@H]1C[C@H]2C=C[C@H]1C2 100234562 HDDQQCARXKPJRF-KKUMJFAQSA-N 272.417 2.658 0 30 CFAC Brc1ccc(NC2=NCCN2)c2ccccc12 1852478 BNBWHLLLQOAKDN-UHFFFAOYSA-N 290.164 2.973 0 30 CFAC CCN(CC)CCOCC(=O)Nc1c(C)cccc1C 1852520 JRFCAMMTEZKGML-UHFFFAOYSA-N 278.396 2.600 0 30 CFAC CC1(C)CCC[C@]2(O)Cc3c(O)ccc(O)c3C[C@H]12 13407978 STRGITGQLGORKH-ZBFHGGJFSA-N 262.349 2.754 0 30 CFAC NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1 113229795 BXUREXFVDLTTIL-UHFFFAOYSA-N 281.764 2.632 0 30 CFAC CSc1ccc(C(=O)NC(=O)Nc2cc(C)on2)s1 109297 GABRABOXSOTYCL-UHFFFAOYSA-N 297.361 2.728 0 30 CFAC O[C@]1(C(F)(F)F)CC(C23CC4CC(CC(C4)C2)C3)=NN1 114760 ITTVZCJNLJMVBL-MYZRWVGDSA-N 288.313 2.803 0 30 CFAC Cc1noc(C)c1C(=O)c1c(C)nn(-c2ccccc2)c1O 1031403 SIJWMUPXYUUVJD-UHFFFAOYSA-N 297.314 2.722 0 30 CFAC CCCCNC(=O)Nc1cc(C(C)(C)C)nn1C 4324966 UZYJSVVSIKOIDL-UHFFFAOYSA-N 252.362 2.639 0 30 CFAC CC(=O)c1ccc(NC(=O)O[C@H]2CCSC2)cc1 142141 LLKMTGONJQRHFA-LBPRGKRZSA-N 265.334 2.943 0 30 CFAC COC(=O)CCCCCCCC(=O)Nc1nccs1 3139071 PUZJDKFOSDSTIL-UHFFFAOYSA-N 284.381 2.985 0 30 CFAC CC(C)([C@H](N)c1ccc(F)c(F)c1)N1CCCC1 91533943 WJXRTQWHUVATOZ-CYBMUJFWSA-N 254.324 2.839 0 30 CFAC in-vitro CCn1c(SCC(=O)O)nc2cc(Cl)ccc21 121265 AICCSJVYFVXJEO-UHFFFAOYSA-N 270.741 2.886 0 30 CFAC CC(C)NCC[C@H](O)COc1cccc2ccccc12 5760441 IMYHAHXEGVXRLD-HNNXBMFYSA-N 273.376 2.968 0 30 CFAC CCOC(=O)[C@@]1(c2ccccc2)CCCN(C)C[C@H]1C 100041346 BOSULDNQDJLKKL-PBHICJAKSA-N 275.392 2.849 0 30 CFAC C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C1 4377593 KPXMWMXKALDJRT-JIMOISOXSA-N 261.296 2.751 0 30 CFAC O=C(O)CCc1c(F)cc(Br)cc1F 75902152 HLELMAMHQYOLPB-UHFFFAOYSA-N 265.053 2.745 0 30 CFAC O=C(N[C@H]1CCCCC[C@@H]1O)OCc1ccccc1 130891600 AMGAYIMPQQNONB-KBPBESRZSA-N 263.337 2.606 0 30 CFAC COC(=O)c1cc(Cl)c(Br)c(F)c1N 606301558 KXCLZRJHAIASTC-UHFFFAOYSA-N 282.496 2.610 0 30 CFAC O[C@@H]1C(=Cc2c(F)cccc2Cl)N2CCC1CC2 2265269940 VFXZDJWKCIRXPG-AWEZNQCLSA-N 267.731 2.907 0 30 CFAC CCOC(=O)C(=O)c1ccsc1C(F)(F)F 397443891 FXLNETUAHJNPFE-UHFFFAOYSA-N 252.213 2.513 0 30 CFAC FC(F)(F)c1ccnc(I)c1 95761423 PCUPRDLSSLJRPI-UHFFFAOYSA-N 272.995 2.705 0 30 CFAC c1ccc(-c2cnn3c(C4CCCC4)nnc3n2)cc1 33890829 DSLXNVNELKWDPQ-UHFFFAOYSA-N 265.320 2.844 0 30 CFAC CCOC(=O)/C=C/[C@@H]1CCCCN1C(=O)OC(C)(C)C 71609718 LSVNHQKKSIBYCM-VMPCVLLUSA-N 283.368 2.895 0 30 CFAC CCn1cc(C(=O)OC)c(=O)c2cc(C(F)(F)F)ccc21 106363 KUUYBKICUAGZAL-UHFFFAOYSA-N 299.248 2.827 0 30 CFAC COc1ccccc1[C@@H](N)[C@H](C)NC(=O)OC(C)(C)C 407060438 GUFIHQIUXBCALK-GWCFXTLKSA-N 280.368 2.608 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCCN1 96946817 XOZZUEAIFAOYDA-OLZOCXBDSA-N 268.401 2.918 0 30 CFAC CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCNCC1 616583315 YYIRDJGVPMNUAA-CYBMUJFWSA-N 280.412 2.776 0 30 CFAC CCCN(CCC)S(=O)(=O)c1ccccc1C 74193968 LSDVBQXFLHEXKK-UHFFFAOYSA-N 255.383 2.806 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CCOc2cccc(C(=O)O)c2C1 725260792 WSUFEFXMFQHSRW-UHFFFAOYSA-N 293.319 2.514 0 30 CFAC CC(C)(C)OC(=O)NCc1cnccc1Br 95761467 PWHRGDLAHMPPOZ-UHFFFAOYSA-N 287.157 2.869 0 30 CFAC O=C(O)Cc1c(Br)[nH]c2ccccc12 95830725 LAADSTQETUDBPC-UHFFFAOYSA-N 254.083 2.558 0 30 CFAC CCCN(CCC)CCc1c[nH]c2ccc(C(N)=O)cc12 2539820 DPXOFRGRKPFZOD-UHFFFAOYSA-N 287.407 2.931 0 30 CFAC in-vitro O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCNC1 19410627 YQKBUAMDLNVLOZ-VIFPVBQESA-N 288.269 2.523 0 30 CFAC FC(F)(F)c1ccc(N2CCNCC2)cc1Cl 71624379 IFMFEHFWMSDRSP-UHFFFAOYSA-N 264.678 2.768 0 30 CFAC COC(=O)COc1cc(OCC=C(C)C)ccc1C(C)=O 96675173 ABKDWPQBVJIFLQ-UHFFFAOYSA-N 292.331 2.786 0 30 CFAC Cc1nc2cc(Cl)ccc2c(=O)n1-c1cccnc1 67797 QAXGAAJFOYTLFT-UHFFFAOYSA-N 271.707 2.743 0 30 CFAC NCCN[C@H](c1ccccc1)c1ccc(Cl)cc1 19368760 SDIDMUGFQCMLAB-OAHLLOKOSA-N 260.768 2.978 0 30 CFAC CCOc1ccccc1NC(=O)OCCN(CC)CC 2016999 XZPXFWTZWWUZAQ-UHFFFAOYSA-N 280.368 2.976 0 30 CFAC COC(=O)CCNc1cccc(OC(F)(F)F)c1 36671249 MFTWNLLMIDBSCZ-UHFFFAOYSA-N 263.215 2.560 0 30 CFAC in-vitro Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccncc1 67792 NAWKWCZOFSMSQT-UHFFFAOYSA-N 271.707 2.743 0 30 CFAC COC(=O)Cc1nc(-c2ccc(F)cc2)sc1C 111201 BTPCJIZSEFVNPM-UHFFFAOYSA-N 265.309 2.973 0 30 CFAC CCOC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 309624591 CFMAPIDXSOYUER-INIZCTEOSA-N 291.347 2.598 0 30 CFAC CCOc1ccc(P(=O)(OCC)OCC)cc1 96395114 FUBWDNCPMZRZDP-UHFFFAOYSA-N 258.254 2.977 0 30 CFAC CCCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1 17720267 AKABJSBHFQNTKC-UHFFFAOYSA-N 269.348 2.737 0 30 CFAC CCCCCCCC1=NCCN1CCOC[C@H](C)C(=O)O 100297047 VLNZLXQGDKFPBT-AWEZNQCLSA-N 298.427 2.798 0 30 CFAC COCCNc1ncc(Cl)cc1Br 15042827 DEVOCOKIOCAULV-UHFFFAOYSA-N 265.538 2.556 0 30 CFAC NC(=O)[C@@H]1CCC[C@H]2c3cc(Cl)ccc3N[C@H]21 40764124 NYORQUCSPQVLTE-YGOYTEALSA-N 250.729 2.503 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(F)cc2F)C1 71652500 FHHDVDIBQWRTQV-CYBMUJFWSA-N 298.333 2.846 0 30 CFAC CCO[P@@](N)(=O)Oc1ccccc1C(=O)OC(C)C 34141299 UTWLXZREXZOYNV-LJQANCHMSA-N 287.252 2.734 0 30 CFAC CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)O)ccc2C1 113646376 OVQFGIGAFBTYGP-ZDUSSCGKSA-N 291.347 2.767 0 30 CFAC O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 334163840 MOMXYXDBGADMFD-MGPQQGTHSA-N 289.331 2.508 0 30 CFAC O=S(=O)(Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1O 74652 VYXJJRMZUCWARE-CHWSQXEVSA-N 288.796 2.558 0 30 CFAC COc1ncccc1C(=O)Nc1ccccc1Cl 96112 YSFDXTVBAUSFLQ-UHFFFAOYSA-N 262.696 2.996 0 30 CFAC O=C(NCc1cccs1)c1cc(F)cc2c1OCOC2 4389228 HNSPWZAFUMUETJ-UHFFFAOYSA-N 293.319 2.684 0 30 CFAC CC(C)C(=O)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 109 YWDWYOALXURQPZ-ZDUSSCGKSA-N 289.404 2.741 0 30 CFAC in-man O=C1CS[C@@H](c2ccncc2)N1Cc1ccc(F)cc1 103910 GBIIXXDYBMEATJ-HNNXBMFYSA-N 288.347 2.995 0 30 CFAC CC(C)(C)OC(=O)N1CCC(=O)CC12CCCC2 211321751 NGUWEMOTUVJIMJ-UHFFFAOYSA-N 253.342 2.899 0 30 CFAC FC(F)(F)CN(CC(F)(F)F)C(=S)S 5112816 WPMVTNXZTFLSJU-UHFFFAOYSA-N 257.224 2.628 0 30 CFAC CC(=O)O[C@@H]1C[C@H]2CC[C@@H]([C@H]1Cc1ccccc1)N2C 257501944 OGPKDZFHCUWZQQ-WCXIOVBPSA-N 273.376 2.644 0 30 CFAC Nc1nc2cccc(Br)c2nc1Cl 222216481 LJGYQVAMQWRZJN-UHFFFAOYSA-N 258.506 2.628 0 30 CFAC CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 134772 DNCXJSZVBINICS-CYBMUJFWSA-N 267.394 2.806 0 30 CFAC O=C(O)[C@@H](O)c1cc(Cl)c(Cl)cc1Cl 6091070 MSFLMFCJMMEJHO-ZETCQYMHSA-N 255.484 2.765 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1[C@@H]2C(F)(F)F 306590241 UZKCQCJKIGOIRS-XLPZGREQSA-N 251.248 2.804 0 30 CFAC Brc1cnc2nc(-c3ccccn3)[nH]c2c1 32750810 CLEWWDWKDXOTTG-UHFFFAOYSA-N 275.109 2.782 0 30 CFAC O=C(O)c1cc2cc(Br)cc([N+](=O)[O-])c2o1 117702142 MCDXSWCYMHBYDU-UHFFFAOYSA-N 286.037 2.802 0 30 CFAC CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1N(C)C 1268 WDEFBBTXULIOBB-DOTOQJQBSA-N 273.376 2.768 0 30 CFAC biogenic,in-man COc1cc(Cl)cc2c(=O)nc(C(F)(F)F)[nH]c12 45817679 QEXMNJFOQCGHEY-UHFFFAOYSA-N 278.617 2.604 0 30 CFAC CNCc1cc(Br)c(Br)o1 47843892 IRVFJNNPAZHTHM-UHFFFAOYSA-N 268.936 2.524 0 30 CFAC in-vitro Cc1ccc(C(=O)C2=NNC[C@H]2c2ccccc2)cc1 162283 BXKYGDOINXGPNI-HNNXBMFYSA-N 264.328 2.921 0 30 CFAC O=c1cc(Nc2cccc(C(F)(F)F)c2)nc[nH]1 8637126 FWEOEFJTRFHOOJ-UHFFFAOYSA-N 255.199 2.532 0 30 CFAC C[C@@H](N)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 238402678 DTKPKZJZDMQSQF-PWSUYJOCSA-N 250.342 2.600 0 30 CFAC Fc1ccc(-c2cc3n(n2)CC(F)(F)CO3)cc1 141625104 LHRGSJDDVJUIAE-UHFFFAOYSA-N 254.211 2.717 0 30 CFAC CN(C)c1cccc([C@H]2C(=O)Nc3ccc(F)cc32)c1 238790547 FODWRTXJQCZXMS-OAHLLOKOSA-N 270.307 2.976 0 30 CFAC O=c1onc(-c2cccnc2)n1-c1ccccc1Cl 78238 INDKQISBBSTQFP-UHFFFAOYSA-N 273.679 2.541 0 30 CFAC CC(C)(C)OC(=O)N[C@]1(c2cccc(F)c2)CCNC1 958692085 MCHACKJXVNWYPF-OAHLLOKOSA-N 280.343 2.539 0 30 CFAC OCc1cc(OC(F)F)ccc1Br 128860891 KDFBRFVSGDNGNI-UHFFFAOYSA-N 253.042 2.543 0 30 CFAC Cn1cc(C(=O)O)c(=O)c(-c2cccc(C(F)(F)F)c2)c1 31515434 BXIRTBRYEAQDFM-UHFFFAOYSA-N 297.232 2.769 0 30 CFAC O=C1C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21 85367 NJSMBEUZSLKMHB-OAHLLOKOSA-N 272.325 2.788 0 30 CFAC O=C(NCc1ccc2c(c1)CCO2)Nc1ccccc1 113593 WSWLJHBSERHTGL-UHFFFAOYSA-N 268.316 2.943 0 30 CFAC COc1ccc2c(c1)C[C@H](Cc1ccncc1)C2=O 13736292 HKUPXKYZDOQZHE-ZDUSSCGKSA-N 253.301 2.688 0 30 CFAC O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1CCC2 71621800 KZRKCBPELSDOJX-UHFFFAOYSA-N 264.687 2.718 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@]2(CN)CCCC[C@@H]12 725269585 APOAUNNOAJYODG-RISCZKNCSA-N 254.374 2.515 0 30 CFAC CCOC(=O)O[C@H](OCC)C(Cl)(Cl)Cl 5650858 PDKPYZSLHWQFNU-YFKPBYRVSA-N 265.520 2.892 0 30 CFAC CCOC(=O)C(F)(F)c1ncc(Cl)cc1F 1529596391 ZBZHSRGJKCZRJU-UHFFFAOYSA-N 253.607 2.529 0 30 CFAC CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 1857524083 VYKCLMALANGCDF-STQMWFEESA-N 287.411 2.925 0 30 CFAC CCOC(=O)c1c(-c2ccccc2)noc1C(C)=O 3126079 YRPODVVGJWBCIW-UHFFFAOYSA-N 259.261 2.721 0 30 CFAC Cc1ccc(Cc2cc(O)c(C(=O)O)c(O)c2)cc1 33610601 QULOOOAMYKMCTN-UHFFFAOYSA-N 258.273 2.695 0 30 CFAC CN(C)C[C@H]1CCCC[C@@]1(O)OCc1ccccc1 33867435 RZQYCLWPTJRMML-HZPDHXFCSA-N 263.381 2.644 0 30 CFAC O=C(O)c1cc2c(Cl)cc(Cl)cc2nc1C(=O)O 32099477 FFAKSWGJCUWXBY-UHFFFAOYSA-N 286.070 2.938 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](O)c2cccnc2)C1 697168636 CEZHDDGDCPFUQA-ZIAGYGMSSA-N 292.379 2.762 0 30 CFAC COc1ncnc2sc(Br)c(C)c12 98177673 KVHFWPDSQXIKCD-UHFFFAOYSA-N 259.128 2.771 0 30 CFAC CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2CN)CC1 91303626 AQDVZSQSNSXJET-GFCCVEGCSA-N 268.401 2.763 0 30 CFAC CCOC(=O)c1ccc(I)cc1C 117278472 PTNFMBMQCYHNOU-UHFFFAOYSA-N 290.100 2.776 0 30 CFAC Cc1cc(S(=O)(=O)NCC2CC2)c(Cl)cc1Cl 91221 UCAMRXWILQKOIT-UHFFFAOYSA-N 294.203 2.990 0 30 CFAC COc1ccc([C@H](N)c2ccc3c(c2)CCO3)cc1 19971028 PLWPBSTZRDYVCH-INIZCTEOSA-N 255.317 2.678 0 30 CFAC in-vitro C[C@]1(O)[C@@H](O)c2ccccc2O[C@@H]1c1ccccc1 32170478 QKLPRBNNCCTSGT-XHSDSOJGSA-N 256.301 2.605 0 30 CFAC Cc1ccc(Cl)cc1NC(=O)CCCC(=O)O 101383 NVWYCFNBPILZOE-UHFFFAOYSA-N 255.701 2.842 0 30 CFAC COc1cccc(OCc2ccccc2)c1C(=O)O 39225836 BWUUXDQPNHVBLA-UHFFFAOYSA-N 258.273 2.972 0 30 CFAC CCC(=O)OCC(C)(C)[C@@H](OC(=O)CC)C(C)C 5768250 BBXVZOFESFUKEH-ZDUSSCGKSA-N 258.358 2.944 0 30 CFAC O=C(Oc1c(F)c(F)cc(F)c1F)c1ccc(F)nc1 113786795 PXMBERVGUSOWLQ-UHFFFAOYSA-N 289.159 2.996 0 30 CFAC NC[C@@H](OCC(F)(F)F)c1cccc(Cl)c1 43017047 RDWMADJVIJGDQD-SECBINFHSA-N 253.651 2.919 0 30 CFAC C[C@@H]1CCCN[C@@H]1CCCNC(=O)OC(C)(C)C 390822233 YDYPRFSNOQAQDG-VXGBXAGGSA-N 256.390 2.679 0 30 CFAC CS(=O)(=O)NNc1c(Cl)cc(Cl)cc1Cl 1040687 IJZTZOZYPMTGPX-UHFFFAOYSA-N 289.571 2.523 0 30 CFAC Cc1ccc(S(=O)(=O)Oc2cccnc2)c(C)c1F 6500242 OFYOHIZUJBTBJJ-UHFFFAOYSA-N 281.308 2.605 0 30 CFAC COc1cc(O)cc2c1C[C@H](Cc1ccc(O)cc1)CO2 14810978 LSLXDBBMLRLKHS-LBPRGKRZSA-N 286.327 2.900 0 30 CFAC CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(F)(F)F)CC1 95764327 NHPOEZNXKKOGCN-MRVPVSSYSA-N 281.274 2.765 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CCCC[C@H]1C1CCNCC1 96946872 NKZWLJFBMSPDNR-ZDUSSCGKSA-N 268.401 2.776 0 30 CFAC CCOC(=O)[C@@H](CC)C(=O)Oc1c(F)cc(F)cc1F 604934923 ASPFZIBDIGSMFV-MRVPVSSYSA-N 290.237 2.599 0 30 CFAC CC(C)(C)OC(=O)NC[C@H]1CCCC12CCNCC2 96898255 OLNPQYNSOSGNKR-GFCCVEGCSA-N 268.401 2.681 0 30 CFAC CN(C(=O)OC(C)(C)C)c1ccc2o[nH]c(=N)c2c1 396126999 HAEPXBWKRRPSKN-UHFFFAOYSA-N 263.297 2.612 0 30 CFAC CC(C)(O)CC1CCN(C(=O)OC(C)(C)C)CC1 144580244 XYFOCNORIMHJLO-UHFFFAOYSA-N 257.374 2.795 0 30 CFAC CCn1c(O)nc2ccccc2c1=NC(=O)c1cccs1 253498075 JMMBEVHWHAZHIL-UHFFFAOYSA-N 299.355 2.564 0 30 CFAC C[C@H]1O[C@]2(CCCC[C@H]2Oc2cccc(Cl)c2)NC1=O 4213116 PSHBCUHYCLAGPZ-YVLXSGLVSA-N 295.766 2.893 0 30 CFAC in-man CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)O)C1 83643551 WMNIWMKVBYZQNH-GFCCVEGCSA-N 277.320 2.606 0 30 CFAC O=C(O)C(F)(F)CNCc1cc(Cl)sc1Cl 904032260 KTPNTVIKPSFBAJ-UHFFFAOYSA-N 290.118 2.864 0 30 CFAC CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1N(C)C 77055 SUKBEOGRMKFGRB-FLIBITNWSA-N 295.795 2.719 0 30 CFAC CC(=O)Nc1nc2c(C)cc3oc(=O)ccc3c2s1 196519835 AVCULJJFDVMTRT-UHFFFAOYSA-N 274.301 2.670 0 30 CFAC CNC(=S)N(Cc1cccnc1)Cc1cccs1 77028 AFNSMOMTWLXHSF-UHFFFAOYSA-N 277.418 2.650 0 30 CFAC O=C(N[C@@H]1CCCCC[C@H]1O)OCc1ccccc1 130891810 AMGAYIMPQQNONB-ZIAGYGMSSA-N 263.337 2.606 0 30 CFAC Cn1cnc2c(NCc3ccccc3)nc(Cl)nc21 2565814 QNKNBVBQFILDGJ-UHFFFAOYSA-N 273.727 2.629 0 30 CFAC CCCCc1nnc2nc(-c3ccccc3)cnn12 33890832 ULAOAUROMPQUOH-UHFFFAOYSA-N 253.309 2.529 0 30 CFAC CCOC(=O)c1cc(Br)n(-c2ccccc2)n1 72190356 DGEUOJMGDPNODZ-UHFFFAOYSA-N 295.136 2.812 0 30 CFAC Cc1ccc(F)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247946160 WJXDKPWTSGNFDO-DUBDDPSESA-N 289.306 2.596 0 30 CFAC CCC1(CC)COC2(OC1)C(=O)Nc1ccccc12 4371437 RYBWQMREEPSVGH-UHFFFAOYSA-N 261.321 2.645 0 30 CFAC Nc1nc2nccc(C=Cc3ccc(Cl)cc3)n2n1 4041391 QWAYUNOMFDDJDC-UHFFFAOYSA-N 271.711 2.530 0 30 CFAC COc1ccc(CCCC(=O)O)cc1Br 20522300 SSQHYXLUGHLKJJ-UHFFFAOYSA-N 273.126 2.865 0 30 CFAC FC(F)(F)c1ccc2nnc(Br)n2c1 238592924 NIPKJLIEDMZQKJ-UHFFFAOYSA-N 266.020 2.511 0 30 CFAC COC(=O)c1c(CCO)cccc1-c1ccc(F)cc1 142694813 RMMRNHPUWKHGNQ-UHFFFAOYSA-N 274.291 2.814 0 30 CFAC CCC(=O)Nc1cccc(OC(=O)NCC(C)C)c1 1756314 ODFQZUUQCHERDV-UHFFFAOYSA-N 264.325 2.780 0 30 CFAC Cc1nc2c(=O)n(-c3ccc(F)cc3F)nc(C)c2s1 123846 WZGOMLPSNLYGNX-UHFFFAOYSA-N 293.298 2.737 0 30 CFAC CN(C)CCN(Cc1ccsc1)c1ccccn1 2149 RCGYDFVCAAKKNG-UHFFFAOYSA-N 261.394 2.711 0 30 CFAC in-man Cc1sc(N)nc1-c1ccc2c(c1)CCC(=O)N2 11730002 SCXMUOFXTUDMNR-UHFFFAOYSA-N 259.334 2.585 0 30 CFAC in-vitro Cc1c(CO)cccc1Nc1ccccc1C(=O)O 22060859 QBONJEHEDCBRMZ-UHFFFAOYSA-N 257.289 2.929 0 30 CFAC in-vitro Sc1nnc(-c2cscn2)n1-c1ccccc1 136042453 POFBDXZUZPSVSS-UHFFFAOYSA-N 260.347 2.680 0 30 CFAC CC(C)N1CCC(=O)N(c2ccccc2Cl)C1=O 153171 JPZVCOHTDCPRPY-UHFFFAOYSA-N 266.728 2.907 0 30 CFAC C[C@@H]1CCCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 102934278 FDMGLVGIDWLXTC-MROQNXINSA-N 252.427 2.781 0 30 CFAC CC(C)(C)OC(=O)N1O[C@@H]1C(Cl)(Cl)Cl 38294825 RKQBULMPIKTIOE-KKFICBNWSA-N 262.520 2.865 0 30 CFAC CC(=O)N1CCC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 238057241 HANVRKLNBZYTDF-INIZCTEOSA-N 296.411 2.646 0 30 CFAC COC(=O)[C@H](NCC(F)(F)F)c1ccc(F)cc1C 50580248 ABVZCTPSWAQDRY-SNVBAGLBSA-N 279.233 2.500 0 30 CFAC O=C(O)C[C@H]1OCCc2sc(Br)cc21 57218977 INSFFHPIZIBRSG-ZCFIWIBFSA-N 277.139 2.599 0 30 CFAC O=C(OC[C@H]1CC(c2ccccc2)=NO1)c1ccco1 158577 CHQQIBRJBWRXOL-GFCCVEGCSA-N 271.272 2.630 0 30 CFAC C[C@]1(O)[C@H](O)c2ccccc2O[C@@H]1c1ccccc1 32170482 QKLPRBNNCCTSGT-OAGGEKHMSA-N 256.301 2.605 0 30 CFAC CCCc1ccc(C(=O)NC(=O)c2ccccc2O)cc1 157023 SPAOHXQOULUUSP-UHFFFAOYSA-N 283.327 2.915 0 30 CFAC CCOC(=O)CSC(=S)N[C@H](C)c1ccccc1 3131781 SRZCANULMWSFMN-SNVBAGLBSA-N 283.418 2.918 0 30 CFAC CC1(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)CCC1 118728594 ATLGJNSAMLEGKP-VIFPVBQESA-N 257.330 2.545 0 30 CFAC COc1cccc([C@H]([C@@H]2CCCC[C@@H]2O)N(C)C)c1 33507069 YGRVVAVXEZIIDQ-OWCLPIDISA-N 263.381 2.849 0 30 CFAC COC(=O)c1ccc(CSc2ccccc2N)o1 66690 XSDBKYKDKLQXGY-UHFFFAOYSA-N 263.318 2.941 0 30 CFAC O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccncc1 147773 UEZZVENVDPUNAR-UHFFFAOYSA-N 281.290 2.562 0 30 CFAC COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2 13379108 UOFNVZWWIXXTMZ-UHFFFAOYSA-N 258.273 2.986 0 30 CFAC biogenic,in-vitro CCCc1nc(Br)sc1C(=O)O 39370253 CWHXBYKCDWDCKL-UHFFFAOYSA-N 250.117 2.556 0 30 CFAC Ic1ccc2c(c1)CCCN2 20477951 OJOGUQPNKCQMBI-UHFFFAOYSA-N 259.090 2.649 0 30 CFAC O=C1c2ccccc2O[C@@]2(C(=O)Nc3ccccc3)C[C@@H]12 27862557 IQXKCVCVMGJCGV-GUYCJALGSA-N 279.295 2.659 0 30 CFAC Cc1nn(-c2ccc(F)c(Cl)c2)c(=O)c2c(C)noc12 1048026 KYRUGTLXCUFIRB-UHFFFAOYSA-N 293.685 2.783 0 30 CFAC Cc1nn(C)c(C)c1-c1cccc(CCN(C)C)c1 43196680 MFUWRMRKXKCSPL-UHFFFAOYSA-N 257.381 2.808 0 30 CFAC in-vitro O=C1c2ccccc2O[C@@]2(C(=O)Nc3ccccc3)C[C@H]12 100972450 IQXKCVCVMGJCGV-DYVFJYSZSA-N 279.295 2.659 0 30 CFAC CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CC(=O)O 82215497 VNSVBLJYTBVHLR-QWRGUYRKSA-N 271.357 2.744 0 30 CFAC CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1CC(=O)O 210403936 IYXCLGCRDLGRSK-NSHDSACASA-N 277.320 2.828 0 30 CFAC O=C(c1cccc(Br)c1)[C@H]1CCOC1 82456433 JKCDYHQZYZXPIW-VIFPVBQESA-N 255.111 2.668 0 30 CFAC COC(OC)c1nc2ccc(OC(F)(F)F)cc2[nH]1 221287743 PRVNBUYQCKPBDS-UHFFFAOYSA-N 276.214 2.753 0 30 CFAC CCOc1cc(N(CC)CC)c(OCC)cc1N 5114758 ILVYHPABHVLWQB-UHFFFAOYSA-N 252.358 2.912 0 30 CFAC COC(=O)/C=C/CC1CCN(C(=O)OC(C)(C)C)CC1 38879283 MTQBOSAYKRQDRQ-FNORWQNLSA-N 283.368 2.753 0 30 CFAC COC(Cn1c(-c2ccc(C)cc2)n[nH]c1=S)OC 123895 ZBFNCFKZIGQDIT-UHFFFAOYSA-N 279.365 2.535 0 30 CFAC Cc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)no1 70078 PKOSLJNWCQGQBJ-UHFFFAOYSA-N 280.324 2.737 0 30 CFAC Cc1ccccc1-c1noc2ncc(C(=O)O)cc12 71383287 JIUDUNZWOYVAPJ-UHFFFAOYSA-N 254.245 2.896 0 30 CFAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccc(F)cc1 83328594 DBUOURRJXWWVAC-PWSUYJOCSA-N 250.269 2.899 0 30 CFAC Cn1nc(-c2ccccc2Cl)c(CO)c1Cl 223723869 YOOXWXZCMRVQKY-UHFFFAOYSA-N 257.120 2.886 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H](NCC(F)(F)F)C1 43323610 GQPGFEHBGHHVNH-VIFPVBQESA-N 282.306 2.538 0 30 CFAC Brc1cccc2[nH]c3c(c12)CNCC3 257913244 ITBGXNMJAQKEBC-UHFFFAOYSA-N 251.127 2.576 0 30 CFAC CNc1c(N)cnc2ccc(Br)cc12 36812969 QVNIGOMKEYQJHO-UHFFFAOYSA-N 252.115 2.621 0 30 CFAC O=C(Nc1ccc(F)cc1)C(=S)NCc1ccccc1 172886 JKUDRZMJSGMZST-UHFFFAOYSA-N 288.347 2.881 0 30 CFAC CC[C@H](C)OC(=O)CCCCCNC(=O)C(F)(F)F 32237831 HFKVLETUMHBSHC-VIFPVBQESA-N 283.290 2.567 0 30 CFAC O=C1c2ccc(Cl)cc2C[C@H]1C(=O)C(F)(F)F 116936142 ZFNHTWVQIQSXQW-MRVPVSSYSA-N 262.614 2.826 0 30 CFAC N=S1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20443164 UWDKISXHMIEOAG-UHFFFAOYSA-N 297.733 2.954 0 30 CFAC CCc1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1 3070850 RSHQIUJQSSPXSC-UHFFFAOYSA-N 280.327 2.848 0 30 CFAC CC(C)(C)OC(=O)NC1(C(=O)OCc2ccccc2)CC1 147528637 AVPACNKLAMEXRE-UHFFFAOYSA-N 291.347 2.787 0 30 CFAC Cc1ccc(C(=O)c2ccc(OCCN(C)C)cc2O)cc1 33607341 DYHJXWWENNBNOJ-UHFFFAOYSA-N 299.370 2.872 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCCNC1 685945629 RMKRHIQQCLWWJL-ZENOOKHLSA-N 280.412 2.776 0 30 CFAC O[C@@]1(C(F)(F)F)CC(C23CC4CC(CC(C4)C2)C3)=NN1 114765 ITTVZCJNLJMVBL-YXOKVQKXSA-N 288.313 2.803 0 30 CFAC COc1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1 131664 WAUUDXPHCSYDGC-UHFFFAOYSA-N 283.327 2.560 0 30 CFAC CC(C)c1snc2nc(C(C)(C)C)[nH]c(=O)c12 2006863 VDGPSIMLGXDPQE-UHFFFAOYSA-N 251.355 2.801 0 30 CFAC CCN(C(=O)OC(C)(C)C)[C@H](C(N)=S)c1cccnc1 58038203 FNHCGXRECIRFHL-NSHDSACASA-N 295.408 2.666 0 30 CFAC in-vitro Cn1ccc(NC(=O)Nc2ccc(Cl)cc2)n1 80650 IASQZEWVUDVHNO-UHFFFAOYSA-N 250.689 2.718 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@H](O)[C@H]2C1 306251672 ISCNQMDGGSOEQD-RDBSUJKOSA-N 275.348 2.684 0 30 CFAC Nc1c(Cl)ncnc1Oc1ccc(F)cc1F 40428533 YDHYMBFDKIURGE-UHFFFAOYSA-N 257.627 2.783 0 30 CFAC COc1cccc(NC(=O)NC2Cc3ccccc3C2)c1 171398 KUYJWUAWWBCGBI-UHFFFAOYSA-N 282.343 2.984 0 30 CFAC CC(C)(C)OC(=O)N[C@H]1CCNC12CCCCC2 306904267 JSFHTLVYZPBVEF-NSHDSACASA-N 254.374 2.576 0 30 CFAC COc1cc(O)cc2c1C[C@@H](Cc1ccc(O)cc1)CO2 14810979 LSLXDBBMLRLKHS-GFCCVEGCSA-N 286.327 2.900 0 30 CFAC O=C1/C(=C\c2ccccc2)N=C2SCCCCN12 68342 WGVAUFZYVMHVDZ-ZRDIBKRKSA-N 258.346 2.753 0 30 CFAC CCOc1oc(-c2ccccc2)nc1C(=S)NC 95756263 FXZNIHMLKWZBFS-UHFFFAOYSA-N 262.334 2.635 0 30 CFAC C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1C[C@H](O)C2=O 96347524 LQWLXDFIJGWIMM-BQFCYCMXSA-N 282.339 2.915 0 30 CFAC O=C1C[C@H](c2ccccc2)S(=O)(=O)c2ccccc2N1 85018 HGEJEUMWEMVDEN-CQSZACIVSA-N 287.340 2.544 0 30 CFAC O=C(OCc1ccccc1)N1CCC2(CC1)OCCS2 39711906 MPJOOIBCTDRFTI-UHFFFAOYSA-N 293.388 2.879 0 30 CFAC CCCC(Br)(Br)C(=O)OCC 5819686 JUUDRNVCVXZSCI-UHFFFAOYSA-N 287.979 2.836 0 30 CFAC CC[C@@H](C)NC(C)(C)COC(=O)c1ccc(N)cc1 1841832 MKKPOOYOXOSISF-LLVKDONJSA-N 264.369 2.592 0 30 CFAC S=C(NCCc1ccccc1)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234559 HDDQQCARXKPJRF-SOUVJXGZSA-N 272.417 2.658 0 30 CFAC Brc1ccc2c(c1)C1(CC2)OCCCO1 39326118 ADWMRXMGQRSCDB-UHFFFAOYSA-N 269.138 2.985 0 30 CFAC CC1(C)OC(C2OC(C)(C)C(C)(C)O2)OC1(C)C 32157603 HYPIGPGMMNBRNQ-UHFFFAOYSA-N 258.358 2.847 0 30 CFAC Brc1nc2cc3c(cc2s1)OCO3 40543184 JCFFUQXCCQRUPJ-UHFFFAOYSA-N 258.096 2.788 0 30 CFAC O=S1(=O)N=[S@](c2ccccc2)c2ccccc21 12368365 ZFZUNQHNLWAQDD-INIZCTEOSA-N 263.343 2.609 0 30 CFAC CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CC12CCCCC2 2265360053 LTOZWRLGNATHFH-SNVBAGLBSA-N 269.341 2.783 0 30 CFAC CC(C)(C)OC(=O)NCCn1ccc2cccnc21 526059789 FNSJGDDPCUCIMS-UHFFFAOYSA-N 261.325 2.561 0 30 CFAC C[C@](O)(COc1ccccc1)NCc1ccccc1 309745007 TZROMNDVUPWEQN-INIZCTEOSA-N 257.333 2.564 0 30 CFAC CCOC(=O)[C@H](C=O)c1ccc(Cl)cc1Cl 138708316 IJZKCILNHAJBBL-SECBINFHSA-N 261.104 2.839 0 30 CFAC CN(C)C=C1CCN(c2ccc(Br)cc2)C1=O 8663821 VKLDBXYJUHZEOG-UHFFFAOYSA-N 295.180 2.631 0 30 CFAC CCc1c(C(=O)O)cnn1-c1ccc(Cl)cc1 20082234 IZYVXHFFMVERIR-UHFFFAOYSA-N 250.685 2.786 0 30 CFAC in-vitro CC1=CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 103426 ULHSXWIYINWWCK-UHFFFAOYSA-N 256.088 2.813 0 30 CFAC O=C(NCC1(C(=O)O)CCCCC1)OCc1ccccc1 102300188 WLRYZVGUTUVQEF-UHFFFAOYSA-N 291.347 2.948 0 30 CFAC CC1(NC(=O)OCc2ccccc2)CCC(=O)CC1 149156799 OXZPOHISTYUMPZ-UHFFFAOYSA-N 261.321 2.815 0 30 CFAC COC(=O)c1nc2cc(Cl)c3cccnc3c2o1 2015 ZCRBUWNCWCWRGL-UHFFFAOYSA-N 262.652 2.816 0 30 CFAC in-man CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=S)c1cccnc1 58038212 FNHCGXRECIRFHL-LLVKDONJSA-N 295.408 2.666 0 30 CFAC in-vitro CCOc1ccc(NC(=S)NNC(C)(C)C)cc1 99314 KSNZPJSGDMEROS-UHFFFAOYSA-N 267.398 2.675 0 30 CFAC COC(=O)c1c(SCc2ccccc2)n[nH]c1C 95883493 BZXKDGKEKUGNIU-UHFFFAOYSA-N 262.334 2.797 0 30 CFAC CCC(CC)NC[C@@H](C)OC(=O)c1ccc(N)cc1 1855295 MHZZUEJIMXLOJJ-LLVKDONJSA-N 264.369 2.592 0 30 CFAC Cc1csc2ncnc(N3C[C@@H](C)O[C@H](C)C3)c12 82569 FSQNVOAXKORLCC-NXEZZACHSA-N 263.366 2.613 0 30 CFAC Cc1cc(C)n(-c2ccc(N3CCC(C)CC3)nn2)n1 91406 CCSTXFRCLDDOEE-UHFFFAOYSA-N 271.368 2.515 0 30 CFAC CC(C)(C)OC(=O)N1CC(c2ccc(F)cn2)C1 91353101 LVJXXNZRDHJVBS-UHFFFAOYSA-N 252.289 2.555 0 30 CFAC CN(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1 33607340 CUYGFTGATMGGBU-UHFFFAOYSA-N 285.343 2.564 0 30 CFAC CC(=O)[C@@]1(C)CC(=O)[C@](C)(SCc2ccco2)O1 5167236 GQCBHHWLIWZIIT-OLZOCXBDSA-N 268.334 2.566 0 30 CFAC C[C@H](O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 96282467 RQIRUEDHDVTKPM-LBPRGKRZSA-N 286.375 2.791 0 30 CFAC Cc1cc(SCC2=NNC(=O)C2)c(C)cc1Cl 100251185 WFZBBSATHPPYIJ-UHFFFAOYSA-N 268.769 2.925 0 30 CFAC CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1 127216 JQGSPWCLMMXFCX-UHFFFAOYSA-N 261.228 2.872 0 30 CFAC COc1ccc2cccc(CCN(C(C)=O)C(C)=O)c2c1 142058870 NNGHCTJYAWJHDS-UHFFFAOYSA-N 285.343 2.786 0 30 CFAC Nc1cccc(I)c1C(F)(F)F 238625674 LZNNAYSDYYWMET-UHFFFAOYSA-N 287.022 2.892 0 30 CFAC CS[C@H]1Cc2cc(Br)ccc2C1=O 2265381456 FAQULMVISCHHOD-VIFPVBQESA-N 257.152 2.920 0 30 CFAC NC(=O)Nc1ccc(OC(=O)/C=C/c2ccccc2)cc1 6095586 YVPVJILEKSSIKI-IZZDOVSWSA-N 282.299 2.796 0 30 CFAC CN(CC(=O)O)[C@H](c1ccccc1)c1ccc(F)cc1 106036169 CTOKJTZIUFRMIA-MRXNPFEDSA-N 273.307 2.932 0 30 CFAC O=C(O)c1nc(Br)oc1-c1ccc(F)cc1 219066095 FPDJQMIYJMJSCE-UHFFFAOYSA-N 286.056 2.941 0 30 CFAC Nc1c(Br)cnc2cc(F)cc(F)c12 41702337 WYLQMFNIYXCDCO-UHFFFAOYSA-N 259.053 2.858 0 30 CFAC CN(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1 33607338 XJIAATSRRWEFEX-UHFFFAOYSA-N 299.370 2.954 0 30 CFAC Cc1ccccc1CN1C=C(C(N)=O)[C@@H](C(F)(F)F)CC1 127043 NNVHRESDKVCPFU-ZDUSSCGKSA-N 298.308 2.748 0 30 CFAC CCOC(=O)c1nc(-c2cccc(-n3cccc3)c2)no1 120026 ZNFFNQSMECNOMB-UHFFFAOYSA-N 283.287 2.704 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3c(F)cccc3[C@@H](N)[C@@H]2C1 238110204 LFGCUOHXIIZDSF-MISXGVKJSA-N 292.354 2.790 0 30 CFAC O=C(O)c1cc2sc(N3CCCC3)nc2s1 40176369 SSIJREFNTJCFIQ-UHFFFAOYSA-N 254.336 2.656 0 30 CFAC in-vitro CC1=Cc2cc(Br)ccc2S1(=O)=O 39212186 BOTHUOPKKBBNRR-UHFFFAOYSA-N 259.124 2.597 0 30 CFAC CC(C)(C)OC(=O)N1C(=O)CC[C@@]1(C)C(=O)OC(C)(C)C 115770866 ORKNGPXCDFIMEM-HNNXBMFYSA-N 299.367 2.644 0 30 CFAC C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](N)c1ccccc1 34689341 DRRDGSPXILWLQL-VHDGCEQUSA-N 260.381 2.771 0 30 CFAC O=C(O)C[C@H](C(=O)NCc1ccccc1)C1=CCCCC1 132792 HEEMPGDKBGSFQJ-HNNXBMFYSA-N 287.359 2.894 0 30 CFAC CCOC(=O)[C@@]1(c2ccccc2)CCCN(C)C[C@@H]1C 4626659 BOSULDNQDJLKKL-YOEHRIQHSA-N 275.392 2.849 0 30 CFAC in-man Oc1ccc(I)c2ncccc12 228810945 ZNYIGIDYHDFZNU-UHFFFAOYSA-N 271.057 2.545 0 30 CFAC Nc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 171363 YARYDFCSJSWYGY-UHFFFAOYSA-N 265.238 2.843 0 30 CFAC COc1ccccc1-c1ccnc(C2CCNCC2)n1 222179817 AHCUAURXMFNGTQ-UHFFFAOYSA-N 269.348 2.619 0 30 CFAC CC(=O)SC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95082867 BITFMQSSLMFIJK-LLVKDONJSA-N 273.398 2.913 0 30 CFAC COC(=O)c1cc(O)c(-c2ccc(Cl)cc2)[nH]1 254286843 FMRRZBRLIFTQEF-UHFFFAOYSA-N 251.669 2.827 0 30 CFAC CC(C)(O)c1cccc(C2OCCO2)c1Br 306540133 RHISAPINSONVDH-UHFFFAOYSA-N 287.153 2.722 0 30 CFAC Cc1ccc(Br)c2cc(C(=O)O)[nH]c12 238534176 JRFBAQBNOUOASF-UHFFFAOYSA-N 254.083 2.937 0 30 CFAC COC(=O)c1cncn1[C@@H]1CCCc2ccccc21 34305723 WYJQXMNXIFGNSG-CYBMUJFWSA-N 256.305 2.595 0 30 CFAC NCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 63191099 DJRGHAZJPXFAOR-UHFFFAOYSA-N 296.779 2.600 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CC2(CCCC2)CC[C@H]1CO 675050873 WIKFEIPRXGIMKE-LBPRGKRZSA-N 269.385 2.939 0 30 CFAC CC(C)(C)OC(=O)NC[C@](C)(C(=O)O)c1ccccc1 113230510 ROFUNUKWEOQWPS-HNNXBMFYSA-N 279.336 2.554 0 30 CFAC CN(C)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 82609249 MXXPLUXJHWXFIP-ZDUSSCGKSA-N 264.369 2.814 0 30 CFAC O=C(O)[C@H]1C[C@H]1c1ccc(Br)c(F)c1 72233169 UGCIWWFJQQRKOR-BQBZGAKWSA-N 259.074 2.776 0 30 CFAC O=C(O)c1cccc(-c2cnn(Cc3ccccc3)c2)n1 223728988 KVBPPAQPUKXECN-UHFFFAOYSA-N 279.299 2.692 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)C(=O)O 115115792 OECFJFDCUFUXQV-SNVBAGLBSA-N 271.357 2.887 0 30 CFAC CCCC1(c2cccc(OC)c2)CN(C(=O)CC)C1 5510107 ZDVKSHKJWZEZDJ-UHFFFAOYSA-N 261.365 2.985 0 30 CFAC COc1ccc(-c2ccc3nn(C)cc3c2C(=O)O)cc1 607717031 BFJFODRUVFARRT-UHFFFAOYSA-N 282.299 2.947 0 30 CFAC CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(=O)C(F)(F)F 604973101 LJWTWAVRWNNNCK-YWVKMMECSA-N 252.276 2.941 0 30 CFAC O=C1CS[C@H](c2ccccn2)N1Cc1ccc(F)cc1 103919 AEENMYAWEPBORS-OAHLLOKOSA-N 288.347 2.995 0 30 CFAC O=C(COc1ccccc1)Nc1cccc(F)c1C(=O)O 166418 MKNXWHPIWWLAKN-UHFFFAOYSA-N 289.262 2.541 0 30 CFAC CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nccs2)C1 95087089 WXPVXYXROYMGMZ-SNVBAGLBSA-N 283.397 2.637 0 30 CFAC CCC(=O)O[C@]1(c2cccc(OC)c2)CCN(C)[C@@H]1C 33864868 MSOHVPSPIRBWAL-MLGOLLRUSA-N 277.364 2.568 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)CC1=O 115689369 MROCKLUQRRDBJK-SSDOTTSWSA-N 267.247 2.722 0 30 CFAC CC(=O)c1sccc1N1C(=O)c2ccccc2C1=O 82093 WFJVRDFDRURWBK-UHFFFAOYSA-N 271.297 2.751 0 30 CFAC Cc1cc(NC(=O)Nc2cc(F)ccc2C)n(C)n1 148101 UVBFLJOLCLLFSM-UHFFFAOYSA-N 262.288 2.820 0 30 CFAC CC(C)(C)NNC(=S)Nc1cccc(Cl)c1 99621 KKFGVVSPMJPTFS-UHFFFAOYSA-N 257.790 2.930 0 30 CFAC CC(C)(C)[C@H](O)[C@@H](CCOc1ccccc1)n1cncn1 5354057 KECDDIBOVKGAEU-HUUCEWRRSA-N 289.379 2.695 0 30 CFAC COc1ccc(C(=O)n2ccc(-c3oc(C)nc3C)n2)cc1 107498 YRNJIWFWNHBPGB-UHFFFAOYSA-N 297.314 2.852 0 30 CFAC COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(C(C)C)cc1 81302 CMTDZKCESKVIQO-AWEZNQCLSA-N 287.359 2.861 0 30 CFAC CCCC1=NNC(=O)[C@@H]1Cc1c(F)cccc1Cl 100397400 NVORLSBNYGZEHP-SECBINFHSA-N 268.719 2.924 0 30 CFAC COC(=O)[C@H]1CCNc2ccc(Br)cc21 84802813 DCQXYNDRHYFYQX-QMMMGPOBSA-N 270.126 2.521 0 30 CFAC CN1N=C(c2coc3ccccc23)C[C@@]1(O)C(F)(F)F 114981 NEFXHOWZDFVIKM-GFCCVEGCSA-N 284.237 2.723 0 30 CFAC CNC(=S)[C@]1(c2cccc(C)n2)CCCS1 3649833 JRVSNBBSEDNJQG-GFCCVEGCSA-N 252.408 2.659 0 30 CFAC in-man Brc1ccc2c(c1)C1(CCC1)CNC2 211572105 KUYLCUQQMJBGQH-UHFFFAOYSA-N 252.155 2.974 0 30 CFAC CCOC(=O)C(C(=O)OCC)c1c(C)cc(C)cc1C 96102474 AGTVMGCSLLAKLJ-UHFFFAOYSA-N 278.348 2.822 0 30 CFAC CN1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Br)cc12 234313601 GICNQMXVAOHYHV-JOYOIKCWSA-N 297.152 2.644 0 30 CFAC COC(=O)c1c(NC(=O)C(C)(C)C)csc1C 82679 DCSYNYJKSKMQAK-UHFFFAOYSA-N 255.339 2.828 0 30 CFAC O=C(Nc1ccc(Br)nc1)C1CCC1 39711886 KFXKOPHDHCVVJE-UHFFFAOYSA-N 255.115 2.583 0 30 CFAC CCOC(=O)CCc1cc(Br)ccc1OC 90471150 MHJANCNIZBZAMG-UHFFFAOYSA-N 287.153 2.953 0 30 CFAC O=C(C=Cc1ccc2c(c1)OCO2)NCc1ccc(F)cc1 2265239515 GIJOKCZHCTWLSS-UHFFFAOYSA-N 299.301 2.884 0 30 CFAC CC[C@@H](CO)N[C@@H](C)c1ccccc1Br 20195078 BTQDVWIEXHFBCH-UWVGGRQHSA-N 272.186 2.871 0 30 CFAC CN(C(=O)OCc1ccccc1)[C@H]1CCCC(=O)C1 306290924 QMMZNQRVJGTLEH-ZDUSSCGKSA-N 261.321 2.767 0 30 CFAC O=C(Nc1ccccc1Br)C(F)F 217592799 LGHPLQRVWKCGPQ-UHFFFAOYSA-N 250.042 2.653 0 30 CFAC COCCc1cnc(NC(=O)OC(C)(C)C)s1 757120283 HNOSXZCIVDSPNA-UHFFFAOYSA-N 258.343 2.679 0 30 CFAC Cn1cc(I)c2ccccc21 39310562 XGOPNOIIRMKMJR-UHFFFAOYSA-N 257.074 2.783 0 30 CFAC Cc1noc(C)c1NC(=O)Nc1ccc2nsnc2c1 12340886 WHKXTSBEFRUKPR-UHFFFAOYSA-N 289.320 2.940 0 30 CFAC Cc1cccc(C)c1NC(=O)CCN1C[C@@H](C)O[C@H](C)C1 20458504 QMSHNUMEWJZVDT-HUUCEWRRSA-N 290.407 2.741 0 30 CFAC COC(=O)c1sc(Br)nc1C1CC1 238369390 OCOQUKFHRRACTP-UHFFFAOYSA-N 262.128 2.570 0 30 CFAC COC(=O)c1nsc2c(Br)cccc12 150022856 IWNHQDQHFLYJLO-UHFFFAOYSA-N 272.123 2.845 0 30 CFAC COc1ccc(-c2nnc(Br)o2)cc1 71576357 OXBLGMQKKFGHTI-UHFFFAOYSA-N 255.071 2.508 0 30 CFAC CC(C)(C)c1ccccc1NC(=O)C1CCNCC1 37015968 WDSWREUCYVHXRO-UHFFFAOYSA-N 260.381 2.922 0 30 CFAC Cc1ccc(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)nc1 152771 OGKSPHPRUHAPHE-AWEZNQCLSA-N 298.342 2.977 0 30 CFAC CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2 100244150 BXNRARWHAFNOJQ-RYUDHWBXSA-N 295.333 2.712 0 30 CFAC Cc1cc(OCc2ccccc2)cc(C)c1[C@H](N)C(=O)O 44601770 YMXVTZHXEVLAMH-INIZCTEOSA-N 285.343 2.967 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H](NCC(F)(F)F)C1 43323611 GQPGFEHBGHHVNH-SECBINFHSA-N 282.306 2.538 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](O)CC[C@H]21 76695955 ZHKMOSFUKMJOEU-GRYCIOLGSA-N 255.358 2.547 0 30 CFAC NC(=O)c1ccc(OCc2ccccc2)c2cc[nH]c12 49582193 LKTZZIKQNOLBOM-UHFFFAOYSA-N 266.300 2.846 0 30 CFAC COc1ccc2c(c1)OC[C@@H](NC(=O)OC(C)(C)C)C2 223760399 VHGNQDPCBIXKPB-NSHDSACASA-N 279.336 2.523 0 30 CFAC COc1ccc(-c2cc(CC(=O)O)cc(NC(C)=O)c2)cc1 27526855 KYXVPXHHLDZSDH-UHFFFAOYSA-N 299.326 2.948 0 30 CFAC CC(C)(C)OC(=O)N1CCC2(CCCCCN2)CC1 59099628 VSJWWDPOYZGRAV-UHFFFAOYSA-N 268.401 2.920 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@@H](c2c(F)cccc2F)C1 95642322 MGDSEVMUJDNAAB-GFCCVEGCSA-N 298.333 2.846 0 30 CFAC O=C1CCN(C(=O)OCc2ccccc2)C2(CCC2)C1 306499579 JXWIBELPDMPXBO-UHFFFAOYSA-N 273.332 2.911 0 30 CFAC CC(=O)[C@@]1(C)CC(=O)[C@@](C)(SCc2ccco2)O1 5167233 GQCBHHWLIWZIIT-CHWSQXEVSA-N 268.334 2.566 0 30 CFAC Cc1c(Cl)cncc1I 96034628 MUMQQVGYRVAMIV-UHFFFAOYSA-N 253.470 2.648 0 30 CFAC in-vitro CCOC(=O)/C=C/[C@H]1CCCCN1C(=O)OC(C)(C)C 71609723 LSVNHQKKSIBYCM-BZYZDCJZSA-N 283.368 2.895 0 30 CFAC Cc1nn(-c2ccc(Cl)cc2)c(=O)c2c(C)noc12 123796 LDSXGPUFFHUYRE-UHFFFAOYSA-N 275.695 2.644 0 30 CFAC C[C@@H](Oc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)O 526913739 TYAIMDOXBIVIIY-SECBINFHSA-N 281.308 2.886 0 30 CFAC COCc1cc(=O)[nH]c(Cc2c(Cl)cccc2Cl)n1 13469395 IVNCIGVWBKBPAQ-UHFFFAOYSA-N 299.157 2.814 0 30 CFAC O[C@@]1(c2ccccc2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C(F)(F)[C@@H]2[C@H]4[C@@H]3[C@H]21 252428745 YEEPAVCGRNCSTQ-QUVVAIIQSA-N 274.310 2.897 0 30 CFAC COc1cc2oc(=O)ccc2cc1[C@H](O)CC(C)C 32236518 ZRXJDVGAMZQYJX-GFCCVEGCSA-N 262.305 2.881 0 30 CFAC CC(C)COC(=O)/C=C\C(=O)OC1CCCCC1 104799500 CNKATKALHSIDQP-HJWRWDBZSA-N 254.326 2.618 0 30 CFAC Cc1noc(C)c1NC(=O)NC1Cc2ccccc2C1 1034924 IUFORKRZKGSWJN-UHFFFAOYSA-N 271.320 2.580 0 30 CFAC CC(C)(C)NC(=S)NNc1c(Cl)cncc1Cl 75961 OXINMNRUFGCGLK-UHFFFAOYSA-N 293.223 2.978 0 30 CFAC Cn1nc(C(=O)O)cc1-c1ccc(C(F)(F)F)cc1 258439236 HKNJLRIFCIIMOU-UHFFFAOYSA-N 270.210 2.804 0 30 CFAC CCOC(=O)c1ccccc1NC(=O)c1ccccc1O 5650702 IFSMESGPJPDOED-UHFFFAOYSA-N 285.299 2.821 0 30 CFAC CC(C)(C)OC(=O)N[C@H](CCO)c1cccc(F)c1 16697254 LCOYRNJYKWKOHA-GFCCVEGCSA-N 269.316 2.774 0 30 CFAC Cc1ccc(C(=O)c2c(N)sc3c2CCOC3)cc1 95348282 JEXLMJZPIFTEMP-UHFFFAOYSA-N 273.357 2.942 0 30 CFAC in-vitro CCCOc1cc(C(=O)OCCN(CC)CC)ccc1N 2020860 IWDIDGOFDRADNJ-UHFFFAOYSA-N 294.395 2.556 0 30 CFAC CC(C)(C)OC(=O)NC[C@@H]1CNc2ccc(F)cc2C1 84805818 KUMMTDDXNNNQPQ-JTQLQIEISA-N 280.343 2.935 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@]2(CN)CCCC[C@H]12 725269584 APOAUNNOAJYODG-FZMZJTMJSA-N 254.374 2.515 0 30 CFAC CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 720709500 QQDCGEIVGQWMKY-DTWKUNHWSA-N 281.274 2.621 0 30 CFAC COc1ccc(-c2ncccn2)cc1Br 82572442 SVSPYOXHQSSXCC-UHFFFAOYSA-N 265.110 2.915 0 30 CFAC Cn1nccc1NC(=O)Nc1cccc(Cl)c1 116624 WBLAHBMTWKXFAB-UHFFFAOYSA-N 250.689 2.718 0 30 CFAC Cc1nc(C(=N)NC(=O)c2ccc(Cl)cc2)cs1 20230220 MPLICPMKKJXEGP-UHFFFAOYSA-N 279.752 2.860 0 30 CFAC CC(C)(C)OC(=O)N(CC(F)(F)F)C1CCNCC1 36286290 OVVUMIIPNDZLAN-UHFFFAOYSA-N 282.306 2.538 0 30 CFAC CCOC(=O)c1ccc(C(=S)N2CCCC2)cc1 133116 SPRCHGQNEBTYGT-UHFFFAOYSA-N 263.362 2.635 0 30 CFAC OCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1 95630418 YJWRKAAPSNPJHP-UHFFFAOYSA-N 254.211 2.655 0 30 CFAC COc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1N 95616819 BDXQJHABICGAPP-UHFFFAOYSA-N 289.175 2.590 0 30 CFAC O=C(O)CCCNC(=O)CCCC[C@H]1CCSS1 2001329 PZSMUPGANZGPBF-JTQLQIEISA-N 291.438 2.682 0 30 CFAC NCc1coc(-c2ccc(Br)cc2)n1 82556181 NLPRVNFOBHGKFT-UHFFFAOYSA-N 253.099 2.563 0 30 CFAC CCOc1ccc(C=C2SC(=O)N(C)C2=O)cc1 2265279475 NHBLXLYXBUAGJF-UHFFFAOYSA-N 263.318 2.751 0 30 CFAC Cc1cccc(NC(=O)c2ccc(Cl)cc2N)n1 92874 NQKOODHARXIYOB-UHFFFAOYSA-N 261.712 2.878 0 30 CFAC CC(C)N[C@@H](Oc1csc2ccccc12)[C@H](C)O 199887490 TZRNEEFZMYUKED-HZMBPMFUSA-N 265.378 2.985 0 30 CFAC CCOC(=O)[C@H]1CN1C(=O)Nc1cccc2ccccc12 5650672 AKJCWKLUZKLVNN-IKJXHCRLSA-N 284.315 2.619 0 30 CFAC CCCc1c(N)ccc2c(=O)cc(C(=O)OCC)oc12 133045 KMGOZYUDCZKQGE-UHFFFAOYSA-N 275.304 2.504 0 30 CFAC CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(Cl)n1 98209727 PRKFPUCFMGIJMN-ONGXEEELSA-N 255.749 2.746 0 30 CFAC O=C1CS[C@@H](c2ccccn2)N1Cc1ccc(F)cc1 103915 AEENMYAWEPBORS-HNNXBMFYSA-N 288.347 2.995 0 30 CFAC O=c1c(Cl)cc(Br)cn1C(F)F 238856634 WRDYMDCPCPHWFN-UHFFFAOYSA-N 258.449 2.659 0 30 CFAC COC(=O)[C@]1(c2ccccc2)CCCN(C)[C@@H](C)C1 33852228 RAAFYFKWMRWOIT-XJKSGUPXSA-N 261.365 2.602 0 30 CFAC in-man Cc1ncn2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12 169575 PLDLKWSMPZBYOJ-UHFFFAOYSA-N 259.696 2.651 0 30 CFAC O=C(O)CCNC(=S)Nc1cc(Cl)ccc1Cl 3086658 WRIBKYDGNZAYAC-UHFFFAOYSA-N 293.175 2.755 0 30 CFAC Cc1ccc2cc([C@H](O)COCCN(C)C)ccc2c1 33898877 RHZDBRUJAHXJKZ-QGZVFWFLSA-N 273.376 2.760 0 30 CFAC COc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 198415316 UBLNXNMKBFDVMO-UHFFFAOYSA-N 252.273 2.803 0 30 CFAC CCCCCCCCC1=NCCN1CCOCCC(=O)O 100299255 GTOUXEVZWXDTJR-UHFFFAOYSA-N 298.427 2.942 0 30 CFAC O=C1CS[C@H](c2cccnc2)N1c1ccccc1 99436 UITXVOXYPYEUFH-CQSZACIVSA-N 256.330 2.860 0 30 CFAC CCC(=O)NCc1csc(-c2cccs2)n1 131571 IEZAFYITDHKIGX-UHFFFAOYSA-N 252.364 2.898 0 30 CFAC O=c1cc(-n2ccc(C(F)(F)F)n2)oc2ccccc12 171438 KIWPWBHVELRJSP-UHFFFAOYSA-N 280.205 2.998 0 30 CFAC CC(=O)OC1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C 38600312 QWPDTHGNPYQOPY-XYPWUTKMSA-N 259.349 2.702 0 30 CFAC CC(C)(C)OC(=O)[C@@]1(C)CC[C@@H](C(=O)O)C1(C)C 138034837 BBWRIYPVWGWPSD-LKFCYVNXSA-N 256.342 2.855 0 30 CFAC Cc1cc(C)c2cc(C(=O)N(C)C3CCN(C)CC3)[nH]c2c1 153730 SBBBLMHEVHNDDL-UHFFFAOYSA-N 299.418 2.951 0 30 CFAC CCCCCC[C@H]([C@@H](C)O)n1cnc2cncnc21 26672556 ZTSORWGHRMIOHU-DGCLKSJQSA-N 262.357 2.719 0 30 CFAC CCCCCCCCCCCCOC(=O)[C@@H](N)CO 212206827 ALECQBSCXXODGP-AWEZNQCLSA-N 273.417 2.770 0 30 CFAC CN1CCC(=O)C[C@@H]1c1ccccc1Br 84170639 SUYFTJKIZSAYLD-GFCCVEGCSA-N 268.154 2.785 0 30 CFAC COC(=O)c1ccsc1-c1cccc(C(=O)O)c1 90513631 BCEXOEQMCXJREV-UHFFFAOYSA-N 262.286 2.900 0 30 CFAC COC(=O)c1c(C=O)noc1-c1ccccc1Cl 45817309 PGJUQKCAPPQDQC-UHFFFAOYSA-N 265.652 2.594 0 30 CFAC CC(C)C[C@@](C)(CN)NC(=O)c1cc(Cl)c(Cl)[nH]1 122075053 PRDKEVSIODSPDR-LBPRGKRZSA-N 292.210 2.815 0 30 CFAC O=C(O)C1(c2ccc(F)c(Br)c2F)CC1 218730677 SOKAMKLAOHFUPZ-UHFFFAOYSA-N 277.064 2.844 0 30 CFAC N[C@@H]1CCCc2cc(I)ccc21 238606606 AEVPYANNBCRPQN-SNVBAGLBSA-N 273.117 2.627 0 30 CFAC Cc1ccccc1C(=O)NCc1ccc2c(c1)CCO2 4390689 UJEVWRSWPSIVOW-UHFFFAOYSA-N 267.328 2.860 0 30 CFAC COc1cccc([C@@H]2CNCCN2C(=O)OC(C)(C)C)c1 95642316 AXKHIQYXWCIOCE-AWEZNQCLSA-N 292.379 2.577 0 30 CFAC NC1CCC(CC2CCC(NC(=O)O)CC2)CC1 31308844 NAXYKJVXULDOFW-UHFFFAOYSA-N 254.374 2.720 0 30 CFAC O=C(O)c1ccc(C(F)(F)F)nc1NCC(F)(F)F 94337799 VWPVEMDXWFZCHL-UHFFFAOYSA-N 288.147 2.773 0 30 CFAC CC(C)(C)OC(=O)NC1CCN(c2ccncc2)CC1 90636346 AUFRDMQSECOCAZ-UHFFFAOYSA-N 277.368 2.575 0 30 CFAC Cc1ccsc1CNC(=O)c1ccccc1C(=O)O 147815 LYSDXYOLVFHZAV-UHFFFAOYSA-N 275.329 2.685 0 30 CFAC CC(C)(C)OC(=O)N1CCC([C@H]2CCCNC2)CC1 79065904 LCONZSJOQNGGPV-ZDUSSCGKSA-N 268.401 2.633 0 30 CFAC in-vitro CC(C)Oc1cccc(NC(=O)c2csnn2)c1 106092 OIOPQWHACHPZDI-UHFFFAOYSA-N 263.322 2.578 0 30 CFAC Brc1ccccc1Nc1ncccn1 66102538 HKALOZYOQMUXJO-UHFFFAOYSA-N 250.099 2.983 0 30 CFAC CCCCCCC(=O)[C@H](CC(=O)OCC)C(=O)OCC 37624984 NKNFGGHGGJYCQR-LBPRGKRZSA-N 286.368 2.658 0 30 CFAC O=C1CS[C@@H](c2cccnc2)N1Cc1cccs1 99769 FNJLCUXPWCMWOG-ZDUSSCGKSA-N 276.386 2.917 0 30 CFAC Brc1cc(Br)c2c(c1)CCNC2 307435458 QBYGKWIMERKDSO-UHFFFAOYSA-N 290.986 2.857 0 30 CFAC O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 126974 ILUKUPNXZXRJDB-UHFFFAOYSA-N 281.233 2.750 0 30 CFAC Cc1cc(C(=O)NC2Cc3ccccc3C2)c(C)o1 148108 YZTLPXPUQDBHFH-UHFFFAOYSA-N 255.317 2.794 0 30 CFAC Brc1ccc2c(c1)CC[C@@]1(CCCNC1)O2 72233106 VMCHMHIUYNFYRO-CYBMUJFWSA-N 282.181 2.896 0 30 CFAC NCc1cnc(Cc2ccc(Br)cc2)s1 40996525 BFLAAMYXLQGVEJ-UHFFFAOYSA-N 283.194 2.955 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)CC12CCC2 725350454 WXLJOBDBLUZYQX-SNVBAGLBSA-N 269.341 2.641 0 30 CFAC O=C(N[C@@H]1CCCCC[C@@H]1O)OCc1ccccc1 130891391 AMGAYIMPQQNONB-KGLIPLIRSA-N 263.337 2.606 0 30 CFAC Cc1c(C(=O)O)ccc2c1CCN(C(=O)OC(C)(C)C)C2 238516186 CCLHCJSKBZOJPB-UHFFFAOYSA-N 291.347 2.986 0 30 CFAC NC1=N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N1 154904 JDIPIUIHXUDIOV-KBPBESRZSA-N 299.761 2.551 0 30 CFAC COc1cccc([C@H]([C@H]2CCCC[C@@H]2O)N(C)C)c1 33507075 YGRVVAVXEZIIDQ-HRCADAONSA-N 263.381 2.849 0 30 CFAC Cc1cc(S(=O)(=O)NCC2CC2)c(C)cc1Cl 91209 HVJDFWYHNPTALV-UHFFFAOYSA-N 273.785 2.645 0 30 CFAC Cc1nn(C)c(Cl)c1C=NOC(=O)c1ccccc1 254709743 ASMLWRHPFWHBEA-UHFFFAOYSA-N 277.711 2.573 0 30 CFAC CC1(C)CN[C@H]1c1nccn1COCC[Si](C)(C)C 669371493 AYVRYTOWCIPLHF-LBPRGKRZSA-N 281.476 2.866 0 30 CFAC Nc1ccc(/C=C/c2ccccc2)c(S(=O)(=O)O)c1 5162284 QBHYFEWQILVXEN-VOTSOKGWSA-N 275.329 2.686 0 30 CFAC COC[C@@H](C)NCc1ccc(Br)c(F)c1 91437052 VXLUAZQKBMNRGZ-MRVPVSSYSA-N 276.149 2.713 0 30 CFAC Cc1[nH]c2cccc(Br)c2c1CCN 20269410 WYSQUJVVDHGAEH-UHFFFAOYSA-N 253.143 2.740 0 30 CFAC Cn1nccc1NC(=S)Nc1ccc(Cl)cc1 116365 FZJKBSCSZMZFEX-UHFFFAOYSA-N 266.757 2.882 0 30 CFAC O=C(Cc1ncon1)Nc1cc(Cl)cc(Cl)c1 90595 HABRXNHACSIBAF-UHFFFAOYSA-N 272.091 2.558 0 30 CFAC COc1ccccc1[C@H]1CNCCN1C(=O)OC(C)(C)C 95642313 DZDBNSISWAZDJL-CYBMUJFWSA-N 292.379 2.577 0 30 CFAC c1ccc2c(NCCCN3CCOCC3)cccc2c1 31308271 AFZZFBZPHUDOLV-UHFFFAOYSA-N 270.376 2.974 0 30 CFAC CN(C)C=NNc1ncc(C(F)(F)F)cc1Cl 254818290 DZEVPLVIHMZNKB-UHFFFAOYSA-N 266.654 2.671 0 30 CFAC N#CCSc1nc(SCC#N)c2ccccc2n1 6560707 RNGNRLRHXKXNAH-UHFFFAOYSA-N 272.358 2.861 0 30 CFAC CCCCCCOC[C@H](O)COc1ccccc1C(=O)O 2026577 YTPJKQPMTSNTGI-ZDUSSCGKSA-N 296.363 2.721 0 30 CFAC in-man C[C@@H]1CC[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2C1 102926260 KPXMWMXKALDJRT-WQAKAFBOSA-N 261.296 2.751 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1Cc1ccccc1 96981200 IIMHGRMKNJCCNO-KBPBESRZSA-N 276.380 2.566 0 30 CFAC CCCCCCC1=C[C@H](NC#N)C(C)=C[C@@H]1NC#N 96346876 YGDZVBSMCUIXMN-GJZGRUSLSA-N 258.369 2.722 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H]2c3cccc(F)c3[C@@H](N)[C@H]2C1 687765484 QWMDYOJFSGFBHO-MJVIPROJSA-N 292.354 2.790 0 30 CFAC O=C(CSc1nc(C(F)(F)F)n[nH]1)c1ccccc1 115140 YSAQXFXMPLRBCC-UHFFFAOYSA-N 287.266 2.799 0 30 CFAC Cc1cc(C[C@H](C)N)c(C)cc1I 6069814 XNLVEGLGFMXLAQ-VIFPVBQESA-N 289.160 2.798 0 30 CFAC O=C1OC[C@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1 388657 HVDGDHBAMCBBLR-YOEHRIQHSA-N 298.338 2.672 0 30 CFAC endogenous,in-man Brc1ccc(-c2nnc3ccncc3n2)cc1 223727169 AEICNENUNUSGNL-UHFFFAOYSA-N 287.120 2.849 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3ccccc3[C@@H](N)[C@@H]2C1 238110259 BSSUBMYYRYHUSD-MGPQQGTHSA-N 274.364 2.651 0 30 CFAC N=C1Nc2ccc(Cl)cc2[C@@]1(O)c1ccccc1 94591 AUHPEHFGZROMSA-AWEZNQCLSA-N 258.708 2.979 0 30 CFAC CCCn1c(=O)c2oc(C)cc2n(-c2ccccc2C)c1=O 171238 KLCAOLMAKWOGFY-UHFFFAOYSA-N 298.342 2.772 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)c2cccnc2)C1 697185358 CEZHDDGDCPFUQA-UONOGXRCSA-N 292.379 2.762 0 30 CFAC COc1cccc(-c2csc3nc(C(=O)O)cn23)c1 3748990 DBZAKWYGBMBNJP-UHFFFAOYSA-N 274.301 2.770 0 30 CFAC Cc1nnsc1C(=O)N(Cc1ccccc1)C(C)C 154182 ZENNPRLFFLOUAU-UHFFFAOYSA-N 275.377 2.897 0 30 CFAC NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 63077100 XFISAGSHNUYXMR-UHFFFAOYSA-N 261.243 2.550 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@]2(CN)CCCC[C@H]12 725269586 APOAUNNOAJYODG-SMDDNHRTSA-N 254.374 2.515 0 30 CFAC Nc1ccc(Oc2ccn3ncnc3c2)c(Cl)c1 150161365 YWMQZLYZVLBXMQ-UHFFFAOYSA-N 260.684 2.757 0 30 CFAC O[C@@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23 36457832 KOIGYXJOGRVNIS-IUIKQTSFSA-N 268.360 2.845 0 30 CFAC in-man CC(C)(C)OC(=O)N[C@H]1CCCN(c2nccs2)C1 95087090 WXPVXYXROYMGMZ-JTQLQIEISA-N 283.397 2.637 0 30 CFAC Cc1ccc(Br)c2[nH]c(C(=O)O)cc12 238533193 KXRSXLJJKOJSKJ-UHFFFAOYSA-N 254.083 2.937 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](N)C1 32629289 DWRQZVPMOAKIDV-ZIAGYGMSSA-N 294.370 2.877 0 30 CFAC CC1=CC[C@@H]2C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]2C1 100207658 OVROUVHCPILLMJ-WDEREUQCSA-N 277.270 2.811 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](N)C12CCCCC2 306606562 RSYWVNAMTWCAAZ-LLVKDONJSA-N 254.374 2.657 0 30 CFAC O=C(NN=Cc1coc2ccccc2c1=O)c1ccccc1 15986943 KZWVAKKUDLOWKU-UHFFFAOYSA-N 292.294 2.557 0 30 CFAC COC(=O)CSc1c(Cl)cncc1Cl 75873 JJVXIAZUXJGENE-UHFFFAOYSA-N 252.122 2.654 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3c(F)cccc3[C@H](N)[C@H]2C1 306730559 LFGCUOHXIIZDSF-MJVIPROJSA-N 292.354 2.790 0 30 CFAC CC[Sn](CC)(CC)CCC(=O)O 195769612 IQFTWGDIHXZFTK-UHFFFAOYSA-N 278.968 2.970 0 30 CFAC S=C(NC1CCCCC1)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234621 AUHQTANFKNNRIW-GMXVVIOVSA-N 250.411 2.748 0 30 CFAC CC1(C)CCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)O 261508912 YFOIUAPZSWHCTI-GFCCVEGCSA-N 277.320 2.508 0 30 CFAC COc1ccc(-n2ncc(C(=O)N3CCCCC3)c2C)cc1 152869 LBORFTSHPBTSAE-UHFFFAOYSA-N 299.374 2.815 0 30 CFAC C[C@@H]1CC(Oc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)C1 84950510 MYDZRBJNCOKOEZ-QWRGUYRKSA-N 283.393 2.538 0 30 CFAC CCOC(=O)c1nc(C2CC2)sc1Br 95930196 DBUNWADDTYMNEE-UHFFFAOYSA-N 276.155 2.960 0 30 CFAC CC(C)(C)OC(=O)N1CCC(Cn2cccn2)CC1 113281741 MFOKKJTYDPPBKA-UHFFFAOYSA-N 265.357 2.530 0 30 CFAC C[C@@H](Br)C(=O)C[C@@H](C(=O)O)c1ccccc1 6032444 DNDCKTJRGLMEAR-PSASIEDQSA-N 285.137 2.597 0 30 CFAC COC(=O)CCCCCCCC(=O)Nc1cc(C)on1 3139070 CVWHWCMKZNEKJZ-UHFFFAOYSA-N 282.340 2.825 0 30 CFAC O=C(O)CC1(CC(=O)Nc2cccnc2)CCCCC1 70069 ILGJHEXZJWDJNA-UHFFFAOYSA-N 276.336 2.835 0 30 CFAC O=C(NCC1CCCC1)c1ccc(Br)nc1 85703453 YKLYTEZQZMVZMD-UHFFFAOYSA-N 283.169 2.764 0 30 CFAC CC(C)[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 299805627 YIVJTOBSIHNWKU-AWEZNQCLSA-N 257.374 2.652 0 30 CFAC CC[C@H](C)NC(C)(C)COC(=O)c1ccc(N)cc1 1841835 MKKPOOYOXOSISF-NSHDSACASA-N 264.369 2.592 0 30 CFAC COc1ccccc1O[C@@]1(C)OC(=O)c2ccccc2O1 3780898 PSVDIHULUCLEJE-INIZCTEOSA-N 286.283 2.997 0 30 CFAC world COc1ccc(NC(=O)Nc2ccc3nonc3c2)cc1 171094 LLKILUXXKBMVGS-UHFFFAOYSA-N 284.275 2.875 0 30 CFAC C[Si](C)(C)c1cccc(-c2ccc(CO)cn2)c1 197176825 DFFPIVQMEJONIB-UHFFFAOYSA-N 257.409 2.786 0 30 CFAC NCCc1cc(C(F)(F)F)ccc1Br 44250306 QSCKSYSFRDZEQZ-UHFFFAOYSA-N 268.076 2.969 0 30 CFAC C[C@@H](N)[C@H](C)c1cccc(I)c1 33868234 OJVNHUSKBDNLFH-JGVFFNPUSA-N 275.133 2.742 0 30 CFAC CNC(=O)Oc1c(C(C)C)ccc(C)c1N(C)C 5419773 BVSKMTSQXJSFKQ-UHFFFAOYSA-N 250.342 2.903 0 30 CFAC COC1=C(OC)[C@@]2(F)CC[C@@]1(F)C(F)(F)C2(F)F 137550914 XNAKOFYZUKVXDO-YUMQZZPRSA-N 276.176 2.985 0 30 CFAC CCN(CC)C(=O)COc1nc(Cl)c(Cl)s1 39321502 USKBGZTZMGJXMU-UHFFFAOYSA-N 283.180 2.697 0 30 CFAC CCOP(=O)(OCC)c1ccc(Br)cn1 145848032 WUJLOBZQUKCCNH-UHFFFAOYSA-N 294.085 2.736 0 30 CFAC Cc1ccc(C(=O)c2c(N)sc3c2CCC3)cn1 95883471 DXILSFCZKSGJSW-UHFFFAOYSA-N 258.346 2.753 0 30 CFAC COC(=O)Cc1nc(Nc2ccccc2)sc1C 111203 HAIOHCJEVXNRSA-UHFFFAOYSA-N 262.334 2.911 0 30 CFAC O=C(Nc1ccccc1Cl)O[C@@H]1CN2CCC1CC2 129707 LGTXTMDJPFXCMX-CYBMUJFWSA-N 280.755 2.983 0 30 CFAC CCN1CN=C(SCc2ccccc2Cl)NC1 144727 UPAQKXKYOVHNJW-UHFFFAOYSA-N 269.801 2.769 0 30 CFAC C[C@@H]1CNCCC12CCN(C(=O)OC(C)(C)C)CC2 107782282 ZSHKWSYZEMGOLD-GFCCVEGCSA-N 268.401 2.633 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@@H]1c1csc(N)n1 30678301 FENBXFSBJDNUKQ-SECBINFHSA-N 269.370 2.797 0 30 CFAC Nc1ccc(Br)cc1NC1CCOCC1 83731064 IMTAQHHPHIJGTD-UHFFFAOYSA-N 271.158 2.622 0 30 CFAC COC(=O)c1cc2c(cc1Br)CCC2 521402124 VNKKECNIGLUTQG-UHFFFAOYSA-N 255.111 2.724 0 30 CFAC Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1 173025 GCOPJTAHYUWNES-AWEZNQCLSA-N 269.300 2.551 0 30 CFAC NCCc1cc(Br)c(Br)s1 44396800 GMLWKKSTZWCVTH-UHFFFAOYSA-N 285.004 2.774 0 30 CFAC COc1cc2ccc(=O)oc2c2c1O[C@H](C)C2(C)C 14613604 URXLWURDLTXTCV-MRVPVSSYSA-N 260.289 2.860 0 30 CFAC FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 171338 IBBFTLXZTITAMF-UHFFFAOYSA-N 256.183 2.824 0 30 CFAC CCN(CC)CC(=O)Oc1c(C)cccc1Cl 95787583 MLVMJMOFVRDLGK-UHFFFAOYSA-N 255.745 2.896 0 30 CFAC O=C(c1ccc(Br)s1)[C@@H]1CCOC1 40941889 HNAKQTPZYWWOGC-ZCFIWIBFSA-N 261.140 2.730 0 30 CFAC C[C@@H]1CC[C@@H](C)N1CCCOC(=O)c1ccccc1O 1999276 TVNKQHWRADJSQD-CHWSQXEVSA-N 277.364 2.812 0 30 CFAC in-man O=C(O)/C=C\C(=O)NCc1ccc(-c2cccs2)s1 100381780 CPPSMHJHOJPYOG-WAYWQWQTSA-N 293.369 2.734 0 30 CFAC CSc1nc2ccccc2c(=O)n1-c1cccnc1 74305 BWPCRVDMMBEGDG-UHFFFAOYSA-N 269.329 2.503 0 30 CFAC COc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O 102352 AEEHITGBVHDWGF-UHFFFAOYSA-N 288.690 2.544 0 30 CFAC O=C1CC[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@H]12 144930469 MOKKTXDDVHSSBZ-KGLIPLIRSA-N 273.332 2.624 0 30 CFAC COc1cccc([C@H]([C@H]2CCCC[C@H]2O)N(C)C)c1 150247021 YGRVVAVXEZIIDQ-ARFHVFGLSA-N 263.381 2.849 0 30 CFAC CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)C[C@@H](N)C1 675050551 XVEUBWBIZGQUBY-AKAXFMLLSA-N 276.380 2.570 0 30 CFAC COc1ccc(N2C(=O)C[C@H](c3ccccc3)C2=O)cc1 3149410 GXBRJKNIUHUZNN-OAHLLOKOSA-N 281.311 2.742 0 30 CFAC CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 44137712 AZWYVTAQBOKVTA-UHFFFAOYSA-N 264.369 2.643 0 30 CFAC COC(=O)c1cnn2cccc(OCc3ccccc3)c12 15553 ZHYOJQOJRYGLOD-UHFFFAOYSA-N 282.299 2.700 0 30 CFAC COC(=O)c1nc(C2CC2)c(Br)s1 72192983 RBNZKTFQPSBNCI-UHFFFAOYSA-N 262.128 2.570 0 30 CFAC COc1ccc(Cl)c2c1C(=O)C[C@H](CC(=O)O)S2 6018087 YDUNODYKUBLLTG-ZCFIWIBFSA-N 286.736 2.870 0 30 CFAC CCOCOc1cc(Br)ccc1[C@@H](C)O 230137180 CLMNIOTXJDBKRX-MRVPVSSYSA-N 275.142 2.875 0 30 CFAC CCn1nc(C)c2c1-c1ccccc1[C@]2(O)CCCN(C)C 3604170 YQCRACQDEOQAIW-GOSISDBHSA-N 299.418 2.770 0 30 CFAC CC(=O)/N=c1\on2c(C)cc(C)nc2c1-c1ccccc1 34535714 IZQSVIDLXXVXSV-VLGSPTGOSA-N 281.315 2.658 0 30 CFAC C[C@H]1[C@@H](C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C 260240567 WGILMBITEGFAGY-JOYOIKCWSA-N 277.320 2.998 0 30 CFAC CC(C)(C)OC(=O)N1CCC(Oc2cccc(F)n2)CC1 1226186178 JRYFHYGBWNLZAC-UHFFFAOYSA-N 296.342 2.999 0 30 CFAC O=C(O)CSC1(SCC(=O)O)CCCCCC1 67367 LJUNCRDXUXPNDZ-UHFFFAOYSA-N 278.395 2.673 0 30 CFAC COCC(=O)c1ccc(OC(F)(F)F)c(F)c1 2265385351 MPJZQVDVNPVPHC-UHFFFAOYSA-N 252.163 2.553 0 30 CFAC COC(=O)[C@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 396151832 AYGNLFWZEHRYBL-MLGOLLRUSA-N 297.395 2.977 0 30 CFAC C[C@@H](O)[C@H](NC(=O)c1ccccc1)c1ccccc1 173472 LNPDNDIGGRBFTO-DOMZBBRYSA-N 255.317 2.539 0 30 CFAC CC(C)(C)OC(=O)Nc1c(F)ccc2c1OCO2 137186789 XIMFSTCKVJKVHU-UHFFFAOYSA-N 255.245 2.901 0 30 CFAC c1ccc(CCN2CCC(c3c[nH]cn3)CC2)cc1 95935376 BPJGDQYYWXUQRI-UHFFFAOYSA-N 255.365 2.832 0 30 CFAC CC1(C)Cc2ccccc2[C@@](O)(c2ccccc2)[C@@H]1O 32233380 IQMBJCZXIXPNDO-AEFFLSMTSA-N 268.356 2.866 0 30 CFAC C[C@H]1CCCC[C@H]1C(=O)CNC(=O)OC(C)(C)C 685959534 ZJWDNFVGTBOUOW-WDEREUQCSA-N 255.358 2.907 0 30 CFAC COc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2 263583973 GZFXEDNFTKIKJW-AWEZNQCLSA-N 288.299 2.878 0 30 CFAC O=C(Nc1csc2ccccc12)N1CCOCC1 159363 SJNXSGWJXFRJTR-UHFFFAOYSA-N 262.334 2.765 0 30 CFAC Cc1nc(N2CCC2)c2cc(Br)sc2n1 757490291 BVGSQTXVXSPSFO-UHFFFAOYSA-N 284.182 2.972 0 30 CFAC N[C@@H]1C(=O)Nc2ccc(-c3ccccc3Cl)cc21 536558920 LWADQGRFZHMINN-ZDUSSCGKSA-N 258.708 2.959 0 30 CFAC Cc1ccc(Cc2c(C)nc(N3CCCC3)[nH]c2=O)cc1 17950278 DLLNAERZOFKBRY-UHFFFAOYSA-N 283.375 2.578 0 30 CFAC COc1ccccc1[C@H](N)[C@@H](C)NC(=O)OC(C)(C)C 407060441 GUFIHQIUXBCALK-ZWNOBZJWSA-N 280.368 2.608 0 30 CFAC O=C(Nc1ccc(C(F)(F)F)cc1)N1CCOCC1 101805 QUAOSXWBYLEUOX-UHFFFAOYSA-N 274.242 2.570 0 30 CFAC CC1CCC(NC[C@H](C)OC(=O)c2ccc(N)cc2)CC1 1995985 ZXMQXYDIZIYSAX-UYJPIKCFSA-N 290.407 2.982 0 30 CFAC CC(C)(C)OC(=O)N1Cc2cccc(CC(=O)O)c2C1 219978053 KKVJHNXSAMXSOM-UHFFFAOYSA-N 277.320 2.564 0 30 CFAC O=C1Nc2ccccc2S[C@H]1[C@@H](C(=O)O)c1ccccc1 101579 MLFZVXAQHLMAKF-KBPBESRZSA-N 299.351 2.968 0 30 CFAC CON1CCN(c2cc(Cl)ccc2Cl)C1=O 138715029 PVUJUGBKPHCBDK-UHFFFAOYSA-N 261.108 2.797 0 30 CFAC Cc1ccc(C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O)cc1 196012492 OLIJDVVFIGHTLM-CRWXNKLISA-N 258.317 2.925 0 30 CFAC CC(C)(C)OC(=O)N[C@@H](CCO)c1cccc(F)c1 16697252 LCOYRNJYKWKOHA-LBPRGKRZSA-N 269.316 2.774 0 30 CFAC CC(C)(C)C(=O)OCC1=C[C@@H](O)[C@@H]2C[C@@H]1C2(C)C 100052154 GBMWZXYSDJCJFG-SDDRHHMPSA-N 252.354 2.539 0 30 CFAC O[C@H]1[C@H]2CC[C@@]1(c1cccc(Br)c1)C2 675081221 MQJDXFJZQIGOEF-UWJYBYFXSA-N 253.139 2.862 0 30 CFAC O=C(O)CC(CC(=O)O)c1ccc(C(F)(F)F)cc1 69620 YBNGTQQWDSYSMK-UHFFFAOYSA-N 276.210 2.738 0 30 CFAC CC(C)(C)OC(=O)C[C@H](C(=O)O)C1CCCCC1 96330654 CRJQHOCADLPJFW-NSHDSACASA-N 256.342 2.999 0 30 CFAC Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(N)c1 95616784 PPODXUOOCIBRSV-UHFFFAOYSA-N 273.176 2.889 0 30 CFAC CCc1cc(=O)[nH]c(-c2ccc(F)c(Cl)c2)n1 13468359 UZEJYXUXZSOCPA-UHFFFAOYSA-N 252.676 2.792 0 30 CFAC C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](N)c1ccccc1 34689339 DRRDGSPXILWLQL-SNPRPXQTSA-N 260.381 2.771 0 30 CFAC O=C(O)c1scc2c(O)cc(C(F)(F)F)nc12 42784397 TYSPUWXZONZOCL-UHFFFAOYSA-N 263.196 2.719 0 30 CFAC CCOC(=O)c1cnc2oc(Br)cc2c1 35269755 WVQNVPDLECNZGJ-UHFFFAOYSA-N 270.082 2.767 0 30 CFAC O=C1CS[C@@H](c2cccnc2)N1Cc1ccc(F)cc1 103896 CYXIJQSXLATVAI-HNNXBMFYSA-N 288.347 2.995 0 30 CFAC O=C(O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 49121309 SSFYDYAZZVNIAD-UHFFFAOYSA-N 280.686 2.852 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H](c2cccc(F)c2)[C@H]1C(=O)O 2265364220 NADJKAXJDSFKAX-NEPJUHHUSA-N 295.310 2.613 0 30 CFAC CC[C@H](O)CN(C[C@H](O)CC)c1cc(C)cc(C)c1 38645494 MNHPEUKMVUMQQH-IYBDPMFKSA-N 265.397 2.652 0 30 CFAC CCOC(=O)c1ccc2[nH]cc(Br)c2n1 261019830 CWNXRXNBTJCJOR-UHFFFAOYSA-N 269.098 2.502 0 30 CFAC CC(C)(C)OC(=O)CNC12CC3CC(CC(C3)C1)C2 37573776 NDMRWECDZHGEQF-UHFFFAOYSA-N 265.397 2.887 0 30 CFAC CC1=CC[C@H]2C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]2C1 100207655 OVROUVHCPILLMJ-GHMZBOCLSA-N 277.270 2.811 0 30 CFAC O=C(Nc1ccccc1Cl)O[C@H]1CN2CCC1CC2 129706 LGTXTMDJPFXCMX-ZDUSSCGKSA-N 280.755 2.983 0 30 CFAC CC[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C(=O)O)C1 39941379 RJSJUEQSXQQTJU-GXTWGEPZSA-N 291.347 2.898 0 30 CFAC CC(C)(C)OC(=O)N[C@@]1(c2cccc(F)c2)CCNC1 958692084 MCHACKJXVNWYPF-HNNXBMFYSA-N 280.343 2.539 0 30 CFAC CCOC(=O)c1cc(C)nn1Cc1ccc(C)cc1 127791 OPYRTVDEVNUYOC-UHFFFAOYSA-N 258.321 2.725 0 30 CFAC CC(C)N[C@@H](Oc1csc2ccccc12)[C@@H](C)O 199887442 TZRNEEFZMYUKED-YGRLFVJLSA-N 265.378 2.985 0 30 CFAC CC(C)(C)OC(=O)N1O[C@H]1C(Cl)(Cl)Cl 38294824 RKQBULMPIKTIOE-DPVSGNNYSA-N 262.520 2.865 0 30 CFAC Cc1ccccc1C[C@H](CO)CNC(=O)OC(C)(C)C 98210197 ACTRTZQAJKIOHW-ZDUSSCGKSA-N 279.380 2.671 0 30 CFAC COC(=O)C1(c2cc(F)cc(Br)c2)CC1 238850447 BRCKPPXXLUSYAW-UHFFFAOYSA-N 273.101 2.793 0 30 CFAC Cc1ccsc1CNS(=O)(=O)c1ccc(F)cc1 147829 INHBFXCOHCERSN-UHFFFAOYSA-N 285.365 2.674 0 30 CFAC COc1ccc2c(c1)OC[C@H](NC(=O)OC(C)(C)C)C2 223760341 VHGNQDPCBIXKPB-LLVKDONJSA-N 279.336 2.523 0 30 CFAC CCCOC(=O)CNC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 256170214 NOHWSHIQJRPKOC-MELADBBJSA-N 283.412 2.764 0 30 CFAC CCN(CC)CC(=O)N[C@H](c1ccccc1)C1CCC1 3622594 NFDHEFLMCQYANG-QGZVFWFLSA-N 274.408 2.986 0 30 CFAC CC(=O)n1nccc1-c1cc(-c2ccccc2)no1 123970 BSMYFZNAYGALKU-UHFFFAOYSA-N 253.261 2.865 0 30 CFAC CCCOC(=O)C(O)(c1ccccc1)c1ccccc1 2168946 IKFSGYFNHOQVPF-UHFFFAOYSA-N 270.328 2.876 0 30 CFAC CCOc1ccc([C@]2(C(=O)O)CC2(Cl)Cl)cc1 34099346 DQXVWYCZSNWWIU-NSHDSACASA-N 275.131 2.985 0 30 CFAC CC1(C)Cc2ccccc2[C@](O)(c2ccccc2)[C@H]1O 32233383 IQMBJCZXIXPNDO-FUHWJXTLSA-N 268.356 2.866 0 30 CFAC CC(C)(C)OC(=O)N[C@H]1CCc2sc(C(=O)O)cc21 2265383684 OYUNJDJDDQHMMD-QMMMGPOBSA-N 283.349 2.958 0 30 CFAC CCCS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O 148897 HDBYSXJDWHOARJ-UHFFFAOYSA-N 286.736 2.630 0 30 CFAC CCOC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 76872035 JXJJXVKJXFKALA-MNOVXSKESA-N 271.357 2.633 0 30 CFAC O=C1C[C@@H](c2ccccc2)C(=O)N1Cc1cccs1 100208190 CYUGJWQDDZQGEH-ZDUSSCGKSA-N 271.341 2.791 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H](C2CCNCC2)C1 96946818 WSJZMYHXQJRAED-ZDUSSCGKSA-N 268.401 2.633 0 30 CFAC CCc1ccc(C(=O)NC(=O)c2ccccc2O)cc1 157026 SQCYGVGSFMDQJD-UHFFFAOYSA-N 269.300 2.525 0 30 CFAC CC(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 2010950 AUVKAPTZKCQVPN-UHFFFAOYSA-N 275.348 2.527 0 30 CFAC O=C(n1c(S)nc2cc(F)ccc21)C(F)(F)F 22000714 CHOHDHZLYCBJDX-UHFFFAOYSA-N 264.203 2.667 0 30 CFAC O=C(O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1ccccc1 382674709 LPMRHXFWNPQQEQ-SJORKVTESA-N 297.354 2.713 0 30 CFAC O=C1CSC(=O)N1c1ccc(C(F)(F)F)cc1 1046075 HPJVOSGPDFWUFJ-UHFFFAOYSA-N 261.224 2.905 0 30 CFAC CNCc1c(C(F)(F)F)nn(C)c1Oc1ccccc1 12370779 AJQKRVBDVZVOBK-UHFFFAOYSA-N 285.269 2.951 0 30 CFAC COC(=O)[C@H]1CC(C)(C)CN1C(=O)OCc1ccccc1 642881820 KOKLTGOHIRFVHG-CYBMUJFWSA-N 291.347 2.597 0 30 CFAC CC[C@H]1CO[C@](Cn2cncn2)(c2cc3ccccc3o2)O1 95864116 NDNRJWWYXRNCTI-BBRMVZONSA-N 299.330 2.703 0 30 CFAC C[C@@H](N[C@@H](CCC(F)(F)F)C(N)=O)c1ccccc1 113541172 AYAIJXOLOYQFPL-KOLCDFICSA-N 274.286 2.534 0 30 CFAC O=C(O)CC[S@](=O)c1cc(Cl)ccc1Cl 44375297 QBNJIMOKEXOFNS-OAHLLOKOSA-N 267.133 2.576 0 30 CFAC COc1ccc(Nc2cnc(Br)cn2)cc1 40435093 RRCDAYXAURXRIT-UHFFFAOYSA-N 280.125 2.991 0 30 CFAC O=C1C=C(/C=C/C=C/C=C/c2ccccc2)[C@H](O)O1 33984976 ASTSPPNXMWCPRE-OAGCWESSSA-N 254.285 2.614 0 30 CFAC COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 496945971 BZKQHHLHGDCHQW-UHFFFAOYSA-N 271.338 2.906 0 30 CFAC O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1CC(CO)C2 100006738 BYTYNVIRGLRSME-GJZGRUSLSA-N 275.348 2.559 0 30 CFAC CCC1(CO[P@@](C)(=O)OC)COP(C)(=O)OC1 5819482 CFIFBLCPLCPITL-ZAEATZIPSA-N 286.201 2.738 0 30 CFAC Brc1nnc(Cc2ccccc2)s1 11920184 QOXNROCBRTYLFA-UHFFFAOYSA-N 255.140 2.891 0 30 CFAC CN(C)CCCC(=O)C(O)(c1ccccc1)c1ccccc1 3613456 IVAAVEHRGYTOQH-UHFFFAOYSA-N 297.398 2.833 0 30 CFAC COc1c(OC)c2c(OC)c3ccoc3cc2oc1=O 15266383 SHOQQSABOUVQLJ-UHFFFAOYSA-N 276.244 2.565 0 30 CFAC COc1cc(OC)cc(Oc2cccc(CN)c2)c1 69330577 VQEGZJIUOUXUCX-UHFFFAOYSA-N 259.305 2.955 0 30 CFAC in-vitro O=C(O)CSc1nc2ccccc2n1C1CSC1 33895638 UGPWTEPMLDFBOD-UHFFFAOYSA-N 280.374 2.501 0 30 CFAC N=C(NO)c1cccc(C(F)(F)C(F)(F)F)c1 950757507 LWAQNFWNYXOVBU-UHFFFAOYSA-N 254.158 2.645 0 30 CFAC O=[P@]1(CCO)Oc2ccccc2-c2ccccc21 197228894 QOACETVVECEGPO-GOSISDBHSA-N 260.229 2.642 0 30 CFAC CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)C(=O)C(F)(F)F 604973100 LJWTWAVRWNNNCK-WCABBAIRSA-N 252.276 2.941 0 30 CFAC COC(=O)c1sccc1-c1ccc(C(C)=O)o1 107811 JXJPAXPTEHQKBJ-UHFFFAOYSA-N 250.275 2.997 0 30 CFAC Cc1nc(C(F)(F)F)ccc1C(=O)NCC1CC1 66522 CAJGSTYGWLCYCI-UHFFFAOYSA-N 258.243 2.549 0 30 CFAC COC(=O)c1cc(C)c(C)cc1I 98181561 UGUWDMDBLYRSGT-UHFFFAOYSA-N 290.100 2.695 0 30 CFAC CCOC(=O)c1cc2nc3sccn3c2s1 124458 YMNUIDSWHQGQRC-UHFFFAOYSA-N 252.320 2.787 0 30 CFAC CCOC(=O)Nc1ccc(Br)cc1N 20521011 MXGVUXGQZUAWBQ-UHFFFAOYSA-N 259.103 2.600 0 30 CFAC in-vitro CCOC(=O)c1ccc(F)c(I)c1 2034369 QEUVGNOTLWOYDH-UHFFFAOYSA-N 294.063 2.607 0 30 CFAC C[C@H]1CN(C(=N)c2ccc(Cl)cc2)C[C@H](C)O1 4323624 QBUIZOZCKUPZGT-UWVGGRQHSA-N 252.745 2.775 0 30 CFAC O=C1NC(=O)/C(=C\c2ccccc2)C2=C1CCCC2 30691265 JFTOCKFCHJCDDX-UVTDQMKNSA-N 253.301 2.597 0 30 CFAC in-man O=C(O)c1cc(C=Cc2cc(O)ccc2O)ccc1O 2265369544 AYPFKZQQTSLEJG-UHFFFAOYSA-N 272.256 2.672 0 30 CFAC NC(=O)[C@@H]1CCC[C@H]2c3cc(Cl)ccc3N[C@@H]21 13677631 NYORQUCSPQVLTE-SBMIAAHKSA-N 250.729 2.503 0 30 CFAC O=C(NC[C@H](O)c1ccccc1)Nc1cccs1 152430 UQUUSGXIFCPNHR-NSHDSACASA-N 262.334 2.603 0 30 CFAC CCOC(=O)c1c(Cl)c2ccccc2oc1=O 162796 WVZJJFORJMBAGQ-UHFFFAOYSA-N 252.653 2.623 0 30 CFAC OCCN1CCc2ccccc2[C@@H]1c1ccccc1 21993631 AFOUAOIZHNGJNH-KRWDZBQOSA-N 253.345 2.626 0 30 CFAC CCC1(Cc2ccc(Br)cc2)CNC1 86396165 BMKDDNURFUPKFP-UHFFFAOYSA-N 254.171 2.991 0 30 CFAC COC(=O)c1ccc(N=c2ssnc2Cl)cc1 254845373 BNJYCSAKUHWDGQ-UHFFFAOYSA-N 286.765 2.877 0 30 CFAC COc1ccc(/C=C2\N=C(C)OC2=O)c(Cl)c1OC 128173 MBLXEAKTDQKHFC-TWGQIWQCSA-N 281.695 2.673 0 30 CFAC O=C(O)c1ccn(-c2ccc(C(F)(F)F)cc2)n1 37335166 QBDFYHKKZDWPGD-UHFFFAOYSA-N 256.183 2.589 0 30 CFAC CC(C)(C)OC(=O)N1CCC([C@@H]2CCCNC2)CC1 79065897 LCONZSJOQNGGPV-CYBMUJFWSA-N 268.401 2.633 0 30 CFAC in-vitro CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(F)(F)F)CC1 95764326 NHPOEZNXKKOGCN-QMMMGPOBSA-N 281.274 2.765 0 30 CFAC in-vitro O=C(O)[C@H](O)c1cc(Cl)c(Cl)cc1Cl 6091071 MSFLMFCJMMEJHO-SSDOTTSWSA-N 255.484 2.765 0 30 CFAC O=C(O)c1cc2c(Br)ccc(F)c2[nH]1 230277995 RVMXLJCXRSDJBF-UHFFFAOYSA-N 258.046 2.768 0 30 CFAC Cc1ccc(S(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1 117356918 KUNIOZRLBZBQJU-UHFFFAOYSA-N 285.365 2.551 0 30 CFAC O=Cc1cc(C(=O)OCc2ccccc2)ccc1O 40864386 TVRJXEUSEQOGCP-UHFFFAOYSA-N 256.257 2.562 0 30 CFAC C[C@@H](N)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 238384165 DTKPKZJZDMQSQF-ZYHUDNBSSA-N 250.342 2.600 0 30 CFAC CCOC(OCC)(OCC)C(OCC)(OCC)OCC 33854406 UVHGGILPAMVDJM-UHFFFAOYSA-N 294.388 2.513 0 30 CFAC Cc1cccc(-c2nc(C)cc(OC(=O)N(C)C)n2)c1 74004 WLSWHKRBUUUAGA-UHFFFAOYSA-N 271.320 2.821 0 30 CFAC CC(=O)c1ccc(F)c(I)c1 238142059 HALREDJRXQMTIU-UHFFFAOYSA-N 264.037 2.633 0 30 CFAC Cc1nn(-c2ccccc2)c(C)c1[C@@H]1OCC[C@H]1C(=O)O 407986793 KKSDIAFMUQPDPN-UKRRQHHQSA-N 286.331 2.651 0 30 CFAC COc1cccc(C(=O)Nc2n[nH]c3ccccc23)c1 114804 MRZYVXWYTJARGK-UHFFFAOYSA-N 267.288 2.824 0 30 CFAC CC(C)(C)NC(=O)NCc1ccc(-c2csnn2)cc1 106453 QCQHGFQNXYCEPM-UHFFFAOYSA-N 290.392 2.803 0 30 CFAC CCn1nc2c(c1C)[C@](O)(CCCN(C)C)c1ccccc1-2 3604189 MQUIEPIATGXFNU-SFHVURJKSA-N 299.418 2.770 0 30 CFAC O=S1(=O)N=[S@@](c2ccccc2)c2ccccc21 88108 ZFZUNQHNLWAQDD-MRXNPFEDSA-N 263.343 2.609 0 30 CFAC COc1ccc(NC(=O)OCc2ccncc2)cc1 2037488 QQOMVMHBXKYZFL-UHFFFAOYSA-N 258.277 2.839 0 30 CFAC Cc1cc(OCCN2CCCC2)n(Cc2ccccc2)n1 3634217 NCCUXQRTRQHCGG-UHFFFAOYSA-N 285.391 2.714 0 30 CFAC O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 334163839 MOMXYXDBGADMFD-HZSPNIEDSA-N 289.331 2.508 0 30 CFAC CCN(CC)C(=S)NC(=S)c1ccc(C)cc1 164172 DWKPNBPEFRXOSH-UHFFFAOYSA-N 266.435 2.887 0 30 CFAC CC(=O)Nc1nc(C)c(Oc2ccc(C)cc2)c(O)n1 13469668 IUPWLIOJYRLKRU-UHFFFAOYSA-N 273.292 2.550 0 30 CFAC Cc1cncn1C1CCN(C(=O)OC(C)(C)C)CC1 95883704 LDUKTRPZRHQFEA-UHFFFAOYSA-N 265.357 2.764 0 30 CFAC CC(C)(O)C(C)(C)OB(O)/C=C/c1cc(F)cc(F)c1 203810279 XTOQTDJFPBVIIL-AATRIKPKSA-N 284.111 2.564 0 30 CFAC CCOC(=O)c1cn(C(C)(C)C)nc1Br 95347863 GCMLQVCGOKDQKL-UHFFFAOYSA-N 275.146 2.577 0 30 CFAC in-vitro CCOC(=O)c1[nH]c2ccc(OCC)cc2c1C=O 3679796 XFYNUQMACCCPAA-UHFFFAOYSA-N 261.277 2.556 0 30 CFAC CCOC(=O)Cn1ccnc1SCc1ccccc1 526059864 ZDHQSQYIKYYWNR-UHFFFAOYSA-N 276.361 2.739 0 30 CFAC O=C(Nc1nc2ccsc2c(=O)s1)c1ccco1 119523 VFHPAWYPWGGPTF-UHFFFAOYSA-N 278.314 2.563 0 30 CFAC O=C(O)c1c(F)c(F)c(F)c(F)c1Br 86862148 CSQFCJLDFYDOGY-UHFFFAOYSA-N 272.979 2.704 0 30 CFAC CCN(Cc1ccccc1)c1cccc(S(=O)(=O)O)c1 34112217 KVBANSJOXDHNIW-UHFFFAOYSA-N 291.372 2.960 0 30 CFAC CCOC(CCCNc1cc(C)ccn1)OCC 15042376 HJZCENMXWPBUBI-UHFFFAOYSA-N 252.358 2.981 0 30 CFAC CCOC(=O)/C(C)=C1\CCN(C(=O)OC(C)(C)C)C1 704610527 YIJDOLMVKGCNSM-ZHACJKMWSA-N 269.341 2.507 0 30 CFAC Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC[C@@H](C)O 38613891 RIUWAQXPPSBCQL-GHMZBOCLSA-N 286.755 2.730 0 30 CFAC CCOC(=O)c1ccccc1-c1cnc([C@H]2CCCN2)cn1 606241620 IHAXSORGOJESKY-CQSZACIVSA-N 297.358 2.745 0 30 CFAC CCCc1cc(=O)oc2cc(OC(=O)N(C)C)ccc12 90220 ORSQGXCJDFHKAM-UHFFFAOYSA-N 275.304 2.806 0 30 CFAC O=C1C(=O)N(CNc2ccc(F)cc2F)c2ccccc21 2151344 SJRJPKRCDWXBBC-UHFFFAOYSA-N 288.253 2.564 0 30 CFAC O=c1[nH]c(Cl)cc2ccc(Br)cc12 141447563 VLEPMSIHOVKMCS-UHFFFAOYSA-N 258.502 2.944 0 30 CFAC CSc1nc2sc(C)c(C)c2c2nncn12 85384708 LCFUDWAMZVBUPH-UHFFFAOYSA-N 250.352 2.678 0 30 CFAC Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2ccccc2)nc1 152775 OGKSPHPRUHAPHE-CQSZACIVSA-N 298.342 2.977 0 30 CFAC Cc1coc2c1[C@H]1C=C(CC[C@H]3O[C@@]3(C)C2)C(=O)O1 14971338 NJMLHRWYACXVHJ-HCKVZZMMSA-N 260.289 2.606 0 30 CFAC C[C@H]1O[C@@]2(CCCC[C@H]2Oc2cccc(Cl)c2)NC1=O 34150724 PSHBCUHYCLAGPZ-WDBKCZKBSA-N 295.766 2.893 0 30 CFAC in-man COCCOc1c(F)cc(Br)cc1F 1083799932 ACWRIGLBUPGFRC-UHFFFAOYSA-N 267.069 2.753 0 30 CFAC N[C@H]1CC[C@H](Nc2cc3ccccc3c(O)n2)CC1 322166531 WOUOAMIMUMVMDK-HAQNSBGRSA-N 257.337 2.622 0 30 CFAC CSc1nc(N)nc(-c2ccc(C(F)(F)F)cc2)n1 76938 KZGOQQGLLCYTGE-UHFFFAOYSA-N 286.282 2.862 0 30 CFAC COC(=O)/C=C/c1ccc(OC)c(OC)c1Cl 89061376 LTOAXWNMVLRBTI-FNORWQNLSA-N 256.685 2.543 0 30 CFAC Cc1ccc(Cc2nc(-c3ccccc3)n[nH]c2=O)cc1 196150379 OALRUALPKWRPLA-UHFFFAOYSA-N 277.327 2.731 0 30 CFAC CC(C)(C)OC(=O)c1c(F)cncc1Br 96032277 PGZTZKHNEMIGSS-UHFFFAOYSA-N 276.105 2.939 0 30 CFAC Cc1cccc(C)c1NC(=O)CCN1C[C@H](C)O[C@@H](C)C1 20458508 QMSHNUMEWJZVDT-GJZGRUSLSA-N 290.407 2.741 0 30 CFAC CCN(C(=O)OC(C)(C)C)c1ccc(CN)cc1 34654006 COBWREBTSMZUSP-UHFFFAOYSA-N 250.342 2.907 0 30 CFAC Brc1ncccc1OCCc1ccccn1 83454700 RRTKBISJAVBUHG-UHFFFAOYSA-N 279.137 2.861 0 30 CFAC in-vitro COc1ccc2c(=O)c(Cc3ccccc3)c(O)[nH]c2c1 85935 USSOZRFXLWBOOI-UHFFFAOYSA-N 281.311 2.833 0 30 CFAC Brc1nccc(OCc2ccccc2)n1 95775937 FAJRBYSMUKJKCR-UHFFFAOYSA-N 265.110 2.818 0 30 CFAC O=c1c(NCc2ccccc2)c(NCc2ccccc2)c1=O 100049170 CDQDQDSGKAKONQ-UHFFFAOYSA-N 292.338 2.507 0 30 CFAC FC(F)(F)Sc1nnc(Br)s1 950757234 JOUDUNZWRUTHGY-UHFFFAOYSA-N 265.079 2.913 0 30 CFAC CC(C)(C)CNCc1cncc(Br)c1 91352026 QKBNANJCUKYMLN-UHFFFAOYSA-N 257.175 2.980 0 30 CFAC in-vitro COc1ccc([C@@H](N)c2ccc3c(c2)CCO3)cc1 19971027 PLWPBSTZRDYVCH-MRXNPFEDSA-N 255.317 2.678 0 30 CFAC in-vitro CC(=O)N(C1=NCCC(=O)S1)c1ccc(Cl)cc1 89621 VCWUHRWWXORAGJ-UHFFFAOYSA-N 282.752 2.712 0 30 CFAC O=c1nc(SCc2ccccc2)[nH]c2[nH]ccc12 95642735 FUMBVWQLYALZAY-UHFFFAOYSA-N 257.318 2.544 0 30 CFAC CC(=S)N(N)CCOc1ccc(Cl)cc1Cl 96331633 XEDSUULUNXMDIQ-UHFFFAOYSA-N 279.192 2.895 0 30 CFAC COC(=O)[C@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 396151833 AYGNLFWZEHRYBL-WBMJQRKESA-N 297.395 2.977 0 30 CFAC Cc1ccc(C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)O)cc1 146418679 OLIJDVVFIGHTLM-REWJHTLYSA-N 258.317 2.925 0 30 CFAC O[C@@H]1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@H]23 5935068 KOIGYXJOGRVNIS-LYRGGWFBSA-N 268.360 2.845 0 30 CFAC in-man Cc1cc(C)cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1 44296066 YTXNDRYCIWRWPG-CYBMUJFWSA-N 293.363 2.824 0 30 CFAC C=Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 137069199 DBCHOOKQEUOCNZ-ZDUSSCGKSA-N 291.347 2.850 0 30 CFAC NCCc1cn(-c2ccc(O)cc2)c2ccccc12 200006644 ZKBGQDLOZUNAGT-UHFFFAOYSA-N 252.317 2.837 0 30 CFAC CN(CCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 5965671 HDKXNOZGPYDIMX-SFHVURJKSA-N 294.398 2.966 0 30 CFAC NCCc1nc2ccccc2n1CCc1ccccc1 19734102 XDMKMEOOBJUHBD-UHFFFAOYSA-N 265.360 2.780 0 30 CFAC CNC[C@H]1Oc2ccccc2[C@@H](c2ccccc2)O1 39120004 IBTKBAINBQMFQN-JKSUJKDBSA-N 255.317 2.731 0 30 CFAC CCOC(=O)C1=CNCC(C)(C)c2c1[nH]c1ccccc21 66339809 QGICDOSNYPJQFR-UHFFFAOYSA-N 284.359 2.953 0 30 CFAC Cn1cc(Br)c(OCc2ccccc2)cc1=O 504568986 HTISIIXHSCVIEJ-UHFFFAOYSA-N 294.148 2.727 0 30 CFAC O=C(O)c1c[nH]c2c(Cl)cnc(Br)c12 14986231 ILARIBBHMDRKRP-UHFFFAOYSA-N 275.489 2.677 0 30 CFAC COc1ccc2c(c1)C[C@@H](Cc1ccncc1)C2=O 13736295 HKUPXKYZDOQZHE-CYBMUJFWSA-N 253.301 2.688 0 30 CFAC CC(C)(I)I 66055369 AZUCPFMKPGFGTB-UHFFFAOYSA-N 295.889 2.593 0 30 CFAC Cc1cc(Br)ccc1C(=O)NC(C)C 48166708 PCNGJMVBTXYAIH-UHFFFAOYSA-N 256.143 2.896 0 30 CFAC Cc1cc(F)c(C(=O)c2c[nH]c(C(=O)O)c2)c(F)c1 66054597 QMGWCQVMDZRXJE-UHFFFAOYSA-N 265.215 2.531 0 30 CFAC COC(=O)CC(=O)c1ccc(Br)cc1Cl 135054144 BAXUXYUMHGWTAH-UHFFFAOYSA-N 291.528 2.848 0 30 CFAC CCc1nn(C)c(C(=O)n2cnc3ccccc32)c1Cl 21300619 XGGPCGFYODUHHV-UHFFFAOYSA-N 288.738 2.674 0 30 CFAC O=C(COc1ccc(Cl)cc1Cl)OCCCCO 6091954 CTJHMNLYFUNLIM-UHFFFAOYSA-N 293.146 2.688 0 30 CFAC CC1(C)CCC[C@@]2(O)Cc3c(O)ccc(O)c3C[C@@H]12 13407981 STRGITGQLGORKH-GOEBONIOSA-N 262.349 2.754 0 30 CFAC CC(=O)Nc1ccc(O[C@H](O)C(Cl)(Cl)Cl)cc1 173 NFZJQAPVHJPJMD-VIFPVBQESA-N 298.553 2.712 0 30 CFAC in-man CCOC(=O)c1nnc2cc(-c3cccs3)sc2n1 136358 PMWYDTUVYZGLLA-UHFFFAOYSA-N 291.357 2.992 0 30 CFAC CCSCCC(=O)Nc1ccc(N2CCCC2=O)cc1 44881133 UCDACJNKZVSTCC-UHFFFAOYSA-N 292.404 2.895 0 30 CFAC FC(F)(F)Sc1cccc(N2CCNCC2)c1 33506812 XXLTUFBJFUFWJQ-UHFFFAOYSA-N 262.300 2.708 0 30 CFAC CCn1nc(C(F)(F)F)c(C(=O)O)c1C(F)(F)Cl 82160226 ULTDOFCTOQHSSZ-UHFFFAOYSA-N 292.591 2.908 0 30 CFAC in-vitro Brc1ccc2c(c1)N1CCC[C@H]1CN2 87261134 GYVQDQVRYZTQCV-VIFPVBQESA-N 253.143 2.843 0 30 CFAC CC(C)(C)OC(=O)N1CCC(c2c[nH]cn2)CC1 17075 RXZKCVDQVXZSOH-UHFFFAOYSA-N 251.330 2.524 0 30 CFAC C[C@H](N)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 406553612 KFLMOVLYLSUONJ-WODVXLOZSA-N 268.401 2.902 0 30 CFAC CC[C@@H](C(=O)NCCN(CC)CC)c1ccccc1 2000808 NDIIVXRJVKIBCQ-OAHLLOKOSA-N 262.397 2.638 0 30 CFAC Cc1ccc(-c2nnn(CC(=O)C(C)(C)C)n2)cc1Cl 89830 KBVXRFGDVJFPOI-UHFFFAOYSA-N 292.770 2.917 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](N)c2ccc(F)cc21 105638484 QESNUEHFAWCRMV-NSHDSACASA-N 266.316 2.971 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)C(F)(F)CC1 219270781 RVJOPVMUFSOOPG-VIFPVBQESA-N 293.310 2.744 0 30 CFAC CC(C)[C@H]1CC(=O)CN1C(=O)OCc1ccccc1 585164202 DWXJVOAHFRGKEW-CQSZACIVSA-N 261.321 2.623 0 30 CFAC Cc1ccc([C@@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1 134493 AXGIZGVQGTZGBP-WDEREUQCSA-N 251.351 2.562 0 30 CFAC CC(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O 231394155 RRTNLABORIXPCK-AWEZNQCLSA-N 265.740 2.815 0 30 CFAC CC(C)([C@@H](N)c1ccc(F)c(F)c1)N1CCCC1 91533944 WJXRTQWHUVATOZ-ZDUSSCGKSA-N 254.324 2.839 0 30 CFAC in-vitro CSC1=NCCN1CC(=O)c1ccc(Cl)cc1 166991 UKOMEMFJSPOCAV-UHFFFAOYSA-N 268.769 2.557 0 30 CFAC CSc1ccc([C@@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1 4371013 OMRPJKRBLSMJKT-WDEREUQCSA-N 283.418 2.975 0 30 CFAC CC(=O)c1cnc2ccc(Br)cc2c1N 238854965 PYPDLSBRIRORKP-UHFFFAOYSA-N 265.110 2.782 0 30 CFAC CCc1nc(SCCCC(=O)O)nc(C(C)C)n1 250270939 PBMIABRJOXWCNX-UHFFFAOYSA-N 269.370 2.514 0 30 CFAC CN(C)C=NC(=O)NOCc1c(Cl)cccc1Cl 263631257 IUWOGGMELBZFAU-UHFFFAOYSA-N 290.150 2.725 0 30 CFAC CNC(=O)N(C1=NC[C@@H](C)S1)c1cccc(C)c1 86415 SPNCKNUYCJGGCI-SNVBAGLBSA-N 263.366 2.632 0 30 CFAC OCC=CCOc1ncc(C(F)(F)F)cc1Cl 3883662 RMRTZBMWEGBFSV-UHFFFAOYSA-N 267.634 2.681 0 30 CFAC COC(=O)c1nccc2ccc(Br)cc12 82767260 VWCRVDXYRQXMEU-UHFFFAOYSA-N 266.094 2.784 0 30 CFAC O=S(=O)(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1 143056 XPGMZNVJAVQMEM-UHFFFAOYSA-N 284.340 2.910 0 30 CFAC Cc1c(Cl)cc(I)cc1C(=O)O 219803253 OPQJPHAKHSUPCS-UHFFFAOYSA-N 296.491 2.951 0 30 CFAC COc1cc(Br)cc(OC(F)F)c1N 575722748 MLBCPQAAQTZNFP-UHFFFAOYSA-N 268.057 2.641 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 32629281 FYDLKIMTIIGWBV-ZIAGYGMSSA-N 294.370 2.877 0 30 CFAC CC1(C)CN(Cc2ccccc2)Cc2cc(N)cnc21 91368451 HWRYDUARLOUZPE-UHFFFAOYSA-N 267.376 2.957 0 30 CFAC NNc1nc(SCc2ccccc2)nc2[nH]ccc12 95642742 IZTHZIRRUNBAAJ-UHFFFAOYSA-N 271.349 2.536 0 30 CFAC CC(C)(O)C(C)(C)OB(O)CCCc1ccccc1 200338953 LTHAGMZIWDJGGH-UHFFFAOYSA-N 264.174 2.666 0 30 CFAC O=C(c1ccc(Br)cc1F)C1CCNCC1 44713522 SMAUOXSUQRAJPQ-UHFFFAOYSA-N 286.144 2.771 0 30 CFAC CC(=O)c1ccccc1OC[C@@H](O)CN(C(C)C)C(C)C 1998753 KEPGBFRUNYWLPT-HNNXBMFYSA-N 293.407 2.748 0 30 CFAC CC[C@H](CO)N[C@H](C)c1ccccc1Br 20195087 BTQDVWIEXHFBCH-NXEZZACHSA-N 272.186 2.871 0 30 CFAC CC(C)[C@H]1OCCC[C@@H]1Nc1nccc(Cl)n1 98209726 PRKFPUCFMGIJMN-GXSJLCMTSA-N 255.749 2.746 0 30 CFAC OCc1noc(-c2ccccc2)c1Br 238703750 QQXFSHUGDQQNDH-UHFFFAOYSA-N 254.083 2.596 0 30 CFAC CCOC(=O)[C@@H](C)n1nc(C=Cc2ccccc2)ccc1=O 2265276153 BYZVOSQYKHOXMK-CYBMUJFWSA-N 298.342 2.538 0 30 CFAC CC(=O)N[C@@H]1C(=O)Nc2ccc(-c3ccc(C)cc3)cc21 536557747 MKDIXOWFGZAUGH-INIZCTEOSA-N 280.327 2.791 0 30 CFAC CCC(=O)c1ccc(SC(=O)N(C)C)cc1O 133129 NPFXMZPMFYUFQA-UHFFFAOYSA-N 253.323 2.759 0 30 CFAC CC(=O)N1[C@H](c2ccccc2)SC(C)(C)[C@@H]1C(=O)O 4371026 KTQBGMMWEAVGEQ-RYUDHWBXSA-N 279.361 2.512 0 30 CFAC CON1CCN(c2ccc(Cl)cc2Cl)C1=O 32266550 DWFWIHMXQQOPBO-UHFFFAOYSA-N 261.108 2.797 0 30 CFAC COc1ccc2c(c1)c(C=O)nn2C(=O)OC(C)(C)C 72232972 LIRIYGCHZCYZQV-UHFFFAOYSA-N 276.292 2.641 0 30 CFAC N[C@H]1CCCc2cc(I)ccc21 238587243 AEVPYANNBCRPQN-JTQLQIEISA-N 273.117 2.627 0 30 CFAC FC(F)(F)c1nc2ncccn2c1Br 238850494 BXANBMLQWQHMLC-UHFFFAOYSA-N 266.020 2.511 0 30 CFAC O=C(Nc1ccccc1)c1nnc(-c2ccccc2)o1 154736 GSVJQWGLAYGVEB-UHFFFAOYSA-N 265.272 2.989 0 30 CFAC c1ccc([C@@H](OC2CCNCC2)c2ccccn2)cc1 34448497 UOMXVQXBKNHNGB-QGZVFWFLSA-N 268.360 2.940 0 30 CFAC O=C(O)COc1cccc(C(F)(F)C(F)(F)F)c1 95347503 CZCUJEUAIHDYFO-UHFFFAOYSA-N 270.153 2.804 0 30 CFAC CC(C)OC(=O)[C@H](C)SC(=O)c1ccccc1 96336253 NQAAONKADAFGQF-JTQLQIEISA-N 252.335 2.900 0 30 CFAC CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1cccs1 79822 FTGIBPDOJNLTMC-NSHDSACASA-N 296.417 2.949 0 30 CFAC CCCNC(=O)c1ccc(Br)cc1C 48180051 TTYFGRNPVFZCEU-UHFFFAOYSA-N 256.143 2.897 0 30 CFAC CC(C)(C)OC(=O)/C(C#N)=C1\C=CC(Br)=CN1 95644701 TVAOZGBCQIQOHY-MDZDMXLPSA-N 297.152 2.501 0 30 CFAC O=C(NCCCCCCCCCCO)C(F)(F)F 140090381 JVTQOWUYWRMDFS-UHFFFAOYSA-N 269.307 2.778 0 30 CFAC Cc1cccc(C)c1NC1=N[C@@](C)(CO)CS1 72955 PBSUIFCZZFAASR-ZDUSSCGKSA-N 250.367 2.569 0 30 CFAC NC[C@H](CCN1CCCC1)c1cccc(Cl)c1 55167794 ZKPDFRWDVGWCJC-ZDUSSCGKSA-N 252.789 2.868 0 30 CFAC Cc1ccc(S(=O)(=O)Oc2cncc(Cl)c2)cc1 2149245 DENRNNBBVAVJFG-UHFFFAOYSA-N 283.736 2.811 0 30 CFAC CC(C)Oc1cccc([C@]2(O)CCN(C)C[C@H]2C)c1 89157524 DFKRLCHQGGQAOS-CJNGLKHVSA-N 263.381 2.633 0 30 CFAC C[Si](C)(C)CCOCn1ncc2c(Cl)ncnc21 201352906 ZPCYOBGUULWTRD-UHFFFAOYSA-N 284.823 2.792 0 30 CFAC O[C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1 171376 HECLHELGVHQAQM-CYBMUJFWSA-N 280.249 2.788 0 30 CFAC COc1ccc(C=Cc2cccc[n+]2C)c(OC)c1OC 2265279617 HJKQOKWUMMPBJD-UHFFFAOYSA-N 286.351 2.707 0 30 CFAC CC(C)(C)OC(=O)N1CCC[C@H]2C(=O)C(C)(C)[C@@H]21 521399070 XWSDAVMHFAVCMI-NXEZZACHSA-N 253.342 2.611 0 30 CFAC Nc1ncc(-c2ccc(Br)cc2F)o1 230547243 VNEMOSLOBIEUIA-UHFFFAOYSA-N 257.062 2.825 0 30 CFAC O=C(C=CN1CCc2ccccc2C1)C(F)(F)F 33716104 ZWEGSPQJWXDCRR-UHFFFAOYSA-N 255.239 2.690 0 30 CFAC CCCCCCCC1=NCCN1CCOC[C@@H](C)C(=O)O 100297046 VLNZLXQGDKFPBT-CQSZACIVSA-N 298.427 2.798 0 30 CFAC Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC[C@@H](C)O 38613889 RIUWAQXPPSBCQL-MNOVXSKESA-N 286.755 2.730 0 30 CFAC Cc1ccc(F)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 235776048 WJXDKPWTSGNFDO-TXFQPVFDSA-N 289.306 2.596 0 30 CFAC CC[C@H](C)OC(=O)[C@@H](C)[C@@H](C)C(=O)O[C@@H](C)CC 32157471 LQWRRTKDUFSMHR-FIQHERPVSA-N 258.358 2.942 0 30 CFAC CCOC(=O)CC(C)(C)NC(=O)OCc1ccccc1 72191310 JISHVTRVJMIBCZ-UHFFFAOYSA-N 279.336 2.645 0 30 CFAC O=C(Nc1nccs1)c1ccc(-c2csnn2)cc1 107114 BSIZZILRYDBPNI-UHFFFAOYSA-N 288.357 2.914 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCN1 96958503 SORFVNGKJQCDMN-NEPJUHHUSA-N 254.374 2.528 0 30 CFAC COc1nc(O)c(Br)cc1C(F)(F)F 72232959 HPUGEDHJXHPBPO-UHFFFAOYSA-N 272.020 2.577 0 30 CFAC COc1ccc(C=Cc2cccc[n+]2C)c(OC)c1 2265279591 CPPVRICPGWZWCQ-UHFFFAOYSA-N 256.325 2.699 0 30 CFAC CCCCNS(=O)(=O)c1cccc2c(N)cccc12 2144237 QOLMMUFHWWKMNF-UHFFFAOYSA-N 278.377 2.500 0 30 CFAC COC(=O)Nc1cccc(OC(=O)NCC(C)C)c1 1756320 IHMONZYYTNHVBE-UHFFFAOYSA-N 266.297 2.609 0 30 CFAC CCOC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 76872038 JXJJXVKJXFKALA-GHMZBOCLSA-N 271.357 2.633 0 30 CFAC CC(C)(C)OC(=O)NCc1cc(C(=O)O)n2c1CCCC2 725343676 CBRVFAGNDNKUDG-UHFFFAOYSA-N 294.351 2.547 0 30 CFAC CN(C)C(=S)SCCCCSC(=S)N(C)C 5688750 NLILEBBDWYPPKA-UHFFFAOYSA-N 296.552 2.926 0 30 CFAC NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 37425099 PCGNHOFWOUARPN-UHFFFAOYSA-N 259.180 2.917 0 30 CFAC CC1CCC([C@H](NC(=O)OC(C)(C)C)C(=O)O)CC1 85070384 MUOXYNIOJBUOCL-ILDUYXDCSA-N 271.357 2.791 0 30 CFAC CCOC(=O)c1ccc(Br)cc1C(C)=O 59101953 WWOIRSKEBPPVIW-UHFFFAOYSA-N 271.110 2.828 0 30 CFAC CC(=O)c1cnccc1C(=O)c1cc2ccccc2[nH]1 2524923 GMJADPXMUWFUOA-UHFFFAOYSA-N 264.284 2.997 0 30 CFAC CCOC(=O)c1cncc2c1cnn2-c1ccc(F)cc1 95616813 KHYOCKRDQZYFCO-UHFFFAOYSA-N 285.278 2.736 0 30 CFAC C[C@H]1[C@H](C(=O)O)[C@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@H]1C2(C)C 32099130 UQZDUROZSXGGBH-LDMBFOFVSA-N 297.395 2.893 0 30 CFAC FC(F)(F)c1cc(-c2cccs2)n2ncnc2n1 118700 KCNAEYHOBFWQIF-UHFFFAOYSA-N 270.239 2.872 0 30 CFAC CC[C@@H](CO)NC(=S)Nc1ccc(C)c(Cl)c1 71806 IVMCLZJXRJGJED-VIFPVBQESA-N 272.801 2.706 0 30 CFAC COc1cccc2c(I)nccc12 96835774 QQSHSCOWRYWQRY-UHFFFAOYSA-N 285.084 2.848 0 30 CFAC CCOC(=O)c1ccccc1-c1cnc([C@@H]2CCCN2)cn1 606241619 IHAXSORGOJESKY-AWEZNQCLSA-N 297.358 2.745 0 30 CFAC COC(=O)c1ccc(O)c(CSc2ccccn2)c1 123581 GWQFLCLXOPPBHY-UHFFFAOYSA-N 275.329 2.866 0 30 CFAC Cn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 116762 NOPZFLUAIHQOMC-UHFFFAOYSA-N 293.392 2.518 0 30 CFAC CC[C@@H](O)CN(C[C@H](O)CC)c1cc(C)cc(C)c1 38645497 MNHPEUKMVUMQQH-HZPDHXFCSA-N 265.397 2.652 0 30 CFAC NCCOc1ccc(Br)cc1C(F)(F)F 75914143 DGCCXSVJMXZBNN-UHFFFAOYSA-N 284.075 2.805 0 30 CFAC CC(C)(C)OC(=O)NC[C@]1(C(=O)O)CC2CCC1CC2 725244836 MZQPPDIATYQATE-QKFMDRJYSA-N 283.368 2.792 0 30 CFAC CC(C)Oc1cccc([C@@]2(O)CCN(C)C[C@H]2C)c1 137156464 DFKRLCHQGGQAOS-CZUORRHYSA-N 263.381 2.633 0 30 CFAC CCCCN(C)S(=O)(=O)c1cccc2c(N)cccc12 2144243 MWOPJUBBAFHSNL-UHFFFAOYSA-N 292.404 2.843 0 30 CFAC COC(=O)C1=CC=C(c2ccc(OC)cc2)SC1 105623 NYESRVIIIXQAPP-UHFFFAOYSA-N 262.330 2.882 0 30 CFAC COCCOc1cc(COC)nc(-c2cccc(C)c2)n1 3129440 JGFLTUKILZFSLU-UHFFFAOYSA-N 288.347 2.624 0 30 CFAC CC(C)(C)n1cc(Br)c2c(N)ncnc21 379791600 JJXJOCUKLYXRKM-UHFFFAOYSA-N 269.146 2.531 0 30 CFAC c1ccc(N2CCN([C@@H]3COc4ccccc4C3)CC2)cc1 33885812 GVDKPJIEHKCNNK-SFHVURJKSA-N 294.398 2.812 0 30 CFAC CC(C)(C)OC(=O)NCC[C@@H](CC(=O)O)C(F)(F)F 57219098 VBVHGWGVTGSANP-ZETCQYMHSA-N 285.262 2.554 0 30 CFAC CC(C)[C@@H](O)C(=O)C[C@H](C)CCC(=O)c1ccoc1 100823572 HCPDJZNVPUCXHZ-IAQYHMDHSA-N 266.337 2.855 0 30 CFAC endogenous,in-man Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC[C@H](C)O 38613892 RIUWAQXPPSBCQL-QWRGUYRKSA-N 286.755 2.730 0 30 CFAC CC(C)(C)OC(=O)NCc1ccc2c(c1)CCC2=O 138894146 XSXYYZQXIQYNBK-UHFFFAOYSA-N 261.321 2.840 0 30 CFAC C[C@H]1CN(C(=N)c2ccc(Cl)cc2)C[C@@H](C)O1 4323623 QBUIZOZCKUPZGT-AOOOYVTPSA-N 252.745 2.775 0 30 CFAC COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C=O)CC3 38601988 FZNYYMPPLIJMRC-KBAYOESNSA-N 285.387 2.910 0 30 CFAC O=C(NC1CC1)c1cc(Cl)ccc1Br 125872434 VYYPGJKZOSYLQY-UHFFFAOYSA-N 274.545 2.995 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@]2(CN)CCCC[C@@H]12 725269583 APOAUNNOAJYODG-BXUZGUMPSA-N 254.374 2.515 0 30 CFAC CC(C)(C)OC(=O)N1CC([C@@H](N)c2ccc(F)cc2)C1 406875735 UIGPUQOEQFKUIE-ZDUSSCGKSA-N 280.343 2.692 0 30 CFAC COC[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 100349189 GKRWQTZYSYFMOV-ZETCQYMHSA-N 288.130 2.519 0 30 CFAC COC(=O)C1=C(Nc2ccc(Cl)cc2)CSC1 96157 KBZUEXLGDZQZNG-UHFFFAOYSA-N 269.753 2.926 0 30 CFAC NC[C@@H]1Cc2ccc(F)cc2[C@H](c2ccccc2)O1 4626744 AFYFIUCXBSVQSE-HOCLYGCPSA-N 257.308 2.815 0 30 CFAC Cc1c(I)cc(Cl)cc1C(=O)O 125052410 JVDRDJGARBNRQI-UHFFFAOYSA-N 296.491 2.951 0 30 CFAC COC(=O)[C@H](Br)c1cc(F)cc(F)c1 115268279 NJNOIMBODCNIGL-MRVPVSSYSA-N 265.053 2.574 0 30 CFAC COC(=O)c1cc(Br)c(Cl)c(OC)c1 217639223 GQYAGVRJWFQKQI-UHFFFAOYSA-N 279.517 2.898 0 30 CFAC CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CCN 36154738 PJPADIHDUZOYIQ-CQSZACIVSA-N 276.380 2.870 0 30 CFAC CCNC(=O)N(Cc1ccccc1)Cc1cccnc1 77091 AIKWDKUPCZUKKO-UHFFFAOYSA-N 269.348 2.813 0 30 CFAC COC(=O)c1cc(OCc2ccccc2)ccc1O 39374985 STKBIDZTDFSKEP-UHFFFAOYSA-N 258.273 2.758 0 30 CFAC N[C@@H]1c2cccnc2[C@H](O)CC[C@H]1c1cccc(F)c1F 145634320 LZGRTPPTGDJDKZ-ZBINZKHDSA-N 290.313 2.971 0 30 CFAC Oc1c(Br)cnc2c(F)cc(F)cc12 41702134 HHPIDHDCTQYXMO-UHFFFAOYSA-N 260.037 2.981 0 30 CFAC NC(=O)c1cccc(C(F)(F)F)c1Br 694950226 HEHASHWRQNRNEY-UHFFFAOYSA-N 268.032 2.567 0 30 CFAC O=C(O)CCCCCCCCCCCC(=O)OCCO 238790874 USIIOFWTGJCPNR-UHFFFAOYSA-N 288.384 2.898 0 30 CFAC C=Cn1cnc(Br)c1Br 34543356 VHRFOYQKUSDLDT-UHFFFAOYSA-N 251.909 2.509 0 30 CFAC COC(=O)c1ccc(Br)c2c1OCC=C2 47844977 WJOISXQWAFCSLT-UHFFFAOYSA-N 269.094 2.641 0 30 CFAC in-vitro Cc1csc(N2C(=O)C=CC2=O)c1C(=O)c1ccccc1 116271 KXMUNWPEHIUIET-UHFFFAOYSA-N 297.335 2.717 0 30 CFAC CC1=NN(c2ccccc2)C(=O)[C@H]1C(=NO)c1ccccc1 254379203 MVRJKCVBRDYVOI-OAHLLOKOSA-N 293.326 2.904 0 30 CFAC CCOC(=O)C(=O)c1cscc1C(F)(F)F 397405704 MJXNSPPGLZYVIW-UHFFFAOYSA-N 252.213 2.513 0 30 CFAC Cc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)[nH]1 34560982 IJOYKDUPWGVGRQ-UHFFFAOYSA-N 281.290 2.946 0 30 CFAC N#CCc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 148567 AKLIQFRXGMXTHI-UHFFFAOYSA-N 280.283 2.703 0 30 CFAC CCCCNS(=O)(=O)c1cccc2c(C)ccc(O)c12 5513901 UIOIASSGJKTELU-UHFFFAOYSA-N 293.388 2.932 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@H](c2c(F)cccc2F)C1 95642321 MGDSEVMUJDNAAB-LBPRGKRZSA-N 298.333 2.846 0 30 CFAC COC(=O)CCC[C@H](OC)c1cccc(OC)c1 238856754 XCARDCMWFPGKNJ-ZDUSSCGKSA-N 252.310 2.726 0 30 CFAC O=C(C[C@H]1OC(=O)c2ccccc21)c1ccccn1 100563 ASGILQOCOUUZGB-CQSZACIVSA-N 253.257 2.566 0 30 CFAC CCCCCC[C@H]([C@H](C)O)n1cnc2cncnc21 26672564 ZTSORWGHRMIOHU-WCQYABFASA-N 262.357 2.719 0 30 CFAC COC(=O)COc1nc(Cl)c(Cl)cc1Cl 2562443 MNYBZEHWPRTNJY-UHFFFAOYSA-N 270.499 2.594 0 30 CFAC biogenic CN1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1 19835203 JRFKERTZTQWVKH-UHFFFAOYSA-N 292.429 2.864 0 30 CFAC CCOC(=O)c1csc(-c2csc(C)n2)n1 121472 FHGMNWOUMCGLTE-UHFFFAOYSA-N 254.336 2.752 0 30 CFAC CNc1ccccc1-c1cc2c(cc1CO)OCO2 900859 GSEKYIWUAPZIEF-UHFFFAOYSA-N 257.289 2.616 0 30 CFAC biogenic,in-vitro COc1ccc(-c2ncc[nH]2)cc1Br 82556186 BBEORLCGVHUWKS-UHFFFAOYSA-N 253.099 2.848 0 30 CFAC CC1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 102195180 WNRLLIPYOXVGNC-RWMBFGLXSA-N 252.427 2.781 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2c3c(F)cccc3[C@@H](N)[C@H]2C1 306730557 LFGCUOHXIIZDSF-COPLHBTASA-N 292.354 2.790 0 30 CFAC CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(Cl)n1 98113877 VDAGIWRCCKIILV-ONGXEEELSA-N 255.749 2.746 0 30 CFAC COC(=O)c1cccc(N=c2ssnc2Cl)c1 254487911 DGMVSANJFKMNJS-UHFFFAOYSA-N 286.765 2.877 0 30 CFAC Cc1cc(-c2nc(C(=O)N3CCCCC3)cs2)no1 1031492 NZIBKPONCLJFQB-UHFFFAOYSA-N 277.349 2.733 0 30 CFAC CCOC(=O)[C@@H]1CN1C(=O)Nc1cccc2ccccc12 5650637 AKJCWKLUZKLVNN-PIVQAISJSA-N 284.315 2.619 0 30 CFAC CCOCCCn1c(=S)[nH]c2c(C)cccc2c1=O 9157669 SLCKLXHOIYHUQE-UHFFFAOYSA-N 278.377 2.794 0 30 CFAC CC(C)(C)OC(=O)c1cc(Br)cc(CO)c1 115162705 VVXBARFWBGGFJQ-UHFFFAOYSA-N 287.153 2.897 0 30 CFAC CC(C)(O)C(C)(C)OB(O)C1CCC(F)(F)CC1 1081077694 ZOMUYGCUWGINBK-UHFFFAOYSA-N 264.121 2.613 0 30 CFAC Clc1ccc(Cc2csc(N3CCNCC3)n2)cc1 33867175 NFZSVLPRLZPLKQ-UHFFFAOYSA-N 293.823 2.797 0 30 CFAC CCOC(=O)C(F)(F)Oc1ccc(Br)cc1 39326101 DRZSOYQFGXVGCK-UHFFFAOYSA-N 295.079 2.984 0 30 CFAC CCCN(CCC)C(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234566 WZXURTAHRGLECZ-RWMBFGLXSA-N 252.427 2.948 0 30 CFAC Cc1nc(-c2ccc(Br)cc2)n(C)c1C(=O)O 84202138 CAXJMGDTVHITTL-UHFFFAOYSA-N 295.136 2.856 0 30 CFAC CCOC(=O)c1ccc(C[C@H](C)COC(C)=O)cc1 39117805 RULLOHUMLOJTKA-NSHDSACASA-N 264.321 2.605 0 30 CFAC O=S(=O)(Cl)c1cccc(Cl)c1OC(F)F 396156007 HJMGMGMJFFGZCC-UHFFFAOYSA-N 277.075 2.869 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C2(CCCCC2)C1 328579634 SRGGDRNFTIRXQP-NSHDSACASA-N 283.368 2.888 0 30 CFAC CSc1nc2ccccc2c(=O)n1CC(=O)C(C)(C)C 69159 IQFABSJWKDIAJO-UHFFFAOYSA-N 290.388 2.734 0 30 CFAC CC(C)N[C@@H]1COc2cc(Br)ccc21 87015755 JZLPMPZTYSYAGA-SNVBAGLBSA-N 256.143 2.881 0 30 CFAC COc1cc(OCc2ccccc2)cc(C(=O)O)c1 39259999 SYBXNDVVWNSKKF-UHFFFAOYSA-N 258.273 2.972 0 30 CFAC CCCc1c(C)nc(SCC(=O)C(C)(C)C)[nH]c1=O 18178407 CFZWSESTDJEFOM-UHFFFAOYSA-N 282.409 2.738 0 30 CFAC Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CO 57349 RGJSDHXSAKMPNM-UHFFFAOYSA-N 258.273 2.957 0 30 CFAC in-vitro COC(=O)c1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1 105736 OIGSWYLSRXMRNX-UHFFFAOYSA-N 287.102 2.671 0 30 CFAC CN(C)C=C1OC(=O)C(C#N)=C1c1ccc(Cl)cc1 20404767 WVPVOFWFIWRJMZ-UHFFFAOYSA-N 274.707 2.577 0 30 CFAC CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)C(=O)O 115115794 OECFJFDCUFUXQV-JTQLQIEISA-N 271.357 2.887 0 30 CFAC CC(C)(C)OC(=O)N1C[C@H]2O[C@]2(c2ccccc2)C1 642882258 LBLJHKOVKAWICR-DOMZBBRYSA-N 261.321 2.531 0 30 CFAC Cc1nc(C)c(C(=O)O)c(-c2cccs2)c1C(=O)O 110211 ICZSZWFKBXSBAV-UHFFFAOYSA-N 277.301 2.823 0 30 CFAC Cc1ccnc(Nc2ccc(Cl)c(C(=O)O)c2)n1 61858490 BPZVDCIVFNYMOZ-UHFFFAOYSA-N 263.684 2.880 0 30 CFAC O=C(c1ccc(-c2ccccc2F)cc1)N1CCOCC1 111140 DGXXDZLNPWSGSR-UHFFFAOYSA-N 285.318 2.965 0 30 CFAC C[C@@]12CCCN1Cc1nnc(O)c3cc(F)cc4[nH]c2c1c43 1083672376 DENYZIUJOTUUNY-INIZCTEOSA-N 298.321 2.780 0 30 CFAC CC1(C)COCCN1C(=O)c1ccc(Cl)cc1 1028203 FYAWBIBFTYMUMI-UHFFFAOYSA-N 253.729 2.591 0 30 CFAC CC[C@H](CN)C(O)(c1ccccc1)c1ccccc1 5925683 GFNWHHPVGUTUOC-CQSZACIVSA-N 255.361 2.907 0 30 CFAC O=c1cccc(Br)n1Cc1ccccc1 38222737 RMTAYYHGGHUYDK-UHFFFAOYSA-N 264.122 2.659 0 30 CFAC C[C@H](c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O 521 RLWRMIYXDPXIEX-ZCFIWIBFSA-N 272.135 2.559 0 30 CFAC in-man CC(=O)O[C@H]1C[C@H]2CC[C@@H]([C@H]1Cc1ccccc1)N2C 38877993 OGPKDZFHCUWZQQ-NCOADZHNSA-N 273.376 2.644 0 30 CFAC Cn1cnnc1SCc1ccc(-c2csnn2)cc1 107284 INEYAULAJNUXBD-UHFFFAOYSA-N 289.389 2.626 0 30 CFAC Clc1cc2c(c(C[n+]3ccccc3)c1)OCOC2 139344 KHWLRAWQSWKUDA-UHFFFAOYSA-N 262.716 2.542 0 30 CFAC NC(=O)[C@@H]1CCC[C@@H]2c3cc(Cl)ccc3N[C@@H]12 40764125 NYORQUCSPQVLTE-KBVBSXBZSA-N 250.729 2.503 0 30 CFAC Cc1cc(C)c(C(=O)OC(C)(C)C)c(C(=O)O)c1 199914371 VTEODHYJQGQWQB-UHFFFAOYSA-N 250.294 2.957 0 30 CFAC CN1N=C(c2coc3ccccc23)C[C@]1(O)C(F)(F)F 114974 NEFXHOWZDFVIKM-LBPRGKRZSA-N 284.237 2.723 0 30 CFAC OCCN1CCc2ccccc2[C@H]1c1ccccc1 21993633 AFOUAOIZHNGJNH-QGZVFWFLSA-N 253.345 2.626 0 30 CFAC COc1ccc(CC(=O)c2ccc(CN)cc2)cc1 98180727 JVLWBFIYUUJOCO-UHFFFAOYSA-N 255.317 2.579 0 30 CFAC FC(F)(F)c1ccc2c(Br)[nH]nc2n1 585163835 FGNYSLMVYDTJFB-UHFFFAOYSA-N 266.020 2.739 0 30 CFAC Brc1ccc2c(c1)C1(CCC2)OCCO1 98180698 MSISAMBOQSDWQJ-UHFFFAOYSA-N 269.138 2.985 0 30 CFAC CC(C)(CO)NC(=S)Nc1ccc(F)c(Cl)c1 139807 LIXWMQWVMWMEQX-UHFFFAOYSA-N 276.764 2.536 0 30 CFAC O=C(c1ccco1)N1CCN(c2cccc3[nH]ccc23)CC1 135884 KPGKDRAVHHIWHR-UHFFFAOYSA-N 295.342 2.723 0 30 CFAC C[Si](C)(C[Si](C)(C)c1ccccn1)c1ccccn1 195850581 WZXVWYFOAXHQGL-UHFFFAOYSA-N 286.527 2.547 0 30 CFAC O=C(O)c1cn2cc(Cl)cc(C(F)(F)F)c2n1 585672359 BSXKCFSPUZHZCA-UHFFFAOYSA-N 264.590 2.705 0 30 CFAC CSC1=N/C(=C\c2ccccc2Cl)C(=O)N1N(C)C 77061 QDAACMMBTUCDDB-FLIBITNWSA-N 295.795 2.719 0 30 CFAC O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1Cl 24269 WXAFVRHIIVGONB-UHFFFAOYSA-N 271.707 2.881 0 30 CFAC N=C(NC(=O)c1cnccc1C(F)(F)F)c1ccccc1 20230401 FBPYILXFIFTSOY-UHFFFAOYSA-N 293.248 2.856 0 30 CFAC Nc1ccc(N2CCSCC2)c(C(F)(F)F)c1 37754383 VMCCQGCOXCXQPY-UHFFFAOYSA-N 262.300 2.841 0 30 CFAC Oc1ccc(-n2c(Br)cnc2Cl)cc1 259293077 JCZLNUMGCGFQGT-UHFFFAOYSA-N 273.517 2.994 0 30 CFAC Brc1ccc2c(c1)C1(CC2)COCOC1 2265382657 RFJLYGBRAUOKJO-UHFFFAOYSA-N 269.138 2.637 0 30 CFAC C[C@@]12C[C@H]3N[C@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1 536553485 JTXKOFRBDGVSQW-DZVNLGKHSA-N 270.420 2.880 0 30 CFAC Cc1ccccc1CN1C=C(C(N)=O)[C@H](C(F)(F)F)CC1 127040 NNVHRESDKVCPFU-CYBMUJFWSA-N 298.308 2.748 0 30 CFAC C/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccccc1 4321867 NCUCOMHROSPEOU-KRWDZBQOSA-N 279.386 2.866 0 30 CFAC Cn1c(CC(=O)c2ccccc2)nc2ccccc21 100362949 DYLCLDYOAHTSPW-UHFFFAOYSA-N 250.301 2.999 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@H]2c2ccccc21 101095936 ZJHFVSCJIQAGQF-WCQYABFASA-N 274.364 2.745 0 30 CFAC CC(C)(C)OC(=O)N1CCNC[C@H]1CCc1ccccc1 95752793 TWQTXPBZVUFRKT-OAHLLOKOSA-N 290.407 2.828 0 30 CFAC S=C1NC2=C(CCc3ccccc32)[C@@H](c2cccnc2)N1 159902 LDJMDFWIGNVNEN-OAHLLOKOSA-N 293.395 2.958 0 30 CFAC O=C(O)CCc1coc2cc(Br)ccc2c1=O 25756759 APDLNZPLTAFXMY-UHFFFAOYSA-N 297.104 2.573 0 30 CFAC CC(C)(C)OC(=O)c1ccc([C@@H](F)C(=O)O)cc1 66325822 VBJJVQLWCJAQDQ-SNVBAGLBSA-N 254.257 2.737 0 30 CFAC CSc1nc(N)n2nc(-c3ccc(Cl)cc3)cc2n1 95804 UVPJBOGWGZNTPK-UHFFFAOYSA-N 291.767 2.749 0 30 CFAC COC[C@@H](C)n1c(C(F)(F)F)nc2cc(N)ccc21 52852334 FBNUXQYPAQIIGR-SSDOTTSWSA-N 273.258 2.845 0 30 CFAC COc1cccc([C@H]2CNCCN2C(=O)OC(C)(C)C)c1 95642315 AXKHIQYXWCIOCE-CQSZACIVSA-N 292.379 2.577 0 30 CFAC CC(=O)Nc1cscc1S(=O)(=O)c1ccccc1 95990 GZJOUWPGNPHYCX-UHFFFAOYSA-N 281.358 2.539 0 30 CFAC O=C(O)CC1(CC(=O)NCc2ccncc2)CCCCC1 129634 WEPDJJVYPSJSOS-UHFFFAOYSA-N 290.363 2.513 0 30 CFAC C[C@H](N)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 238803344 DTKPKZJZDMQSQF-CMPLNLGQSA-N 250.342 2.600 0 30 CFAC Fc1cc(OCc2ccccc2)ccc1-c1nnn[nH]1 95185827 ZAQYAXZIMYMSLR-UHFFFAOYSA-N 270.267 2.585 0 30 CFAC COc1ccc(CN2Cc3ncsc3C2)c(OC)c1 95725470 BQAUHNLFJGGNSP-UHFFFAOYSA-N 276.361 2.676 0 30 CFAC O[C@]1(c2ccccc2)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C3(F)F 252428744 YEEPAVCGRNCSTQ-FJJZPDTMSA-N 274.310 2.897 0 30 CFAC CC(C)(C)OC(=O)N1CC(C)(C)C(N)C(C)(C)C1 218243495 POULDLGIUYUPGX-UHFFFAOYSA-N 256.390 2.617 0 30 CFAC Cc1ccsc1CNS(=O)(=O)c1ccccc1 147834 SHWJTMQZRWGXSG-UHFFFAOYSA-N 267.375 2.535 0 30 CFAC CC(C)(C)OC(=O)N1CCNCC12CCCCC2 95642298 YOCVLCXUWAQDSN-UHFFFAOYSA-N 254.374 2.530 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)CC[C@H]2C1 96897124 MNWQGQXNDLLERG-QWRGUYRKSA-N 253.342 2.613 0 30 CFAC COc1ccc(-c2cc(=O)oc3cc(O)ccc23)cc1O 13340699 XJDROYOXULNAIQ-UHFFFAOYSA-N 284.267 2.880 0 30 CFAC Cc1nc2c(Br)ccc(C(F)(F)F)n2n1 953052134 UZPJOODGDPECPQ-UHFFFAOYSA-N 280.047 2.819 0 30 CFAC CCCCNCC(=O)Nc1c(C)cccc1Cl 1841441 VWYQKFLLGRBICZ-UHFFFAOYSA-N 254.761 2.977 0 30 CFAC in-man Cc1cccc(Cn2c(=O)oc3cc(N)ccc32)c1 11632557 FQVDGJGZWJNQGJ-UHFFFAOYSA-N 254.289 2.533 0 30 CFAC CC[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)c1ccccc1 19278361 PPPZIKYQTYHWJF-OLZOCXBDSA-N 295.404 2.503 0 30 CFAC O=C(Nc1ccc(C(F)(F)F)cc1)c1ccno1 121730 VGEIVBBLSHWPTQ-UHFFFAOYSA-N 256.183 2.946 0 30 CFAC N=C(N)c1ccc(-c2cc3cc(C(=N)N)ccc3o2)cc1 6093368 JRXHEVUXNLGIOP-UHFFFAOYSA-N 278.315 2.668 0 30 CFAC CC(C)(C)OC(=O)NC(=O)OCc1ccccc1 82028037 BNWSMJIOBMXAJH-UHFFFAOYSA-N 251.282 2.848 0 30 CFAC CC(=O)Nc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1 100244431 HVWJLKMSOKDDPD-UHFFFAOYSA-N 297.310 2.806 0 30 CFAC CC(C)(O)C(C)(C)OB(O)c1cccc(-c2ccccc2)c1 205434447 YRJMYSMIQFRWPX-UHFFFAOYSA-N 298.191 2.607 0 30 CFAC O=C(O)[C@@](O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F 43465308 QNEJIPULAWNNJF-QMMMGPOBSA-N 289.036 2.828 0 30 CFAC CCOC(=O)c1sc(N)nc1-c1cccc(C)c1 82316357 ULQOGYUCWYNMLT-UHFFFAOYSA-N 262.334 2.877 0 30 CFAC Nc1cc(Cl)ccc1Oc1ccc(S(=O)(=O)O)cc1 223633669 RPVWYQSMASXFGT-UHFFFAOYSA-N 299.735 2.961 0 30 CFAC CC(C)(C)OC(=O)N1CCN[C@H](c2cc(F)ccc2F)C1 71652495 FFGIKYZKXQYOOG-ZDUSSCGKSA-N 298.333 2.846 0 30 CFAC Cc1ccc(/C=C2/N=C(c3ccccc3)NC2=O)o1 160456 STVFHONIEWQCGA-UKTHLTGXSA-N 252.273 2.506 0 30 CFAC Cc1cc(Br)ccc1O[C@@H](C)C(=O)O 11962881 SFQXCTBXCLEXQM-ZETCQYMHSA-N 259.099 2.609 0 30 CFAC O=S(=O)(Cc1ccccc1F)c1cccs1 96557 OWFBYVGKPDFMRR-UHFFFAOYSA-N 256.323 2.861 0 30 CFAC CC(=O)O[C@H]1C[C@H](C(C)(C)C)CC[C@H]1OC(C)=O 196530974 CYCAUWWXYWATRT-UPJWGTAASA-N 256.342 2.696 0 30 CFAC O=[S@@](O)c1ccc(Oc2ccc([S@](=O)O)cc2)cc1 34204034 IVDBWPHJJWSQES-UHFFFAOYSA-N 298.341 2.640 0 30 CFAC in-vitro Cc1cccc(C)c1OC(=O)NCCN1CCCCC1 1995401 GYDPFISAKJUDCD-UHFFFAOYSA-N 276.380 2.878 0 30 CFAC CN(C)c1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1 131665 VWEPPKRDYZWRHT-UHFFFAOYSA-N 296.370 2.618 0 30 CFAC CC(=O)c1sccc1NC(=O)CC(C)(C)CC(=O)O 118212 PAJGEVOTEJPDMX-UHFFFAOYSA-N 283.349 2.780 0 30 CFAC O=C(O)C[C@@H](NC(=O)OCc1ccccc1)C1CCCC1 38580579 FMIKMSRUBZWIBB-CQSZACIVSA-N 291.347 2.946 0 30 CFAC Oc1nc2cc3cc(C(F)(F)F)cnc3cc2[nH]1 2265385732 KWIXFPFJYFAVTM-UHFFFAOYSA-N 253.183 2.836 0 30 CFAC CN(C)c1c(F)cc(C(=O)NCc2ccccc2)cc1F 138804 UPYNXALZZLEKIC-UHFFFAOYSA-N 290.313 2.961 0 30 CFAC CSC[C@H](CC(=O)c1ccc(C)cc1)C(=O)O 138693323 WRIZBWMOURRWRW-NSHDSACASA-N 252.335 2.632 0 30 CFAC O=C(OCCOCCOc1ccccc1)c1ccccc1 6095815 TZHGOJUYMUTMTF-UHFFFAOYSA-N 286.327 2.939 0 30 CFAC CC(C)(C)[C@](O)(Cc1ccccc1Cl)Cn1cncn1 34078155 DETXAJGVVCIVAK-HNNXBMFYSA-N 293.798 2.951 0 30 CFAC CCOC(=O)c1cccc(-c2cnc([C@@H]3CCCN3)cn2)c1 606241625 JSJCVLASCCCGAO-AWEZNQCLSA-N 297.358 2.745 0 30 CFAC CC[C@@H](CCC(C)=O)COC(=O)CCCCC(=O)O 5922860 XLMWFRRVVDGMRV-LBPRGKRZSA-N 272.341 2.570 0 30 CFAC O=C(O)[C@@H](Cc1ccccc1)C(=O)Oc1cccs1 238790207 NUQZNPUGPUCYJL-LLVKDONJSA-N 276.313 2.597 0 30 CFAC O=C(NC[C@@H](O)c1ccccc1)Nc1cccs1 152427 UQUUSGXIFCPNHR-LLVKDONJSA-N 262.334 2.603 0 30 CFAC FC(F)(F)c1cccc(CNC2=NCCS2)c1 20586345 NXFOBXJAZZAGPB-UHFFFAOYSA-N 260.284 2.898 0 30 CFAC CC(C)(C)OC(=O)N1CCC(CN)(C2CCC2)CC1 309869737 PUGLENPPRJYVKE-UHFFFAOYSA-N 268.401 2.763 0 30 CFAC CCOC(=O)c1cc(C)cc(Br)c1N 37475453 JWLQBNSDENZEGI-UHFFFAOYSA-N 258.115 2.516 0 30 CFAC in-vitro C(\Oc1ncnc2sc3c(c12)CCCC3)=C1\N=NNO1 39140621 XVSMUSYOXPMBSB-WEVVVXLNSA-N 289.320 2.650 0 30 CFAC Cc1cc(-c2noc([C@H]3CCCCN3)n2)ccc1F 37734554 MXGPPLYRPQDMOY-GFCCVEGCSA-N 261.300 2.999 0 30 CFAC CC(C)(N)COc1ncc(C(F)(F)F)cc1Cl 80801488 NXQRVHCODBHGKZ-UHFFFAOYSA-N 268.666 2.870 0 30 CFAC in-vitro O=C(Nc1ccc(-c2ccccn2)s1)N1CCOCC1 124958 PTQNJMYBYSAHDW-UHFFFAOYSA-N 289.360 2.674 0 30 CFAC Cc1nn(-c2ccccc2)nc1CNC(=O)CC(C)(C)C 1034890 NSZALLLCQPEQFA-UHFFFAOYSA-N 286.379 2.628 0 30 CFAC COc1c(O)cc(O)c2c1O[C@@H](c1ccccc1O)CC2 263583974 GZFXEDNFTKIKJW-CQSZACIVSA-N 288.299 2.878 0 30 CFAC O=C(O)c1ccc(OCc2ccccc2)c2c1OCCO2 39373693 NYUOYBBDYFPVSL-UHFFFAOYSA-N 286.283 2.735 0 30 CFAC COCCN(C(=O)OC(C)(C)C)c1ccnc(Cl)n1 147908975 TZELPYPMEFLGLS-UHFFFAOYSA-N 287.747 2.518 0 30 CFAC CC(C)(C)OC(=O)N[C@H](C[C@@H]1CC=CCC1)C(=O)O 44294818 PABLWCRQESJOMP-GHMZBOCLSA-N 269.341 2.711 0 30 CFAC O[C@]1(C(F)(F)F)CC(c2ccc3c(c2)CCCC3)=NN1 114697 JGTIGAHJGZJYJD-ZDUSSCGKSA-N 284.281 2.514 0 30 CFAC CCCCCCC1=C[C@H](NC#N)C(C)=C[C@H]1NC#N 96346877 YGDZVBSMCUIXMN-LSDHHAIUSA-N 258.369 2.722 0 30 CFAC Cc1csc2ncnc(N3C[C@H](C)O[C@H](C)C3)c12 17967230 FSQNVOAXKORLCC-AOOOYVTPSA-N 263.366 2.613 0 30 CFAC CC(C)(C(=O)O)c1cc(F)ccc1Br 84623719 NVYAJHUUOSUSGC-UHFFFAOYSA-N 261.090 2.950 0 30 CFAC CCOC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1 13656736 JHVGPAYXGRYBBI-UHFFFAOYSA-N 256.714 2.968 0 30 CFAC CC(C)(C)OC(=O)NC12C[C@H]3C[C@@H](CC(N)(C3)C1)C2 217848800 ORXKBGARESRNIZ-WZWWUGBPSA-N 266.385 2.561 0 30 CFAC CC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C 141401 INVDXUGQXKHWLB-UHFFFAOYSA-N 253.664 2.571 0 30 CFAC COc1ccc(C(=O)CC(=O)Nc2ccccc2)cc1OC 161489 PQJOVDWPTGIZOS-UHFFFAOYSA-N 299.326 2.915 0 30 CFAC Cc1ccc(S(=O)(=O)/N=c2/ccc3ccccc3[nH]2)cc1 152071 XFJJGEIKODBFGJ-UHFFFAOYSA-N 298.367 2.766 0 30 CFAC NCCNc1ncnc2scc(-c3ccccc3)c12 4299566 MCFWVXGQIGJYOG-UHFFFAOYSA-N 270.361 2.729 0 30 CFAC c1ccc2c(-c3nnc(CN4CCOCC4)o3)cccc2c1 19925050 CVXZTQQSNKUCPP-UHFFFAOYSA-N 295.342 2.722 0 30 CFAC CCNS(=O)(=O)c1ccccc1-c1ccccc1 74011845 KPNRGEOUMVMOJB-UHFFFAOYSA-N 261.346 2.652 0 30 CFAC CC(C)(CNC1CCCC1)OC(=O)c1ccc(N)cc1 1995934 IZFFWSZEIRBDDW-UHFFFAOYSA-N 276.380 2.736 0 30 CFAC O=c1[nH]ccc2cc(Br)c(Cl)cc12 116552729 GHVZZWBJRRTGHT-UHFFFAOYSA-N 258.502 2.944 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](N)c2ccc(F)cc21 105638488 QESNUEHFAWCRMV-LLVKDONJSA-N 266.316 2.971 0 30 CFAC O=C(O)C(F)(F)c1cccc(Br)c1F 236427448 GLNFHTCMNQUIOH-UHFFFAOYSA-N 269.016 2.765 0 30 CFAC IC12CC(C[C@@H]3CCOC3)(C1)C2 2265361407 HIMLWSMPLZFAMX-IDKOKCKLSA-N 278.133 2.771 0 30 CFAC COC(=O)c1sc(OC)cc1OC(=O)c1cccs1 116151 SIFRIRKTJNARIZ-UHFFFAOYSA-N 298.341 2.824 0 30 CFAC O=c1oc2cccnc2n1Cc1ccc(Cl)cc1 127061 XHUDTHBRNJKELW-UHFFFAOYSA-N 260.680 2.691 0 30 CFAC C[C@H](CO)N(C(=O)CF)c1cccc2ccccc12 2030940 LGFOVPIHNNPMNF-LLVKDONJSA-N 261.296 2.523 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1Cc1ccccc1 96981202 IIMHGRMKNJCCNO-KGLIPLIRSA-N 276.380 2.566 0 30 CFAC O=C(O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccccc1 382674706 LPMRHXFWNPQQEQ-DLBZAZTESA-N 297.354 2.713 0 30 CFAC CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)CCC[C@H]2C1 202667104 XBDUKKODGGWYIN-QWRGUYRKSA-N 253.342 2.613 0 30 CFAC O=C(Nc1ccc(Br)cn1)OCC(F)(F)F 32628815 DZVRSIIMXVMJNJ-UHFFFAOYSA-N 299.046 2.955 0 30 CFAC in-vitro CCCCC[C@@H](O)/C=C/I 34615378 KQDYMAYUKUZGDA-HYDMIIDASA-N 254.111 2.876 0 30 CFAC c1ccc(CN2C[C@@]34CCCC[C@@]3(CNC4)C2)cc1 757068375 KJMBUOZESIYYAR-CALCHBBNSA-N 256.393 2.652 0 30 CFAC CCOC(=O)c1cncn1[C@@H]1CCCc2ccccc21 2018949 MOAUPJJXPRLKFN-CQSZACIVSA-N 270.332 2.986 0 30 CFAC in-man CSc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100396276 RNKNPESGUCARBZ-BETUJISGSA-N 273.357 2.864 0 30 CFAC COc1cccc(OC(=O)c2ccccc2OC(C)=O)c1 38647691 NEPVYKZQDZUSFC-UHFFFAOYSA-N 286.283 2.840 0 30 CFAC CC1CC(=O)N(Cc2ccc(Cl)cc2)C(=O)C1 2154564 OLUBRQFSLWKAMH-UHFFFAOYSA-N 251.713 2.625 0 30 CFAC O=C(Oc1ccc2c(c1)CC[C@@H]2O)c1ccccc1 142634647 BYLOTVLXQLOEFG-HNNXBMFYSA-N 254.285 2.885 0 30 CFAC CC(C)(C)OC(=O)N1C[C@@H]2O[C@@]2(c2ccccc2)C1 642882260 LBLJHKOVKAWICR-SWLSCSKDSA-N 261.321 2.531 0 30 CFAC COC(=O)c1scc(C)c1NC(=O)C(C)(C)C 118218 LSGFAYGNSMJKDW-UHFFFAOYSA-N 255.339 2.828 0 30 CFAC Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]ccc2c1 155948 IVYRUNDEZKXYTG-UHFFFAOYSA-N 291.332 2.574 0 30 CFAC FC(F)(F)c1cc(Br)n2ncnc2c1 725247966 FNYJSQZUPDCQDP-UHFFFAOYSA-N 266.020 2.511 0 30 CFAC Cc1cnc([C@@H](O)C(F)(F)F)cc1Br 205387704 VXBVBIPROLZSHF-SSDOTTSWSA-N 270.048 2.748 0 30 CFAC CNc1ccc(Cl)cc1C(=O)NCc1ccco1 144251 NTWPMGZMUWQYMY-UHFFFAOYSA-N 264.712 2.905 0 30 CFAC CC(=O)Nc1nccc(-c2cc(-c3ccccc3)no2)n1 124061 OSZGNMXDUIRKKS-UHFFFAOYSA-N 280.287 2.757 0 30 CFAC CCOC(=O)c1sc(N)nc1-c1ccccc1C 82316359 JWBDPIPCTJKABS-UHFFFAOYSA-N 262.334 2.877 0 30 CFAC COc1cc(C)c2c(c1)oc(=O)c1c(O)cc(O)cc12 33848159 FLPWZLWQEISVJM-UHFFFAOYSA-N 272.256 2.674 0 30 CFAC O=C1COc2ccccc2N1C(=O)c1ccc(Cl)cc1 88438 OEKQRWBPFPSAPS-UHFFFAOYSA-N 287.702 2.906 0 30 CFAC O=Cc1c(-c2ccc([N+](=O)[O-])cc2)noc1Cl 96341646 OEXVLZNBPAVYII-UHFFFAOYSA-N 252.613 2.716 0 30 CFAC