smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nsnc2c1 217761417 SDRORYGSBFBCGT-FUNVUKJBSA-N 370.434 1.976 70 40 FDIB O=C(c1ccc2c(c1)OCO2)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217721357 BLTXOVGXHHLYHN-OKILXGFUSA-N 354.362 1.191 70 40 FDIB CCCCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216885408 BFNXIXJOEPOHBD-UHFFFAOYSA-N 367.515 1.684 70 40 FDIB CCOc1ccc(NC(=O)N2CCN(C)CC2)cc1S(=O)(=O)Cl 95698136 GOFMSUMDSSCVJS-UHFFFAOYSA-N 361.851 1.792 70 40 FDIB Cc1cccc(N2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)c1C 159867055 FGKZERBRVZBIME-INIZCTEOSA-N 365.499 1.712 70 40 FDIB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1S(=O)(=O)Cl 59254550 ZTKUYYJTQRWSSF-UHFFFAOYSA-N 353.683 1.816 70 40 FDIB in-vitro O=S(=O)(F)c1cc(S(=O)(=O)N2CCC(Cl)CC2)ccc1F 1776011175 GHEWHPLMZXHZQG-UHFFFAOYSA-N 359.803 1.876 70 40 FDIB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCCN(c2nccs2)C1 218191391 WPIASUAAIHQTOF-CYBMUJFWSA-N 369.516 1.688 70 40 FDIB CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216873986 PTUCBPDXJWSRKV-UHFFFAOYSA-N 373.906 1.758 70 40 FDIB O=c1ccccn1C[C@H](O)CNS(=O)(=O)c1cccc2ccccc12 218477274 HNFOKZAWVFVIKS-OAHLLOKOSA-N 358.419 1.341 70 40 FDIB CCOc1ccc(Cn2cc([C@H]3SCC(=O)N3CCOC)nn2)cc1 216688283 MSCNZFIOTZTSJH-QGZVFWFLSA-N 362.455 1.946 70 40 FDIB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cn1 217973338 HCZNCOPYZVDNPD-UHFFFAOYSA-N 374.426 1.001 70 40 FDIB O=C(Cc1ccc(Br)cc1)N1CC(N2C(=O)CSC2=O)C1 217745752 HAQFCKVMBJARKE-UHFFFAOYSA-N 369.240 1.898 70 40 FDIB Cc1nc(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)cn1C 217872454 AFCHDQZCHTZVSJ-UHFFFAOYSA-N 360.443 1.274 70 40 FDIB COC(=O)c1ccc(CS(=O)(=O)NCCC2CCN(C)CC2)cc1 217017919 VDUSXOBKIJEMCH-UHFFFAOYSA-N 354.472 1.625 70 40 FDIB Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)no1 217843576 SAYWMRWMOKXXSQ-LBPRGKRZSA-N 354.370 1.918 70 40 FDIB COC(=O)CS[C@@H]1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 217562131 RWISNSWDFQQRHB-OAHLLOKOSA-N 350.440 1.695 70 40 FDIB CCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216866011 QLSGJVBBJZMJTP-UHFFFAOYSA-N 367.515 1.850 70 40 FDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@H]4C2=O)no1 217729711 FZVHAHMWMSEPNE-FHIHXZLISA-N 355.350 1.179 70 40 FDIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cccnc1 218011007 YVRLQIUACQNAGW-IBGZPJMESA-N 355.394 1.369 70 40 FDIB Cc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 217757333 VIQVTYJBQWFKFP-UHFFFAOYSA-N 366.414 1.593 70 40 FDIB CCCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216885107 LCOOBAMPTOXCCC-UHFFFAOYSA-N 353.488 1.294 70 40 FDIB O=c1ccccn1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 218477198 HNFOKZAWVFVIKS-HNNXBMFYSA-N 358.419 1.341 70 40 FDIB Cc1cc(OC2CN(S(=O)(=O)Cc3ccccc3F)C2)cc(=O)o1 217754121 DHDLWTUNXADMIP-UHFFFAOYSA-N 353.371 1.680 70 40 FDIB Cc1ncn(CC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c(=O)c1C 217537539 AGEUAZNIVOXKBE-UHFFFAOYSA-N 367.405 1.548 70 40 FDIB Cc1nc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cn1C 217825100 CNVBKLKPQDTXPH-LBPRGKRZSA-N 365.459 1.632 70 40 FDIB CCOc1ccc(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cc1 217677276 ZNZIZLYFFBTAKP-MQVJKMGUSA-N 366.483 1.699 70 40 FDIB O=C(c1ccc2nc[nH]c2c1)N1Cc2cnc(N3CCOCC3)nc2C1 217612216 PZADISSCSKBHCZ-UHFFFAOYSA-N 350.382 1.346 70 40 FDIB O=C(c1cc(-c2ccco2)[nH]n1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217733639 UDNJIJXVDHVRAP-CHWSQXEVSA-N 366.377 1.445 70 40 FDIB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O 217877813 MSYVTVAXYXURHA-WFASDCNBSA-N 374.368 1.360 70 40 FDIB O=C(CCS(=O)(=O)c1ccccc1)NCCSC1CCOCC1 217702497 WRZBMVHWPWGOQZ-UHFFFAOYSA-N 357.497 1.879 70 40 FDIB COc1ccc(OC)c(S(=O)(=O)NCC[C@H](O)C2CCOCC2)c1 217925275 DTYUOIXKJQLIAR-AWEZNQCLSA-N 359.444 1.160 70 40 FDIB O=C(COc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217722299 MGIBUYODHRLXBR-IYBDPMFKSA-N 358.369 1.367 70 40 FDIB CS(=O)(=O)N[C@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 160831951 AGHCLHHRTKCYHC-HNNXBMFYSA-N 351.472 1.342 70 40 FDIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 216810515 XQZCNHYSRUMEGB-UHFFFAOYSA-N 353.488 1.216 70 40 FDIB C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ncc(C(C)(C)C)s1 160397141 TUFWDVMZDBVWSN-GHMZBOCLSA-N 360.501 1.898 70 40 FDIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)CSc1ccc(F)cc1)C2 217677897 YSVFHRIHIZUUCK-KBPBESRZSA-N 372.487 1.989 70 40 FDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cncc(Br)c2)C1 217563001 UFIVJEPLCKFCMV-LLVKDONJSA-N 359.245 1.965 70 40 FDIB COC(=O)c1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1 217539844 VWWNAUFDXHNQEN-AWEZNQCLSA-N 355.437 1.937 70 40 FDIB CCN1C[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C[C@@H]1C 1776007558 LLYWHXYIMFWKRW-RYUDHWBXSA-N 364.464 1.448 70 40 FDIB Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1cccc2nsnc12 217945070 BHXOUUZDRJOEMA-LBPRGKRZSA-N 352.441 1.432 70 40 FDIB CCOc1ccc(C)cc1S(=O)(=O)NCC[C@@H](O)C1CCOCC1 217924971 UICBXHLHSIZMHV-OAHLLOKOSA-N 357.472 1.850 70 40 FDIB Cc1cc(C(=O)NCCC2CCN(C)CC2)ccc1NS(C)(=O)=O 216944605 KWEBSMPVANZCJN-UHFFFAOYSA-N 353.488 1.828 70 40 FDIB CO[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007289 OZLNTYJNPXKLHU-MNOVXSKESA-N 351.421 1.533 70 40 FDIB Cn1cccc(C(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1=O 217638727 TYORMCMSTDELIQ-ZDUSSCGKSA-N 352.394 1.925 70 40 FDIB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216863152 IGQWPHUODZEZBQ-OAHLLOKOSA-N 367.515 1.850 70 40 FDIB O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccccc1SC(F)F 218440120 SHIILSVLQZUUSM-LLVKDONJSA-N 354.378 1.954 70 40 FDIB COC(=O)c1ccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1 217608401 GVMULWWQUOFCRW-UHFFFAOYSA-N 368.393 1.256 70 40 FDIB CSc1nc(Nc2ccc(C(N)=O)cc2)cc(N2CCN(C)CC2)n1 216852542 ZXAOFGNDNVJYPS-UHFFFAOYSA-N 358.471 1.793 70 40 FDIB O=C(c1cc(-c2cccnc2)[nH]n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217950941 ZYAZVIPARSJJAY-DZGCQCFKSA-N 361.405 1.893 70 40 FDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cccc(-n2cnnn2)c1 218196291 JFORSNHHRSHMLJ-UHFFFAOYSA-N 353.386 1.538 70 40 FDIB O=C(c1cc(-c2ccco2)[nH]n1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217733494 UDNJIJXVDHVRAP-BETUJISGSA-N 366.377 1.445 70 40 FDIB C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ncc(C(C)(C)C)s1 160396892 TUFWDVMZDBVWSN-MNOVXSKESA-N 360.501 1.898 70 40 FDIB CCOc1ccc(CC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1 217608525 FYNYCLSLOBTNOP-UHFFFAOYSA-N 368.437 1.797 70 40 FDIB NC(=O)NC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 104555397 HIFJFZSMVLIPEA-UHFFFAOYSA-N 362.369 1.978 70 40 FDIB in-vitro CN1CCC(CCNC(=O)c2ccccc2N(C)S(C)(=O)=O)CC1 216938691 WULOTYWADLCISC-UHFFFAOYSA-N 353.488 1.544 70 40 FDIB COCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95698371 KJQBIEGSQVUCFA-UHFFFAOYSA-N 350.824 1.741 70 40 FDIB O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217730873 OANCYRTZNFAPPU-IAGOWNOFSA-N 363.417 1.803 70 40 FDIB O=C(CCCNc1ncccn1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217866416 NWNOAPJSKJYOJG-LSDHHAIUSA-N 353.426 1.476 70 40 FDIB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1cccc2nsnc12 217927234 CULWHIRYGKUDDM-GFCCVEGCSA-N 357.457 1.147 70 40 FDIB CCCNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1 216840008 OVLYRUHZLITMOB-UHFFFAOYSA-N 367.515 1.518 70 40 FDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccnc1 216862124 CPJHRMKCQDAAKZ-UHFFFAOYSA-N 374.466 1.578 70 40 FDIB CCOc1ccc(C)cc1S(=O)(=O)NCC[C@H](O)C1CCOCC1 217924895 UICBXHLHSIZMHV-HNNXBMFYSA-N 357.472 1.850 70 40 FDIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1cccnc1 218011086 YVRLQIUACQNAGW-LJQANCHMSA-N 355.394 1.369 70 40 FDIB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216856740 YKMPCAPAAKWKKB-UHFFFAOYSA-N 353.488 1.461 70 40 FDIB Nc1ccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1 100454806 ULUUEIYIGJBZEB-UHFFFAOYSA-N 358.416 1.448 70 40 FDIB CN1CCC(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 216811040 WIKKZJPIKKJOOI-UHFFFAOYSA-N 373.906 1.312 70 40 FDIB CN(C)C1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1 1776011165 DQOVUWXPMZXLLS-UHFFFAOYSA-N 368.427 1.199 70 40 FDIB Cc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCN(C)CC1 216855817 BMRUERZOFXZOSK-UHFFFAOYSA-N 374.466 1.578 70 40 FDIB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 217738400 QEMHKVFNMZWADB-CALCHBBNSA-N 374.462 1.194 70 40 FDIB Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216853707 UYZPTOFUSBEVDR-UHFFFAOYSA-N 351.472 1.167 70 40 FDIB CSCC[C@H](NC(=O)[C@@H]1CC(=O)OC1(C)C)c1nnc2ccccn12 218296574 ISBSNXCMSPGCII-RYUDHWBXSA-N 362.455 1.981 70 40 FDIB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216853434 FBMWFUBPKBZTIF-AWEZNQCLSA-N 353.488 1.459 70 40 FDIB Cc1cn2nc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2c(=O)[nH]1 217474198 CPKTYVOCBIIUCB-UHFFFAOYSA-N 366.425 1.335 70 40 FDIB Cc1cc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc(=O)n1C 217776354 HINUEQPTEIRXFT-UHFFFAOYSA-N 357.410 1.076 70 40 FDIB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1 216839094 YNSJTDNSJQVJCW-UHFFFAOYSA-N 367.515 1.516 70 40 FDIB COc1cc2ncn(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)c(=O)c2cc1OC 218093380 XPGCLSMKYDFJLA-MCIONIFRSA-N 369.421 1.742 70 40 FDIB Cc1nc2ccccn2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217608296 WRAOHDYIESBAHT-UHFFFAOYSA-N 364.409 1.425 70 40 FDIB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC[C@@H](O)C1CCOCC1 217927023 VKUGQJDBCVRCNX-OAHLLOKOSA-N 359.492 1.537 70 40 FDIB Cn1c(=O)oc2ccc(S(=O)(=O)NCCSC3CCOCC3)cc21 217711034 YNRUKXINUDMQMM-UHFFFAOYSA-N 372.468 1.322 70 40 FDIB Cc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216853510 XZEDYGPRMORASU-UHFFFAOYSA-N 353.488 1.317 70 40 FDIB CCC(=O)Nc1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1OC 216842573 JVJARCZMVDDOAS-UHFFFAOYSA-N 355.460 1.416 70 40 FDIB O=S(=O)(Cl)c1cn(CC(F)(F)F)nc1I 408717602 JVLHFJAWBKDOFP-UHFFFAOYSA-N 374.509 1.978 70 40 FDIB O=S(=O)(c1cccnc1)N1CCN(Cc2ccc3cn[nH]c3c2)CC1 159863731 KMCLPPXATPNAHO-UHFFFAOYSA-N 357.439 1.464 70 40 FDIB C[C@@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217721714 HTNDDOLHEQGGHW-XYPHTWIQSA-N 354.406 1.616 70 40 FDIB COC1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1 1776011168 FQIUFPYUVDAUNE-UHFFFAOYSA-N 355.384 1.283 70 40 FDIB Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC[C@H](O)C1CCOCC1 217926939 VKUGQJDBCVRCNX-HNNXBMFYSA-N 359.492 1.537 70 40 FDIB CCOc1cccc(Cn2cc([C@@H]3SCC(=O)N3CCOC)nn2)c1 216689132 CZJBLRXBURDWRE-KRWDZBQOSA-N 362.455 1.946 70 40 FDIB C[C@H](C(=O)NCCC1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O 216936839 KVLAALRFGIPOIM-OAHLLOKOSA-N 367.515 1.689 70 40 FDIB O=c1ccccn1C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 218473432 MFMHSLQPUAMRLD-MRXNPFEDSA-N 362.451 1.067 70 40 FDIB Cc1cc(OC2CN(C(=O)CNC(=O)OCc3ccccc3)C2)cc(=O)o1 217752004 NMRHFLMUPJCZJA-UHFFFAOYSA-N 372.377 1.464 70 40 FDIB O=C(NCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 217699787 QJVCMAQKERMFRA-GOEBONIOSA-N 351.406 1.224 70 40 FDIB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 217892217 NUEVDVDBVVCZGG-VNQPRFMTSA-N 361.442 1.063 70 40 FDIB biogenic O=C1CSC(=O)N1C1CCN(S(=O)(=O)CCc2ccccc2)CC1 217791597 GUHBSQIRVQHSSE-UHFFFAOYSA-N 368.480 1.719 70 40 FDIB CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O 217789845 OLWTUXUGROFADF-KWCYVHTRSA-N 351.403 1.003 70 40 FDIB biogenic CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216863176 IGQWPHUODZEZBQ-HNNXBMFYSA-N 367.515 1.850 70 40 FDIB CCN1CCN(C(=O)NCCn2ccc(-c3ccsc3)n2)C(=O)C1=O 217891450 NYOBMGBOHRKKHU-UHFFFAOYSA-N 361.427 1.012 70 40 FDIB C[C@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217721802 HTNDDOLHEQGGHW-JQFCIGGWSA-N 354.406 1.616 70 40 FDIB COc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217436754 SYUDRJAFDXATKU-BBWFWOEESA-N 370.449 1.716 70 40 FDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)no1 217729831 KUCXECHSLQLWLB-PYQAKABTSA-N 365.389 1.586 70 40 FDIB CO[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007290 OZLNTYJNPXKLHU-QWRGUYRKSA-N 351.421 1.533 70 40 FDIB COc1cc(CN[C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)ccc1OCC(N)=O 217935968 HWSAZFPMIIIAMM-FYXYJPLOSA-N 360.454 1.733 70 40 FDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccco3)[C@H]4C2=O)no1 217729638 FZVHAHMWMSEPNE-TXPWEPMLSA-N 355.350 1.179 70 40 FDIB Cc1nc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cn1C 217825018 CNVBKLKPQDTXPH-GFCCVEGCSA-N 365.459 1.632 70 40 FDIB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc(F)c(Cl)c1 217924549 VYBKHIWZZTUBBI-CQSZACIVSA-N 351.827 1.935 70 40 FDIB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Cl 100649847 VCAVFITXENDFGW-UHFFFAOYSA-N 367.832 1.325 70 40 FDIB CCOc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)cc1F 217749604 ULCHPAPUUWDFRD-UHFFFAOYSA-N 374.415 1.293 70 40 FDIB O=C(Cn1nnc2ccccc21)N1CCC(N2C(=O)CSC2=O)CC1 217791387 CETJSNOYHWYCRF-UHFFFAOYSA-N 359.411 1.118 70 40 FDIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCC2CCN(C)CC2)cc1 216942210 VUSQZJDCRYAUHS-UHFFFAOYSA-N 367.515 1.934 70 40 FDIB CCN1C[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C[C@H]1C 1776007559 LLYWHXYIMFWKRW-VXGBXAGGSA-N 364.464 1.448 70 40 FDIB CN1CCC(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 216897988 YDROXKQTLCFIGP-UHFFFAOYSA-N 365.499 1.558 70 40 FDIB Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)s1 217766385 BCCCGGDYUMBGDO-RYUDHWBXSA-N 368.480 1.890 70 40 FDIB COC(=O)[C@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F 670422559 QDLLLVOAHLZGQN-VKHMYHEASA-N 358.134 1.889 70 40 FDIB O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217722689 OUSVEQBIOGFUFT-KBPBESRZSA-N 362.389 1.405 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351.472 1.168 70 40 FDIB Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216857024 IZQOHWODMMIKHE-UHFFFAOYSA-N 367.515 1.707 70 40 FDIB O=C(Cc1c[nH]c2ccccc12)N1Cc2cnc(N3CCOCC3)nc2C1 217614091 JYKYXAQTXQAUDN-UHFFFAOYSA-N 363.421 1.879 70 40 FDIB O=C(Cn1cnc2ccccc21)N1Cc2cnc(N3CCOCC3)nc2C1 217613224 FVTMSFKLCQZZPP-UHFFFAOYSA-N 364.409 1.205 70 40 FDIB COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1C(C)C 217036317 DGQUSPCOPNMDAU-UHFFFAOYSA-N 369.531 1.734 70 40 FDIB CN1CCC(CCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 216937989 UVYACPADNTZDLW-UHFFFAOYSA-N 371.478 1.440 70 40 FDIB COC(=O)CS[C@H]1CCN(C(=O)c2cncc(Br)c2)C1 217563074 UFIVJEPLCKFCMV-NSHDSACASA-N 359.245 1.965 70 40 FDIB CCS(=O)(=O)Nc1ccc(C(=O)NCCC2CCN(C)CC2)cc1 216945226 GEULCJSTXVEJHY-UHFFFAOYSA-N 353.488 1.910 70 40 FDIB COc1ccc(CCS(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1 217925164 HOJICSQOMNUCMR-QGZVFWFLSA-N 357.472 1.335 70 40 FDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@H]4C2=O)no1 217716739 YXXDMSFDKVXIHG-UEABVUSTSA-N 351.362 1.908 70 40 FDIB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 216816523 JRPMIJCHQNZKEC-LLVKDONJSA-N 359.879 1.217 70 40 FDIB O=C(N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C1(n2cnnn2)CCCCC1 217999799 ISCIDHBHTCRDOQ-LSDHHAIUSA-N 368.441 1.140 70 40 FDIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)(C)C 216786255 DYGJAMOLEZLVRL-UHFFFAOYSA-N 369.487 1.160 70 40 FDIB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216873661 BBJSZZOSCGNVOW-LBPRGKRZSA-N 373.906 1.804 70 40 FDIB CSc1ncccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217722093 QXRBJXKWWOVPOG-STQMWFEESA-N 357.435 1.579 70 40 FDIB Cc1ccc(OCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 218326507 KCJLEZCDWMOGFZ-UHFFFAOYSA-N 374.418 1.335 70 40 FDIB O=C(NC[C@H](O)Cn1ccccc1=O)c1ccccc1OC(F)(F)F 218445619 WWZKDJPHCVSQEN-NSHDSACASA-N 356.300 1.538 70 40 FDIB Cc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216853474 QTDBOMMBOIZKRN-UHFFFAOYSA-N 353.488 1.459 70 40 FDIB CCN1C[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C[C@H]1C 1776007556 LLYWHXYIMFWKRW-NEPJUHHUSA-N 364.464 1.448 70 40 FDIB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCC1CCN(C)CC1 216944135 VVMGJEKJRGFFHM-UHFFFAOYSA-N 353.488 1.828 70 40 FDIB O=C(CN1Cc2ccccc2C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218085908 YPNFUQLHLFHKEL-GOEBONIOSA-N 363.417 1.450 70 40 FDIB Cc1cc(OC2CN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc(=O)o1 217751085 QYSGYLSJDQOPEG-UHFFFAOYSA-N 353.330 1.958 70 40 FDIB Cn1ncc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1-n1cccc1 217991008 OPHPVBDJVJKXIS-LSDHHAIUSA-N 363.421 1.632 70 40 FDIB COc1ccc(N2C(=O)N[C@@H](CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1 218006540 JLJRYCOYGYGQGF-LOUJCGABSA-N 369.421 1.839 70 40 FDIB COC(=O)CS[C@H]1CCN(C(=O)Cn2c(=O)oc3ccccc32)C1 217556954 AGRXGEQFBJZHIG-NSHDSACASA-N 350.396 1.102 70 40 FDIB CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 217750467 VCVBPHQYHNRCOX-VNQPRFMTSA-N 361.442 1.410 70 40 FDIB biogenic CNC(=O)c1cc(S(=O)(=O)NCCC2CCN(C)CC2)ccc1OC 216949639 CEZWNAYTAKQARF-UHFFFAOYSA-N 369.487 1.065 70 40 FDIB O=C(COc1ccc(S(=O)(=O)Cl)cc1Cl)N1CCOCC1 100010178 OHJLHHZMWMUEHR-UHFFFAOYSA-N 354.211 1.505 70 40 FDIB CC(=O)OC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217847361 JJRWXNHPACBKLM-ZDUSSCGKSA-N 373.413 1.649 70 40 FDIB O=C1CCc2cc(S(=O)(=O)N3CCc4oncc4C3)cc3c2N1CC3 217695445 SGFMBJUCEKAXIQ-UHFFFAOYSA-N 359.407 1.257 70 40 FDIB CN1CCN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1 216943665 RMLGODPKPHPYQM-UHFFFAOYSA-N 367.515 1.524 70 40 FDIB CCN1C[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C[C@@H]1C 1776007557 LLYWHXYIMFWKRW-NWDGAFQWSA-N 364.464 1.448 70 40 FDIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 216877084 DJSBTKNPTOZVSF-UHFFFAOYSA-N 357.863 1.168 70 40 FDIB O=C(CSC1CCCC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218629006 UGSZTDSYKBJBQE-UHFFFAOYSA-N 373.486 1.382 70 40 FDIB COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)cc1 217944587 WIXKLBNNETZMMZ-OAHLLOKOSA-N 367.427 1.605 70 40 FDIB CC(C)CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216873787 OPPIFMYJPWFDPA-UHFFFAOYSA-N 373.906 1.662 70 40 FDIB CCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2CCOC)nn1 216689019 YIIMMGZOQGWEDC-KRWDZBQOSA-N 362.455 1.946 70 40 FDIB Cn1cccc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1=O 217638802 TYORMCMSTDELIQ-CYBMUJFWSA-N 352.394 1.925 70 40 FDIB CO[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007288 OZLNTYJNPXKLHU-GHMZBOCLSA-N 351.421 1.533 70 40 FDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)(C)C 216860269 PEVMYMFXOKKQCL-UHFFFAOYSA-N 353.488 1.459 70 40 FDIB O=C(NCc1cc(Br)no1)c1cc(S(=O)(=O)F)c[nH]1 1141041129 ILDJFHLJIWCZBR-UHFFFAOYSA-N 352.141 1.353 70 40 FDIB O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217730789 OANCYRTZNFAPPU-IRXDYDNUSA-N 363.417 1.803 70 40 FDIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1 216812772 UJVVUEFPFZNYTO-UHFFFAOYSA-N 357.451 1.047 70 40 FDIB O=C(c1ccccc1Br)N1CC(N2C(=O)CSC2=O)C1 217746656 AKLUBJPPNLKTQP-UHFFFAOYSA-N 355.213 1.969 70 40 FDIB CS(=O)(=O)N[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 160831821 AGHCLHHRTKCYHC-OAHLLOKOSA-N 351.472 1.342 70 40 FDIB CSc1ncccc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217722003 QXRBJXKWWOVPOG-BETUJISGSA-N 357.435 1.579 70 40 FDIB COc1ccc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1Cl 217925536 NXZCXRQUMQDTKV-CQSZACIVSA-N 363.863 1.805 70 40 FDIB CN1CCC(CCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 216938594 PMKSCGVKYWMFBR-UHFFFAOYSA-N 353.488 1.544 70 40 FDIB O=C1[C@H]2[C@H]3[C@@H]4[C@H]5[C@H]([C@@H]2C2(OCCO2)[C@]35Br)[C@]14Br 217406604 GABJUTVSUROVBC-FITOZISESA-N 362.017 1.331 70 40 FDIB CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216856954 NZGFNPQMCMYBHO-UHFFFAOYSA-N 367.515 1.851 70 40 FDIB Cc1cccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1 216934150 NOUMDNLJLUJIHI-UHFFFAOYSA-N 367.515 1.609 70 40 FDIB CCOc1ccccc1Cn1cc([C@H]2SCC(=O)N2CCOC)nn1 216689067 YIIMMGZOQGWEDC-QGZVFWFLSA-N 362.455 1.946 70 40 FDIB CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216857059 OSCFXXQESLHQRI-OAHLLOKOSA-N 367.515 1.850 70 40 FDIB Cc1ccn2c(=O)cc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)nc2c1 217560347 GMVQCIQHXPGFRJ-JKSUJKDBSA-N 362.433 1.784 70 40 FDIB O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H]1CC[C@H](Cn2cnnn2)CC1 218146311 ZXOPOVBHNLIGKC-GRYCIOLGSA-N 363.447 1.821 70 40 FDIB O=C(Cn1cccn1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 217489447 BJUCUNXULDHBNM-UHFFFAOYSA-N 361.365 1.953 70 40 FDIB O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 217789804 GXZMPJDZESDQBQ-SNVBAGLBSA-N 360.844 1.798 70 40 FDIB O=C(CCc1nnc2ccc(Cl)nn12)N[C@H](CO)Cc1ccccc1 218562458 LPQYIHFGTKCAQJ-ZDUSSCGKSA-N 359.817 1.430 70 40 FDIB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2CCN(C)CC2)cc1 217014081 OJESPKSTVAUREG-UHFFFAOYSA-N 367.515 1.464 70 40 FDIB O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1 95713290 HDPRVQJRZUJZPT-UHFFFAOYSA-N 373.644 1.469 70 40 FDIB O=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)C1CCOCC1 217920210 BHERXNYWNUNMMW-INIZCTEOSA-N 355.456 1.144 70 40 FDIB CN1CCC(CCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 216935735 FXCKSGDQNJXTFQ-UHFFFAOYSA-N 371.478 1.440 70 40 FDIB CSc1ncccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 217676726 JWIVUYCFNOTBEP-YOGCLGLASA-N 355.485 1.488 70 40 FDIB Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c(C)c1 216934364 UKPROSFXXGXVSM-UHFFFAOYSA-N 353.488 1.280 70 40 FDIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216934258 URZRUIPKIAJJDI-UHFFFAOYSA-N 367.515 1.609 70 40 FDIB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216873613 BBJSZZOSCGNVOW-GFCCVEGCSA-N 373.906 1.804 70 40 FDIB CCOc1ccc(Cn2cc([C@@H]3SCC(=O)N3CCOC)nn2)cc1 216688233 MSCNZFIOTZTSJH-KRWDZBQOSA-N 362.455 1.946 70 40 FDIB CN(C)c1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1 217608094 JNHKSUXZKAKPOC-UHFFFAOYSA-N 353.426 1.535 70 40 FDIB COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1 217539926 VWWNAUFDXHNQEN-CQSZACIVSA-N 355.437 1.937 70 40 FDIB CN1CCC[C@@H](C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 216911322 JRYDNIYPOVTXJE-CQSZACIVSA-N 351.472 1.168 70 40 FDIB CCCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216863042 LZXONYCSSHASPG-UHFFFAOYSA-N 367.515 1.851 70 40 FDIB O=C(Cc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218008207 FGFPRIHPLWORQS-DOTOQJQBSA-N 350.418 1.972 70 40 FDIB COC(=O)CS[C@H]1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 217562061 RWISNSWDFQQRHB-HNNXBMFYSA-N 350.440 1.695 70 40 FDIB COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)cc1 217943983 BBBTZNQEPWMSEX-OAHLLOKOSA-N 352.412 1.214 70 40 FDIB O=C(Cn1ccc2ccccc21)N1Cc2cnc(N3CCOCC3)nc2C1 217612791 CZBYEMJBBCWLGQ-UHFFFAOYSA-N 363.421 1.810 70 40 FDIB O=C(NCc1cccs1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218686838 GAZIJBAAGGSRPL-UHFFFAOYSA-N 370.442 1.151 70 40 FDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccccc3)[C@H]4C2=O)no1 217716678 YXXDMSFDKVXIHG-RGPZOAQRSA-N 351.362 1.908 70 40 FDIB Cc1cc(OC2CCN(S(=O)(=O)c3cccs3)CC2)cc(=O)n1C 217777969 GXZNECKIXAGRHL-UHFFFAOYSA-N 368.480 1.987 70 40 FDIB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCCN(C)C1 216915813 QGUPUCQGJHSXTI-ZDUSSCGKSA-N 369.487 1.662 70 40 FDIB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 217738487 QEMHKVFNMZWADB-IRXDYDNUSA-N 374.462 1.194 70 40 FDIB CO[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007291 OZLNTYJNPXKLHU-WDEREUQCSA-N 351.421 1.533 70 40 FDIB Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216853594 GENYXLATAOEIBG-UHFFFAOYSA-N 365.499 1.604 70 40 FDIB O=S(=O)(Cl)c1ccc(Cn2cc(S(=O)(=O)Cl)cn2)cc1 223811379 FRWBSGFAEFSXKI-UHFFFAOYSA-N 355.224 1.786 70 40 FDIB CN(C)c1ncc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 97977118 CEPPCUTWXKRNKY-UHFFFAOYSA-N 360.392 1.002 70 40 FDIB Cc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 216942708 ACJQETPCNRDIBM-UHFFFAOYSA-N 365.499 1.604 70 40 FDIB O=C(c1cc(-c2ccco2)[nH]n1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217733558 UDNJIJXVDHVRAP-STQMWFEESA-N 366.377 1.445 70 40 FDIB C[C@H](Oc1ccccc1)C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217721633 HTNDDOLHEQGGHW-RRQGHBQHSA-N 354.406 1.616 70 40 FDIB Cc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216853743 QSKGGDIEZVYBSC-UHFFFAOYSA-N 365.499 1.557 70 40 FDIB CCN(c1ccc(OCC(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O 216843255 DXMFXGQBFLPEKI-UHFFFAOYSA-N 369.487 1.062 70 40 FDIB Cc1cccc2nc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)n12 217565456 STGIABNFCMGRCU-JKSUJKDBSA-N 362.433 1.784 70 40 FDIB O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccccc1OC(F)(F)F 218445703 WWZKDJPHCVSQEN-LLVKDONJSA-N 356.300 1.538 70 40 FDIB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O 217877637 MSYVTVAXYXURHA-SWLSCSKDSA-N 374.368 1.360 70 40 FDIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nnnn2-c2ccc(F)cc2)C1 217567506 MXGKWXINMZWZLV-UONOGXRCSA-N 366.400 1.582 70 40 FDIB Cc1ccccc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216934018 ZIUAKRHBVHOBMV-UHFFFAOYSA-N 367.515 1.609 70 40 FDIB COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216783102 MSELUHFRYFDDJZ-UHFFFAOYSA-N 369.487 1.160 70 40 FDIB CCOc1cccc(Cn2cc([C@H]3SCC(=O)N3CCOC)nn2)c1 216689169 CZJBLRXBURDWRE-QGZVFWFLSA-N 362.455 1.946 70 40 FDIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cc(=O)n3ccsc3n2)C1 217560947 XIGIBFSEBMFGPF-QWHCGFSZSA-N 354.435 1.537 70 40 FDIB O=C(c1cnc2ccccc2n1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217722755 OUSVEQBIOGFUFT-ZIAGYGMSSA-N 362.389 1.405 70 40 FDIB O=C(COc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217722484 MGIBUYODHRLXBR-HZPDHXFCSA-N 358.369 1.367 70 40 FDIB Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1NC(=O)CN1CCOCC1 110167172 VLAYPHXXPNYZEK-UHFFFAOYSA-N 360.863 1.810 70 40 FDIB O=C(On1nnc2ccccc21)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 102994694 GSJPSQHWLFHQHE-UHFFFAOYSA-N 369.337 1.445 70 40 FDIB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2cccn2C)cc1 217937304 VGLHQZQMDRHFTD-INIZCTEOSA-N 365.455 1.129 70 40 FDIB CCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216862818 JYDYIGDSMSRCBG-UHFFFAOYSA-N 353.488 1.461 70 40 FDIB CSCC[C@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1nnc2ccccn12 218296609 ISBSNXCMSPGCII-NEPJUHHUSA-N 362.455 1.981 70 40 FDIB Cc1cn2nc(C(=O)NCCN3CCCc4ccccc43)cc2c(=O)[nH]1 217474308 ZVXSONOTHOXOTI-UHFFFAOYSA-N 351.410 1.514 70 40 FDIB Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)Nc1nc[nH]n1 218285936 PHSWVNQNHRJWSW-UHFFFAOYSA-N 355.333 1.313 70 40 FDIB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(c2ccccc2)CC1 217969670 GSFYQWJTTNPVMA-CALCHBBNSA-N 354.458 1.828 70 40 FDIB CCN(c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1)S(C)(=O)=O 218779515 FAEKIUYGNTYYCS-UHFFFAOYSA-N 368.455 1.498 70 40 FDIB C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ncc(C(C)(C)C)s1 160396740 TUFWDVMZDBVWSN-QWRGUYRKSA-N 360.501 1.898 70 40 FDIB O=S(=O)(Cl)c1cnn(CC(F)(F)F)c1I 408717531 GCJIOGVCRIDGER-UHFFFAOYSA-N 374.509 1.978 70 40 FDIB Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)On1nnc2ccccc21 144063367 UMSGGDSZQVCEDJ-UHFFFAOYSA-N 358.358 1.781 70 40 FDIB Cc1noc(-c2c(NC(=O)c3ccc(=O)[nH]n3)sc3c2CCOC3)n1 217963046 OIZQHZBQPWGMKN-UHFFFAOYSA-N 359.367 1.515 70 40 FDIB CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216860382 CFQRXLPOXOYVRS-UHFFFAOYSA-N 353.488 1.413 70 40 FDIB Cn1cc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cn1 217515486 FAPFKULYVQMYKH-OAHLLOKOSA-N 351.453 1.821 70 40 FDIB CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2cccn2C)cc1 217937251 VGLHQZQMDRHFTD-MRXNPFEDSA-N 365.455 1.129 70 40 FDIB CCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC 216842100 QFGAJPCBCDOCAP-UHFFFAOYSA-N 369.487 1.208 70 40 FDIB O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 217789709 GXZMPJDZESDQBQ-JTQLQIEISA-N 360.844 1.798 70 40 FDIB O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCCO2 217566597 LOOJOGSCKXITCU-GOEBONIOSA-N 366.417 1.922 70 40 FDIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 216810693 BRLCAAOOUHCRBA-UHFFFAOYSA-N 373.906 1.561 70 40 FDIB O=C(CCS(=O)(=O)c1ccccc1)NCC[C@@H](O)C1CCOCC1 217920279 BHERXNYWNUNMMW-MRXNPFEDSA-N 355.456 1.144 70 40 FDIB O=S(=O)(Cl)c1cn(CC(F)F)nc1I 408717653 MSIJPCINRPVXIZ-UHFFFAOYSA-N 356.519 1.680 70 40 FDIB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(C)C1 216915782 QGUPUCQGJHSXTI-CYBMUJFWSA-N 369.487 1.662 70 40 FDIB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(C)CC1 216923238 MSVBNIXZVTURRD-UHFFFAOYSA-N 369.487 1.662 70 40 FDIB O=C(Cn1ccc2ccccc21)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217730714 OANCYRTZNFAPPU-CALCHBBNSA-N 363.417 1.803 70 40 FDIB